Program PWSCF v.5.1.1 starts on 31May2015 at 23:18:57 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: ./Al2O3.save/ 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 32 19 5 1292 558 91 Max 33 20 6 1300 580 98 Sum 1573 913 277 62263 27467 4561 bravais-lattice index = 14 lattice parameter (alat) = 11.4788 a.u. unit-cell volume = 632.2210 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.478826 celldm(2)= 1.000000 celldm(3)= 0.925369 celldm(4)= 0.231425 celldm(5)= 0.231425 celldm(6)= 0.885248 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.885248 0.465119 0.000000 ) a(3) = ( 0.214153 0.052835 0.898696 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.903275 -0.126399 ) b(2) = ( 0.000000 2.149990 -0.126399 ) b(3) = ( 0.000000 0.000000 1.112723 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: d18dd1d035d87b93e5ebab176be81bd5 Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Al 3.00 26.98150 Al( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 428 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 2) = ( 0.0178571 0.0044056 -0.0045142), wk = 0.0023364 k( 3) = ( 0.0357143 0.0088112 -0.0090285), wk = 0.0023364 k( 4) = ( 0.0535714 0.0132169 -0.0135427), wk = 0.0023364 k( 5) = ( 0.0714286 0.0176225 -0.0180570), wk = 0.0023364 k( 6) = ( 0.0892857 0.0220281 -0.0225712), wk = 0.0023364 k( 7) = ( 0.1071429 0.0264337 -0.0270855), wk = 0.0023364 k( 8) = ( 0.1250000 0.0308393 -0.0315997), wk = 0.0023364 k( 9) = ( 0.1428571 0.0352450 -0.0361140), wk = 0.0023364 k( 10) = ( 0.1607143 0.0396506 -0.0406282), wk = 0.0023364 k( 11) = ( 0.1785714 0.0440562 -0.0451425), wk = 0.0023364 k( 12) = ( 0.1964286 0.0484618 -0.0496567), wk = 0.0023364 k( 13) = ( 0.2142857 0.0528674 -0.0541710), wk = 0.0023364 k( 14) = ( 0.2321429 0.0572731 -0.0586852), wk = 0.0023364 k( 15) = ( 0.2500000 0.0616787 -0.0631995), wk = 0.0023364 k( 16) = ( 0.2678571 0.0660843 -0.0677137), wk = 0.0023364 k( 17) = ( 0.2857143 0.0704899 -0.0722280), wk = 0.0023364 k( 18) = ( 0.3035714 0.0748955 -0.0767422), wk = 0.0023364 k( 19) = ( 0.3214286 0.0793012 -0.0812565), wk = 0.0023364 k( 20) = ( 0.3392857 0.0837068 -0.0857707), wk = 0.0023364 k( 21) = ( 0.3571429 0.0881124 -0.0902850), wk = 0.0023364 k( 22) = ( 0.3750000 0.0925180 -0.0947992), wk = 0.0023364 k( 23) = ( 0.3928571 0.0969236 -0.0993134), wk = 0.0023364 k( 24) = ( 0.4107143 0.1013293 -0.1038277), wk = 0.0023364 k( 25) = ( 0.4285714 0.1057349 -0.1083419), wk = 0.0023364 k( 26) = ( 0.4464286 0.1101405 -0.1128562), wk = 0.0023364 k( 27) = ( 0.4642857 0.1145461 -0.1173704), wk = 0.0023364 k( 28) = ( 0.4821429 0.1189517 -0.1218847), wk = 0.0023364 k( 29) = ( 0.5000000 0.1233574 -0.1263989), wk = 0.0023364 k( 30) = ( 0.5000000 0.1233574 -0.1263989), wk = 0.0023364 k( 31) = ( 0.5044547 0.1244564 -0.1077049), wk = 0.0023364 k( 32) = ( 0.5089093 0.1255554 -0.0890109), wk = 0.0023364 k( 33) = ( 0.5133640 0.1266544 -0.0703168), wk = 0.0023364 k( 34) = ( 0.5178187 0.1277535 -0.0516228), wk = 0.0023364 k( 35) = ( 0.5222733 0.1288525 -0.0329288), wk = 0.0023364 k( 36) = ( 0.5267280 0.1299515 -0.0142347), wk = 0.0023364 k( 37) = ( 0.5311826 0.1310506 0.0044593), wk = 0.0023364 k( 38) = ( 0.5356373 0.1321496 0.0231533), wk = 0.0023364 k( 39) = ( 0.5400920 0.1332486 0.0418473), wk = 0.0023364 k( 40) = ( 0.5445466 0.1343477 0.0605414), wk = 0.0023364 k( 41) = ( 0.5490013 0.1354467 0.0792354), wk = 0.0023364 k( 42) = ( 0.5534560 0.1365457 0.0979294), wk = 0.0023364 k( 43) = ( 0.5579106 0.1376448 0.1166235), wk = 0.0023364 k( 44) = ( 0.5623653 0.1387438 0.1353175), wk = 0.0023364 k( 45) = ( 0.5668200 0.1398428 0.1540115), wk = 0.0023364 k( 46) = ( 0.5712746 0.1409419 0.1727056), wk = 0.0023364 k( 47) = ( 0.5757293 0.1420409 0.1913996), wk = 0.0023364 k( 48) = ( 0.5801840 0.1431399 0.2100936), wk = 0.0023364 k( 49) = ( 0.5846386 0.1442389 0.2287877), wk = 0.0023364 k( 50) = ( 0.5890933 0.1453380 0.2474817), wk = 0.0023364 k( 51) = ( 0.5935479 0.1464370 0.2661757), wk = 0.0023364 k( 52) = ( 0.5980026 0.1475360 0.2848697), wk = 0.0023364 k( 53) = ( 0.6024573 0.1486351 0.3035638), wk = 0.0023364 k( 54) = ( 0.6024573 0.1486351 0.3035638), wk = 0.0023364 k( 55) = ( 0.5910731 0.1458264 0.3176081), wk = 0.0023364 k( 56) = ( 0.5796890 0.1430178 0.3316524), wk = 0.0023364 k( 57) = ( 0.5683048 0.1402092 0.3456967), wk = 0.0023364 k( 58) = ( 0.5569207 0.1374005 0.3597411), wk = 0.0023364 k( 59) = ( 0.5455366 0.1345919 0.3737854), wk = 0.0023364 k( 60) = ( 0.5341524 0.1317833 0.3878297), wk = 0.0023364 k( 61) = ( 0.5227683 0.1289746 0.4018741), wk = 0.0023364 k( 62) = ( 0.5113841 0.1261660 0.4159184), wk = 0.0023364 k( 63) = ( 0.5000000 0.1233574 0.4299627), wk = 0.0023364 k( 64) = ( 0.5000000 0.1233574 0.4299627), wk = 0.0023364 k( 65) = ( 0.5045648 0.1048549 0.4299627), wk = 0.0023364 k( 66) = ( 0.5091297 0.0863524 0.4299627), wk = 0.0023364 k( 67) = ( 0.5136945 0.0678500 0.4299627), wk = 0.0023364 k( 68) = ( 0.5182593 0.0493475 0.4299627), wk = 0.0023364 k( 69) = ( 0.5228242 0.0308450 0.4299627), wk = 0.0023364 k( 70) = ( 0.5273890 0.0123426 0.4299627), wk = 0.0023364 k( 71) = ( 0.5319538 -0.0061599 0.4299627), wk = 0.0023364 k( 72) = ( 0.5365186 -0.0246624 0.4299627), wk = 0.0023364 k( 73) = ( 0.5410835 -0.0431649 0.4299627), wk = 0.0023364 k( 74) = ( 0.5456483 -0.0616673 0.4299627), wk = 0.0023364 k( 75) = ( 0.5502131 -0.0801698 0.4299627), wk = 0.0023364 k( 76) = ( 0.5547780 -0.0986723 0.4299627), wk = 0.0023364 k( 77) = ( 0.5593428 -0.1171747 0.4299627), wk = 0.0023364 k( 78) = ( 0.5639076 -0.1356772 0.4299627), wk = 0.0023364 k( 79) = ( 0.5684725 -0.1541796 0.4299627), wk = 0.0023364 k( 80) = ( 0.5730373 -0.1726821 0.4299627), wk = 0.0023364 k( 81) = ( 0.5776021 -0.1911846 0.4299627), wk = 0.0023364 k( 82) = ( 0.5821669 -0.2096870 0.4299627), wk = 0.0023364 k( 83) = ( 0.5867318 -0.2281895 0.4299627), wk = 0.0023364 k( 84) = ( 0.5912966 -0.2466920 0.4299627), wk = 0.0023364 k( 85) = ( 0.5958614 -0.2651944 0.4299627), wk = 0.0023364 k( 86) = ( 0.6004263 -0.2836969 0.4299627), wk = 0.0023364 k( 87) = ( 0.6049911 -0.3021994 0.4299627), wk = 0.0023364 k( 88) = ( 0.6095559 -0.3207018 0.4299627), wk = 0.0023364 k( 89) = ( 0.6141208 -0.3392043 0.4299627), wk = 0.0023364 k( 90) = ( 0.6186856 -0.3577068 0.4299627), wk = 0.0023364 k( 91) = ( 0.6232504 -0.3762093 0.4299627), wk = 0.0023364 k( 92) = ( 0.6278153 -0.3947117 0.4299627), wk = 0.0023364 k( 93) = ( 0.6323801 -0.4132142 0.4299627), wk = 0.0023364 k( 94) = ( 0.6369449 -0.4317166 0.4299627), wk = 0.0023364 k( 95) = ( 0.6415097 -0.4502191 0.4299627), wk = 0.0023364 k( 96) = ( 0.6460746 -0.4687216 0.4299627), wk = 0.0023364 k( 97) = ( 0.6506394 -0.4872240 0.4299627), wk = 0.0023364 k( 98) = ( 0.6552042 -0.5057265 0.4299627), wk = 0.0023364 k( 99) = ( 0.6597691 -0.5242290 0.4299627), wk = 0.0023364 k( 100) = ( 0.6643339 -0.5427314 0.4299627), wk = 0.0023364 k( 101) = ( 0.6688987 -0.5612339 0.4299627), wk = 0.0023364 k( 102) = ( 0.6734636 -0.5797364 0.4299627), wk = 0.0023364 k( 103) = ( 0.6780284 -0.5982388 0.4299627), wk = 0.0023364 k( 104) = ( 0.6825932 -0.6167413 0.4299627), wk = 0.0023364 k( 105) = ( 0.6871581 -0.6352438 0.4299627), wk = 0.0023364 k( 106) = ( 0.6917229 -0.6537462 0.4299627), wk = 0.0023364 k( 107) = ( 0.6962877 -0.6722487 0.4299627), wk = 0.0023364 k( 108) = ( 0.7008526 -0.6907512 0.4299627), wk = 0.0023364 k( 109) = ( 0.7054174 -0.7092536 0.4299627), wk = 0.0023364 k( 110) = ( 0.7099822 -0.7277561 0.4299627), wk = 0.0023364 k( 111) = ( 0.7145470 -0.7462586 0.4299627), wk = 0.0023364 k( 112) = ( 0.7191119 -0.7647610 0.4299627), wk = 0.0023364 k( 113) = ( 0.7236767 -0.7832635 0.4299627), wk = 0.0023364 k( 114) = ( 0.7282415 -0.8017660 0.4299627), wk = 0.0023364 k( 115) = ( 0.7328064 -0.8202684 0.4299627), wk = 0.0023364 k( 116) = ( 0.7373712 -0.8387709 0.4299627), wk = 0.0023364 k( 117) = ( 0.7419360 -0.8572734 0.4299627), wk = 0.0023364 k( 118) = ( 0.2580640 -1.0460016 0.5563616), wk = 0.0023364 k( 119) = ( 0.2534557 -1.0273230 0.5563616), wk = 0.0023364 k( 120) = ( 0.2488474 -1.0086444 0.5563616), wk = 0.0023364 k( 121) = ( 0.2442391 -0.9899658 0.5563616), wk = 0.0023364 k( 122) = ( 0.2396308 -0.9712872 0.5563616), wk = 0.0023364 k( 123) = ( 0.2350225 -0.9526086 0.5563616), wk = 0.0023364 k( 124) = ( 0.2304143 -0.9339300 0.5563616), wk = 0.0023364 k( 125) = ( 0.2258060 -0.9152514 0.5563616), wk = 0.0023364 k( 126) = ( 0.2211977 -0.8965728 0.5563616), wk = 0.0023364 k( 127) = ( 0.2165894 -0.8778942 0.5563616), wk = 0.0023364 k( 128) = ( 0.2119811 -0.8592156 0.5563616), wk = 0.0023364 k( 129) = ( 0.2073728 -0.8405370 0.5563616), wk = 0.0023364 k( 130) = ( 0.2027645 -0.8218584 0.5563616), wk = 0.0023364 k( 131) = ( 0.1981563 -0.8031798 0.5563616), wk = 0.0023364 k( 132) = ( 0.1935480 -0.7845012 0.5563616), wk = 0.0023364 k( 133) = ( 0.1889397 -0.7658226 0.5563616), wk = 0.0023364 k( 134) = ( 0.1843314 -0.7471440 0.5563616), wk = 0.0023364 k( 135) = ( 0.1797231 -0.7284654 0.5563616), wk = 0.0023364 k( 136) = ( 0.1751148 -0.7097868 0.5563616), wk = 0.0023364 k( 137) = ( 0.1705066 -0.6911082 0.5563616), wk = 0.0023364 k( 138) = ( 0.1658983 -0.6724296 0.5563616), wk = 0.0023364 k( 139) = ( 0.1612900 -0.6537510 0.5563616), wk = 0.0023364 k( 140) = ( 0.1566817 -0.6350724 0.5563616), wk = 0.0023364 k( 141) = ( 0.1520734 -0.6163938 0.5563616), wk = 0.0023364 k( 142) = ( 0.1474651 -0.5977152 0.5563616), wk = 0.0023364 k( 143) = ( 0.1428568 -0.5790366 0.5563616), wk = 0.0023364 k( 144) = ( 0.1382486 -0.5603580 0.5563616), wk = 0.0023364 k( 145) = ( 0.1336403 -0.5416794 0.5563616), wk = 0.0023364 k( 146) = ( 0.1290320 -0.5230008 0.5563616), wk = 0.0023364 k( 147) = ( 0.1244237 -0.5043222 0.5563616), wk = 0.0023364 k( 148) = ( 0.1198154 -0.4856436 0.5563616), wk = 0.0023364 k( 149) = ( 0.1152071 -0.4669650 0.5563616), wk = 0.0023364 k( 150) = ( 0.1105988 -0.4482864 0.5563616), wk = 0.0023364 k( 151) = ( 0.1059906 -0.4296078 0.5563616), wk = 0.0023364 k( 152) = ( 0.1013823 -0.4109292 0.5563616), wk = 0.0023364 k( 153) = ( 0.0967740 -0.3922506 0.5563616), wk = 0.0023364 k( 154) = ( 0.0921657 -0.3735720 0.5563616), wk = 0.0023364 k( 155) = ( 0.0875574 -0.3548934 0.5563616), wk = 0.0023364 k( 156) = ( 0.0829491 -0.3362148 0.5563616), wk = 0.0023364 k( 157) = ( 0.0783409 -0.3175362 0.5563616), wk = 0.0023364 k( 158) = ( 0.0737326 -0.2988576 0.5563616), wk = 0.0023364 k( 159) = ( 0.0691243 -0.2801790 0.5563616), wk = 0.0023364 k( 160) = ( 0.0645160 -0.2615004 0.5563616), wk = 0.0023364 k( 161) = ( 0.0599077 -0.2428218 0.5563616), wk = 0.0023364 k( 162) = ( 0.0552994 -0.2241432 0.5563616), wk = 0.0023364 k( 163) = ( 0.0506911 -0.2054646 0.5563616), wk = 0.0023364 k( 164) = ( 0.0460829 -0.1867860 0.5563616), wk = 0.0023364 k( 165) = ( 0.0414746 -0.1681074 0.5563616), wk = 0.0023364 k( 166) = ( 0.0368663 -0.1494288 0.5563616), wk = 0.0023364 k( 167) = ( 0.0322580 -0.1307502 0.5563616), wk = 0.0023364 k( 168) = ( 0.0276497 -0.1120716 0.5563616), wk = 0.0023364 k( 169) = ( 0.0230414 -0.0933930 0.5563616), wk = 0.0023364 k( 170) = ( 0.0184331 -0.0747144 0.5563616), wk = 0.0023364 k( 171) = ( 0.0138249 -0.0560358 0.5563616), wk = 0.0023364 k( 172) = ( 0.0092166 -0.0373572 0.5563616), wk = 0.0023364 k( 173) = ( 0.0046083 -0.0186786 0.5563616), wk = 0.0023364 k( 174) = ( 0.0000000 0.0000000 0.5563616), wk = 0.0023364 k( 175) = ( 0.0000000 0.0000000 0.5563616), wk = 0.0023364 k( 176) = ( 0.0180701 0.0044582 0.5563616), wk = 0.0023364 k( 177) = ( 0.0361402 0.0089163 0.5563616), wk = 0.0023364 k( 178) = ( 0.0542104 0.0133745 0.5563616), wk = 0.0023364 k( 179) = ( 0.0722805 0.0178327 0.5563616), wk = 0.0023364 k( 180) = ( 0.0903506 0.0222908 0.5563616), wk = 0.0023364 k( 181) = ( 0.1084207 0.0267490 0.5563616), wk = 0.0023364 k( 182) = ( 0.1264909 0.0312072 0.5563616), wk = 0.0023364 k( 183) = ( 0.1445610 0.0356653 0.5563616), wk = 0.0023364 k( 184) = ( 0.1626311 0.0401235 0.5563616), wk = 0.0023364 k( 185) = ( 0.1807012 0.0445817 0.5563616), wk = 0.0023364 k( 186) = ( 0.1987714 0.0490398 0.5563616), wk = 0.0023364 k( 187) = ( 0.2168415 0.0534980 0.5563616), wk = 0.0023364 k( 188) = ( 0.2349116 0.0579561 0.5563616), wk = 0.0023364 k( 189) = ( 0.2529817 0.0624143 0.5563616), wk = 0.0023364 k( 190) = ( 0.2710519 0.0668725 0.5563616), wk = 0.0023364 k( 191) = ( 0.2891220 0.0713306 0.5563616), wk = 0.0023364 k( 192) = ( 0.3071921 0.0757888 0.5563616), wk = 0.0023364 k( 193) = ( 0.3252622 0.0802470 0.5563616), wk = 0.0023364 k( 194) = ( 0.3433324 0.0847051 0.5563616), wk = 0.0023364 k( 195) = ( 0.3614025 0.0891633 0.5563616), wk = 0.0023364 k( 196) = ( 0.3794726 0.0936215 0.5563616), wk = 0.0023364 k( 197) = ( 0.3975427 0.0980796 0.5563616), wk = 0.0023364 k( 198) = ( 0.5000000 0.1233574 -0.1263989), wk = 0.0023364 k( 199) = ( 0.5045856 0.1047707 -0.1263989), wk = 0.0023364 k( 200) = ( 0.5091712 0.0861839 -0.1263989), wk = 0.0023364 k( 201) = ( 0.5137568 0.0675972 -0.1263989), wk = 0.0023364 k( 202) = ( 0.5183425 0.0490106 -0.1263989), wk = 0.0023364 k( 203) = ( 0.5229281 0.0304238 -0.1263989), wk = 0.0023364 k( 204) = ( 0.5275137 0.0118371 -0.1263989), wk = 0.0023364 k( 205) = ( 0.5320993 -0.0067496 -0.1263989), wk = 0.0023364 k( 206) = ( 0.5366849 -0.0253363 -0.1263989), wk = 0.0023364 k( 207) = ( 0.5412705 -0.0439230 -0.1263989), wk = 0.0023364 k( 208) = ( 0.5458561 -0.0625097 -0.1263989), wk = 0.0023364 k( 209) = ( 0.5504417 -0.0810964 -0.1263989), wk = 0.0023364 k( 210) = ( 0.5550274 -0.0996831 -0.1263989), wk = 0.0023364 k( 211) = ( 0.5596130 -0.1182698 -0.1263989), wk = 0.0023364 k( 212) = ( 0.5641986 -0.1368565 -0.1263989), wk = 0.0023364 k( 213) = ( 0.5687842 -0.1554432 -0.1263989), wk = 0.0023364 k( 214) = ( 0.5733698 -0.1740299 -0.1263989), wk = 0.0023364 k( 215) = ( 0.5779554 -0.1926166 -0.1263989), wk = 0.0023364 k( 216) = ( 0.5825410 -0.2112033 -0.1263989), wk = 0.0023364 k( 217) = ( 0.5871267 -0.2297901 -0.1263989), wk = 0.0023364 k( 218) = ( 0.5917123 -0.2483767 -0.1263989), wk = 0.0023364 k( 219) = ( 0.5962979 -0.2669634 -0.1263989), wk = 0.0023364 k( 220) = ( 0.6008835 -0.2855502 -0.1263989), wk = 0.0023364 k( 221) = ( 0.6054691 -0.3041369 -0.1263989), wk = 0.0023364 k( 222) = ( 0.6100547 -0.3227235 -0.1263989), wk = 0.0023364 k( 223) = ( 0.6146403 -0.3413103 -0.1263989), wk = 0.0023364 k( 224) = ( 0.6192260 -0.3598970 -0.1263989), wk = 0.0023364 k( 225) = ( 0.6238116 -0.3784837 -0.1263989), wk = 0.0023364 k( 226) = ( 0.6283972 -0.3970704 -0.1263989), wk = 0.0023364 k( 227) = ( 0.6329828 -0.4156571 -0.1263989), wk = 0.0023364 k( 228) = ( 0.6375684 -0.4342438 -0.1263989), wk = 0.0023364 k( 229) = ( 0.6421540 -0.4528305 -0.1263989), wk = 0.0023364 k( 230) = ( 0.6467396 -0.4714172 -0.1263989), wk = 0.0023364 k( 231) = ( 0.6513252 -0.4900039 -0.1263989), wk = 0.0023364 k( 232) = ( 0.6559109 -0.5085906 -0.1263989), wk = 0.0023364 k( 233) = ( 0.6604965 -0.5271773 -0.1263989), wk = 0.0023364 k( 234) = ( 0.6650821 -0.5457640 -0.1263989), wk = 0.0023364 k( 235) = ( 0.6696677 -0.5643507 -0.1263989), wk = 0.0023364 k( 236) = ( 0.6742533 -0.5829374 -0.1263989), wk = 0.0023364 k( 237) = ( 0.6788389 -0.6015242 -0.1263989), wk = 0.0023364 k( 238) = ( 0.6834245 -0.6201108 -0.1263989), wk = 0.0023364 k( 239) = ( 0.6880101 -0.6386975 -0.1263989), wk = 0.0023364 k( 240) = ( 0.6925958 -0.6572843 -0.1263989), wk = 0.0023364 k( 241) = ( 0.6971814 -0.6758710 -0.1263989), wk = 0.0023364 k( 242) = ( 0.7017670 -0.6944576 -0.1263989), wk = 0.0023364 k( 243) = ( 0.7063526 -0.7130444 -0.1263989), wk = 0.0023364 k( 244) = ( 0.7109382 -0.7316311 -0.1263989), wk = 0.0023364 k( 245) = ( 0.7155238 -0.7502178 -0.1263989), wk = 0.0023364 k( 246) = ( 0.7201095 -0.7688045 -0.1263989), wk = 0.0023364 k( 247) = ( 0.7246951 -0.7873912 -0.1263989), wk = 0.0023364 k( 248) = ( 0.7292807 -0.8059779 -0.1263989), wk = 0.0023364 k( 249) = ( 0.7338663 -0.8245646 -0.1263989), wk = 0.0023364 k( 250) = ( 0.2661337 -1.0787103 0.0000000), wk = 0.0023364 k( 251) = ( 0.2615452 -1.0601119 0.0000000), wk = 0.0023364 k( 252) = ( 0.2569567 -1.0415135 0.0000000), wk = 0.0023364 k( 253) = ( 0.2523682 -1.0229150 0.0000000), wk = 0.0023364 k( 254) = ( 0.2477797 -1.0043165 0.0000000), wk = 0.0023364 k( 255) = ( 0.2431911 -0.9857181 0.0000000), wk = 0.0023364 k( 256) = ( 0.2386026 -0.9671196 0.0000000), wk = 0.0023364 k( 257) = ( 0.2340141 -0.9485212 0.0000000), wk = 0.0023364 k( 258) = ( 0.2294256 -0.9299227 0.0000000), wk = 0.0023364 k( 259) = ( 0.2248371 -0.9113243 0.0000000), wk = 0.0023364 k( 260) = ( 0.2202486 -0.8927258 0.0000000), wk = 0.0023364 k( 261) = ( 0.2156601 -0.8741274 0.0000000), wk = 0.0023364 k( 262) = ( 0.2110716 -0.8555289 0.0000000), wk = 0.0023364 k( 263) = ( 0.2064831 -0.8369304 0.0000000), wk = 0.0023364 k( 264) = ( 0.2018945 -0.8183320 0.0000000), wk = 0.0023364 k( 265) = ( 0.1973060 -0.7997335 0.0000000), wk = 0.0023364 k( 266) = ( 0.1927175 -0.7811351 0.0000000), wk = 0.0023364 k( 267) = ( 0.1881290 -0.7625366 0.0000000), wk = 0.0023364 k( 268) = ( 0.1835405 -0.7439382 0.0000000), wk = 0.0023364 k( 269) = ( 0.1789520 -0.7253397 0.0000000), wk = 0.0023364 k( 270) = ( 0.1743635 -0.7067413 0.0000000), wk = 0.0023364 k( 271) = ( 0.1697750 -0.6881428 0.0000000), wk = 0.0023364 k( 272) = ( 0.1651864 -0.6695444 0.0000000), wk = 0.0023364 k( 273) = ( 0.1605979 -0.6509459 0.0000000), wk = 0.0023364 k( 274) = ( 0.1560094 -0.6323475 0.0000000), wk = 0.0023364 k( 275) = ( 0.1514209 -0.6137490 0.0000000), wk = 0.0023364 k( 276) = ( 0.1468324 -0.5951505 0.0000000), wk = 0.0023364 k( 277) = ( 0.1422439 -0.5765521 0.0000000), wk = 0.0023364 k( 278) = ( 0.1376554 -0.5579536 0.0000000), wk = 0.0023364 k( 279) = ( 0.1330669 -0.5393552 0.0000000), wk = 0.0023364 k( 280) = ( 0.1284783 -0.5207567 0.0000000), wk = 0.0023364 k( 281) = ( 0.1238898 -0.5021583 0.0000000), wk = 0.0023364 k( 282) = ( 0.1193013 -0.4835598 0.0000000), wk = 0.0023364 k( 283) = ( 0.1147128 -0.4649614 0.0000000), wk = 0.0023364 k( 284) = ( 0.1101243 -0.4463629 0.0000000), wk = 0.0023364 k( 285) = ( 0.1055358 -0.4277644 0.0000000), wk = 0.0023364 k( 286) = ( 0.1009473 -0.4091660 0.0000000), wk = 0.0023364 k( 287) = ( 0.0963588 -0.3905676 0.0000000), wk = 0.0023364 k( 288) = ( 0.0917702 -0.3719691 0.0000000), wk = 0.0023364 k( 289) = ( 0.0871817 -0.3533706 0.0000000), wk = 0.0023364 k( 290) = ( 0.0825932 -0.3347722 0.0000000), wk = 0.0023364 k( 291) = ( 0.0780047 -0.3161737 0.0000000), wk = 0.0023364 k( 292) = ( 0.0734162 -0.2975753 0.0000000), wk = 0.0023364 k( 293) = ( 0.0688277 -0.2789768 0.0000000), wk = 0.0023364 k( 294) = ( 0.0642392 -0.2603784 0.0000000), wk = 0.0023364 k( 295) = ( 0.0596507 -0.2417799 0.0000000), wk = 0.0023364 k( 296) = ( 0.0550621 -0.2231815 0.0000000), wk = 0.0023364 k( 297) = ( 0.0504736 -0.2045830 0.0000000), wk = 0.0023364 k( 298) = ( 0.0458851 -0.1859845 0.0000000), wk = 0.0023364 k( 299) = ( 0.0412966 -0.1673861 0.0000000), wk = 0.0023364 k( 300) = ( 0.0367081 -0.1487876 0.0000000), wk = 0.0023364 k( 301) = ( 0.0321196 -0.1301892 0.0000000), wk = 0.0023364 k( 302) = ( 0.0275311 -0.1115907 0.0000000), wk = 0.0023364 k( 303) = ( 0.0229426 -0.0929923 0.0000000), wk = 0.0023364 k( 304) = ( 0.0183541 -0.0743938 0.0000000), wk = 0.0023364 k( 305) = ( 0.0137655 -0.0557954 0.0000000), wk = 0.0023364 k( 306) = ( 0.0091770 -0.0371969 0.0000000), wk = 0.0023364 k( 307) = ( 0.0045885 -0.0185984 0.0000000), wk = 0.0023364 k( 308) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 309) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 310) = ( 0.0089286 -0.0169935 -0.0011286), wk = 0.0023364 k( 311) = ( 0.0178571 -0.0339870 -0.0022571), wk = 0.0023364 k( 312) = ( 0.0267857 -0.0509806 -0.0033857), wk = 0.0023364 k( 313) = ( 0.0357143 -0.0679741 -0.0045142), wk = 0.0023364 k( 314) = ( 0.0446429 -0.0849676 -0.0056428), wk = 0.0023364 k( 315) = ( 0.0535714 -0.1019612 -0.0067714), wk = 0.0023364 k( 316) = ( 0.0625000 -0.1189547 -0.0078999), wk = 0.0023364 k( 317) = ( 0.0714286 -0.1359482 -0.0090285), wk = 0.0023364 k( 318) = ( 0.0803571 -0.1529417 -0.0101571), wk = 0.0023364 k( 319) = ( 0.0892857 -0.1699353 -0.0112856), wk = 0.0023364 k( 320) = ( 0.0982143 -0.1869288 -0.0124142), wk = 0.0023364 k( 321) = ( 0.1071429 -0.2039223 -0.0135427), wk = 0.0023364 k( 322) = ( 0.1160714 -0.2209158 -0.0146713), wk = 0.0023364 k( 323) = ( 0.1250000 -0.2379094 -0.0157999), wk = 0.0023364 k( 324) = ( 0.1339286 -0.2549029 -0.0169284), wk = 0.0023364 k( 325) = ( 0.1428571 -0.2718964 -0.0180570), wk = 0.0023364 k( 326) = ( 0.1517857 -0.2888899 -0.0191856), wk = 0.0023364 k( 327) = ( 0.1607143 -0.3058835 -0.0203141), wk = 0.0023364 k( 328) = ( 0.1696429 -0.3228770 -0.0214427), wk = 0.0023364 k( 329) = ( 0.1785714 -0.3398705 -0.0225712), wk = 0.0023364 k( 330) = ( 0.1875000 -0.3568641 -0.0236998), wk = 0.0023364 k( 331) = ( 0.1964286 -0.3738576 -0.0248284), wk = 0.0023364 k( 332) = ( 0.2053571 -0.3908511 -0.0259569), wk = 0.0023364 k( 333) = ( 0.2142857 -0.4078446 -0.0270855), wk = 0.0023364 k( 334) = ( 0.2232143 -0.4248382 -0.0282140), wk = 0.0023364 k( 335) = ( 0.2321429 -0.4418317 -0.0293426), wk = 0.0023364 k( 336) = ( 0.2410714 -0.4588252 -0.0304712), wk = 0.0023364 k( 337) = ( 0.2500000 -0.4758187 -0.0315997), wk = 0.0023364 k( 338) = ( 0.2589286 -0.4928123 -0.0327283), wk = 0.0023364 k( 339) = ( 0.2678571 -0.5098058 -0.0338569), wk = 0.0023364 k( 340) = ( 0.2767857 -0.5267993 -0.0349854), wk = 0.0023364 k( 341) = ( 0.2857143 -0.5437929 -0.0361140), wk = 0.0023364 k( 342) = ( 0.2946429 -0.5607864 -0.0372425), wk = 0.0023364 k( 343) = ( 0.3035714 -0.5777799 -0.0383711), wk = 0.0023364 k( 344) = ( 0.3125000 -0.5947734 -0.0394997), wk = 0.0023364 k( 345) = ( 0.3214286 -0.6117669 -0.0406282), wk = 0.0023364 k( 346) = ( 0.3303571 -0.6287605 -0.0417568), wk = 0.0023364 k( 347) = ( 0.3392857 -0.6457540 -0.0428854), wk = 0.0023364 k( 348) = ( 0.3482143 -0.6627475 -0.0440139), wk = 0.0023364 k( 349) = ( 0.3571429 -0.6797411 -0.0451425), wk = 0.0023364 k( 350) = ( 0.3660714 -0.6967346 -0.0462710), wk = 0.0023364 k( 351) = ( 0.3750000 -0.7137281 -0.0473996), wk = 0.0023364 k( 352) = ( 0.3839286 -0.7307216 -0.0485282), wk = 0.0023364 k( 353) = ( 0.3928571 -0.7477152 -0.0496567), wk = 0.0023364 k( 354) = ( 0.4017857 -0.7647087 -0.0507853), wk = 0.0023364 k( 355) = ( 0.4107143 -0.7817022 -0.0519138), wk = 0.0023364 k( 356) = ( 0.4196429 -0.7986957 -0.0530424), wk = 0.0023364 k( 357) = ( 0.4285714 -0.8156893 -0.0541710), wk = 0.0023364 k( 358) = ( 0.4375000 -0.8326828 -0.0552995), wk = 0.0023364 k( 359) = ( 0.4464286 -0.8496763 -0.0564281), wk = 0.0023364 k( 360) = ( 0.4553571 -0.8666698 -0.0575567), wk = 0.0023364 k( 361) = ( 0.4642857 -0.8836634 -0.0586852), wk = 0.0023364 k( 362) = ( 0.4732143 -0.9006569 -0.0598138), wk = 0.0023364 k( 363) = ( 0.4821429 -0.9176504 -0.0609423), wk = 0.0023364 k( 364) = ( 0.4910714 -0.9346440 -0.0620709), wk = 0.0023364 k( 365) = ( 0.5000000 -0.9516375 -0.0631995), wk = 0.0023364 k( 366) = ( 0.5000000 -0.9516375 0.4931622), wk = 0.0023364 k( 367) = ( 0.4919355 -0.9362885 0.4852079), wk = 0.0023364 k( 368) = ( 0.4838710 -0.9209395 0.4772537), wk = 0.0023364 k( 369) = ( 0.4758064 -0.9055905 0.4692995), wk = 0.0023364 k( 370) = ( 0.4677419 -0.8902415 0.4613453), wk = 0.0023364 k( 371) = ( 0.4596774 -0.8748925 0.4533910), wk = 0.0023364 k( 372) = ( 0.4516129 -0.8595435 0.4454368), wk = 0.0023364 k( 373) = ( 0.4435484 -0.8441945 0.4374826), wk = 0.0023364 k( 374) = ( 0.4354839 -0.8288455 0.4295283), wk = 0.0023364 k( 375) = ( 0.4274193 -0.8134965 0.4215741), wk = 0.0023364 k( 376) = ( 0.4193548 -0.7981476 0.4136199), wk = 0.0023364 k( 377) = ( 0.4112903 -0.7827986 0.4056657), wk = 0.0023364 k( 378) = ( 0.4032258 -0.7674496 0.3977114), wk = 0.0023364 k( 379) = ( 0.3951613 -0.7521006 0.3897572), wk = 0.0023364 k( 380) = ( 0.3870968 -0.7367516 0.3818030), wk = 0.0023364 k( 381) = ( 0.3790323 -0.7214026 0.3738487), wk = 0.0023364 k( 382) = ( 0.3709677 -0.7060536 0.3658945), wk = 0.0023364 k( 383) = ( 0.3629032 -0.6907046 0.3579403), wk = 0.0023364 k( 384) = ( 0.3548387 -0.6753556 0.3499861), wk = 0.0023364 k( 385) = ( 0.3467742 -0.6600066 0.3420318), wk = 0.0023364 k( 386) = ( 0.3387097 -0.6446576 0.3340776), wk = 0.0023364 k( 387) = ( 0.3306452 -0.6293086 0.3261234), wk = 0.0023364 k( 388) = ( 0.3225807 -0.6139597 0.3181691), wk = 0.0023364 k( 389) = ( 0.3145161 -0.5986107 0.3102149), wk = 0.0023364 k( 390) = ( 0.3064516 -0.5832617 0.3022607), wk = 0.0023364 k( 391) = ( 0.2983871 -0.5679127 0.2943065), wk = 0.0023364 k( 392) = ( 0.2903226 -0.5525637 0.2863522), wk = 0.0023364 k( 393) = ( 0.2822581 -0.5372147 0.2783980), wk = 0.0023364 k( 394) = ( 0.2741936 -0.5218657 0.2704438), wk = 0.0023364 k( 395) = ( 0.2661290 -0.5065167 0.2624895), wk = 0.0023364 k( 396) = ( 0.2580645 -0.4911677 0.2545353), wk = 0.0023364 k( 397) = ( 0.2500000 -0.4758187 0.2465811), wk = 0.0023364 k( 398) = ( 0.2419355 -0.4604697 0.2386269), wk = 0.0023364 k( 399) = ( 0.2338710 -0.4451208 0.2306726), wk = 0.0023364 k( 400) = ( 0.2258064 -0.4297718 0.2227184), wk = 0.0023364 k( 401) = ( 0.2177419 -0.4144228 0.2147642), wk = 0.0023364 k( 402) = ( 0.2096774 -0.3990738 0.2068099), wk = 0.0023364 k( 403) = ( 0.2016129 -0.3837248 0.1988557), wk = 0.0023364 k( 404) = ( 0.1935484 -0.3683758 0.1909015), wk = 0.0023364 k( 405) = ( 0.1854839 -0.3530268 0.1829473), wk = 0.0023364 k( 406) = ( 0.1774194 -0.3376778 0.1749930), wk = 0.0023364 k( 407) = ( 0.1693548 -0.3223288 0.1670388), wk = 0.0023364 k( 408) = ( 0.1612903 -0.3069798 0.1590846), wk = 0.0023364 k( 409) = ( 0.1532258 -0.2916308 0.1511303), wk = 0.0023364 k( 410) = ( 0.1451613 -0.2762818 0.1431761), wk = 0.0023364 k( 411) = ( 0.1370968 -0.2609328 0.1352219), wk = 0.0023364 k( 412) = ( 0.1290323 -0.2455839 0.1272677), wk = 0.0023364 k( 413) = ( 0.1209677 -0.2302349 0.1193134), wk = 0.0023364 k( 414) = ( 0.1129032 -0.2148859 0.1113592), wk = 0.0023364 k( 415) = ( 0.1048387 -0.1995369 0.1034050), wk = 0.0023364 k( 416) = ( 0.0967742 -0.1841879 0.0954507), wk = 0.0023364 k( 417) = ( 0.0887097 -0.1688389 0.0874965), wk = 0.0023364 k( 418) = ( 0.0806452 -0.1534899 0.0795423), wk = 0.0023364 k( 419) = ( 0.0725806 -0.1381409 0.0715881), wk = 0.0023364 k( 420) = ( 0.0645161 -0.1227919 0.0636338), wk = 0.0023364 k( 421) = ( 0.0564516 -0.1074429 0.0556796), wk = 0.0023364 k( 422) = ( 0.0483871 -0.0920940 0.0477254), wk = 0.0023364 k( 423) = ( 0.0403226 -0.0767450 0.0397711), wk = 0.0023364 k( 424) = ( 0.0322581 -0.0613960 0.0318169), wk = 0.0023364 k( 425) = ( 0.0241936 -0.0460470 0.0238627), wk = 0.0023364 k( 426) = ( 0.0161290 -0.0306980 0.0159085), wk = 0.0023364 k( 427) = ( 0.0080645 -0.0153490 0.0079542), wk = 0.0023364 k( 428) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 2) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0023364 k( 3) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0023364 k( 4) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0023364 k( 5) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0023364 k( 6) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0023364 k( 7) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0023364 k( 8) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0023364 k( 9) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0023364 k( 10) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0023364 k( 11) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0023364 k( 12) = ( 0.1964286 0.1964286 0.0000000), wk = 0.0023364 k( 13) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0023364 k( 14) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0023364 k( 15) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0023364 k( 16) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0023364 k( 17) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0023364 k( 18) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0023364 k( 19) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0023364 k( 20) = ( 0.3392857 0.3392857 0.0000000), wk = 0.0023364 k( 21) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0023364 k( 22) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0023364 k( 23) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0023364 k( 24) = ( 0.4107143 0.4107143 0.0000000), wk = 0.0023364 k( 25) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0023364 k( 26) = ( 0.4464286 0.4464286 0.0000000), wk = 0.0023364 k( 27) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0023364 k( 28) = ( 0.4821429 0.4821429 0.0000000), wk = 0.0023364 k( 29) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023364 k( 30) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023364 k( 31) = ( 0.5044547 0.5044547 0.0178123), wk = 0.0023364 k( 32) = ( 0.5089093 0.5089093 0.0356246), wk = 0.0023364 k( 33) = ( 0.5133640 0.5133640 0.0534369), wk = 0.0023364 k( 34) = ( 0.5178187 0.5178187 0.0712492), wk = 0.0023364 k( 35) = ( 0.5222733 0.5222733 0.0890615), wk = 0.0023364 k( 36) = ( 0.5267280 0.5267280 0.1068738), wk = 0.0023364 k( 37) = ( 0.5311826 0.5311826 0.1246861), wk = 0.0023364 k( 38) = ( 0.5356373 0.5356373 0.1424984), wk = 0.0023364 k( 39) = ( 0.5400920 0.5400920 0.1603107), wk = 0.0023364 k( 40) = ( 0.5445466 0.5445466 0.1781230), wk = 0.0023364 k( 41) = ( 0.5490013 0.5490013 0.1959353), wk = 0.0023364 k( 42) = ( 0.5534560 0.5534560 0.2137476), wk = 0.0023364 k( 43) = ( 0.5579106 0.5579106 0.2315599), wk = 0.0023364 k( 44) = ( 0.5623653 0.5623653 0.2493722), wk = 0.0023364 k( 45) = ( 0.5668200 0.5668200 0.2671845), wk = 0.0023364 k( 46) = ( 0.5712746 0.5712746 0.2849968), wk = 0.0023364 k( 47) = ( 0.5757293 0.5757293 0.3028091), wk = 0.0023364 k( 48) = ( 0.5801840 0.5801840 0.3206214), wk = 0.0023364 k( 49) = ( 0.5846386 0.5846386 0.3384337), wk = 0.0023364 k( 50) = ( 0.5890933 0.5890933 0.3562460), wk = 0.0023364 k( 51) = ( 0.5935479 0.5935479 0.3740583), wk = 0.0023364 k( 52) = ( 0.5980026 0.5980026 0.3918706), wk = 0.0023364 k( 53) = ( 0.6024573 0.6024573 0.4096829), wk = 0.0023364 k( 54) = ( 0.6024573 0.6024573 0.4096829), wk = 0.0023364 k( 55) = ( 0.5910731 0.5910731 0.4197181), wk = 0.0023364 k( 56) = ( 0.5796890 0.5796890 0.4297534), wk = 0.0023364 k( 57) = ( 0.5683048 0.5683049 0.4397886), wk = 0.0023364 k( 58) = ( 0.5569207 0.5569207 0.4498238), wk = 0.0023364 k( 59) = ( 0.5455366 0.5455366 0.4598591), wk = 0.0023364 k( 60) = ( 0.5341524 0.5341524 0.4698943), wk = 0.0023364 k( 61) = ( 0.5227683 0.5227683 0.4799295), wk = 0.0023364 k( 62) = ( 0.5113841 0.5113841 0.4899648), wk = 0.0023364 k( 63) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023364 k( 64) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023364 k( 65) = ( 0.5045648 0.4954352 0.5000000), wk = 0.0023364 k( 66) = ( 0.5091297 0.4908703 0.5000000), wk = 0.0023364 k( 67) = ( 0.5136945 0.4863055 0.5000000), wk = 0.0023364 k( 68) = ( 0.5182593 0.4817407 0.5000000), wk = 0.0023364 k( 69) = ( 0.5228242 0.4771759 0.5000000), wk = 0.0023364 k( 70) = ( 0.5273890 0.4726110 0.5000000), wk = 0.0023364 k( 71) = ( 0.5319538 0.4680462 0.5000000), wk = 0.0023364 k( 72) = ( 0.5365186 0.4634814 0.5000000), wk = 0.0023364 k( 73) = ( 0.5410835 0.4589165 0.5000000), wk = 0.0023364 k( 74) = ( 0.5456483 0.4543517 0.5000000), wk = 0.0023364 k( 75) = ( 0.5502131 0.4497869 0.5000000), wk = 0.0023364 k( 76) = ( 0.5547780 0.4452220 0.5000000), wk = 0.0023364 k( 77) = ( 0.5593428 0.4406572 0.5000000), wk = 0.0023364 k( 78) = ( 0.5639076 0.4360924 0.5000000), wk = 0.0023364 k( 79) = ( 0.5684725 0.4315275 0.5000000), wk = 0.0023364 k( 80) = ( 0.5730373 0.4269627 0.5000000), wk = 0.0023364 k( 81) = ( 0.5776021 0.4223979 0.5000000), wk = 0.0023364 k( 82) = ( 0.5821669 0.4178331 0.5000000), wk = 0.0023364 k( 83) = ( 0.5867318 0.4132682 0.5000000), wk = 0.0023364 k( 84) = ( 0.5912966 0.4087034 0.5000000), wk = 0.0023364 k( 85) = ( 0.5958614 0.4041386 0.5000000), wk = 0.0023364 k( 86) = ( 0.6004263 0.3995737 0.5000000), wk = 0.0023364 k( 87) = ( 0.6049911 0.3950089 0.5000000), wk = 0.0023364 k( 88) = ( 0.6095559 0.3904441 0.5000000), wk = 0.0023364 k( 89) = ( 0.6141208 0.3858792 0.5000000), wk = 0.0023364 k( 90) = ( 0.6186856 0.3813144 0.5000000), wk = 0.0023364 k( 91) = ( 0.6232504 0.3767496 0.5000000), wk = 0.0023364 k( 92) = ( 0.6278153 0.3721847 0.5000000), wk = 0.0023364 k( 93) = ( 0.6323801 0.3676199 0.5000000), wk = 0.0023364 k( 94) = ( 0.6369449 0.3630551 0.5000000), wk = 0.0023364 k( 95) = ( 0.6415097 0.3584903 0.5000000), wk = 0.0023364 k( 96) = ( 0.6460746 0.3539254 0.5000000), wk = 0.0023364 k( 97) = ( 0.6506394 0.3493606 0.5000000), wk = 0.0023364 k( 98) = ( 0.6552042 0.3447958 0.5000000), wk = 0.0023364 k( 99) = ( 0.6597691 0.3402309 0.5000000), wk = 0.0023364 k( 100) = ( 0.6643339 0.3356661 0.5000000), wk = 0.0023364 k( 101) = ( 0.6688987 0.3311013 0.5000000), wk = 0.0023364 k( 102) = ( 0.6734636 0.3265364 0.5000000), wk = 0.0023364 k( 103) = ( 0.6780284 0.3219716 0.5000000), wk = 0.0023364 k( 104) = ( 0.6825932 0.3174068 0.5000000), wk = 0.0023364 k( 105) = ( 0.6871581 0.3128419 0.5000000), wk = 0.0023364 k( 106) = ( 0.6917229 0.3082771 0.5000000), wk = 0.0023364 k( 107) = ( 0.6962877 0.3037123 0.5000000), wk = 0.0023364 k( 108) = ( 0.7008526 0.2991475 0.5000000), wk = 0.0023364 k( 109) = ( 0.7054174 0.2945826 0.5000000), wk = 0.0023364 k( 110) = ( 0.7099822 0.2900178 0.5000000), wk = 0.0023364 k( 111) = ( 0.7145470 0.2854530 0.5000000), wk = 0.0023364 k( 112) = ( 0.7191119 0.2808881 0.5000000), wk = 0.0023364 k( 113) = ( 0.7236767 0.2763233 0.5000000), wk = 0.0023364 k( 114) = ( 0.7282415 0.2717585 0.5000000), wk = 0.0023364 k( 115) = ( 0.7328064 0.2671936 0.5000000), wk = 0.0023364 k( 116) = ( 0.7373712 0.2626288 0.5000000), wk = 0.0023364 k( 117) = ( 0.7419360 0.2580640 0.5000000), wk = 0.0023364 k( 118) = ( 0.2580640 -0.2580640 0.5000000), wk = 0.0023364 k( 119) = ( 0.2534557 -0.2534557 0.5000000), wk = 0.0023364 k( 120) = ( 0.2488474 -0.2488474 0.5000000), wk = 0.0023364 k( 121) = ( 0.2442391 -0.2442391 0.5000000), wk = 0.0023364 k( 122) = ( 0.2396308 -0.2396308 0.5000000), wk = 0.0023364 k( 123) = ( 0.2350225 -0.2350225 0.5000000), wk = 0.0023364 k( 124) = ( 0.2304143 -0.2304143 0.5000000), wk = 0.0023364 k( 125) = ( 0.2258060 -0.2258060 0.5000000), wk = 0.0023364 k( 126) = ( 0.2211977 -0.2211977 0.5000000), wk = 0.0023364 k( 127) = ( 0.2165894 -0.2165894 0.5000000), wk = 0.0023364 k( 128) = ( 0.2119811 -0.2119811 0.5000000), wk = 0.0023364 k( 129) = ( 0.2073728 -0.2073728 0.5000000), wk = 0.0023364 k( 130) = ( 0.2027645 -0.2027645 0.5000000), wk = 0.0023364 k( 131) = ( 0.1981563 -0.1981563 0.5000000), wk = 0.0023364 k( 132) = ( 0.1935480 -0.1935480 0.5000000), wk = 0.0023364 k( 133) = ( 0.1889397 -0.1889397 0.5000000), wk = 0.0023364 k( 134) = ( 0.1843314 -0.1843314 0.5000000), wk = 0.0023364 k( 135) = ( 0.1797231 -0.1797231 0.5000000), wk = 0.0023364 k( 136) = ( 0.1751148 -0.1751148 0.5000000), wk = 0.0023364 k( 137) = ( 0.1705066 -0.1705066 0.5000000), wk = 0.0023364 k( 138) = ( 0.1658983 -0.1658983 0.5000000), wk = 0.0023364 k( 139) = ( 0.1612900 -0.1612900 0.5000000), wk = 0.0023364 k( 140) = ( 0.1566817 -0.1566817 0.5000000), wk = 0.0023364 k( 141) = ( 0.1520734 -0.1520734 0.5000000), wk = 0.0023364 k( 142) = ( 0.1474651 -0.1474651 0.5000000), wk = 0.0023364 k( 143) = ( 0.1428568 -0.1428568 0.5000000), wk = 0.0023364 k( 144) = ( 0.1382486 -0.1382486 0.5000000), wk = 0.0023364 k( 145) = ( 0.1336403 -0.1336403 0.5000000), wk = 0.0023364 k( 146) = ( 0.1290320 -0.1290320 0.5000000), wk = 0.0023364 k( 147) = ( 0.1244237 -0.1244237 0.5000000), wk = 0.0023364 k( 148) = ( 0.1198154 -0.1198154 0.5000000), wk = 0.0023364 k( 149) = ( 0.1152071 -0.1152071 0.5000000), wk = 0.0023364 k( 150) = ( 0.1105988 -0.1105988 0.5000000), wk = 0.0023364 k( 151) = ( 0.1059906 -0.1059906 0.5000000), wk = 0.0023364 k( 152) = ( 0.1013823 -0.1013823 0.5000000), wk = 0.0023364 k( 153) = ( 0.0967740 -0.0967740 0.5000000), wk = 0.0023364 k( 154) = ( 0.0921657 -0.0921657 0.5000000), wk = 0.0023364 k( 155) = ( 0.0875574 -0.0875574 0.5000000), wk = 0.0023364 k( 156) = ( 0.0829491 -0.0829491 0.5000000), wk = 0.0023364 k( 157) = ( 0.0783409 -0.0783408 0.5000000), wk = 0.0023364 k( 158) = ( 0.0737326 -0.0737326 0.5000000), wk = 0.0023364 k( 159) = ( 0.0691243 -0.0691243 0.5000000), wk = 0.0023364 k( 160) = ( 0.0645160 -0.0645160 0.5000000), wk = 0.0023364 k( 161) = ( 0.0599077 -0.0599077 0.5000000), wk = 0.0023364 k( 162) = ( 0.0552994 -0.0552994 0.5000000), wk = 0.0023364 k( 163) = ( 0.0506911 -0.0506911 0.5000000), wk = 0.0023364 k( 164) = ( 0.0460829 -0.0460828 0.5000000), wk = 0.0023364 k( 165) = ( 0.0414746 -0.0414746 0.5000000), wk = 0.0023364 k( 166) = ( 0.0368663 -0.0368663 0.5000000), wk = 0.0023364 k( 167) = ( 0.0322580 -0.0322580 0.5000000), wk = 0.0023364 k( 168) = ( 0.0276497 -0.0276497 0.5000000), wk = 0.0023364 k( 169) = ( 0.0230414 -0.0230414 0.5000000), wk = 0.0023364 k( 170) = ( 0.0184331 -0.0184331 0.5000000), wk = 0.0023364 k( 171) = ( 0.0138249 -0.0138249 0.5000000), wk = 0.0023364 k( 172) = ( 0.0092166 -0.0092166 0.5000000), wk = 0.0023364 k( 173) = ( 0.0046083 -0.0046083 0.5000000), wk = 0.0023364 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023364 k( 175) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023364 k( 176) = ( 0.0180701 0.0180701 0.5041053), wk = 0.0023364 k( 177) = ( 0.0361402 0.0361402 0.5082107), wk = 0.0023364 k( 178) = ( 0.0542104 0.0542104 0.5123160), wk = 0.0023364 k( 179) = ( 0.0722805 0.0722805 0.5164213), wk = 0.0023364 k( 180) = ( 0.0903506 0.0903506 0.5205266), wk = 0.0023364 k( 181) = ( 0.1084207 0.1084207 0.5246319), wk = 0.0023364 k( 182) = ( 0.1264909 0.1264909 0.5287373), wk = 0.0023364 k( 183) = ( 0.1445610 0.1445610 0.5328426), wk = 0.0023364 k( 184) = ( 0.1626311 0.1626311 0.5369479), wk = 0.0023364 k( 185) = ( 0.1807012 0.1807012 0.5410532), wk = 0.0023364 k( 186) = ( 0.1987714 0.1987714 0.5451586), wk = 0.0023364 k( 187) = ( 0.2168415 0.2168415 0.5492639), wk = 0.0023364 k( 188) = ( 0.2349116 0.2349116 0.5533692), wk = 0.0023364 k( 189) = ( 0.2529817 0.2529817 0.5574745), wk = 0.0023364 k( 190) = ( 0.2710519 0.2710519 0.5615798), wk = 0.0023364 k( 191) = ( 0.2891220 0.2891220 0.5656852), wk = 0.0023364 k( 192) = ( 0.3071921 0.3071921 0.5697905), wk = 0.0023364 k( 193) = ( 0.3252622 0.3252622 0.5738958), wk = 0.0023364 k( 194) = ( 0.3433324 0.3433324 0.5780011), wk = 0.0023364 k( 195) = ( 0.3614025 0.3614025 0.5821065), wk = 0.0023364 k( 196) = ( 0.3794726 0.3794726 0.5862118), wk = 0.0023364 k( 197) = ( 0.3975427 0.3975427 0.5903171), wk = 0.0023364 k( 198) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023364 k( 199) = ( 0.5045856 0.4954144 -0.0000000), wk = 0.0023364 k( 200) = ( 0.5091712 0.4908288 0.0000000), wk = 0.0023364 k( 201) = ( 0.5137568 0.4862432 0.0000000), wk = 0.0023364 k( 202) = ( 0.5183425 0.4816575 0.0000000), wk = 0.0023364 k( 203) = ( 0.5229281 0.4770719 0.0000000), wk = 0.0023364 k( 204) = ( 0.5275137 0.4724863 0.0000000), wk = 0.0023364 k( 205) = ( 0.5320993 0.4679007 0.0000000), wk = 0.0023364 k( 206) = ( 0.5366849 0.4633151 0.0000000), wk = 0.0023364 k( 207) = ( 0.5412705 0.4587295 -0.0000000), wk = 0.0023364 k( 208) = ( 0.5458561 0.4541439 0.0000000), wk = 0.0023364 k( 209) = ( 0.5504417 0.4495583 0.0000000), wk = 0.0023364 k( 210) = ( 0.5550274 0.4449726 0.0000000), wk = 0.0023364 k( 211) = ( 0.5596130 0.4403870 -0.0000000), wk = 0.0023364 k( 212) = ( 0.5641986 0.4358014 -0.0000000), wk = 0.0023364 k( 213) = ( 0.5687842 0.4312158 0.0000000), wk = 0.0023364 k( 214) = ( 0.5733698 0.4266302 -0.0000000), wk = 0.0023364 k( 215) = ( 0.5779554 0.4220446 0.0000000), wk = 0.0023364 k( 216) = ( 0.5825410 0.4174590 0.0000000), wk = 0.0023364 k( 217) = ( 0.5871267 0.4128733 0.0000000), wk = 0.0023364 k( 218) = ( 0.5917123 0.4082877 0.0000000), wk = 0.0023364 k( 219) = ( 0.5962979 0.4037021 0.0000000), wk = 0.0023364 k( 220) = ( 0.6008835 0.3991165 0.0000000), wk = 0.0023364 k( 221) = ( 0.6054691 0.3945309 0.0000000), wk = 0.0023364 k( 222) = ( 0.6100547 0.3899453 0.0000000), wk = 0.0023364 k( 223) = ( 0.6146403 0.3853597 0.0000000), wk = 0.0023364 k( 224) = ( 0.6192260 0.3807740 0.0000000), wk = 0.0023364 k( 225) = ( 0.6238116 0.3761884 0.0000000), wk = 0.0023364 k( 226) = ( 0.6283972 0.3716028 0.0000000), wk = 0.0023364 k( 227) = ( 0.6329828 0.3670172 0.0000000), wk = 0.0023364 k( 228) = ( 0.6375684 0.3624316 0.0000000), wk = 0.0023364 k( 229) = ( 0.6421540 0.3578460 -0.0000000), wk = 0.0023364 k( 230) = ( 0.6467396 0.3532604 0.0000000), wk = 0.0023364 k( 231) = ( 0.6513252 0.3486747 0.0000000), wk = 0.0023364 k( 232) = ( 0.6559109 0.3440891 0.0000000), wk = 0.0023364 k( 233) = ( 0.6604965 0.3395035 0.0000000), wk = 0.0023364 k( 234) = ( 0.6650821 0.3349179 0.0000000), wk = 0.0023364 k( 235) = ( 0.6696677 0.3303323 0.0000000), wk = 0.0023364 k( 236) = ( 0.6742533 0.3257467 0.0000000), wk = 0.0023364 k( 237) = ( 0.6788389 0.3211611 0.0000000), wk = 0.0023364 k( 238) = ( 0.6834245 0.3165755 0.0000000), wk = 0.0023364 k( 239) = ( 0.6880101 0.3119899 0.0000000), wk = 0.0023364 k( 240) = ( 0.6925958 0.3074042 0.0000000), wk = 0.0023364 k( 241) = ( 0.6971814 0.3028186 0.0000000), wk = 0.0023364 k( 242) = ( 0.7017670 0.2982330 0.0000000), wk = 0.0023364 k( 243) = ( 0.7063526 0.2936474 0.0000000), wk = 0.0023364 k( 244) = ( 0.7109382 0.2890618 0.0000000), wk = 0.0023364 k( 245) = ( 0.7155238 0.2844762 -0.0000000), wk = 0.0023364 k( 246) = ( 0.7201095 0.2798906 0.0000000), wk = 0.0023364 k( 247) = ( 0.7246951 0.2753049 0.0000000), wk = 0.0023364 k( 248) = ( 0.7292807 0.2707193 0.0000000), wk = 0.0023364 k( 249) = ( 0.7338663 0.2661337 0.0000000), wk = 0.0023364 k( 250) = ( 0.2661337 -0.2661337 0.0000000), wk = 0.0023364 k( 251) = ( 0.2615452 -0.2615452 0.0000000), wk = 0.0023364 k( 252) = ( 0.2569567 -0.2569567 0.0000000), wk = 0.0023364 k( 253) = ( 0.2523682 -0.2523682 0.0000000), wk = 0.0023364 k( 254) = ( 0.2477797 -0.2477797 0.0000000), wk = 0.0023364 k( 255) = ( 0.2431911 -0.2431911 0.0000000), wk = 0.0023364 k( 256) = ( 0.2386026 -0.2386026 0.0000000), wk = 0.0023364 k( 257) = ( 0.2340141 -0.2340141 -0.0000000), wk = 0.0023364 k( 258) = ( 0.2294256 -0.2294256 0.0000000), wk = 0.0023364 k( 259) = ( 0.2248371 -0.2248371 0.0000000), wk = 0.0023364 k( 260) = ( 0.2202486 -0.2202486 0.0000000), wk = 0.0023364 k( 261) = ( 0.2156601 -0.2156601 0.0000000), wk = 0.0023364 k( 262) = ( 0.2110716 -0.2110716 -0.0000000), wk = 0.0023364 k( 263) = ( 0.2064831 -0.2064830 0.0000000), wk = 0.0023364 k( 264) = ( 0.2018945 -0.2018945 0.0000000), wk = 0.0023364 k( 265) = ( 0.1973060 -0.1973060 0.0000000), wk = 0.0023364 k( 266) = ( 0.1927175 -0.1927175 0.0000000), wk = 0.0023364 k( 267) = ( 0.1881290 -0.1881290 -0.0000000), wk = 0.0023364 k( 268) = ( 0.1835405 -0.1835405 0.0000000), wk = 0.0023364 k( 269) = ( 0.1789520 -0.1789520 0.0000000), wk = 0.0023364 k( 270) = ( 0.1743635 -0.1743635 0.0000000), wk = 0.0023364 k( 271) = ( 0.1697750 -0.1697750 0.0000000), wk = 0.0023364 k( 272) = ( 0.1651864 -0.1651864 0.0000000), wk = 0.0023364 k( 273) = ( 0.1605979 -0.1605979 0.0000000), wk = 0.0023364 k( 274) = ( 0.1560094 -0.1560094 0.0000000), wk = 0.0023364 k( 275) = ( 0.1514209 -0.1514209 -0.0000000), wk = 0.0023364 k( 276) = ( 0.1468324 -0.1468324 0.0000000), wk = 0.0023364 k( 277) = ( 0.1422439 -0.1422439 0.0000000), wk = 0.0023364 k( 278) = ( 0.1376554 -0.1376554 0.0000000), wk = 0.0023364 k( 279) = ( 0.1330669 -0.1330669 0.0000000), wk = 0.0023364 k( 280) = ( 0.1284783 -0.1284783 0.0000000), wk = 0.0023364 k( 281) = ( 0.1238898 -0.1238898 0.0000000), wk = 0.0023364 k( 282) = ( 0.1193013 -0.1193013 0.0000000), wk = 0.0023364 k( 283) = ( 0.1147128 -0.1147128 0.0000000), wk = 0.0023364 k( 284) = ( 0.1101243 -0.1101243 0.0000000), wk = 0.0023364 k( 285) = ( 0.1055358 -0.1055358 -0.0000000), wk = 0.0023364 k( 286) = ( 0.1009473 -0.1009473 0.0000000), wk = 0.0023364 k( 287) = ( 0.0963588 -0.0963588 0.0000000), wk = 0.0023364 k( 288) = ( 0.0917702 -0.0917702 0.0000000), wk = 0.0023364 k( 289) = ( 0.0871817 -0.0871817 0.0000000), wk = 0.0023364 k( 290) = ( 0.0825932 -0.0825932 0.0000000), wk = 0.0023364 k( 291) = ( 0.0780047 -0.0780047 0.0000000), wk = 0.0023364 k( 292) = ( 0.0734162 -0.0734162 0.0000000), wk = 0.0023364 k( 293) = ( 0.0688277 -0.0688277 0.0000000), wk = 0.0023364 k( 294) = ( 0.0642392 -0.0642392 0.0000000), wk = 0.0023364 k( 295) = ( 0.0596507 -0.0596507 0.0000000), wk = 0.0023364 k( 296) = ( 0.0550621 -0.0550621 0.0000000), wk = 0.0023364 k( 297) = ( 0.0504736 -0.0504736 0.0000000), wk = 0.0023364 k( 298) = ( 0.0458851 -0.0458851 0.0000000), wk = 0.0023364 k( 299) = ( 0.0412966 -0.0412966 0.0000000), wk = 0.0023364 k( 300) = ( 0.0367081 -0.0367081 0.0000000), wk = 0.0023364 k( 301) = ( 0.0321196 -0.0321196 0.0000000), wk = 0.0023364 k( 302) = ( 0.0275311 -0.0275311 0.0000000), wk = 0.0023364 k( 303) = ( 0.0229426 -0.0229426 0.0000000), wk = 0.0023364 k( 304) = ( 0.0183541 -0.0183540 0.0000000), wk = 0.0023364 k( 305) = ( 0.0137655 -0.0137655 0.0000000), wk = 0.0023364 k( 306) = ( 0.0091770 -0.0091770 0.0000000), wk = 0.0023364 k( 307) = ( 0.0045885 -0.0045885 0.0000000), wk = 0.0023364 k( 308) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 309) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 310) = ( 0.0089286 0.0000000 0.0000000), wk = 0.0023364 k( 311) = ( 0.0178571 0.0000000 0.0000000), wk = 0.0023364 k( 312) = ( 0.0267857 0.0000000 0.0000000), wk = 0.0023364 k( 313) = ( 0.0357143 0.0000000 0.0000000), wk = 0.0023364 k( 314) = ( 0.0446429 0.0000000 0.0000000), wk = 0.0023364 k( 315) = ( 0.0535714 0.0000000 0.0000000), wk = 0.0023364 k( 316) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0023364 k( 317) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0023364 k( 318) = ( 0.0803571 0.0000000 0.0000000), wk = 0.0023364 k( 319) = ( 0.0892857 0.0000000 0.0000000), wk = 0.0023364 k( 320) = ( 0.0982143 0.0000000 0.0000000), wk = 0.0023364 k( 321) = ( 0.1071429 0.0000000 0.0000000), wk = 0.0023364 k( 322) = ( 0.1160714 0.0000000 0.0000000), wk = 0.0023364 k( 323) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0023364 k( 324) = ( 0.1339286 0.0000000 0.0000000), wk = 0.0023364 k( 325) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0023364 k( 326) = ( 0.1517857 0.0000000 0.0000000), wk = 0.0023364 k( 327) = ( 0.1607143 0.0000000 0.0000000), wk = 0.0023364 k( 328) = ( 0.1696429 0.0000000 0.0000000), wk = 0.0023364 k( 329) = ( 0.1785714 0.0000000 0.0000000), wk = 0.0023364 k( 330) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0023364 k( 331) = ( 0.1964286 0.0000000 0.0000000), wk = 0.0023364 k( 332) = ( 0.2053571 0.0000000 0.0000000), wk = 0.0023364 k( 333) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0023364 k( 334) = ( 0.2232143 0.0000000 0.0000000), wk = 0.0023364 k( 335) = ( 0.2321429 0.0000000 0.0000000), wk = 0.0023364 k( 336) = ( 0.2410714 0.0000000 0.0000000), wk = 0.0023364 k( 337) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0023364 k( 338) = ( 0.2589286 0.0000000 0.0000000), wk = 0.0023364 k( 339) = ( 0.2678571 0.0000000 0.0000000), wk = 0.0023364 k( 340) = ( 0.2767857 0.0000000 0.0000000), wk = 0.0023364 k( 341) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0023364 k( 342) = ( 0.2946429 0.0000000 0.0000000), wk = 0.0023364 k( 343) = ( 0.3035714 0.0000000 0.0000000), wk = 0.0023364 k( 344) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0023364 k( 345) = ( 0.3214286 0.0000000 0.0000000), wk = 0.0023364 k( 346) = ( 0.3303571 0.0000000 0.0000000), wk = 0.0023364 k( 347) = ( 0.3392857 0.0000000 -0.0000000), wk = 0.0023364 k( 348) = ( 0.3482143 0.0000000 0.0000000), wk = 0.0023364 k( 349) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0023364 k( 350) = ( 0.3660714 0.0000000 0.0000000), wk = 0.0023364 k( 351) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0023364 k( 352) = ( 0.3839286 0.0000000 0.0000000), wk = 0.0023364 k( 353) = ( 0.3928571 0.0000000 0.0000000), wk = 0.0023364 k( 354) = ( 0.4017857 0.0000000 0.0000000), wk = 0.0023364 k( 355) = ( 0.4107143 0.0000000 0.0000000), wk = 0.0023364 k( 356) = ( 0.4196429 0.0000000 0.0000000), wk = 0.0023364 k( 357) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0023364 k( 358) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0023364 k( 359) = ( 0.4464286 0.0000000 0.0000000), wk = 0.0023364 k( 360) = ( 0.4553571 0.0000000 0.0000000), wk = 0.0023364 k( 361) = ( 0.4642857 0.0000000 0.0000000), wk = 0.0023364 k( 362) = ( 0.4732143 0.0000000 0.0000000), wk = 0.0023364 k( 363) = ( 0.4821429 0.0000000 0.0000000), wk = 0.0023364 k( 364) = ( 0.4910714 0.0000000 0.0000000), wk = 0.0023364 k( 365) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023364 k( 366) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023364 k( 367) = ( 0.4919355 0.0000000 0.4919355), wk = 0.0023364 k( 368) = ( 0.4838710 0.0000000 0.4838710), wk = 0.0023364 k( 369) = ( 0.4758064 0.0000000 0.4758064), wk = 0.0023364 k( 370) = ( 0.4677419 0.0000000 0.4677419), wk = 0.0023364 k( 371) = ( 0.4596774 0.0000000 0.4596774), wk = 0.0023364 k( 372) = ( 0.4516129 0.0000000 0.4516129), wk = 0.0023364 k( 373) = ( 0.4435484 0.0000000 0.4435484), wk = 0.0023364 k( 374) = ( 0.4354839 0.0000000 0.4354839), wk = 0.0023364 k( 375) = ( 0.4274193 0.0000000 0.4274194), wk = 0.0023364 k( 376) = ( 0.4193548 0.0000000 0.4193548), wk = 0.0023364 k( 377) = ( 0.4112903 0.0000000 0.4112903), wk = 0.0023364 k( 378) = ( 0.4032258 0.0000000 0.4032258), wk = 0.0023364 k( 379) = ( 0.3951613 0.0000000 0.3951613), wk = 0.0023364 k( 380) = ( 0.3870968 0.0000000 0.3870968), wk = 0.0023364 k( 381) = ( 0.3790323 0.0000000 0.3790323), wk = 0.0023364 k( 382) = ( 0.3709677 0.0000000 0.3709677), wk = 0.0023364 k( 383) = ( 0.3629032 0.0000000 0.3629032), wk = 0.0023364 k( 384) = ( 0.3548387 0.0000000 0.3548387), wk = 0.0023364 k( 385) = ( 0.3467742 0.0000000 0.3467742), wk = 0.0023364 k( 386) = ( 0.3387097 0.0000000 0.3387097), wk = 0.0023364 k( 387) = ( 0.3306452 0.0000000 0.3306452), wk = 0.0023364 k( 388) = ( 0.3225807 0.0000000 0.3225807), wk = 0.0023364 k( 389) = ( 0.3145161 0.0000000 0.3145161), wk = 0.0023364 k( 390) = ( 0.3064516 0.0000000 0.3064516), wk = 0.0023364 k( 391) = ( 0.2983871 0.0000000 0.2983871), wk = 0.0023364 k( 392) = ( 0.2903226 0.0000000 0.2903226), wk = 0.0023364 k( 393) = ( 0.2822581 0.0000000 0.2822581), wk = 0.0023364 k( 394) = ( 0.2741936 0.0000000 0.2741936), wk = 0.0023364 k( 395) = ( 0.2661290 0.0000000 0.2661290), wk = 0.0023364 k( 396) = ( 0.2580645 0.0000000 0.2580645), wk = 0.0023364 k( 397) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0023364 k( 398) = ( 0.2419355 0.0000000 0.2419355), wk = 0.0023364 k( 399) = ( 0.2338710 0.0000000 0.2338710), wk = 0.0023364 k( 400) = ( 0.2258064 0.0000000 0.2258064), wk = 0.0023364 k( 401) = ( 0.2177419 0.0000000 0.2177419), wk = 0.0023364 k( 402) = ( 0.2096774 0.0000000 0.2096774), wk = 0.0023364 k( 403) = ( 0.2016129 0.0000000 0.2016129), wk = 0.0023364 k( 404) = ( 0.1935484 0.0000000 0.1935484), wk = 0.0023364 k( 405) = ( 0.1854839 0.0000000 0.1854839), wk = 0.0023364 k( 406) = ( 0.1774194 0.0000000 0.1774194), wk = 0.0023364 k( 407) = ( 0.1693548 0.0000000 0.1693548), wk = 0.0023364 k( 408) = ( 0.1612903 0.0000000 0.1612903), wk = 0.0023364 k( 409) = ( 0.1532258 0.0000000 0.1532258), wk = 0.0023364 k( 410) = ( 0.1451613 0.0000000 0.1451613), wk = 0.0023364 k( 411) = ( 0.1370968 0.0000000 0.1370968), wk = 0.0023364 k( 412) = ( 0.1290323 0.0000000 0.1290323), wk = 0.0023364 k( 413) = ( 0.1209677 0.0000000 0.1209677), wk = 0.0023364 k( 414) = ( 0.1129032 0.0000000 0.1129032), wk = 0.0023364 k( 415) = ( 0.1048387 0.0000000 0.1048387), wk = 0.0023364 k( 416) = ( 0.0967742 0.0000000 0.0967742), wk = 0.0023364 k( 417) = ( 0.0887097 0.0000000 0.0887097), wk = 0.0023364 k( 418) = ( 0.0806452 0.0000000 0.0806452), wk = 0.0023364 k( 419) = ( 0.0725806 0.0000000 0.0725807), wk = 0.0023364 k( 420) = ( 0.0645161 0.0000000 0.0645161), wk = 0.0023364 k( 421) = ( 0.0564516 0.0000000 0.0564516), wk = 0.0023364 k( 422) = ( 0.0483871 0.0000000 0.0483871), wk = 0.0023364 k( 423) = ( 0.0403226 0.0000000 0.0403226), wk = 0.0023364 k( 424) = ( 0.0322581 0.0000000 0.0322581), wk = 0.0023364 k( 425) = ( 0.0241936 0.0000000 0.0241936), wk = 0.0023364 k( 426) = ( 0.0161290 0.0000000 0.0161290), wk = 0.0023364 k( 427) = ( 0.0080645 0.0000000 0.0080645), wk = 0.0023364 k( 428) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 Dense grid: 62263 G-vectors FFT dimensions: ( 72, 72, 64) Smooth grid: 27467 G-vectors FFT dimensions: ( 54, 54, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 164, 58) NL pseudopotentials 0.18 Mb ( 82, 140) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1296) G-vector shells 0.01 Mb ( 1202) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.58 Mb ( 164, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.25 Mb ( 140, 2, 58) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Al2O3.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.1 secs Computing kpt #: 2 total cpu time spent up to now is 44.9 secs Computing kpt #: 3 total cpu time spent up to now is 47.8 secs Computing kpt #: 4 total cpu time spent up to now is 50.5 secs Computing kpt #: 5 total cpu time spent up to now is 53.2 secs Computing kpt #: 6 total cpu time spent up to now is 55.9 secs Computing kpt #: 7 total cpu time spent up to now is 58.6 secs Computing kpt #: 8 total cpu time spent up to now is 61.4 secs Computing kpt #: 9 total cpu time spent up to now is 64.2 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 69.8 secs Computing kpt #: 12 total cpu time spent up to now is 72.6 secs Computing kpt #: 13 total cpu time spent up to now is 75.4 secs Computing kpt #: 14 total cpu time spent up to now is 78.1 secs Computing kpt #: 15 total cpu time spent up to now is 80.9 secs Computing kpt #: 16 total cpu time spent up to now is 83.6 secs Computing kpt #: 17 total cpu time spent up to now is 86.3 secs Computing kpt #: 18 total cpu time spent up to now is 88.8 secs Computing kpt #: 19 total cpu time spent up to now is 91.4 secs Computing kpt #: 20 total cpu time spent up to now is 94.0 secs Computing kpt #: 21 total cpu time spent up to now is 96.6 secs Computing kpt #: 22 total cpu time spent up to now is 99.2 secs Computing kpt #: 23 total cpu time spent up to now is 101.8 secs Computing kpt #: 24 total cpu time spent up to now is 104.5 secs Computing kpt #: 25 total cpu time spent up to now is 107.2 secs Computing kpt #: 26 total cpu time spent up to now is 109.9 secs Computing kpt #: 27 total cpu time spent up to now is 112.6 secs Computing kpt #: 28 total cpu time spent up to now is 115.3 secs Computing kpt #: 29 total cpu time spent up to now is 118.1 secs Computing kpt #: 30 total cpu time spent up to now is 120.9 secs Computing kpt #: 31 total cpu time spent up to now is 124.0 secs Computing kpt #: 32 total cpu time spent up to now is 126.7 secs Computing kpt #: 33 total cpu time spent up to now is 129.3 secs Computing kpt #: 34 total cpu time spent up to now is 131.9 secs Computing kpt #: 35 total cpu time spent up to now is 134.5 secs Computing kpt #: 36 total cpu time spent up to now is 137.0 secs Computing kpt #: 37 total cpu time spent up to now is 139.4 secs Computing kpt #: 38 total cpu time spent up to now is 141.9 secs Computing kpt #: 39 total cpu time spent up to now is 144.4 secs Computing kpt #: 40 total cpu time spent up to now is 146.8 secs Computing kpt #: 41 total cpu time spent up to now is 149.2 secs Computing kpt #: 42 total cpu time spent up to now is 151.5 secs Computing kpt #: 43 total cpu time spent up to now is 153.9 secs Computing kpt #: 44 total cpu time spent up to now is 156.2 secs Computing kpt #: 45 total cpu time spent up to now is 158.7 secs Computing kpt #: 46 total cpu time spent up to now is 161.1 secs Computing kpt #: 47 total cpu time spent up to now is 163.5 secs Computing kpt #: 48 total cpu time spent up to now is 166.0 secs Computing kpt #: 49 total cpu time spent up to now is 168.6 secs Computing kpt #: 50 total cpu time spent up to now is 171.1 secs Computing kpt #: 51 total cpu time spent up to now is 173.7 secs Computing kpt #: 52 total cpu time spent up to now is 176.5 secs Computing kpt #: 53 total cpu time spent up to now is 179.2 secs Computing kpt #: 54 total cpu time spent up to now is 181.9 secs Computing kpt #: 55 total cpu time spent up to now is 184.7 secs Computing kpt #: 56 total cpu time spent up to now is 187.4 secs Computing kpt #: 57 total cpu time spent up to now is 190.1 secs Computing kpt #: 58 total cpu time spent up to now is 192.8 secs Computing kpt #: 59 total cpu time spent up to now is 195.5 secs Computing kpt #: 60 total cpu time spent up to now is 198.2 secs Computing kpt #: 61 total cpu time spent up to now is 200.9 secs Computing kpt #: 62 total cpu time spent up to now is 203.5 secs Computing kpt #: 63 total cpu time spent up to now is 206.1 secs Computing kpt #: 64 total cpu time spent up to now is 208.7 secs Computing kpt #: 65 total cpu time spent up to now is 211.4 secs Computing kpt #: 66 total cpu time spent up to now is 214.2 secs Computing kpt #: 67 total cpu time spent up to now is 216.8 secs Computing kpt #: 68 total cpu time spent up to now is 219.5 secs Computing kpt #: 69 total cpu time spent up to now is 222.1 secs Computing kpt #: 70 total cpu time spent up to now is 224.9 secs Computing kpt #: 71 total cpu time spent up to now is 227.5 secs Computing kpt #: 72 total cpu time spent up to now is 230.2 secs Computing kpt #: 73 total cpu time spent up to now is 232.9 secs Computing kpt #: 74 total cpu time spent up to now is 235.6 secs Computing kpt #: 75 total cpu time spent up to now is 238.4 secs Computing kpt #: 76 total cpu time spent up to now is 241.2 secs Computing kpt #: 77 total cpu time spent up to now is 244.1 secs Computing kpt #: 78 total cpu time spent up to now is 246.8 secs Computing kpt #: 79 total cpu time spent up to now is 249.7 secs Computing kpt #: 80 total cpu time spent up to now is 252.6 secs Computing kpt #: 81 total cpu time spent up to now is 255.5 secs Computing kpt #: 82 total cpu time spent up to now is 258.5 secs Computing kpt #: 83 total cpu time spent up to now is 261.3 secs Computing kpt #: 84 total cpu time spent up to now is 264.2 secs Computing kpt #: 85 total cpu time spent up to now is 267.0 secs Computing kpt #: 86 total cpu time spent up to now is 269.6 secs Computing kpt #: 87 total cpu time spent up to now is 272.3 secs Computing kpt #: 88 total cpu time spent up to now is 275.0 secs Computing kpt #: 89 total cpu time spent up to now is 277.6 secs Computing kpt #: 90 total cpu time spent up to now is 280.3 secs Computing kpt #: 91 total cpu time spent up to now is 283.0 secs Computing kpt #: 92 total cpu time spent up to now is 285.9 secs Computing kpt #: 93 total cpu time spent up to now is 288.5 secs Computing kpt #: 94 total cpu time spent up to now is 291.2 secs Computing kpt #: 95 total cpu time spent up to now is 294.0 secs Computing kpt #: 96 total cpu time spent up to now is 296.6 secs Computing kpt #: 97 total cpu time spent up to now is 299.4 secs Computing kpt #: 98 total cpu time spent up to now is 302.0 secs Computing kpt #: 99 total cpu time spent up to now is 304.8 secs Computing kpt #: 100 total cpu time spent up to now is 307.7 secs Computing kpt #: 101 total cpu time spent up to now is 311.0 secs Computing kpt #: 102 total cpu time spent up to now is 313.8 secs Computing kpt #: 103 total cpu time spent up to now is 316.7 secs Computing kpt #: 104 total cpu time spent up to now is 319.6 secs Computing kpt #: 105 total cpu time spent up to now is 322.6 secs Computing kpt #: 106 total cpu time spent up to now is 325.3 secs Computing kpt #: 107 total cpu time spent up to now is 328.2 secs Computing kpt #: 108 total cpu time spent up to now is 330.8 secs Computing kpt #: 109 total cpu time spent up to now is 333.4 secs Computing kpt #: 110 total cpu time spent up to now is 336.1 secs Computing kpt #: 111 total cpu time spent up to now is 338.8 secs Computing kpt #: 112 total cpu time spent up to now is 341.5 secs Computing kpt #: 113 total cpu time spent up to now is 344.1 secs Computing kpt #: 114 total cpu time spent up to now is 346.8 secs Computing kpt #: 115 total cpu time spent up to now is 349.5 secs Computing kpt #: 116 total cpu time spent up to now is 352.2 secs Computing kpt #: 117 total cpu time spent up to now is 354.9 secs Computing kpt #: 118 total cpu time spent up to now is 357.6 secs Computing kpt #: 119 total cpu time spent up to now is 360.2 secs Computing kpt #: 120 total cpu time spent up to now is 363.0 secs Computing kpt #: 121 total cpu time spent up to now is 365.9 secs Computing kpt #: 122 total cpu time spent up to now is 368.8 secs Computing kpt #: 123 total cpu time spent up to now is 372.1 secs Computing kpt #: 124 total cpu time spent up to now is 375.1 secs Computing kpt #: 125 total cpu time spent up to now is 379.1 secs Computing kpt #: 126 total cpu time spent up to now is 383.0 secs Computing kpt #: 127 total cpu time spent up to now is 386.4 secs Computing kpt #: 128 total cpu time spent up to now is 390.7 secs Computing kpt #: 129 total cpu time spent up to now is 394.7 secs Computing kpt #: 130 total cpu time spent up to now is 398.1 secs Computing kpt #: 131 total cpu time spent up to now is 401.0 secs Computing kpt #: 132 total cpu time spent up to now is 403.9 secs Computing kpt #: 133 total cpu time spent up to now is 406.8 secs Computing kpt #: 134 total cpu time spent up to now is 409.7 secs Computing kpt #: 135 total cpu time spent up to now is 412.8 secs Computing kpt #: 136 total cpu time spent up to now is 415.7 secs Computing kpt #: 137 total cpu time spent up to now is 418.8 secs Computing kpt #: 138 total cpu time spent up to now is 421.7 secs Computing kpt #: 139 total cpu time spent up to now is 424.8 secs Computing kpt #: 140 total cpu time spent up to now is 428.2 secs Computing kpt #: 141 total cpu time spent up to now is 431.3 secs Computing kpt #: 142 total cpu time spent up to now is 434.9 secs Computing kpt #: 143 total cpu time spent up to now is 438.1 secs Computing kpt #: 144 total cpu time spent up to now is 441.7 secs Computing kpt #: 145 total cpu time spent up to now is 445.1 secs Computing kpt #: 146 total cpu time spent up to now is 449.0 secs Computing kpt #: 147 total cpu time spent up to now is 453.5 secs Computing kpt #: 148 total cpu time spent up to now is 457.2 secs Computing kpt #: 149 total cpu time spent up to now is 460.3 secs Computing kpt #: 150 total cpu time spent up to now is 463.3 secs Computing kpt #: 151 total cpu time spent up to now is 466.2 secs Computing kpt #: 152 total cpu time spent up to now is 469.0 secs Computing kpt #: 153 total cpu time spent up to now is 471.8 secs Computing kpt #: 154 total cpu time spent up to now is 474.4 secs Computing kpt #: 155 total cpu time spent up to now is 477.2 secs Computing kpt #: 156 total cpu time spent up to now is 479.8 secs Computing kpt #: 157 total cpu time spent up to now is 482.3 secs Computing kpt #: 158 total cpu time spent up to now is 484.9 secs Computing kpt #: 159 total cpu time spent up to now is 487.4 secs Computing kpt #: 160 total cpu time spent up to now is 490.0 secs Computing kpt #: 161 total cpu time spent up to now is 492.5 secs Computing kpt #: 162 total cpu time spent up to now is 495.0 secs Computing kpt #: 163 total cpu time spent up to now is 497.5 secs Computing kpt #: 164 total cpu time spent up to now is 500.2 secs Computing kpt #: 165 total cpu time spent up to now is 502.8 secs Computing kpt #: 166 total cpu time spent up to now is 505.4 secs Computing kpt #: 167 total cpu time spent up to now is 508.0 secs Computing kpt #: 168 total cpu time spent up to now is 510.5 secs Computing kpt #: 169 total cpu time spent up to now is 513.1 secs Computing kpt #: 170 total cpu time spent up to now is 515.6 secs Computing kpt #: 171 total cpu time spent up to now is 518.3 secs Computing kpt #: 172 total cpu time spent up to now is 521.0 secs Computing kpt #: 173 total cpu time spent up to now is 523.7 secs Computing kpt #: 174 total cpu time spent up to now is 526.2 secs Computing kpt #: 175 total cpu time spent up to now is 528.8 secs Computing kpt #: 176 total cpu time spent up to now is 531.3 secs Computing kpt #: 177 total cpu time spent up to now is 534.0 secs Computing kpt #: 178 total cpu time spent up to now is 536.5 secs Computing kpt #: 179 total cpu time spent up to now is 539.1 secs Computing kpt #: 180 total cpu time spent up to now is 541.6 secs Computing kpt #: 181 total cpu time spent up to now is 544.3 secs Computing kpt #: 182 total cpu time spent up to now is 546.9 secs Computing kpt #: 183 total cpu time spent up to now is 549.4 secs Computing kpt #: 184 total cpu time spent up to now is 551.9 secs Computing kpt #: 185 total cpu time spent up to now is 554.4 secs Computing kpt #: 186 total cpu time spent up to now is 556.9 secs Computing kpt #: 187 total cpu time spent up to now is 559.5 secs Computing kpt #: 188 total cpu time spent up to now is 562.2 secs Computing kpt #: 189 total cpu time spent up to now is 565.0 secs Computing kpt #: 190 total cpu time spent up to now is 567.6 secs Computing kpt #: 191 total cpu time spent up to now is 570.2 secs Computing kpt #: 192 total cpu time spent up to now is 572.8 secs Computing kpt #: 193 total cpu time spent up to now is 576.1 secs Computing kpt #: 194 total cpu time spent up to now is 578.9 secs Computing kpt #: 195 total cpu time spent up to now is 581.6 secs Computing kpt #: 196 total cpu time spent up to now is 584.3 secs Computing kpt #: 197 total cpu time spent up to now is 587.1 secs Computing kpt #: 198 total cpu time spent up to now is 589.7 secs Computing kpt #: 199 total cpu time spent up to now is 592.4 secs Computing kpt #: 200 total cpu time spent up to now is 595.2 secs Computing kpt #: 201 total cpu time spent up to now is 597.9 secs Computing kpt #: 202 total cpu time spent up to now is 600.7 secs Computing kpt #: 203 total cpu time spent up to now is 603.4 secs Computing kpt #: 204 total cpu time spent up to now is 606.1 secs Computing kpt #: 205 total cpu time spent up to now is 608.8 secs Computing kpt #: 206 total cpu time spent up to now is 611.6 secs Computing kpt #: 207 total cpu time spent up to now is 614.3 secs Computing kpt #: 208 total cpu time spent up to now is 617.0 secs Computing kpt #: 209 total cpu time spent up to now is 619.7 secs Computing kpt #: 210 total cpu time spent up to now is 622.6 secs Computing kpt #: 211 total cpu time spent up to now is 625.4 secs Computing kpt #: 212 total cpu time spent up to now is 628.2 secs Computing kpt #: 213 total cpu time spent up to now is 631.1 secs Computing kpt #: 214 total cpu time spent up to now is 633.9 secs Computing kpt #: 215 total cpu time spent up to now is 636.7 secs Computing kpt #: 216 total cpu time spent up to now is 639.3 secs Computing kpt #: 217 total cpu time spent up to now is 641.8 secs Computing kpt #: 218 total cpu time spent up to now is 644.3 secs Computing kpt #: 219 total cpu time spent up to now is 646.7 secs Computing kpt #: 220 total cpu time spent up to now is 649.2 secs Computing kpt #: 221 total cpu time spent up to now is 651.7 secs Computing kpt #: 222 total cpu time spent up to now is 654.1 secs Computing kpt #: 223 total cpu time spent up to now is 656.6 secs Computing kpt #: 224 total cpu time spent up to now is 659.1 secs Computing kpt #: 225 total cpu time spent up to now is 661.5 secs Computing kpt #: 226 total cpu time spent up to now is 664.0 secs Computing kpt #: 227 total cpu time spent up to now is 666.5 secs Computing kpt #: 228 total cpu time spent up to now is 669.0 secs Computing kpt #: 229 total cpu time spent up to now is 671.5 secs Computing kpt #: 230 total cpu time spent up to now is 674.0 secs Computing kpt #: 231 total cpu time spent up to now is 676.6 secs Computing kpt #: 232 total cpu time spent up to now is 679.4 secs Computing kpt #: 233 total cpu time spent up to now is 682.1 secs Computing kpt #: 234 total cpu time spent up to now is 684.9 secs Computing kpt #: 235 total cpu time spent up to now is 687.9 secs Computing kpt #: 236 total cpu time spent up to now is 690.8 secs Computing kpt #: 237 total cpu time spent up to now is 693.6 secs Computing kpt #: 238 total cpu time spent up to now is 696.4 secs Computing kpt #: 239 total cpu time spent up to now is 699.2 secs Computing kpt #: 240 total cpu time spent up to now is 701.7 secs Computing kpt #: 241 total cpu time spent up to now is 704.3 secs Computing kpt #: 242 total cpu time spent up to now is 706.9 secs Computing kpt #: 243 total cpu time spent up to now is 709.4 secs Computing kpt #: 244 total cpu time spent up to now is 711.9 secs Computing kpt #: 245 total cpu time spent up to now is 714.4 secs Computing kpt #: 246 total cpu time spent up to now is 716.9 secs Computing kpt #: 247 total cpu time spent up to now is 719.4 secs Computing kpt #: 248 total cpu time spent up to now is 722.0 secs Computing kpt #: 249 total cpu time spent up to now is 724.6 secs Computing kpt #: 250 total cpu time spent up to now is 727.0 secs Computing kpt #: 251 total cpu time spent up to now is 729.5 secs Computing kpt #: 252 total cpu time spent up to now is 732.0 secs Computing kpt #: 253 total cpu time spent up to now is 734.4 secs Computing kpt #: 254 total cpu time spent up to now is 736.9 secs Computing kpt #: 255 total cpu time spent up to now is 739.3 secs Computing kpt #: 256 total cpu time spent up to now is 741.8 secs Computing kpt #: 257 total cpu time spent up to now is 744.3 secs Computing kpt #: 258 total cpu time spent up to now is 746.8 secs Computing kpt #: 259 total cpu time spent up to now is 749.4 secs Computing kpt #: 260 total cpu time spent up to now is 751.9 secs Computing kpt #: 261 total cpu time spent up to now is 754.5 secs Computing kpt #: 262 total cpu time spent up to now is 757.1 secs Computing kpt #: 263 total cpu time spent up to now is 759.8 secs Computing kpt #: 264 total cpu time spent up to now is 762.4 secs Computing kpt #: 265 total cpu time spent up to now is 765.2 secs Computing kpt #: 266 total cpu time spent up to now is 768.0 secs Computing kpt #: 267 total cpu time spent up to now is 770.9 secs Computing kpt #: 268 total cpu time spent up to now is 773.8 secs Computing kpt #: 269 total cpu time spent up to now is 776.7 secs Computing kpt #: 270 total cpu time spent up to now is 779.7 secs Computing kpt #: 271 total cpu time spent up to now is 782.6 secs Computing kpt #: 272 total cpu time spent up to now is 785.5 secs Computing kpt #: 273 total cpu time spent up to now is 788.3 secs Computing kpt #: 274 total cpu time spent up to now is 791.2 secs Computing kpt #: 275 total cpu time spent up to now is 794.0 secs Computing kpt #: 276 total cpu time spent up to now is 796.8 secs Computing kpt #: 277 total cpu time spent up to now is 799.4 secs Computing kpt #: 278 total cpu time spent up to now is 802.1 secs Computing kpt #: 279 total cpu time spent up to now is 804.7 secs Computing kpt #: 280 total cpu time spent up to now is 807.3 secs Computing kpt #: 281 total cpu time spent up to now is 810.0 secs Computing kpt #: 282 total cpu time spent up to now is 812.7 secs Computing kpt #: 283 total cpu time spent up to now is 815.5 secs Computing kpt #: 284 total cpu time spent up to now is 818.5 secs Computing kpt #: 285 total cpu time spent up to now is 821.3 secs Computing kpt #: 286 total cpu time spent up to now is 824.6 secs Computing kpt #: 287 total cpu time spent up to now is 828.0 secs Computing kpt #: 288 total cpu time spent up to now is 831.5 secs Computing kpt #: 289 total cpu time spent up to now is 834.5 secs Computing kpt #: 290 total cpu time spent up to now is 837.4 secs Computing kpt #: 291 total cpu time spent up to now is 840.3 secs Computing kpt #: 292 total cpu time spent up to now is 843.0 secs Computing kpt #: 293 total cpu time spent up to now is 845.8 secs Computing kpt #: 294 total cpu time spent up to now is 848.4 secs Computing kpt #: 295 total cpu time spent up to now is 851.2 secs Computing kpt #: 296 total cpu time spent up to now is 854.0 secs Computing kpt #: 297 total cpu time spent up to now is 856.8 secs Computing kpt #: 298 total cpu time spent up to now is 859.4 secs Computing kpt #: 299 total cpu time spent up to now is 862.1 secs Computing kpt #: 300 total cpu time spent up to now is 864.8 secs Computing kpt #: 301 total cpu time spent up to now is 867.5 secs Computing kpt #: 302 total cpu time spent up to now is 870.2 secs Computing kpt #: 303 total cpu time spent up to now is 872.7 secs Computing kpt #: 304 total cpu time spent up to now is 875.3 secs Computing kpt #: 305 total cpu time spent up to now is 878.1 secs Computing kpt #: 306 total cpu time spent up to now is 880.8 secs Computing kpt #: 307 total cpu time spent up to now is 883.4 secs Computing kpt #: 308 total cpu time spent up to now is 886.1 secs Computing kpt #: 309 total cpu time spent up to now is 888.8 secs Computing kpt #: 310 total cpu time spent up to now is 891.5 secs Computing kpt #: 311 total cpu time spent up to now is 894.3 secs Computing kpt #: 312 total cpu time spent up to now is 897.0 secs Computing kpt #: 313 total cpu time spent up to now is 899.6 secs Computing kpt #: 314 total cpu time spent up to now is 902.3 secs Computing kpt #: 315 total cpu time spent up to now is 905.0 secs Computing kpt #: 316 total cpu time spent up to now is 907.8 secs Computing kpt #: 317 total cpu time spent up to now is 910.6 secs Computing kpt #: 318 total cpu time spent up to now is 913.3 secs Computing kpt #: 319 total cpu time spent up to now is 916.2 secs Computing kpt #: 320 total cpu time spent up to now is 919.1 secs Computing kpt #: 321 total cpu time spent up to now is 922.1 secs Computing kpt #: 322 total cpu time spent up to now is 924.9 secs Computing kpt #: 323 total cpu time spent up to now is 928.1 secs Computing kpt #: 324 total cpu time spent up to now is 931.0 secs Computing kpt #: 325 total cpu time spent up to now is 934.0 secs Computing kpt #: 326 total cpu time spent up to now is 937.1 secs Computing kpt #: 327 total cpu time spent up to now is 939.9 secs Computing kpt #: 328 total cpu time spent up to now is 942.8 secs Computing kpt #: 329 total cpu time spent up to now is 945.6 secs Computing kpt #: 330 total cpu time spent up to now is 948.5 secs Computing kpt #: 331 total cpu time spent up to now is 951.5 secs Computing kpt #: 332 total cpu time spent up to now is 954.5 secs Computing kpt #: 333 total cpu time spent up to now is 957.6 secs Computing kpt #: 334 total cpu time spent up to now is 960.4 secs Computing kpt #: 335 total cpu time spent up to now is 963.5 secs Computing kpt #: 336 total cpu time spent up to now is 966.4 secs Computing kpt #: 337 total cpu time spent up to now is 969.2 secs Computing kpt #: 338 total cpu time spent up to now is 972.0 secs Computing kpt #: 339 total cpu time spent up to now is 974.8 secs Computing kpt #: 340 total cpu time spent up to now is 977.6 secs Computing kpt #: 341 total cpu time spent up to now is 980.4 secs Computing kpt #: 342 total cpu time spent up to now is 983.2 secs Computing kpt #: 343 total cpu time spent up to now is 986.0 secs Computing kpt #: 344 total cpu time spent up to now is 988.9 secs Computing kpt #: 345 total cpu time spent up to now is 991.7 secs Computing kpt #: 346 total cpu time spent up to now is 994.4 secs Computing kpt #: 347 total cpu time spent up to now is 997.3 secs Computing kpt #: 348 total cpu time spent up to now is 1000.1 secs Computing kpt #: 349 total cpu time spent up to now is 1002.9 secs Computing kpt #: 350 total cpu time spent up to now is 1005.6 secs Computing kpt #: 351 total cpu time spent up to now is 1008.2 secs Computing kpt #: 352 total cpu time spent up to now is 1010.9 secs Computing kpt #: 353 total cpu time spent up to now is 1013.5 secs Computing kpt #: 354 total cpu time spent up to now is 1016.0 secs Computing kpt #: 355 total cpu time spent up to now is 1018.5 secs Computing kpt #: 356 total cpu time spent up to now is 1021.1 secs Computing kpt #: 357 total cpu time spent up to now is 1023.6 secs Computing kpt #: 358 total cpu time spent up to now is 1026.1 secs Computing kpt #: 359 total cpu time spent up to now is 1028.6 secs Computing kpt #: 360 total cpu time spent up to now is 1031.0 secs Computing kpt #: 361 total cpu time spent up to now is 1033.5 secs Computing kpt #: 362 total cpu time spent up to now is 1036.1 secs Computing kpt #: 363 total cpu time spent up to now is 1038.5 secs Computing kpt #: 364 total cpu time spent up to now is 1041.2 secs Computing kpt #: 365 total cpu time spent up to now is 1043.7 secs Computing kpt #: 366 total cpu time spent up to now is 1046.4 secs Computing kpt #: 367 total cpu time spent up to now is 1049.4 secs Computing kpt #: 368 total cpu time spent up to now is 1052.3 secs Computing kpt #: 369 total cpu time spent up to now is 1055.3 secs Computing kpt #: 370 total cpu time spent up to now is 1058.2 secs Computing kpt #: 371 total cpu time spent up to now is 1061.5 secs Computing kpt #: 372 total cpu time spent up to now is 1064.4 secs Computing kpt #: 373 total cpu time spent up to now is 1067.3 secs Computing kpt #: 374 total cpu time spent up to now is 1070.4 secs Computing kpt #: 375 total cpu time spent up to now is 1073.4 secs Computing kpt #: 376 total cpu time spent up to now is 1076.3 secs Computing kpt #: 377 total cpu time spent up to now is 1079.8 secs Computing kpt #: 378 total cpu time spent up to now is 1082.9 secs Computing kpt #: 379 total cpu time spent up to now is 1086.3 secs Computing kpt #: 380 total cpu time spent up to now is 1089.2 secs Computing kpt #: 381 total cpu time spent up to now is 1092.0 secs Computing kpt #: 382 total cpu time spent up to now is 1094.8 secs Computing kpt #: 383 total cpu time spent up to now is 1097.5 secs Computing kpt #: 384 total cpu time spent up to now is 1100.2 secs Computing kpt #: 385 total cpu time spent up to now is 1102.7 secs Computing kpt #: 386 total cpu time spent up to now is 1105.4 secs Computing kpt #: 387 total cpu time spent up to now is 1108.2 secs Computing kpt #: 388 total cpu time spent up to now is 1111.0 secs Computing kpt #: 389 total cpu time spent up to now is 1113.6 secs Computing kpt #: 390 total cpu time spent up to now is 1116.1 secs Computing kpt #: 391 total cpu time spent up to now is 1118.7 secs Computing kpt #: 392 total cpu time spent up to now is 1121.6 secs Computing kpt #: 393 total cpu time spent up to now is 1124.2 secs Computing kpt #: 394 total cpu time spent up to now is 1126.9 secs Computing kpt #: 395 total cpu time spent up to now is 1129.5 secs Computing kpt #: 396 total cpu time spent up to now is 1132.1 secs Computing kpt #: 397 total cpu time spent up to now is 1134.9 secs Computing kpt #: 398 total cpu time spent up to now is 1137.7 secs Computing kpt #: 399 total cpu time spent up to now is 1140.4 secs Computing kpt #: 400 total cpu time spent up to now is 1143.2 secs Computing kpt #: 401 total cpu time spent up to now is 1146.0 secs Computing kpt #: 402 total cpu time spent up to now is 1148.8 secs Computing kpt #: 403 total cpu time spent up to now is 1151.6 secs Computing kpt #: 404 total cpu time spent up to now is 1154.2 secs Computing kpt #: 405 total cpu time spent up to now is 1157.1 secs Computing kpt #: 406 total cpu time spent up to now is 1159.8 secs Computing kpt #: 407 total cpu time spent up to now is 1162.5 secs Computing kpt #: 408 total cpu time spent up to now is 1165.3 secs Computing kpt #: 409 total cpu time spent up to now is 1168.0 secs Computing kpt #: 410 total cpu time spent up to now is 1170.5 secs Computing kpt #: 411 total cpu time spent up to now is 1173.2 secs Computing kpt #: 412 total cpu time spent up to now is 1175.7 secs Computing kpt #: 413 total cpu time spent up to now is 1178.2 secs Computing kpt #: 414 total cpu time spent up to now is 1180.7 secs Computing kpt #: 415 total cpu time spent up to now is 1183.0 secs Computing kpt #: 416 total cpu time spent up to now is 1185.4 secs Computing kpt #: 417 total cpu time spent up to now is 1187.9 secs Computing kpt #: 418 total cpu time spent up to now is 1190.4 secs Computing kpt #: 419 total cpu time spent up to now is 1192.9 secs Computing kpt #: 420 total cpu time spent up to now is 1195.4 secs Computing kpt #: 421 total cpu time spent up to now is 1198.2 secs Computing kpt #: 422 total cpu time spent up to now is 1200.8 secs Computing kpt #: 423 total cpu time spent up to now is 1203.5 secs Computing kpt #: 424 total cpu time spent up to now is 1206.2 secs Computing kpt #: 425 total cpu time spent up to now is 1208.8 secs Computing kpt #: 426 total cpu time spent up to now is 1211.5 secs Computing kpt #: 427 total cpu time spent up to now is 1214.1 secs Computing kpt #: 428 total cpu time spent up to now is 1216.8 secs ethr = 2.08E-11, avg # of iterations = 44.2 total cpu time spent up to now is 1217.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3407 PWs) bands (ev): -12.2599 -12.2599 -10.6679 -10.6679 -10.5370 -10.5370 -10.4863 -10.4863 -10.1830 -10.1830 -10.1351 -10.1351 0.0822 0.0822 0.9602 0.9602 1.8524 1.8524 2.1586 2.1586 2.8351 2.8351 4.0470 4.0470 4.1145 4.1145 4.3115 4.3115 4.5816 4.5816 4.7307 4.7307 4.7522 4.7522 5.0654 5.0654 5.0846 5.0846 5.3318 5.3318 5.9648 5.9648 6.3183 6.3183 6.3507 6.3507 6.7061 6.7061 11.3988 11.3988 13.9095 13.9095 14.7798 14.7798 15.3839 15.3839 16.4858 16.4858 k = 0.0179 0.0044-0.0045 ( 3410 PWs) bands (ev): -12.2592 -12.2592 -10.6760 -10.6760 -10.5380 -10.5380 -10.4783 -10.4783 -10.1838 -10.1838 -10.1340 -10.1340 0.0826 0.0826 0.9586 0.9586 1.8488 1.8488 2.1647 2.1647 2.8361 2.8361 4.0445 4.0445 4.1121 4.1121 4.3146 4.3146 4.5768 4.5768 4.7306 4.7306 4.7585 4.7585 5.0664 5.0664 5.0848 5.0848 5.3317 5.3317 5.9641 5.9641 6.3152 6.3152 6.3499 6.3499 6.7058 6.7058 11.4025 11.4025 13.9075 13.9075 14.7786 14.7786 15.3857 15.3857 16.4831 16.4831 k = 0.0357 0.0088-0.0090 ( 3403 PWs) bands (ev): -12.2571 -12.2571 -10.6974 -10.6974 -10.5395 -10.5395 -10.4584 -10.4584 -10.1859 -10.1859 -10.1308 -10.1308 0.0838 0.0838 0.9536 0.9536 1.8389 1.8389 2.1823 2.1823 2.8391 2.8391 4.0372 4.0372 4.1048 4.1048 4.3238 4.3238 4.5643 4.5643 4.7305 4.7305 4.7754 4.7754 5.0694 5.0694 5.0857 5.0857 5.3316 5.3316 5.9622 5.9622 6.3059 6.3059 6.3473 6.3473 6.7048 6.7048 11.4135 11.4135 13.9014 13.9014 14.7751 14.7751 15.3909 15.3909 16.4751 16.4751 k = 0.0536 0.0132-0.0135 ( 3407 PWs) bands (ev): -12.2536 -12.2536 -10.7272 -10.7272 -10.5401 -10.5401 -10.4330 -10.4330 -10.1889 -10.1889 -10.1258 -10.1258 0.0857 0.0857 0.9455 0.9455 1.8245 1.8245 2.2091 2.2091 2.8438 2.8438 4.0261 4.0261 4.0932 4.0932 4.3381 4.3381 4.5473 4.5473 4.7304 4.7304 4.7992 4.7992 5.0736 5.0736 5.0877 5.0877 5.3313 5.3313 5.9589 5.9589 6.2905 6.2905 6.3432 6.3432 6.7032 6.7032 11.4318 11.4318 13.8915 13.8915 14.7694 14.7694 15.3995 15.3995 16.4626 16.4626 k = 0.0714 0.0176-0.0181 ( 3401 PWs) bands (ev): -12.2487 -12.2487 -10.7618 -10.7618 -10.5401 -10.5401 -10.4058 -10.4058 -10.1924 -10.1924 -10.1194 -10.1194 0.0883 0.0883 0.9346 0.9346 1.8075 1.8075 2.2432 2.2432 2.8503 2.8503 4.0121 4.0121 4.0780 4.0780 4.3563 4.3563 4.5283 4.5283 4.7302 4.7302 4.8269 4.8269 5.0776 5.0776 5.0924 5.0924 5.3309 5.3309 5.9543 5.9543 6.2693 6.2693 6.3374 6.3374 6.7010 6.7010 11.4571 11.4571 13.8777 13.8777 14.7616 14.7616 15.4110 15.4110 16.4462 16.4462 k = 0.0893 0.0220-0.0226 ( 3403 PWs) bands (ev): -12.2424 -12.2424 -10.7994 -10.7994 -10.5396 -10.5396 -10.3786 -10.3786 -10.1959 -10.1959 -10.1118 -10.1118 0.0916 0.0916 0.9212 0.9212 1.7895 1.7895 2.2826 2.2826 2.8581 2.8581 3.9963 3.9963 4.0601 4.0601 4.3777 4.3777 4.5087 4.5087 4.7301 4.7301 4.8566 4.8566 5.0801 5.0801 5.1008 5.1008 5.3304 5.3304 5.9485 5.9485 6.2426 6.2426 6.3301 6.3301 6.6982 6.6982 11.4891 11.4891 13.8605 13.8605 14.7518 14.7518 15.4250 15.4250 16.4270 16.4270 k = 0.1071 0.0264-0.0271 ( 3410 PWs) bands (ev): -12.2348 -12.2348 -10.8387 -10.8387 -10.5387 -10.5387 -10.3529 -10.3529 -10.1992 -10.1992 -10.1028 -10.1028 0.0954 0.0954 0.9057 0.9057 1.7714 1.7714 2.3259 2.3259 2.8670 2.8670 3.9794 3.9794 4.0406 4.0406 4.4012 4.4012 4.4890 4.4890 4.7299 4.7299 4.8871 4.8871 5.0815 5.0815 5.1124 5.1124 5.3298 5.3298 5.9414 5.9414 6.2105 6.2105 6.3213 6.3213 6.6948 6.6948 11.5276 11.5276 13.8401 13.8401 14.7402 14.7402 15.4412 15.4412 16.4058 16.4058 k = 0.1250 0.0308-0.0316 ( 3416 PWs) bands (ev): -12.2258 -12.2258 -10.8793 -10.8793 -10.5375 -10.5375 -10.3295 -10.3295 -10.2017 -10.2017 -10.0925 -10.0925 0.0997 0.0997 0.8887 0.8887 1.7538 1.7538 2.3719 2.3719 2.8768 2.8768 3.9619 3.9619 4.0204 4.0204 4.4261 4.4261 4.4698 4.4698 4.7297 4.7297 4.9173 4.9173 5.0825 5.0825 5.1263 5.1263 5.3291 5.3291 5.9332 5.9332 6.1737 6.1737 6.3113 6.3113 6.6909 6.6909 11.5721 11.5721 13.8169 13.8169 14.7268 14.7268 15.4589 15.4589 16.3837 16.3837 k = 0.1429 0.0352-0.0361 ( 3412 PWs) bands (ev): -12.2154 -12.2154 -10.9207 -10.9207 -10.5361 -10.5361 -10.3096 -10.3096 -10.2029 -10.2029 -10.0808 -10.0808 0.1043 0.1043 0.8706 0.8706 1.7373 1.7373 2.4195 2.4195 2.8875 2.8875 3.9443 3.9443 4.0007 4.0007 4.4443 4.4443 4.4586 4.4586 4.7295 4.7295 4.9468 4.9468 5.0833 5.0833 5.1420 5.1420 5.3284 5.3284 5.9238 5.9238 6.1325 6.1325 6.3001 6.3001 6.6864 6.6864 11.6223 11.6223 13.7911 13.7911 14.7116 14.7116 15.4779 15.4779 16.3613 16.3613 k = 0.1607 0.0397-0.0406 ( 3409 PWs) bands (ev): -12.2037 -12.2037 -10.9627 -10.9627 -10.5344 -10.5344 -10.2940 -10.2940 -10.2021 -10.2021 -10.0676 -10.0676 0.1092 0.1092 0.8518 0.8518 1.7219 1.7219 2.4675 2.4675 2.8990 2.8990 3.9268 3.9268 3.9824 3.9824 4.4285 4.4285 4.4824 4.4824 4.7293 4.7293 4.9750 4.9750 5.0839 5.0839 5.1592 5.1592 5.3275 5.3275 5.9134 5.9134 6.0874 6.0874 6.2879 6.2879 6.6815 6.6815 11.6776 11.6776 13.7632 13.7632 14.6948 14.6948 15.4976 15.4976 16.3392 16.3392 k = 0.1786 0.0441-0.0451 ( 3416 PWs) bands (ev): -12.1906 -12.1906 -11.0051 -11.0051 -10.5326 -10.5326 -10.2833 -10.2833 -10.1990 -10.1990 -10.0529 -10.0529 0.1141 0.1141 0.8328 0.8328 1.7080 1.7080 2.5145 2.5145 2.9118 2.9118 3.9096 3.9096 3.9664 3.9664 4.4093 4.4093 4.5104 4.5104 4.7291 4.7291 5.0018 5.0018 5.0845 5.0845 5.1773 5.1773 5.3266 5.3266 5.9019 5.9019 6.0390 6.0390 6.2748 6.2748 6.6762 6.6762 11.7376 11.7376 13.7334 13.7334 14.6763 14.6763 15.5177 15.5177 16.3178 16.3178 k = 0.1964 0.0485-0.0497 ( 3424 PWs) bands (ev): -12.1762 -12.1762 -11.0477 -11.0477 -10.5306 -10.5306 -10.2775 -10.2775 -10.1936 -10.1936 -10.0368 -10.0368 0.1190 0.1190 0.8139 0.8139 1.6956 1.6956 2.5587 2.5587 2.9269 2.9269 3.8929 3.8929 3.9535 3.9535 4.3896 4.3896 4.5390 4.5390 4.7291 4.7291 5.0269 5.0269 5.0849 5.0849 5.1959 5.1959 5.3257 5.3257 5.8894 5.8894 5.9879 5.9879 6.2612 6.2612 6.6705 6.6705 11.8019 11.8019 13.7022 13.7022 14.6560 14.6560 15.5378 15.5378 16.2973 16.2973 k = 0.2143 0.0529-0.0542 ( 3422 PWs) bands (ev): -12.1605 -12.1605 -11.0905 -11.0905 -10.5284 -10.5284 -10.2756 -10.2756 -10.1867 -10.1867 -10.0197 -10.0197 0.1237 0.1237 0.7955 0.7955 1.6848 1.6848 2.5979 2.5979 2.9457 2.9457 3.8768 3.8768 3.9442 3.9442 4.3696 4.3696 4.5678 4.5678 4.7291 4.7291 5.0503 5.0503 5.0853 5.0853 5.2143 5.2143 5.3247 5.3247 5.8759 5.8759 5.9351 5.9351 6.2471 6.2471 6.6644 6.6644 11.8698 11.8698 13.6699 13.6699 14.6340 14.6340 15.5576 15.5576 16.2774 16.2774 k = 0.2321 0.0573-0.0587 ( 3422 PWs) bands (ev): -12.1436 -12.1436 -11.1332 -11.1332 -10.5261 -10.5261 -10.2763 -10.2763 -10.1793 -10.1793 -10.0018 -10.0018 0.1281 0.1281 0.7779 0.7779 1.6757 1.6757 2.6295 2.6295 2.9704 2.9704 3.8614 3.8614 3.9388 3.9388 4.3494 4.3494 4.5967 4.5967 4.7294 4.7294 5.0720 5.0720 5.0855 5.0855 5.2318 5.2318 5.3236 5.3236 5.8598 5.8598 5.8828 5.8828 6.2328 6.2328 6.6581 6.6581 11.9409 11.9409 13.6368 13.6368 14.6104 14.6104 15.5769 15.5769 16.2579 16.2579 k = 0.2500 0.0617-0.0632 ( 3422 PWs) bands (ev): -12.1253 -12.1253 -11.1758 -11.1758 -10.5237 -10.5237 -10.2786 -10.2786 -10.1722 -10.1722 -9.9835 -9.9835 0.1321 0.1321 0.7614 0.7614 1.6683 1.6683 2.6516 2.6516 3.0025 3.0025 3.8467 3.8467 3.9375 3.9375 4.3288 4.3288 4.6251 4.6251 4.7302 4.7302 5.0849 5.0849 5.0928 5.0928 5.2476 5.2476 5.3226 5.3226 5.8217 5.8217 5.8515 5.8515 6.2186 6.2186 6.6515 6.6515 12.0147 12.0147 13.6030 13.6030 14.5850 14.5850 15.5955 15.5955 16.2379 16.2379 k = 0.2679 0.0661-0.0677 ( 3422 PWs) bands (ev): -12.1058 -12.1058 -11.2182 -11.2182 -10.5212 -10.5212 -10.2819 -10.2819 -10.1655 -10.1655 -9.9653 -9.9653 0.1355 0.1355 0.7462 0.7462 1.6626 1.6626 2.6635 2.6635 3.0425 3.0425 3.8330 3.8330 3.9401 3.9401 4.3078 4.3078 4.6524 4.6524 4.7318 4.7318 5.0848 5.0848 5.1113 5.1113 5.2609 5.2609 5.3216 5.3216 5.7687 5.7687 5.8353 5.8353 6.2047 6.2047 6.6448 6.6448 12.0907 12.0907 13.5688 13.5688 14.5582 14.5582 15.6133 15.6133 16.2168 16.2168 k = 0.2857 0.0705-0.0722 ( 3424 PWs) bands (ev): -12.0851 -12.0851 -11.2604 -11.2604 -10.5187 -10.5187 -10.2858 -10.2858 -10.1595 -10.1595 -9.9475 -9.9475 0.1383 0.1383 0.7323 0.7323 1.6586 1.6586 2.6661 2.6661 3.0897 3.0897 3.8200 3.8200 3.9462 3.9462 4.2865 4.2865 4.6775 4.6775 4.7355 4.7355 5.0843 5.0843 5.1286 5.1286 5.2706 5.2706 5.3206 5.3206 5.7165 5.7165 5.8199 5.8199 6.1912 6.1912 6.6380 6.6380 12.1683 12.1683 13.5342 13.5342 14.5300 14.5300 15.6302 15.6302 16.1937 16.1937 k = 0.3036 0.0749-0.0767 ( 3420 PWs) bands (ev): -12.0632 -12.0632 -11.3021 -11.3021 -10.5161 -10.5161 -10.2899 -10.2899 -10.1542 -10.1542 -9.9304 -9.9304 0.1406 0.1406 0.7199 0.7199 1.6561 1.6561 2.6611 2.6611 3.1425 3.1425 3.8080 3.8080 3.9550 3.9550 4.2651 4.2651 4.6971 4.6971 4.7440 4.7440 5.0833 5.0833 5.1446 5.1446 5.2756 5.2756 5.3196 5.3196 5.6675 5.6675 5.8046 5.8046 6.1785 6.1785 6.6313 6.6313 12.2469 12.2469 13.4994 13.4994 14.5007 14.5007 15.6463 15.6463 16.1684 16.1684 k = 0.3214 0.0793-0.0813 ( 3419 PWs) bands (ev): -12.0402 -12.0402 -11.3435 -11.3435 -10.5135 -10.5135 -10.2941 -10.2941 -10.1494 -10.1494 -9.9141 -9.9141 0.1422 0.1422 0.7090 0.7090 1.6552 1.6552 2.6504 2.6504 3.1993 3.1993 3.7970 3.7970 3.9656 3.9656 4.2438 4.2438 4.7084 4.7084 4.7604 4.7604 5.0819 5.0819 5.1590 5.1590 5.2747 5.2747 5.3186 5.3186 5.6236 5.6236 5.7895 5.7895 6.1667 6.1667 6.6246 6.6246 12.3262 12.3262 13.4643 13.4643 14.4708 14.4708 15.6617 15.6617 16.1409 16.1409 k = 0.3393 0.0837-0.0858 ( 3418 PWs) bands (ev): -12.0161 -12.0161 -11.3843 -11.3843 -10.5109 -10.5109 -10.2983 -10.2983 -10.1453 -10.1453 -9.8989 -9.8989 0.1432 0.1432 0.6996 0.6996 1.6557 1.6557 2.6359 2.6359 3.2586 3.2586 3.7869 3.7869 3.9765 3.9765 4.2233 4.2233 4.7134 4.7134 4.7822 4.7822 5.0800 5.0800 5.1718 5.1718 5.2668 5.2668 5.3174 5.3174 5.5868 5.5868 5.7747 5.7747 6.1559 6.1559 6.6181 6.6181 12.4055 12.4055 13.4288 13.4288 14.4405 14.4405 15.6765 15.6765 16.1116 16.1116 k = 0.3571 0.0881-0.0903 ( 3419 PWs) bands (ev): -11.9910 -11.9910 -11.4244 -11.4244 -10.5085 -10.5085 -10.3023 -10.3023 -10.1417 -10.1417 -9.8850 -9.8850 0.1437 0.1437 0.6916 0.6916 1.6573 1.6573 2.6189 2.6189 3.3194 3.3194 3.7779 3.7779 3.9858 3.9858 4.2046 4.2046 4.7156 4.7156 4.8058 4.8058 5.0776 5.0776 5.1823 5.1823 5.2522 5.2522 5.3163 5.3163 5.5581 5.5581 5.7605 5.7605 6.1463 6.1463 6.6119 6.6119 12.4843 12.4843 13.3927 13.3927 14.4105 14.4105 15.6910 15.6910 16.0813 16.0813 k = 0.3750 0.0925-0.0948 ( 3419 PWs) bands (ev): -11.9650 -11.9650 -11.4638 -11.4638 -10.5061 -10.5061 -10.3061 -10.3061 -10.1386 -10.1386 -9.8725 -9.8725 0.1437 0.1437 0.6849 0.6849 1.6599 1.6599 2.6008 2.6008 3.3807 3.3807 3.7698 3.7698 3.9909 3.9909 4.1893 4.1893 4.7166 4.7166 4.8292 4.8292 5.0746 5.0746 5.1881 5.1881 5.2339 5.2339 5.3153 5.3153 5.5374 5.5374 5.7471 5.7471 6.1379 6.1379 6.6062 6.6062 12.5622 12.5622 13.3557 13.3557 14.3813 14.3813 15.7052 15.7052 16.0505 16.0505 k = 0.3929 0.0969-0.0993 ( 3421 PWs) bands (ev): -11.9381 -11.9381 -11.5022 -11.5022 -10.5040 -10.5040 -10.3095 -10.3095 -10.1359 -10.1359 -9.8615 -9.8615 0.1434 0.1434 0.6795 0.6795 1.6631 1.6631 2.5827 2.5827 3.4418 3.4418 3.7628 3.7628 3.9887 3.9887 4.1796 4.1796 4.7172 4.7172 4.8517 4.8517 5.0711 5.0711 5.1807 5.1807 5.2228 5.2228 5.3144 5.3144 5.5236 5.5236 5.7347 5.7347 6.1309 6.1309 6.6009 6.6009 12.6384 12.6384 13.3176 13.3176 14.3536 14.3536 15.7194 15.7194 16.0202 16.0202 k = 0.4107 0.1013-0.1038 ( 3418 PWs) bands (ev): -11.9107 -11.9107 -11.5395 -11.5395 -10.5020 -10.5020 -10.3126 -10.3126 -10.1337 -10.1337 -9.8521 -9.8521 0.1429 0.1429 0.6752 0.6752 1.6667 1.6667 2.5657 2.5657 3.5018 3.5018 3.7569 3.7569 3.9774 3.9774 4.1765 4.1765 4.7175 4.7175 4.8725 4.8725 5.0670 5.0670 5.1580 5.1580 5.2239 5.2239 5.3136 5.3136 5.5146 5.5146 5.7237 5.7237 6.1250 6.1250 6.5963 6.5963 12.7127 12.7127 13.2778 13.2778 14.3283 14.3283 15.7336 15.7336 15.9909 15.9909 k = 0.4286 0.1057-0.1083 ( 3420 PWs) bands (ev): -11.8830 -11.8830 -11.5753 -11.5753 -10.5004 -10.5004 -10.3152 -10.3152 -10.1320 -10.1320 -9.8442 -9.8442 0.1423 0.1423 0.6718 0.6718 1.6702 1.6702 2.5504 2.5504 3.5599 3.5599 3.7520 3.7520 3.9570 3.9570 4.1788 4.1788 4.7176 4.7176 4.8912 4.8912 5.0625 5.0625 5.1317 5.1317 5.2285 5.2285 5.3130 5.3130 5.5090 5.5090 5.7142 5.7142 6.1204 6.1204 6.5923 6.5923 12.7844 12.7844 13.2360 13.2360 14.3061 14.3061 15.7478 15.7478 15.9635 15.9635 k = 0.4464 0.1101-0.1129 ( 3416 PWs) bands (ev): -11.8558 -11.8558 -11.6088 -11.6088 -10.4990 -10.4990 -10.3173 -10.3173 -10.1306 -10.1306 -9.8381 -9.8381 0.1417 0.1417 0.6693 0.6693 1.6734 1.6734 2.5377 2.5377 3.6151 3.6151 3.7482 3.7482 3.9297 3.9297 4.1842 4.1842 4.7177 4.7177 4.9071 4.9071 5.0580 5.0580 5.1078 5.1078 5.2329 5.2329 5.3125 5.3125 5.5054 5.5054 5.7065 5.7065 6.1169 6.1169 6.5891 6.5891 12.8531 12.8531 13.1916 13.1916 14.2878 14.2878 15.7617 15.7617 15.9387 15.9387 k = 0.4643 0.1145-0.1174 ( 3414 PWs) bands (ev): -11.8305 -11.8305 -11.6386 -11.6386 -10.4980 -10.4980 -10.3189 -10.3189 -10.1296 -10.1296 -9.8337 -9.8337 0.1412 0.1412 0.6676 0.6676 1.6760 1.6760 2.5282 2.5282 3.6653 3.6653 3.7455 3.7455 3.8985 3.8985 4.1901 4.1901 4.7177 4.7177 4.9195 4.9195 5.0540 5.0540 5.0890 5.0890 5.2363 5.2363 5.3122 5.3122 5.5033 5.5033 5.7009 5.7009 6.1145 6.1145 6.5868 6.5868 12.9185 12.9185 13.1443 13.1443 14.2742 14.2742 15.7744 15.7744 15.9179 15.9179 k = 0.4821 0.1190-0.1219 ( 3409 PWs) bands (ev): -11.8105 -11.8105 -11.6612 -11.6612 -10.4974 -10.4974 -10.3198 -10.3198 -10.1291 -10.1291 -9.8311 -9.8311 0.1409 0.1409 0.6666 0.6666 1.6776 1.6776 2.5223 2.5223 3.7059 3.7059 3.7440 3.7440 3.8691 3.8691 4.1943 4.1943 4.7178 4.7178 4.9275 4.9275 5.0511 5.0511 5.0770 5.0770 5.2384 5.2384 5.3119 5.3119 5.5022 5.5022 5.6974 5.6974 6.1131 6.1131 6.5854 6.5854 12.9801 12.9801 13.0939 13.0939 14.2658 14.2658 15.7842 15.7842 15.9032 15.9032 k = 0.5000 0.1234-0.1264 ( 3410 PWs) bands (ev): -11.8024 -11.8024 -11.6703 -11.6703 -10.4972 -10.4972 -10.3201 -10.3201 -10.1289 -10.1289 -9.8302 -9.8302 0.1408 0.1408 0.6663 0.6663 1.6782 1.6782 2.5203 2.5203 3.7236 3.7236 3.7436 3.7436 3.8550 3.8550 4.1959 4.1959 4.7178 4.7178 4.9302 4.9302 5.0501 5.0501 5.0729 5.0729 5.2391 5.2391 5.3119 5.3119 5.5018 5.5018 5.6963 5.6963 6.1126 6.1126 6.5849 6.5849 13.0305 13.0305 13.0473 13.0473 14.2629 14.2629 15.7880 15.7880 15.8977 15.8977 k = 0.5000 0.1234-0.1264 ( 3410 PWs) bands (ev): -11.8024 -11.8024 -11.6703 -11.6703 -10.4972 -10.4972 -10.3201 -10.3201 -10.1289 -10.1289 -9.8302 -9.8302 0.1408 0.1408 0.6663 0.6663 1.6782 1.6782 2.5203 2.5203 3.7236 3.7236 3.7436 3.7436 3.8550 3.8550 4.1959 4.1959 4.7178 4.7178 4.9302 4.9302 5.0501 5.0501 5.0729 5.0729 5.2391 5.2391 5.3119 5.3119 5.5018 5.5018 5.6963 5.6963 6.1126 6.1126 6.5849 6.5849 13.0305 13.0305 13.0473 13.0473 14.2629 14.2629 15.7880 15.7880 15.8977 15.8977 k = 0.5045 0.1245-0.1077 ( 3410 PWs) bands (ev): -11.8019 -11.8019 -11.6697 -11.6697 -10.5014 -10.5014 -10.3187 -10.3187 -10.1277 -10.1277 -9.8299 -9.8299 0.1426 0.1426 0.6676 0.6676 1.6790 1.6790 2.5216 2.5216 3.7184 3.7184 3.7440 3.7440 3.8534 3.8534 4.1974 4.1974 4.7166 4.7166 4.9298 4.9298 5.0504 5.0504 5.0718 5.0718 5.2357 5.2357 5.3126 5.3126 5.5036 5.5036 5.6963 5.6963 6.1121 6.1121 6.5858 6.5858 13.0298 13.0298 13.0522 13.0522 14.2643 14.2643 15.7827 15.7827 15.9004 15.9004 k = 0.5089 0.1256-0.0890 ( 3405 PWs) bands (ev): -11.8005 -11.8005 -11.6678 -11.6678 -10.5134 -10.5134 -10.3153 -10.3153 -10.1240 -10.1240 -9.8291 -9.8291 0.1478 0.1478 0.6717 0.6717 1.6813 1.6813 2.5256 2.5256 3.7035 3.7035 3.7454 3.7454 3.8484 3.8484 4.2015 4.2015 4.7131 4.7131 4.9285 4.9285 5.0512 5.0512 5.0684 5.0684 5.2258 5.2258 5.3148 5.3148 5.5087 5.5087 5.6965 5.6965 6.1108 6.1108 6.5884 6.5884 13.0302 13.0302 13.0646 13.0646 14.2684 14.2684 15.7682 15.7682 15.9072 15.9072 k = 0.5134 0.1267-0.0703 ( 3403 PWs) bands (ev): -11.7982 -11.7982 -11.6647 -11.6647 -10.5316 -10.5316 -10.3115 -10.3115 -10.1177 -10.1177 -9.8277 -9.8277 0.1565 0.1565 0.6784 0.6784 1.6853 1.6853 2.5321 2.5321 3.6802 3.6802 3.7479 3.7479 3.8394 3.8394 4.2076 4.2076 4.7073 4.7073 4.9264 4.9264 5.0526 5.0526 5.0631 5.0631 5.2104 5.2104 5.3183 5.3183 5.5164 5.5164 5.6968 5.6968 6.1087 6.1087 6.5926 6.5926 13.0337 13.0337 13.0820 13.0820 14.2753 14.2753 15.7466 15.7466 15.9157 15.9157 k = 0.5178 0.1278-0.0516 ( 3413 PWs) bands (ev): -11.7950 -11.7950 -11.6603 -11.6603 -10.5543 -10.5543 -10.3089 -10.3089 -10.1090 -10.1090 -9.8259 -9.8259 0.1687 0.1687 0.6878 0.6878 1.6908 1.6908 2.5412 2.5412 3.6500 3.6500 3.7513 3.7513 3.8258 3.8258 4.2146 4.2146 4.6994 4.6994 4.9236 4.9236 5.0534 5.0534 5.0567 5.0567 5.1904 5.1904 5.3231 5.3231 5.5259 5.5259 5.6972 5.6972 6.1059 6.1059 6.5982 6.5982 13.0409 13.0409 13.1040 13.1040 14.2849 14.2849 15.7196 15.7196 15.9243 15.9243 k = 0.5223 0.1289-0.0329 ( 3415 PWs) bands (ev): -11.7909 -11.7909 -11.6546 -11.6546 -10.5802 -10.5802 -10.3084 -10.3084 -10.0979 -10.0979 -9.8236 -9.8236 0.1842 0.1842 0.6998 0.6998 1.6977 1.6977 2.5526 2.5526 3.6144 3.6144 3.7558 3.7558 3.8075 3.8075 4.2213 4.2213 4.6894 4.6894 4.9200 4.9200 5.0455 5.0455 5.0575 5.0575 5.1670 5.1670 5.3288 5.3288 5.5365 5.5365 5.6977 5.6977 6.1026 6.1026 6.6053 6.6053 13.0516 13.0516 13.1303 13.1303 14.2971 14.2971 15.6881 15.6881 15.9322 15.9322 k = 0.5267 0.1300-0.0142 ( 3417 PWs) bands (ev): -11.7859 -11.7859 -11.6478 -11.6478 -10.6084 -10.6084 -10.3106 -10.3106 -10.0849 -10.0849 -9.8208 -9.8208 0.2031 0.2031 0.7144 0.7144 1.7061 1.7061 2.5661 2.5661 3.5746 3.5746 3.7612 3.7612 3.7845 3.7845 4.2266 4.2266 4.6775 4.6775 4.9159 4.9159 5.0342 5.0342 5.0602 5.0602 5.1413 5.1413 5.3355 5.3355 5.5475 5.5475 5.6984 5.6984 6.0989 6.0989 6.6135 6.6135 13.0657 13.0657 13.1606 13.1606 14.3118 14.3118 15.6525 15.6525 15.9389 15.9389 k = 0.5312 0.1311 0.0045 ( 3415 PWs) bands (ev): -11.7802 -11.7802 -11.6397 -11.6397 -10.6381 -10.6381 -10.3154 -10.3154 -10.0704 -10.0704 -9.8176 -9.8176 0.2252 0.2252 0.7316 0.7316 1.7159 1.7159 2.5815 2.5815 3.5315 3.5315 3.7568 3.7568 3.7678 3.7678 4.2295 4.2295 4.6639 4.6639 4.9113 4.9113 5.0207 5.0207 5.0634 5.0634 5.1145 5.1145 5.3428 5.3428 5.5587 5.5587 5.6992 5.6992 6.0950 6.0950 6.6228 6.6228 13.0829 13.0829 13.1947 13.1947 14.3290 14.3290 15.6131 15.6131 15.9443 15.9443 k = 0.5356 0.1321 0.0232 ( 3412 PWs) bands (ev): -11.7737 -11.7737 -11.6304 -11.6304 -10.6690 -10.6690 -10.3226 -10.3226 -10.0552 -10.0552 -9.8141 -9.8141 0.2504 0.2504 0.7512 0.7512 1.7268 1.7268 2.5986 2.5986 3.4859 3.4859 3.7254 3.7254 3.7751 3.7751 4.2292 4.2292 4.6486 4.6486 4.9062 4.9062 5.0046 5.0046 5.0667 5.0667 5.0882 5.0882 5.3507 5.3507 5.5695 5.5695 5.7001 5.7001 6.0912 6.0912 6.6328 6.6328 13.1029 13.1029 13.2324 13.2324 14.3485 14.3485 15.5704 15.5704 15.9484 15.9484 k = 0.5401 0.1332 0.0418 ( 3413 PWs) bands (ev): -11.7666 -11.7666 -11.6199 -11.6199 -10.7006 -10.7006 -10.3320 -10.3320 -10.0395 -10.0395 -9.8103 -9.8103 0.2787 0.2787 0.7733 0.7733 1.7389 1.7389 2.6168 2.6168 3.4386 3.4386 3.6901 3.6901 3.7835 3.7835 4.2253 4.2253 4.6320 4.6320 4.9007 4.9007 4.9848 4.9848 5.0628 5.0628 5.0716 5.0716 5.3590 5.3590 5.5799 5.5799 5.7012 5.7012 6.0877 6.0877 6.6435 6.6435 13.1255 13.1255 13.2735 13.2735 14.3701 14.3701 15.5246 15.5246 15.9514 15.9514 k = 0.5445 0.1343 0.0605 ( 3410 PWs) bands (ev): -11.7589 -11.7589 -11.6083 -11.6083 -10.7326 -10.7326 -10.3433 -10.3433 -10.0240 -10.0240 -9.8062 -9.8062 0.3099 0.3099 0.7977 0.7977 1.7519 1.7519 2.6356 2.6356 3.3903 3.3903 3.6516 3.6516 3.7928 3.7928 4.2172 4.2172 4.6141 4.6141 4.8949 4.8949 4.9603 4.9603 5.0427 5.0427 5.0751 5.0751 5.3675 5.3675 5.5897 5.5897 5.7025 5.7025 6.0848 6.0848 6.6546 6.6546 13.1502 13.1502 13.3176 13.3176 14.3939 14.3939 15.4762 15.4762 15.9533 15.9533 k = 0.5490 0.1354 0.0792 ( 3413 PWs) bands (ev): -11.7507 -11.7507 -11.5954 -11.5954 -10.7647 -10.7647 -10.3562 -10.3562 -10.0088 -10.0088 -9.8018 -9.8018 0.3439 0.3439 0.8245 0.8245 1.7656 1.7656 2.6543 2.6543 3.3418 3.3418 3.6104 3.6104 3.8030 3.8030 4.2049 4.2049 4.5952 4.5952 4.8887 4.8887 4.9315 4.9315 5.0264 5.0264 5.0792 5.0792 5.3761 5.3761 5.5986 5.5986 5.7040 5.7040 6.0826 6.0826 6.6660 6.6660 13.1765 13.1765 13.3645 13.3645 14.4194 14.4194 15.4257 15.4257 15.9543 15.9543 k = 0.5535 0.1365 0.0979 ( 3411 PWs) bands (ev): -11.7421 -11.7421 -11.5815 -11.5815 -10.7967 -10.7967 -10.3705 -10.3705 -9.9943 -9.9943 -9.7973 -9.7973 0.3805 0.3805 0.8534 0.8534 1.7797 1.7797 2.6720 2.6720 3.2941 3.2941 3.5670 3.5670 3.8141 3.8141 4.1884 4.1884 4.5753 4.5753 4.8820 4.8820 4.8994 4.8994 5.0136 5.0136 5.0835 5.0835 5.3846 5.3846 5.6066 5.6066 5.7057 5.7057 6.0814 6.0814 6.6776 6.6776 13.2042 13.2042 13.4139 13.4139 14.4466 14.4466 15.3735 15.3735 15.9545 15.9545 k = 0.5579 0.1376 0.1166 ( 3411 PWs) bands (ev): -11.7334 -11.7334 -11.5664 -11.5664 -10.8282 -10.8282 -10.3860 -10.3860 -9.9806 -9.9806 -9.7926 -9.7926 0.4196 0.4196 0.8844 0.8844 1.7939 1.7939 2.6873 2.6873 3.2484 3.2484 3.5222 3.5222 3.8261 3.8261 4.1681 4.1681 4.5546 4.5546 4.8637 4.8637 4.8768 4.8768 5.0034 5.0034 5.0879 5.0879 5.3929 5.3929 5.6135 5.6135 5.7075 5.7075 6.0815 6.0815 6.6893 6.6893 13.2326 13.2326 13.4654 13.4654 14.4753 14.4753 15.3204 15.3204 15.9540 15.9540 k = 0.5624 0.1387 0.1353 ( 3411 PWs) bands (ev): -11.7245 -11.7245 -11.5503 -11.5503 -10.8591 -10.8591 -10.4026 -10.4026 -9.9679 -9.9679 -9.7877 -9.7877 0.4610 0.4610 0.9174 0.9174 1.8078 1.8078 2.6986 2.6986 3.2061 3.2061 3.4766 3.4766 3.8390 3.8390 4.1442 4.1442 4.5332 4.5332 4.8287 4.8287 4.8695 4.8695 4.9951 4.9951 5.0924 5.0924 5.4010 5.4010 5.6193 5.6193 5.7096 5.7096 6.0829 6.0829 6.7008 6.7008 13.2613 13.2613 13.5187 13.5187 14.5051 14.5051 15.2668 15.2668 15.9527 15.9527 k = 0.5668 0.1398 0.1540 ( 3418 PWs) bands (ev): -11.7158 -11.7158 -11.5331 -11.5331 -10.8889 -10.8889 -10.4201 -10.4201 -9.9563 -9.9563 -9.7828 -9.7828 0.5044 0.5044 0.9522 0.9522 1.8209 1.8209 2.7039 2.7039 3.1693 3.1693 3.4311 3.4311 3.8527 3.8527 4.1173 4.1173 4.5113 4.5113 4.7929 4.7929 4.8625 4.8625 4.9882 4.9882 5.0969 5.0969 5.4087 5.4087 5.6238 5.6238 5.7118 5.7118 6.0859 6.0859 6.7121 6.7121 13.2897 13.2897 13.5735 13.5735 14.5357 14.5357 15.2137 15.2137 15.9508 15.9508 k = 0.5713 0.1409 0.1727 ( 3411 PWs) bands (ev): -11.7075 -11.7075 -11.5149 -11.5149 -10.9175 -10.9175 -10.4383 -10.4383 -9.9458 -9.9458 -9.7778 -9.7778 0.5496 0.5496 0.9887 0.9887 1.8325 1.8325 2.7007 2.7007 3.1399 3.1399 3.3866 3.3866 3.8673 3.8673 4.0880 4.0880 4.4890 4.4890 4.7576 4.7576 4.8553 4.8553 4.9822 4.9822 5.1014 5.1014 5.4161 5.4161 5.6271 5.6271 5.7143 5.7143 6.0904 6.0904 6.7231 6.7231 13.3172 13.3172 13.6295 13.6295 14.5667 14.5667 15.1618 15.1618 15.9482 15.9482 k = 0.5757 0.1420 0.1914 ( 3411 PWs) bands (ev): -11.6998 -11.6998 -11.4957 -11.4957 -10.9445 -10.9445 -10.4572 -10.4572 -9.9365 -9.9365 -9.7729 -9.7729 0.5964 0.5964 1.0268 1.0268 1.8420 1.8420 2.6875 2.6875 3.1194 3.1194 3.3442 3.3442 3.8826 3.8826 4.0566 4.0566 4.4663 4.4663 4.7234 4.7234 4.8481 4.8481 4.9767 4.9767 5.1059 5.1059 5.4229 5.4229 5.6292 5.6292 5.7169 5.7169 6.0965 6.0965 6.7338 6.7338 13.3431 13.3431 13.6862 13.6862 14.5974 14.5974 15.1123 15.1123 15.9449 15.9449 k = 0.5802 0.1431 0.2101 ( 3409 PWs) bands (ev): -11.6930 -11.6930 -11.4756 -11.4756 -10.9696 -10.9696 -10.4766 -10.4766 -9.9284 -9.9284 -9.7682 -9.7682 0.6445 0.6445 1.0663 1.0663 1.8486 1.8486 2.6636 2.6636 3.1079 3.1079 3.3052 3.3052 3.8987 3.8987 4.0237 4.0237 4.4435 4.4435 4.6911 4.6911 4.8407 4.8407 4.9717 4.9717 5.1103 5.1103 5.4293 5.4293 5.6301 5.6301 5.7198 5.7198 6.1042 6.1042 6.7441 6.7441 13.3667 13.3667 13.7433 13.7433 14.6269 14.6269 15.0667 15.0667 15.9408 15.9408 k = 0.5846 0.1442 0.2288 ( 3405 PWs) bands (ev): -11.6875 -11.6875 -11.4545 -11.4545 -10.9924 -10.9924 -10.4963 -10.4963 -9.9214 -9.9214 -9.7637 -9.7637 0.6937 0.6937 1.1069 1.1069 1.8513 1.8513 2.6303 2.6303 3.1040 3.1040 3.2707 3.2707 3.9155 3.9155 3.9897 3.9897 4.4205 4.4205 4.6614 4.6614 4.8333 4.8333 4.9667 4.9667 5.1146 5.1146 5.4350 5.4350 5.6299 5.6299 5.7228 5.7228 6.1133 6.1133 6.7538 6.7538 13.3872 13.3872 13.8004 13.8004 14.6536 14.6536 15.0267 15.0267 15.9358 15.9358 k = 0.5891 0.1453 0.2475 ( 3403 PWs) bands (ev): -11.6835 -11.6835 -11.4327 -11.4327 -11.0125 -11.0125 -10.5164 -10.5164 -9.9154 -9.9154 -9.7595 -9.7595 0.7435 0.7435 1.1484 1.1484 1.8493 1.8493 2.5894 2.5894 3.1053 3.1053 3.2421 3.2421 3.9328 3.9328 3.9549 3.9549 4.3976 4.3976 4.6352 4.6352 4.8257 4.8257 4.9618 4.9618 5.1188 5.1188 5.4402 5.4402 5.6286 5.6286 5.7260 5.7260 6.1237 6.1237 6.7630 6.7630 13.4038 13.4038 13.8572 13.8572 14.6756 14.6756 14.9952 14.9952 15.9295 15.9295 k = 0.5935 0.1464 0.2662 ( 3407 PWs) bands (ev): -11.6815 -11.6815 -11.4100 -11.4100 -11.0297 -11.0297 -10.5366 -10.5366 -9.9106 -9.9106 -9.7558 -9.7558 0.7938 0.7938 1.1905 1.1905 1.8419 1.8419 2.5434 2.5434 3.1095 3.1095 3.2206 3.2206 3.9191 3.9191 3.9511 3.9511 4.3747 4.3747 4.6133 4.6133 4.8181 4.8181 4.9566 4.9566 5.1228 5.1228 5.4448 5.4448 5.6265 5.6265 5.7294 5.7294 6.1353 6.1353 6.7715 6.7715 13.4158 13.4158 13.9132 13.9132 14.6900 14.6900 14.9753 14.9753 15.9203 15.9203 k = 0.5980 0.1475 0.2849 ( 3405 PWs) bands (ev): -11.6816 -11.6816 -11.3866 -11.3866 -11.0435 -11.0435 -10.5568 -10.5568 -9.9066 -9.9066 -9.7525 -9.7525 0.8441 0.8441 1.2328 1.2328 1.8283 1.8283 2.4941 2.4941 3.1148 3.1148 3.2066 3.2066 3.8830 3.8830 3.9696 3.9696 4.3521 4.3521 4.5965 4.5965 4.8105 4.8105 4.9512 4.9512 5.1267 5.1267 5.4488 5.4488 5.6235 5.6235 5.7329 5.7329 6.1478 6.1478 6.7793 6.7793 13.4223 13.4223 13.9679 13.9679 14.6949 14.6949 14.9695 14.9695 15.8997 15.8997 k = 0.6025 0.1486 0.3036 ( 3405 PWs) bands (ev): -11.6842 -11.6842 -11.3626 -11.3626 -11.0538 -11.0538 -10.5769 -10.5769 -9.9036 -9.9036 -9.7499 -9.7499 0.8940 0.8940 1.2747 1.2747 1.8082 1.8082 2.4432 2.4432 3.1209 3.1209 3.2000 3.2000 3.8466 3.8466 3.9886 3.9886 4.3298 4.3298 4.5856 4.5856 4.8028 4.8028 4.9456 4.9456 5.1304 5.1304 5.4522 5.4522 5.6199 5.6199 5.7366 5.7366 6.1612 6.1612 6.7864 6.7864 13.4227 13.4227 14.0208 14.0208 14.6906 14.6906 14.9778 14.9778 15.8527 15.8527 k = 0.6025 0.1486 0.3036 ( 3405 PWs) bands (ev): -11.6842 -11.6842 -11.3626 -11.3626 -11.0538 -11.0538 -10.5769 -10.5769 -9.9036 -9.9036 -9.7499 -9.7499 0.8940 0.8940 1.2747 1.2747 1.8082 1.8082 2.4432 2.4432 3.1209 3.1209 3.2000 3.2000 3.8466 3.8466 3.9886 3.9886 4.3298 4.3298 4.5856 4.5856 4.8028 4.8028 4.9456 4.9456 5.1304 5.1304 5.4522 5.4522 5.6199 5.6199 5.7366 5.7366 6.1612 6.1612 6.7864 6.7864 13.4227 13.4227 14.0208 14.0208 14.6906 14.6906 14.9778 14.9778 15.8527 15.8527 k = 0.5911 0.1458 0.3176 ( 3405 PWs) bands (ev): -11.6821 -11.6821 -11.3498 -11.3498 -11.0514 -11.0514 -10.6088 -10.6088 -9.8948 -9.8948 -9.7463 -9.7463 0.9458 0.9458 1.2969 1.2969 1.7956 1.7956 2.4056 2.4056 3.0991 3.0991 3.1971 3.1971 3.8312 3.8312 3.9994 3.9994 4.3113 4.3113 4.5619 4.5619 4.8023 4.8023 4.9482 4.9482 5.1428 5.1428 5.4541 5.4541 5.6139 5.6139 5.7304 5.7304 6.1962 6.1962 6.7912 6.7912 13.4177 13.4177 14.0719 14.0719 14.6653 14.6653 14.9928 14.9928 15.7999 15.7999 k = 0.5797 0.1430 0.3317 ( 3403 PWs) bands (ev): -11.6814 -11.6814 -11.3369 -11.3369 -11.0462 -11.0462 -10.6405 -10.6405 -9.8866 -9.8866 -9.7435 -9.7435 0.9982 0.9982 1.3175 1.3175 1.7778 1.7778 2.3731 2.3731 3.0764 3.0764 3.1941 3.1941 3.8205 3.8205 4.0106 4.0106 4.2932 4.2932 4.5386 4.5386 4.8020 4.8020 4.9516 4.9516 5.1537 5.1537 5.4562 5.4562 5.6086 5.6086 5.7246 5.7246 6.2285 6.2285 6.7952 6.7952 13.4120 13.4120 14.1189 14.1189 14.6445 14.6445 15.0082 15.0082 15.7503 15.7503 k = 0.5683 0.1402 0.3457 ( 3402 PWs) bands (ev): -11.6816 -11.6816 -11.3249 -11.3249 -11.0380 -11.0380 -10.6719 -10.6719 -9.8793 -9.8793 -9.7413 -9.7413 1.0508 1.0508 1.3358 1.3358 1.7553 1.7553 2.3460 2.3460 3.0540 3.0540 3.1912 3.1912 3.8136 3.8136 4.0220 4.0220 4.2757 4.2757 4.5163 4.5163 4.8019 4.8019 4.9554 4.9554 5.1628 5.1628 5.4586 5.4586 5.6041 5.6041 5.7192 5.7192 6.2577 6.2577 6.7983 6.7983 13.4062 13.4062 14.1606 14.1606 14.6288 14.6288 15.0231 15.0231 15.7051 15.7051 k = 0.5569 0.1374 0.3597 ( 3400 PWs) bands (ev): -11.6822 -11.6822 -11.3143 -11.3143 -11.0270 -11.0270 -10.7026 -10.7026 -9.8727 -9.8727 -9.7397 -9.7397 1.1030 1.1030 1.3509 1.3509 1.7288 1.7288 2.3241 2.3241 3.0328 3.0328 3.1886 3.1886 3.8096 3.8096 4.0334 4.0334 4.2592 4.2592 4.4959 4.4959 4.8019 4.8019 4.9592 4.9592 5.1704 5.1704 5.4611 5.4611 5.6002 5.6002 5.7143 5.7143 6.2833 6.2833 6.8006 6.8006 13.4006 13.4006 14.1958 14.1958 14.6184 14.6184 15.0367 15.0367 15.6651 15.6651 k = 0.5455 0.1346 0.3738 ( 3402 PWs) bands (ev): -11.6832 -11.6832 -11.3055 -11.3055 -11.0137 -11.0137 -10.7317 -10.7317 -9.8672 -9.8672 -9.7385 -9.7385 1.1542 1.1542 1.3617 1.3617 1.7002 1.7002 2.3072 2.3072 3.0139 3.0139 3.1864 3.1864 3.8078 3.8078 4.0443 4.0443 4.2439 4.2439 4.4781 4.4781 4.8020 4.8020 4.9627 4.9627 5.1765 5.1765 5.4635 5.4635 5.5970 5.5970 5.7101 5.7101 6.3049 6.3049 6.8022 6.8022 13.3957 13.3957 14.2238 14.2238 14.6132 14.6132 15.0483 15.0483 15.6312 15.6312 k = 0.5342 0.1318 0.3878 ( 3392 PWs) bands (ev): -11.6841 -11.6841 -11.2988 -11.2988 -10.9990 -10.9990 -10.7585 -10.7585 -9.8628 -9.8628 -9.7378 -9.7378 1.2033 1.2033 1.3666 1.3666 1.6719 1.6719 2.2947 2.2947 2.9981 2.9981 3.1847 3.1847 3.8073 3.8073 4.0543 4.0543 4.2306 4.2306 4.4635 4.4635 4.8022 4.8022 4.9657 4.9657 5.1810 5.1810 5.4657 5.4657 5.5945 5.5945 5.7066 5.7066 6.3222 6.3222 6.8033 6.8033 13.3916 13.3916 14.2445 14.2445 14.6121 14.6121 15.0574 15.0574 15.6044 15.6044 k = 0.5228 0.1290 0.4019 ( 3389 PWs) bands (ev): -11.6848 -11.6848 -11.2940 -11.2940 -10.9848 -10.9848 -10.7811 -10.7811 -9.8595 -9.8595 -9.7373 -9.7373 1.2488 1.2488 1.3639 1.3639 1.6474 1.6474 2.2863 2.2863 2.9863 2.9863 3.1834 3.1834 3.8074 3.8074 4.0626 4.0626 4.2199 4.2199 4.4526 4.4526 4.8023 4.8023 4.9679 4.9679 5.1843 5.1843 5.4674 5.4674 5.5927 5.5927 5.7041 5.7041 6.3348 6.3348 6.8039 6.8039 13.3886 13.3886 14.2583 14.2583 14.6134 14.6134 15.0638 15.0638 15.5850 15.5850 k = 0.5114 0.1262 0.4159 ( 3383 PWs) bands (ev): -11.6853 -11.6853 -11.2913 -11.2913 -10.9739 -10.9739 -10.7970 -10.7970 -9.8575 -9.8575 -9.7371 -9.7371 1.2880 1.2880 1.3525 1.3525 1.6305 1.6305 2.2813 2.2813 2.9790 2.9790 3.1827 3.1827 3.8077 3.8077 4.0682 4.0682 4.2129 4.2129 4.4459 4.4459 4.8024 4.8024 4.9693 4.9693 5.1862 5.1862 5.4685 5.4685 5.5916 5.5916 5.7025 5.7025 6.3425 6.3425 6.8043 6.8043 13.3868 13.3868 14.2661 14.2661 14.6153 14.6153 15.0675 15.0675 15.5734 15.5734 k = 0.5000 0.1234 0.4300 ( 3376 PWs) bands (ev): -11.6855 -11.6855 -11.2903 -11.2903 -10.9697 -10.9697 -10.8028 -10.8028 -9.8569 -9.8569 -9.7370 -9.7370 1.3102 1.3102 1.3400 1.3400 1.6245 1.6245 2.2797 2.2797 2.9765 2.9765 3.1824 3.1824 3.8078 3.8078 4.0702 4.0702 4.2104 4.2104 4.4437 4.4437 4.8024 4.8024 4.9698 4.9698 5.1868 5.1868 5.4689 5.4689 5.5912 5.5912 5.7020 5.7020 6.3451 6.3451 6.8044 6.8044 13.3861 13.3861 14.2686 14.2686 14.6161 14.6161 15.0687 15.0687 15.5696 15.5696 k = 0.5000 0.1234 0.4300 ( 3376 PWs) bands (ev): -11.6855 -11.6855 -11.2903 -11.2903 -10.9697 -10.9697 -10.8028 -10.8028 -9.8569 -9.8569 -9.7370 -9.7370 1.3102 1.3102 1.3400 1.3400 1.6245 1.6245 2.2797 2.2797 2.9765 2.9765 3.1824 3.1824 3.8078 3.8078 4.0702 4.0702 4.2104 4.2104 4.4437 4.4437 4.8024 4.8024 4.9698 4.9698 5.1868 5.1868 5.4689 5.4689 5.5912 5.5912 5.7020 5.7020 6.3451 6.3451 6.8044 6.8044 13.3861 13.3861 14.2686 14.2686 14.6161 14.6161 15.0687 15.0687 15.5696 15.5696 k = 0.5046 0.1049 0.4300 ( 3384 PWs) bands (ev): -11.6849 -11.6849 -11.2898 -11.2898 -10.9692 -10.9692 -10.8024 -10.8024 -9.8569 -9.8569 -9.7369 -9.7369 1.3110 1.3110 1.3403 1.3403 1.6246 1.6246 2.2798 2.2798 2.9762 2.9762 3.1828 3.1828 3.8061 3.8061 4.0681 4.0681 4.2073 4.2073 4.4435 4.4435 4.8005 4.8005 4.9676 4.9676 5.1863 5.1863 5.4662 5.4662 5.5927 5.5927 5.7014 5.7014 6.3449 6.3449 6.8043 6.8043 13.3877 13.3877 14.2702 14.2702 14.6183 14.6183 15.0720 15.0720 15.5728 15.5728 k = 0.5091 0.0864 0.4300 ( 3388 PWs) bands (ev): -11.6830 -11.6830 -11.2882 -11.2882 -10.9677 -10.9677 -10.8010 -10.8010 -9.8568 -9.8568 -9.7367 -9.7367 1.3134 1.3134 1.3414 1.3414 1.6251 1.6251 2.2799 2.2799 2.9753 2.9753 3.1839 3.1839 3.8008 3.8008 4.0621 4.0621 4.1982 4.1982 4.4427 4.4427 4.7951 4.7951 4.9612 4.9612 5.1848 5.1848 5.4588 5.4588 5.5967 5.5967 5.6997 5.6997 6.3445 6.3445 6.8042 6.8042 13.3924 13.3924 14.2752 14.2752 14.6249 14.6249 15.0820 15.0820 15.5825 15.5825 k = 0.5137 0.0678 0.4300 ( 3388 PWs) bands (ev): -11.6800 -11.6800 -11.2855 -11.2855 -10.9652 -10.9652 -10.7988 -10.7988 -9.8568 -9.8568 -9.7364 -9.7364 1.3174 1.3174 1.3431 1.3431 1.6259 1.6259 2.2801 2.2801 2.9738 2.9738 3.1858 3.1858 3.7921 3.7921 4.0521 4.0521 4.1833 4.1833 4.4410 4.4410 4.7861 4.7861 4.9504 4.9504 5.1825 5.1825 5.4474 5.4474 5.6024 5.6024 5.6970 5.6970 6.3437 6.3437 6.8040 6.8040 13.4001 13.4001 14.2834 14.2834 14.6359 14.6359 15.0984 15.0984 15.5986 15.5986 k = 0.5183 0.0493 0.4300 ( 3394 PWs) bands (ev): -11.6757 -11.6757 -11.2818 -11.2818 -10.9618 -10.9618 -10.7957 -10.7957 -9.8567 -9.8567 -9.7359 -9.7359 1.3230 1.3230 1.3455 1.3455 1.6270 1.6270 2.2802 2.2802 2.9715 2.9715 3.1884 3.1884 3.7799 3.7799 4.0382 4.0382 4.1633 4.1633 4.4379 4.4379 4.7738 4.7738 4.9354 4.9354 5.1795 5.1795 5.4330 5.4330 5.6090 5.6090 5.6932 5.6932 6.3425 6.3425 6.8036 6.8036 13.4109 13.4109 14.2945 14.2945 14.6514 14.6514 15.1213 15.1213 15.6210 15.6210 k = 0.5228 0.0308 0.4300 ( 3400 PWs) bands (ev): -11.6702 -11.6702 -11.2769 -11.2769 -10.9574 -10.9574 -10.7916 -10.7916 -9.8567 -9.8567 -9.7353 -9.7353 1.3302 1.3302 1.3486 1.3486 1.6283 1.6283 2.2804 2.2804 2.9685 2.9685 3.1915 3.1915 3.7642 3.7642 4.0206 4.0206 4.1385 4.1385 4.4331 4.4331 4.7585 4.7585 4.9163 4.9163 5.1763 5.1763 5.4162 5.4162 5.6158 5.6158 5.6884 5.6884 6.3408 6.3408 6.8030 6.8030 13.4245 13.4245 14.3084 14.3084 14.6712 14.6712 15.1504 15.1504 15.6496 15.6496 k = 0.5274 0.0123 0.4300 ( 3412 PWs) bands (ev): -11.6635 -11.6635 -11.2711 -11.2711 -10.9520 -10.9520 -10.7867 -10.7867 -9.8566 -9.8566 -9.7346 -9.7346 1.3389 1.3389 1.3522 1.3522 1.6299 1.6299 2.2804 2.2804 2.9645 2.9645 3.1951 3.1951 3.7451 3.7451 3.9995 3.9995 4.1095 4.1095 4.4261 4.4261 4.7403 4.7403 4.8931 4.8931 5.1729 5.1729 5.3978 5.3978 5.6224 5.6224 5.6827 5.6827 6.3386 6.3386 6.8021 6.8021 13.4409 13.4409 14.3248 14.3248 14.6955 14.6955 15.1854 15.1854 15.6843 15.6843 k = 0.5320-0.0062 0.4300 ( 3418 PWs) bands (ev): -11.6556 -11.6556 -11.2642 -11.2642 -10.9456 -10.9456 -10.7810 -10.7810 -9.8566 -9.8566 -9.7338 -9.7338 1.3493 1.3493 1.3565 1.3565 1.6317 1.6317 2.2802 2.2802 2.9595 2.9595 3.1991 3.1991 3.7227 3.7227 3.9750 3.9750 4.0768 4.0768 4.4166 4.4166 4.7198 4.7198 4.8661 4.8661 5.1699 5.1699 5.3781 5.3781 5.6284 5.6284 5.6762 5.6762 6.3357 6.3357 6.8009 6.8009 13.4598 13.4598 14.3432 14.3432 14.7241 14.7241 15.2262 15.2262 15.7249 15.7249 k = 0.5365-0.0247 0.4300 ( 3416 PWs) bands (ev): -11.6465 -11.6465 -11.2562 -11.2562 -10.9383 -10.9383 -10.7744 -10.7744 -9.8566 -9.8566 -9.7329 -9.7329 1.3609 1.3609 1.3616 1.3616 1.6338 1.6338 2.2798 2.2798 2.9532 2.9532 3.2031 3.2031 3.6973 3.6973 3.9476 3.9476 4.0407 4.0407 4.4044 4.4044 4.6970 4.6970 4.8353 4.8353 5.1675 5.1675 5.3575 5.3575 5.6335 5.6335 5.6689 5.6689 6.3321 6.3321 6.7991 6.7991 13.4812 13.4812 14.3634 14.3634 14.7571 14.7571 15.2723 15.2723 15.7712 15.7712 k = 0.5411-0.0432 0.4300 ( 3416 PWs) bands (ev): -11.6363 -11.6363 -11.2473 -11.2473 -10.9300 -10.9300 -10.7669 -10.7669 -9.8566 -9.8566 -9.7319 -9.7319 1.3667 1.3667 1.3745 1.3745 1.6359 1.6359 2.2789 2.2789 2.9455 2.9455 3.2069 3.2069 3.6690 3.6690 3.9174 3.9174 4.0015 4.0015 4.3895 4.3895 4.6724 4.6724 4.8011 4.8011 5.1660 5.1660 5.3365 5.3365 5.6377 5.6377 5.6610 5.6610 6.3276 6.3276 6.7968 6.7968 13.5049 13.5049 14.3850 14.3850 14.7943 14.7943 15.3235 15.3235 15.8229 15.8229 k = 0.5456-0.0617 0.4300 ( 3412 PWs) bands (ev): -11.6249 -11.6249 -11.2373 -11.2373 -10.9209 -10.9209 -10.7587 -10.7587 -9.8567 -9.8567 -9.7308 -9.7308 1.3725 1.3725 1.3893 1.3893 1.6383 1.6383 2.2774 2.2774 2.9360 2.9360 3.2100 3.2100 3.6384 3.6384 3.8849 3.8849 3.9596 3.9596 4.3720 4.3720 4.6462 4.6462 4.7637 4.7637 5.1657 5.1657 5.3154 5.3154 5.6403 5.6403 5.6530 5.6530 6.3221 6.3221 6.7939 6.7939 13.5305 13.5305 14.4076 14.4076 14.8357 14.8357 15.3793 15.3793 15.8798 15.8798 k = 0.5502-0.0802 0.4300 ( 3414 PWs) bands (ev): -11.6123 -11.6123 -11.2264 -11.2264 -10.9108 -10.9108 -10.7496 -10.7496 -9.8569 -9.8569 -9.7298 -9.7298 1.3787 1.3787 1.4056 1.4056 1.6407 1.6407 2.2752 2.2752 2.9247 2.9247 3.2118 3.2118 3.6060 3.6060 3.8504 3.8504 3.9154 3.9154 4.3520 4.3520 4.6186 4.6186 4.7234 4.7234 5.1668 5.1668 5.2946 5.2946 5.6387 5.6387 5.6476 5.6476 6.3155 6.3155 6.7902 6.7902 13.5579 13.5579 14.4310 14.4310 14.8809 14.8809 15.4393 15.4393 15.9415 15.9415 k = 0.5548-0.0987 0.4300 ( 3418 PWs) bands (ev): -11.5986 -11.5986 -11.2145 -11.2145 -10.8998 -10.8998 -10.7397 -10.7397 -9.8572 -9.8572 -9.7287 -9.7287 1.3852 1.3852 1.4232 1.4232 1.6432 1.6432 2.2720 2.2720 2.9111 2.9111 3.2114 3.2114 3.5728 3.5728 3.8144 3.8144 3.8689 3.8689 4.3299 4.3299 4.5899 4.5899 4.6806 4.6806 5.1693 5.1693 5.2743 5.2743 5.6306 5.6306 5.6470 5.6470 6.3078 6.3078 6.7856 6.7856 13.5870 13.5870 14.4547 14.4547 14.9299 14.9299 15.5031 15.5031 16.0079 16.0079 k = 0.5593-0.1172 0.4300 ( 3416 PWs) bands (ev): -11.5839 -11.5839 -11.2016 -11.2016 -10.8880 -10.8880 -10.7291 -10.7291 -9.8577 -9.8577 -9.7276 -9.7276 1.3920 1.3920 1.4422 1.4422 1.6457 1.6457 2.2677 2.2677 2.8951 2.8951 3.2076 3.2076 3.5399 3.5399 3.7774 3.7774 3.8206 3.8206 4.3059 4.3059 4.5603 4.5603 4.6357 4.6357 5.1733 5.1733 5.2549 5.2549 5.6204 5.6204 5.6469 5.6469 6.2989 6.2989 6.7802 6.7802 13.6174 13.6174 14.4786 14.4786 14.9823 14.9823 15.5702 15.5702 16.0783 16.0783 k = 0.5639-0.1357 0.4300 ( 3424 PWs) bands (ev): -11.5680 -11.5680 -11.1879 -11.1879 -10.8754 -10.8754 -10.7178 -10.7178 -9.8582 -9.8582 -9.7265 -9.7265 1.3989 1.3989 1.4623 1.4623 1.6483 1.6483 2.2621 2.2621 2.8764 2.8764 3.1989 3.1989 3.5089 3.5089 3.7400 3.7400 3.7706 3.7706 4.2806 4.2806 4.5300 4.5300 4.5891 4.5891 5.1789 5.1789 5.2366 5.2366 5.6093 5.6093 5.6460 5.6460 6.2887 6.2887 6.7738 6.7738 13.6489 13.6489 14.5024 14.5024 15.0378 15.0378 15.6403 15.6403 16.1526 16.1526 k = 0.5685-0.1542 0.4300 ( 3428 PWs) bands (ev): -11.5511 -11.5511 -11.1732 -11.1732 -10.8619 -10.8619 -10.7057 -10.7057 -9.8590 -9.8590 -9.7255 -9.7255 1.4059 1.4059 1.4835 1.4835 1.6510 1.6510 2.2549 2.2549 2.8547 2.8547 3.1834 3.1834 3.4812 3.4812 3.7028 3.7028 3.7195 3.7195 4.2542 4.2542 4.4992 4.4992 4.5414 4.5414 5.1859 5.1859 5.2197 5.2197 5.5976 5.5976 5.6442 5.6442 6.2770 6.2770 6.7664 6.7664 13.6813 13.6813 14.5259 14.5259 15.0961 15.0961 15.7127 15.7127 16.2302 16.2302 k = 0.5730-0.1727 0.4300 ( 3430 PWs) bands (ev): -11.5332 -11.5332 -11.1576 -11.1576 -10.8476 -10.8476 -10.6930 -10.6930 -9.8600 -9.8600 -9.7246 -9.7246 1.4128 1.4128 1.5054 1.5054 1.6539 1.6539 2.2459 2.2459 2.8299 2.8299 3.1599 3.1599 3.4579 3.4579 3.6624 3.6624 3.6716 3.6716 4.2271 4.2271 4.4681 4.4681 4.4933 4.4933 5.1938 5.1938 5.2049 5.2049 5.5854 5.5854 5.6415 5.6415 6.2640 6.2640 6.7578 6.7578 13.7144 13.7144 14.5490 14.5490 15.1568 15.1568 15.7870 15.7870 16.3106 16.3106 k = 0.5776-0.1912 0.4300 ( 3432 PWs) bands (ev): -11.5142 -11.5142 -11.1413 -11.1413 -10.8325 -10.8325 -10.6797 -10.6797 -9.8611 -9.8611 -9.7237 -9.7237 1.4195 1.4195 1.5277 1.5277 1.6574 1.6574 2.2349 2.2349 2.8017 2.8017 3.1279 3.1279 3.4388 3.4388 3.6101 3.6101 3.6371 3.6371 4.1994 4.1994 4.4364 4.4364 4.4463 4.4463 5.1890 5.1890 5.2057 5.2057 5.5726 5.5726 5.6379 5.6379 6.2495 6.2495 6.7482 6.7482 13.7481 13.7481 14.5715 14.5715 15.2195 15.2195 15.8627 15.8627 16.3935 16.3935 k = 0.5822-0.2097 0.4300 ( 3432 PWs) bands (ev): -11.4943 -11.4943 -11.1241 -11.1241 -10.8167 -10.8167 -10.6657 -10.6657 -9.8626 -9.8626 -9.7230 -9.7230 1.4259 1.4259 1.5496 1.5496 1.6619 1.6619 2.2216 2.2216 2.7702 2.7702 3.0881 3.0881 3.4223 3.4223 3.5548 3.5548 3.6086 3.6086 4.1710 4.1710 4.3970 4.3970 4.4087 4.4087 5.1768 5.1768 5.2167 5.2167 5.5594 5.5594 5.6336 5.6336 6.2334 6.2334 6.7373 6.7373 13.7820 13.7820 14.5934 14.5934 15.2840 15.2840 15.9394 15.9394 16.4781 16.4781 k = 0.5867-0.2282 0.4300 ( 3430 PWs) bands (ev): -11.4735 -11.4735 -11.1061 -11.1061 -10.8002 -10.8002 -10.6511 -10.6511 -9.8643 -9.8643 -9.7225 -9.7225 1.4319 1.4319 1.5698 1.5698 1.6686 1.6686 2.2059 2.2059 2.7355 2.7355 3.0419 3.0419 3.4062 3.4062 3.4981 3.4981 3.5862 3.5862 4.1415 4.1415 4.3536 4.3536 4.3786 4.3786 5.1658 5.1658 5.2291 5.2291 5.5458 5.5458 5.6285 5.6285 6.2159 6.2159 6.7253 6.7253 13.8161 13.8161 14.6143 14.6143 15.3498 15.3498 16.0165 16.0165 16.5435 16.5435 k = 0.5913-0.2467 0.4300 ( 3434 PWs) bands (ev): -11.4517 -11.4517 -11.0874 -11.0874 -10.7830 -10.7830 -10.6360 -10.6360 -9.8664 -9.8664 -9.7222 -9.7222 1.4373 1.4373 1.5865 1.5865 1.6792 1.6792 2.1876 2.1876 2.6975 2.6975 2.9905 2.9905 3.3884 3.3884 3.4403 3.4403 3.5707 3.5707 4.1101 4.1101 4.3138 4.3138 4.3504 4.3504 5.1562 5.1562 5.2427 5.2427 5.5318 5.5318 5.6229 5.6229 6.1969 6.1969 6.7120 6.7120 13.8501 13.8501 14.6344 14.6344 15.4165 15.4165 16.0935 16.0935 16.6066 16.6066 k = 0.5959-0.2652 0.4300 ( 3430 PWs) bands (ev): -11.4290 -11.4290 -11.0680 -11.0680 -10.7652 -10.7652 -10.6204 -10.6204 -9.8688 -9.8688 -9.7222 -9.7222 1.4418 1.4418 1.5979 1.5979 1.6953 1.6953 2.1668 2.1668 2.6566 2.6566 2.9355 2.9355 3.3681 3.3681 3.3816 3.3816 3.5621 3.5621 4.0759 4.0759 4.2795 4.2795 4.3240 4.3240 5.1477 5.1477 5.2572 5.2572 5.5175 5.5175 5.6168 5.6168 6.1763 6.1763 6.6974 6.6974 13.8840 13.8840 14.6535 14.6535 15.4838 15.4838 16.1699 16.1699 16.6681 16.6681 k = 0.6004-0.2837 0.4300 ( 3428 PWs) bands (ev): -11.4056 -11.4056 -11.0479 -11.0479 -10.7467 -10.7467 -10.6044 -10.6044 -9.8716 -9.8716 -9.7224 -9.7224 1.4453 1.4453 1.6036 1.6036 1.7170 1.7170 2.1433 2.1433 2.6130 2.6130 2.8776 2.8776 3.3215 3.3215 3.3462 3.3462 3.5592 3.5592 4.0382 4.0382 4.2518 4.2518 4.2999 4.2999 5.1403 5.1403 5.2724 5.2724 5.5030 5.5030 5.6103 5.6103 6.1542 6.1542 6.6816 6.6816 13.9175 13.9175 14.6716 14.6716 15.5514 15.5514 16.2451 16.2451 16.7272 16.7272 k = 0.6050-0.3022 0.4300 ( 3432 PWs) bands (ev): -11.3813 -11.3813 -11.0272 -11.0272 -10.7277 -10.7277 -10.5879 -10.5879 -9.8748 -9.8748 -9.7229 -9.7229 1.4476 1.4476 1.6046 1.6046 1.7430 1.7430 2.1172 2.1172 2.5673 2.5673 2.8178 2.8178 3.2610 3.2610 3.3228 3.3228 3.5606 3.5606 3.9972 3.9972 4.2311 4.2311 4.2786 4.2786 5.1338 5.1338 5.2881 5.2881 5.4885 5.4885 5.6037 5.6037 6.1307 6.1307 6.6645 6.6645 13.9506 13.9506 14.6886 14.6886 15.6189 15.6189 16.3186 16.3186 16.7835 16.7835 k = 0.6096-0.3207 0.4300 ( 3432 PWs) bands (ev): -11.3562 -11.3562 -11.0059 -11.0059 -10.7081 -10.7081 -10.5711 -10.5711 -9.8784 -9.8784 -9.7237 -9.7237 1.4485 1.4485 1.6022 1.6022 1.7718 1.7718 2.0889 2.0889 2.5198 2.5198 2.7568 2.7568 3.1997 3.1997 3.2995 3.2995 3.5649 3.5649 3.9536 3.9536 4.2169 4.2169 4.2604 4.2604 5.1279 5.1279 5.3038 5.3038 5.4744 5.4744 5.5971 5.5971 6.1057 6.1057 6.6461 6.6461 13.9832 13.9832 14.7044 14.7044 15.6859 15.6859 16.3899 16.3899 16.8362 16.8362 k = 0.6141-0.3392 0.4300 ( 3430 PWs) bands (ev): -11.3305 -11.3305 -10.9840 -10.9840 -10.6881 -10.6881 -10.5540 -10.5540 -9.8825 -9.8825 -9.7249 -9.7249 1.4477 1.4477 1.5971 1.5971 1.8024 1.8024 2.0584 2.0584 2.4712 2.4712 2.6949 2.6949 3.1379 3.1379 3.2767 3.2767 3.5712 3.5712 3.9085 3.9085 4.2085 4.2085 4.2457 4.2457 5.1224 5.1224 5.3189 5.3189 5.4613 5.4613 5.5906 5.5906 6.0793 6.0793 6.6264 6.6264 14.0152 14.0152 14.7190 14.7190 15.7523 15.7523 16.4583 16.4583 16.8848 16.8848 k = 0.6187-0.3577 0.4300 ( 3428 PWs) bands (ev): -11.3040 -11.3040 -10.9617 -10.9617 -10.6676 -10.6676 -10.5366 -10.5366 -9.8871 -9.8871 -9.7266 -9.7266 1.4449 1.4449 1.5896 1.5896 1.8338 1.8338 2.0262 2.0262 2.4221 2.4221 2.6329 2.6329 3.0758 3.0758 3.2549 3.2549 3.5787 3.5787 3.8627 3.8627 4.2049 4.2049 4.2347 4.2347 5.1170 5.1170 5.3323 5.3323 5.4502 5.4502 5.5843 5.5843 6.0515 6.0515 6.6055 6.6055 14.0465 14.0465 14.7325 14.7325 15.8176 15.8176 16.5233 16.5233 16.9286 16.9286 k = 0.6233-0.3762 0.4300 ( 3426 PWs) bands (ev): -11.2770 -11.2770 -10.9389 -10.9389 -10.6466 -10.6466 -10.5190 -10.5190 -9.8922 -9.8922 -9.7287 -9.7287 1.4399 1.4399 1.5800 1.5800 1.8651 1.8651 1.9926 1.9926 2.3736 2.3736 2.5709 2.5709 3.0136 3.0136 3.2342 3.2342 3.5871 3.5871 3.8171 3.8171 4.2054 4.2054 4.2276 4.2276 5.1117 5.1117 5.3417 5.3417 5.4433 5.4433 5.5786 5.5786 6.0225 6.0225 6.5833 6.5833 14.0771 14.0771 14.7447 14.7447 15.8817 15.8817 16.5843 16.5843 16.9673 16.9673 k = 0.6278-0.3947 0.4300 ( 3428 PWs) bands (ev): -11.2493 -11.2493 -10.9157 -10.9157 -10.6254 -10.6254 -10.5012 -10.5012 -9.8979 -9.8979 -9.7312 -9.7312 1.4325 1.4325 1.5683 1.5683 1.8952 1.8952 1.9581 1.9581 2.3270 2.3270 2.5095 2.5095 2.9516 2.9516 3.2147 3.2147 3.5961 3.5961 3.7723 3.7723 4.2095 4.2095 4.2245 4.2245 5.1060 5.1060 5.3447 5.3447 5.4431 5.4431 5.5734 5.5734 5.9923 5.9923 6.5599 6.5599 14.1070 14.1070 14.7557 14.7557 15.9442 15.9442 16.6407 16.6407 17.0003 17.0003 k = 0.6324-0.4132 0.4300 ( 3430 PWs) bands (ev): -11.2211 -11.2211 -10.8922 -10.8922 -10.6038 -10.6038 -10.4834 -10.4834 -9.9040 -9.9040 -9.7343 -9.7343 1.4225 1.4225 1.5545 1.5545 1.9202 1.9202 1.9252 1.9252 2.2840 2.2840 2.4490 2.4490 2.8900 2.8900 3.1965 3.1965 3.6056 3.6056 3.7287 3.7287 4.2166 4.2166 4.2252 4.2252 5.1000 5.1000 5.3401 5.3401 5.4506 5.4506 5.5689 5.5689 5.9611 5.9611 6.5353 6.5353 14.1361 14.1361 14.7654 14.7654 16.0051 16.0051 16.6920 16.6920 17.0274 17.0274 k = 0.6369-0.4317 0.4300 ( 3432 PWs) bands (ev): -11.1925 -11.1925 -10.8684 -10.8684 -10.5819 -10.5819 -10.4656 -10.4656 -9.9107 -9.9107 -9.7380 -9.7380 1.4097 1.4097 1.5386 1.5386 1.8875 1.8875 1.9441 1.9441 2.2479 2.2479 2.3898 2.3898 2.8290 2.8290 3.1795 3.1795 3.6156 3.6156 3.6869 3.6869 4.2262 4.2262 4.2296 4.2296 5.0934 5.0934 5.3296 5.3296 5.4641 5.4641 5.5651 5.5651 5.9290 5.9290 6.5096 6.5096 14.1644 14.1644 14.7739 14.7739 16.0640 16.0640 16.7377 16.7377 17.0485 17.0485 k = 0.6415-0.4502 0.4300 ( 3428 PWs) bands (ev): -11.1634 -11.1634 -10.8444 -10.8444 -10.5598 -10.5598 -10.4479 -10.4479 -9.9180 -9.9180 -9.7422 -9.7422 1.3939 1.3939 1.5206 1.5206 1.8525 1.8525 1.9554 1.9554 2.2230 2.2230 2.3321 2.3321 2.7691 2.7691 3.1639 3.1639 3.6254 3.6254 3.6477 3.6477 4.2365 4.2365 4.2388 4.2388 5.0863 5.0863 5.3158 5.3158 5.4812 5.4812 5.5621 5.5621 5.8962 5.8962 6.4828 6.4828 14.1919 14.1919 14.7811 14.7811 16.1207 16.1207 16.7773 16.7773 17.0635 17.0635 k = 0.6461-0.4687 0.4300 ( 3428 PWs) bands (ev): -11.1340 -11.1340 -10.8202 -10.8202 -10.5375 -10.5375 -10.4303 -10.4303 -9.9258 -9.9258 -9.7470 -9.7470 1.3752 1.3752 1.5005 1.5005 1.8179 1.8179 1.9522 1.9522 2.2137 2.2137 2.2762 2.2762 2.7107 2.7107 3.1495 3.1495 3.6074 3.6074 3.6390 3.6390 4.2472 4.2472 4.2524 4.2524 5.0786 5.0786 5.2999 5.2999 5.5004 5.5004 5.5595 5.5595 5.8630 5.8630 6.4549 6.4549 14.2187 14.2187 14.7870 14.7870 16.1752 16.1752 16.8106 16.8106 17.0726 17.0726 k = 0.6506-0.4872 0.4300 ( 3430 PWs) bands (ev): -11.1042 -11.1042 -10.7960 -10.7960 -10.5151 -10.5151 -10.4130 -10.4130 -9.9341 -9.9341 -9.7525 -9.7525 1.3538 1.3538 1.4783 1.4783 1.7839 1.7839 1.9344 1.9344 2.2202 2.2202 2.2225 2.2225 2.6543 2.6543 3.1364 3.1364 3.5722 3.5722 3.6505 3.6505 4.2601 4.2601 4.2679 4.2679 5.0705 5.0705 5.2831 5.2831 5.5208 5.5208 5.5573 5.5573 5.8298 5.8298 6.4260 6.4260 14.2447 14.2447 14.7916 14.7916 16.2273 16.2273 16.8372 16.8372 17.0760 17.0760 k = 0.6552-0.5057 0.4300 ( 3428 PWs) bands (ev): -11.0742 -11.0742 -10.7717 -10.7717 -10.4927 -10.4927 -10.3961 -10.3961 -9.9428 -9.9428 -9.7587 -9.7587 1.3297 1.3297 1.4540 1.4540 1.7506 1.7506 1.9060 1.9060 2.1710 2.1710 2.2376 2.2376 2.6008 2.6008 3.1247 3.1247 3.5389 3.5389 3.6631 3.6631 4.2749 4.2749 4.2847 4.2847 5.0620 5.0620 5.2656 5.2656 5.5417 5.5417 5.5549 5.5549 5.7973 5.7973 6.3962 6.3962 14.2701 14.2701 14.7950 14.7950 16.2770 16.2770 16.8572 16.8572 17.0743 17.0743 k = 0.6598-0.5242 0.4300 ( 3428 PWs) bands (ev): -11.0440 -11.0440 -10.7474 -10.7474 -10.4702 -10.4702 -10.3796 -10.3796 -9.9520 -9.9520 -9.7655 -9.7655 1.3033 1.3033 1.4276 1.4276 1.7182 1.7182 1.8721 1.8721 2.1222 2.1222 2.2598 2.2598 2.5518 2.5518 3.1144 3.1144 3.5081 3.5081 3.6764 3.6764 4.2911 4.2911 4.3026 4.3026 5.0535 5.0535 5.2478 5.2478 5.5505 5.5505 5.5638 5.5638 5.7663 5.7663 6.3656 6.3656 14.2947 14.2947 14.7970 14.7970 16.3240 16.3240 16.8706 16.8706 17.0679 17.0679 k = 0.6643-0.5427 0.4300 ( 3432 PWs) bands (ev): -11.0136 -11.0136 -10.7232 -10.7232 -10.4478 -10.4478 -10.3638 -10.3638 -9.9615 -9.9615 -9.7731 -9.7731 1.2750 1.2750 1.3994 1.3994 1.6864 1.6864 1.8361 1.8361 2.0761 2.0761 2.2801 2.2801 2.5107 2.5107 3.1055 3.1055 3.4798 3.4798 3.6903 3.6903 4.3082 4.3082 4.3214 4.3214 5.0453 5.0453 5.2300 5.2300 5.5446 5.5446 5.5852 5.5852 5.7381 5.7381 6.3343 6.3343 14.3187 14.3187 14.7979 14.7979 16.3683 16.3683 16.8775 16.8775 17.0575 17.0575 k = 0.6689-0.5612 0.4300 ( 3434 PWs) bands (ev): -10.9832 -10.9832 -10.6992 -10.6992 -10.4255 -10.4255 -10.3488 -10.3488 -9.9712 -9.9712 -9.7814 -9.7814 1.2453 1.2453 1.3695 1.3695 1.6553 1.6553 1.7999 1.7999 2.0329 2.0329 2.2905 2.2905 2.4837 2.4837 3.0980 3.0980 3.4541 3.4541 3.7046 3.7046 4.3257 4.3257 4.3408 4.3408 5.0378 5.0378 5.2123 5.2123 5.5343 5.5343 5.6068 5.6068 5.7146 5.7146 6.3024 6.3024 14.3422 14.3422 14.7974 14.7974 16.4100 16.4100 16.8784 16.8784 17.0438 17.0438 k = 0.6735-0.5797 0.4300 ( 3438 PWs) bands (ev): -10.9528 -10.9528 -10.6755 -10.6755 -10.4034 -10.4034 -10.3349 -10.3349 -9.9810 -9.9810 -9.7904 -9.7904 1.2146 1.2146 1.3381 1.3381 1.6249 1.6249 1.7648 1.7648 1.9926 1.9926 2.2828 2.2828 2.4779 2.4779 3.0919 3.0919 3.4313 3.4313 3.7192 3.7192 4.3429 4.3429 4.3606 4.3606 5.0314 5.0314 5.1948 5.1948 5.5181 5.5181 5.6282 5.6282 5.6973 5.6973 6.2700 6.2700 14.3651 14.3651 14.7958 14.7958 16.4490 16.4490 16.8736 16.8736 17.0275 17.0275 k = 0.6780-0.5982 0.4300 ( 3434 PWs) bands (ev): -10.9225 -10.9225 -10.6521 -10.6521 -10.3815 -10.3815 -10.3222 -10.3222 -9.9906 -9.9906 -9.8002 -9.8002 1.1834 1.1834 1.3055 1.3055 1.5952 1.5952 1.7313 1.7313 1.9553 1.9553 2.2577 2.2577 2.4918 2.4918 3.0871 3.0871 3.4113 3.4113 3.7339 3.7339 4.3595 4.3595 4.3805 4.3805 5.0266 5.0266 5.1778 5.1778 5.4955 5.4955 5.6493 5.6493 5.6869 5.6869 6.2375 6.2375 14.3875 14.3875 14.7929 14.7929 16.4851 16.4851 16.8638 16.8638 17.0095 17.0095 k = 0.6826-0.6167 0.4300 ( 3440 PWs) bands (ev): -10.8922 -10.8922 -10.6291 -10.6291 -10.3599 -10.3599 -10.3110 -10.3110 -9.9997 -9.9997 -9.8107 -9.8107 1.1521 1.1521 1.2719 1.2719 1.5663 1.5663 1.6998 1.6998 1.9210 1.9210 2.2232 2.2232 2.5167 2.5167 3.0835 3.0835 3.3945 3.3945 3.7484 3.7484 4.3748 4.3748 4.4004 4.4004 5.0238 5.0238 5.1613 5.1613 5.4673 5.4673 5.6697 5.6697 5.6826 5.6826 6.2049 6.2049 14.4094 14.4094 14.7887 14.7887 16.5185 16.5185 16.8496 16.8496 16.9903 16.9903 k = 0.6872-0.6352 0.4300 ( 3434 PWs) bands (ev): -10.8622 -10.8622 -10.6067 -10.6067 -10.3386 -10.3386 -10.3018 -10.3018 -10.0081 -10.0081 -9.8220 -9.8220 1.1211 1.1211 1.2379 1.2379 1.5383 1.5383 1.6706 1.6706 1.8895 1.8895 2.1853 2.1853 2.5461 2.5461 3.0810 3.0810 3.3810 3.3810 3.7624 3.7624 4.3886 4.3886 4.4199 4.4199 5.0237 5.0237 5.1455 5.1455 5.4351 5.4351 5.6828 5.6828 5.6894 5.6894 6.1726 6.1726 14.4309 14.4309 14.7834 14.7834 16.5490 16.5490 16.8314 16.8314 16.9710 16.9710 k = 0.6917-0.6537 0.4300 ( 3434 PWs) bands (ev): -10.8324 -10.8324 -10.5850 -10.5850 -10.3179 -10.3179 -10.2949 -10.2949 -10.0154 -10.0154 -9.8339 -9.8339 1.0907 1.0907 1.2037 1.2037 1.5114 1.5114 1.6438 1.6438 1.8610 1.8610 2.1470 2.1470 2.5765 2.5765 3.0794 3.0794 3.3711 3.3711 3.7757 3.7757 4.4004 4.4004 4.4389 4.4389 5.0264 5.0264 5.1305 5.1305 5.4002 5.4002 5.6863 5.6863 5.7079 5.7079 6.1409 6.1409 14.4521 14.4521 14.7770 14.7770 16.5765 16.5765 16.8101 16.8101 16.9522 16.9522 k = 0.6963-0.6722 0.4300 ( 3436 PWs) bands (ev): -10.8030 -10.8030 -10.5640 -10.5640 -10.2976 -10.2976 -10.2905 -10.2905 -10.0212 -10.0212 -9.8466 -9.8466 1.0614 1.0614 1.1697 1.1697 1.4858 1.4858 1.6195 1.6195 1.8353 1.8353 2.1096 2.1096 2.6059 2.6059 3.0787 3.0787 3.3652 3.3652 3.7880 3.7880 4.4102 4.4102 4.4570 4.4570 5.0322 5.0322 5.1163 5.1163 5.3641 5.3641 5.6919 5.6919 5.7248 5.7248 6.1105 6.1105 14.4728 14.4728 14.7693 14.7693 16.6008 16.6008 16.7861 16.7861 16.9349 16.9349 k = 0.7009-0.6908 0.4300 ( 3438 PWs) bands (ev): -10.7740 -10.7740 -10.5440 -10.5440 -10.2891 -10.2891 -10.2780 -10.2780 -10.0252 -10.0252 -9.8599 -9.8599 1.0333 1.0333 1.1363 1.1363 1.4617 1.4617 1.5976 1.5976 1.8123 1.8123 2.0740 2.0740 2.6330 2.6330 3.0785 3.0785 3.3638 3.3638 3.7988 3.7988 4.4180 4.4180 4.4741 4.4741 5.0411 5.0411 5.1033 5.1033 5.3276 5.3276 5.6989 5.6989 5.7396 5.7396 6.0818 6.0818 14.4933 14.4933 14.7606 14.7606 16.6219 16.6219 16.7602 16.7602 16.9197 16.9197 k = 0.7054-0.7093 0.4300 ( 3440 PWs) bands (ev): -10.7455 -10.7455 -10.5252 -10.5252 -10.2907 -10.2907 -10.2591 -10.2591 -10.0270 -10.0270 -9.8737 -9.8737 1.0068 1.0068 1.1037 1.1037 1.4394 1.4394 1.5782 1.5782 1.7920 1.7920 2.0405 2.0405 2.6567 2.6567 3.0787 3.0787 3.3672 3.3672 3.8079 3.8079 4.4239 4.4239 4.4898 4.4898 5.0525 5.0525 5.0913 5.0913 5.2917 5.2917 5.7068 5.7068 5.7515 5.7515 6.0559 6.0559 14.5135 14.5135 14.7507 14.7507 16.6393 16.6393 16.7329 16.7329 16.9077 16.9077 k = 0.7100-0.7278 0.4300 ( 3434 PWs) bands (ev): -10.7175 -10.7175 -10.5078 -10.5078 -10.2951 -10.2951 -10.2411 -10.2411 -10.0268 -10.0268 -9.8880 -9.8880 0.9821 0.9821 1.0724 1.0724 1.4189 1.4189 1.5613 1.5613 1.7743 1.7743 2.0095 2.0095 2.6762 2.6762 3.0792 3.0792 3.3758 3.3758 3.8148 3.8148 4.4284 4.4284 4.5040 4.5040 5.0654 5.0654 5.0806 5.0806 5.2578 5.2578 5.7153 5.7153 5.7595 5.7595 6.0339 6.0339 14.5333 14.5333 14.7398 14.7398 16.6529 16.6529 16.7047 16.7047 16.8995 16.8995 k = 0.7145-0.7463 0.4300 ( 3432 PWs) bands (ev): -10.6901 -10.6901 -10.4924 -10.4924 -10.3020 -10.3020 -10.2242 -10.2242 -10.0244 -10.0244 -9.9026 -9.9026 0.9593 0.9593 1.0424 1.0424 1.4005 1.4005 1.5468 1.5468 1.7593 1.7593 1.9812 1.9812 2.6910 2.6910 3.0796 3.0796 3.3898 3.3898 3.8192 3.8192 4.4320 4.4320 4.5164 4.5164 5.0710 5.0710 5.0776 5.0776 5.2285 5.2285 5.7241 5.7241 5.7626 5.7626 6.0171 6.0171 14.5529 14.5529 14.7279 14.7279 16.6626 16.6626 16.6762 16.6762 16.8956 16.8956 k = 0.7191-0.7648 0.4300 ( 3438 PWs) bands (ev): -10.6635 -10.6635 -10.4794 -10.4794 -10.3105 -10.3105 -10.2085 -10.2085 -10.0204 -10.0204 -9.9173 -9.9173 0.9386 0.9386 1.0142 1.0142 1.3843 1.3843 1.5348 1.5348 1.7468 1.7468 1.9558 1.9558 2.7007 2.7007 3.0799 3.0799 3.4092 3.4092 3.8208 3.8208 4.4352 4.4352 4.5267 4.5267 5.0629 5.0629 5.0834 5.0834 5.2088 5.2088 5.7330 5.7330 5.7598 5.7598 6.0064 6.0064 14.5721 14.5721 14.7151 14.7151 16.6475 16.6475 16.6690 16.6690 16.8962 16.8962 k = 0.7237-0.7833 0.4300 ( 3440 PWs) bands (ev): -10.6376 -10.6376 -10.4698 -10.4698 -10.3193 -10.3193 -10.1944 -10.1944 -10.0148 -10.0148 -9.9318 -9.9318 0.9202 0.9202 0.9878 0.9878 1.3705 1.3705 1.5254 1.5254 1.7369 1.7369 1.9333 1.9333 2.7054 2.7054 3.0798 3.0798 3.4337 3.4337 3.8193 3.8193 4.4385 4.4385 4.5348 4.5348 5.0560 5.0560 5.0764 5.0764 5.2054 5.2054 5.7417 5.7417 5.7514 5.7514 6.0022 6.0022 14.5909 14.5909 14.7012 14.7012 16.6196 16.6196 16.6725 16.6725 16.9009 16.9009 k = 0.7282-0.8018 0.4300 ( 3440 PWs) bands (ev): -10.6126 -10.6126 -10.4650 -10.4650 -10.3270 -10.3270 -10.1822 -10.1822 -10.0081 -10.0081 -9.9458 -9.9458 0.9042 0.9042 0.9636 0.9636 1.3592 1.3592 1.5184 1.5184 1.7295 1.7295 1.9139 1.9139 2.7051 2.7051 3.0792 3.0792 3.4631 3.4631 3.8146 3.8146 4.4424 4.4424 4.5405 4.5405 5.0499 5.0499 5.0568 5.0568 5.2181 5.2181 5.7370 5.7370 5.7511 5.7511 6.0036 6.0036 14.6094 14.6094 14.6865 14.6865 16.5925 16.5925 16.6744 16.6744 16.9091 16.9091 k = 0.7328-0.8203 0.4300 ( 3442 PWs) bands (ev): -10.5886 -10.5886 -10.4663 -10.4663 -10.3319 -10.3319 -10.1724 -10.1724 -10.0006 -10.0006 -9.9587 -9.9587 0.8907 0.8907 0.9415 0.9415 1.3504 1.3504 1.5139 1.5139 1.7246 1.7246 1.8976 1.8976 2.7004 2.7004 3.0780 3.0780 3.4967 3.4967 3.8066 3.8066 4.4472 4.4472 4.5437 4.5437 5.0294 5.0294 5.0460 5.0460 5.2406 5.2406 5.7200 5.7200 5.7594 5.7594 6.0096 6.0096 14.6274 14.6274 14.6709 14.6709 16.5666 16.5666 16.6756 16.6756 16.9199 16.9199 k = 0.7374-0.8388 0.4300 ( 3448 PWs) bands (ev): -10.5657 -10.5657 -10.4744 -10.4744 -10.3331 -10.3331 -10.1657 -10.1657 -9.9926 -9.9926 -9.9698 -9.9698 0.8798 0.8798 0.9219 0.9219 1.3442 1.3442 1.5119 1.5119 1.7222 1.7222 1.8845 1.8845 2.6916 2.6916 3.0759 3.0759 3.5339 3.5339 3.7953 3.7953 4.4532 4.4532 4.5444 4.5444 5.0005 5.0005 5.0420 5.0420 5.2684 5.2684 5.7009 5.7009 5.7675 5.7675 6.0188 6.0188 14.6448 14.6448 14.6546 14.6546 16.5423 16.5423 16.6772 16.6772 16.9326 16.9326 k = 0.7419-0.8573 0.4300 ( 3448 PWs) bands (ev): -10.5439 -10.5439 -10.4887 -10.4887 -10.3309 -10.3309 -10.1626 -10.1626 -9.9843 -9.9843 -9.9785 -9.9785 0.8715 0.8715 0.9048 0.9048 1.3406 1.3406 1.5125 1.5125 1.7222 1.7222 1.8746 1.8746 2.6793 2.6793 3.0730 3.0730 3.5740 3.5740 3.7808 3.7808 4.4604 4.4604 4.5426 4.5426 4.9713 4.9713 5.0388 5.0388 5.2991 5.2991 5.6811 5.6811 5.7753 5.7753 6.0301 6.0301 14.6373 14.6373 14.6618 14.6618 16.5196 16.5196 16.6799 16.6799 16.9467 16.9467 k = 0.2581-1.0460 0.5564 ( 3448 PWs) bands (ev): -10.5439 -10.5439 -10.4887 -10.4887 -10.3309 -10.3309 -10.1626 -10.1626 -9.9843 -9.9843 -9.9785 -9.9785 0.8715 0.8715 0.9048 0.9048 1.3406 1.3406 1.5125 1.5125 1.7222 1.7222 1.8746 1.8746 2.6793 2.6793 3.0730 3.0730 3.5740 3.5740 3.7808 3.7808 4.4604 4.4604 4.5426 4.5426 4.9713 4.9713 5.0388 5.0388 5.2991 5.2991 5.6811 5.6811 5.7753 5.7753 6.0301 6.0301 14.6373 14.6373 14.6618 14.6618 16.5196 16.5196 16.6799 16.6799 16.9467 16.9467 k = 0.2535-1.0273 0.5564 ( 3454 PWs) bands (ev): -10.5233 -10.5233 -10.5081 -10.5081 -10.3264 -10.3264 -10.1637 -10.1637 -9.9842 -9.9842 -9.9757 -9.9757 0.8659 0.8659 0.8901 0.8901 1.3397 1.3397 1.5156 1.5156 1.7246 1.7246 1.8680 1.8680 2.6639 2.6639 3.0691 3.0691 3.6170 3.6170 3.7634 3.7634 4.4690 4.4690 4.5383 4.5383 4.9426 4.9426 5.0358 5.0358 5.3321 5.3321 5.6615 5.6615 5.7826 5.7826 6.0429 6.0429 14.6193 14.6193 14.6780 14.6780 16.4988 16.4988 16.6843 16.6843 16.9617 16.9617 k = 0.2488-1.0086 0.5564 ( 3450 PWs) bands (ev): -10.5313 -10.5313 -10.5043 -10.5043 -10.3207 -10.3207 -10.1692 -10.1692 -9.9866 -9.9866 -9.9672 -9.9672 0.8631 0.8631 0.8781 0.8781 1.3416 1.3416 1.5213 1.5213 1.7294 1.7294 1.8646 1.8646 2.6457 2.6457 3.0642 3.0642 3.6619 3.6619 3.7433 3.7433 4.4786 4.4786 4.5316 4.5316 4.9151 4.9151 5.0329 5.0329 5.3664 5.3664 5.6428 5.6428 5.7894 5.7894 6.0566 6.0566 14.6005 14.6005 14.6935 14.6935 16.4801 16.4801 16.6910 16.6910 16.9772 16.9772 k = 0.2442-0.9900 0.5564 ( 3446 PWs) bands (ev): -10.5573 -10.5573 -10.4870 -10.4870 -10.3147 -10.3147 -10.1784 -10.1784 -9.9861 -9.9861 -9.9588 -9.9588 0.8631 0.8631 0.8689 0.8689 1.3462 1.3462 1.5295 1.5295 1.7365 1.7365 1.8645 1.8645 2.6254 2.6254 3.0583 3.0583 3.7079 3.7079 3.7213 3.7213 4.4892 4.4892 4.5226 4.5226 4.8893 4.8893 5.0298 5.0298 5.4014 5.4014 5.6258 5.6258 5.7957 5.7957 6.0707 6.0707 14.5810 14.5810 14.7080 14.7080 16.4637 16.4637 16.7002 16.7002 16.9927 16.9927 k = 0.2396-0.9713 0.5564 ( 3446 PWs) bands (ev): -10.5854 -10.5854 -10.4718 -10.4718 -10.3089 -10.3089 -10.1905 -10.1905 -9.9831 -9.9831 -9.9506 -9.9506 0.8624 0.8624 0.8660 0.8660 1.3535 1.3535 1.5403 1.5403 1.7457 1.7457 1.8675 1.8675 2.6034 2.6034 3.0513 3.0513 3.6966 3.6966 3.7556 3.7556 4.5002 4.5002 4.5115 4.5115 4.8655 4.8655 5.0263 5.0263 5.4370 5.4370 5.6107 5.6107 5.8013 5.8013 6.0852 6.0852 14.5609 14.5609 14.7214 14.7214 16.4496 16.4496 16.7121 16.7121 17.0080 17.0080 k = 0.2350-0.9526 0.5564 ( 3446 PWs) bands (ev): -10.6152 -10.6152 -10.4591 -10.4591 -10.3038 -10.3038 -10.2043 -10.2043 -9.9785 -9.9785 -9.9427 -9.9427 0.8589 0.8589 0.8716 0.8716 1.3636 1.3636 1.5536 1.5536 1.7569 1.7569 1.8736 1.8736 2.5799 2.5799 3.0435 3.0435 3.6710 3.6710 3.8034 3.8034 4.4978 4.4978 4.5122 4.5122 4.8437 4.8437 5.0223 5.0223 5.4728 5.4728 5.5976 5.5976 5.8064 5.8064 6.0998 6.0998 14.5402 14.5402 14.7335 14.7335 16.4380 16.4380 16.7271 16.7271 17.0227 17.0227 k = 0.2304-0.9339 0.5564 ( 3448 PWs) bands (ev): -10.6462 -10.6462 -10.4494 -10.4494 -10.2994 -10.2994 -10.2185 -10.2185 -9.9730 -9.9730 -9.9351 -9.9351 0.8581 0.8581 0.8800 0.8800 1.3763 1.3763 1.5695 1.5695 1.7700 1.7700 1.8827 1.8827 2.5554 2.5554 3.0347 3.0347 3.6445 3.6445 3.8515 3.8515 4.4828 4.4828 4.5237 4.5237 4.8242 4.8242 5.0178 5.0178 5.5087 5.5087 5.5867 5.5867 5.8108 5.8108 6.1143 6.1143 14.5189 14.5189 14.7444 14.7444 16.4288 16.4288 16.7451 16.7451 17.0363 17.0363 k = 0.2258-0.9153 0.5564 ( 3450 PWs) bands (ev): -10.6784 -10.6784 -10.4435 -10.4435 -10.2960 -10.2960 -10.2320 -10.2320 -9.9670 -9.9670 -9.9280 -9.9280 0.8602 0.8602 0.8910 0.8910 1.3916 1.3916 1.5879 1.5879 1.7848 1.7848 1.8945 1.8945 2.5303 2.5303 3.0252 3.0252 3.6174 3.6174 3.8996 3.8996 4.4660 4.4660 4.5350 4.5350 4.8071 4.8071 5.0128 5.0128 5.5443 5.5443 5.5780 5.5780 5.8146 5.8146 6.1288 6.1288 14.4971 14.4971 14.7537 14.7537 16.4218 16.4218 16.7662 16.7662 17.0487 17.0487 k = 0.2212-0.8966 0.5564 ( 3458 PWs) bands (ev): -10.7115 -10.7115 -10.4422 -10.4422 -10.2936 -10.2936 -10.2437 -10.2437 -9.9608 -9.9608 -9.9213 -9.9213 0.8649 0.8649 0.9047 0.9047 1.4094 1.4094 1.6088 1.6088 1.8011 1.8011 1.9089 1.9089 2.5050 2.5050 3.0151 3.0151 3.5903 3.5903 3.9473 3.9473 4.4477 4.4477 4.5457 4.5457 4.7927 4.7927 5.0074 5.0074 5.5702 5.5702 5.5806 5.5806 5.8178 5.8178 6.1432 6.1432 14.4747 14.4747 14.7615 14.7615 16.4170 16.4170 16.7906 16.7906 17.0594 17.0594 k = 0.2166-0.8779 0.5564 ( 3454 PWs) bands (ev): -10.7453 -10.7453 -10.4461 -10.4461 -10.2922 -10.2922 -10.2524 -10.2524 -9.9548 -9.9548 -9.9150 -9.9150 0.8724 0.8724 0.9209 0.9209 1.4296 1.4296 1.6322 1.6322 1.8188 1.8188 1.9255 1.9255 2.4799 2.4799 3.0044 3.0044 3.5637 3.5637 3.9943 3.9943 4.4281 4.4281 4.5554 4.5554 4.7810 4.7810 5.0018 5.0018 5.5655 5.5655 5.6151 5.6151 5.8204 5.8204 6.1575 6.1575 14.4517 14.4517 14.7675 14.7675 16.4142 16.4142 16.8181 16.8181 17.0683 17.0683 k = 0.2120-0.8592 0.5564 ( 3450 PWs) bands (ev): -10.7798 -10.7798 -10.4554 -10.4554 -10.2919 -10.2919 -10.2578 -10.2578 -9.9491 -9.9491 -9.9093 -9.9093 0.8825 0.8825 0.9394 0.9394 1.4521 1.4521 1.6579 1.6579 1.8377 1.8377 1.9440 1.9440 2.4556 2.4556 2.9933 2.9933 3.5380 3.5380 4.0404 4.0404 4.4075 4.4075 4.5637 4.5637 4.7723 4.7723 4.9962 4.9962 5.5618 5.5618 5.6496 5.6496 5.8224 5.8224 6.1715 6.1715 14.4282 14.4282 14.7718 14.7718 16.4132 16.4132 16.8488 16.8488 17.0751 17.0751 k = 0.2074-0.8405 0.5564 ( 3452 PWs) bands (ev): -10.8148 -10.8148 -10.4697 -10.4697 -10.2928 -10.2928 -10.2602 -10.2602 -9.9438 -9.9438 -9.9042 -9.9042 0.8950 0.8950 0.9602 0.9602 1.4768 1.4768 1.6860 1.6860 1.8574 1.8574 1.9637 1.9637 2.4328 2.4328 2.9819 2.9819 3.5138 3.5138 4.0851 4.0851 4.3862 4.3862 4.5703 4.5703 4.7666 4.7666 4.9908 4.9908 5.5592 5.5592 5.6833 5.6833 5.8239 5.8239 6.1854 6.1854 14.4042 14.4042 14.7743 14.7743 16.4136 16.4136 16.8823 16.8823 17.0801 17.0801 k = 0.2028-0.8219 0.5564 ( 3454 PWs) bands (ev): -10.8502 -10.8502 -10.4882 -10.4882 -10.2946 -10.2946 -10.2603 -10.2603 -9.9390 -9.9390 -9.8996 -9.8996 0.9098 0.9098 0.9829 0.9829 1.5034 1.5034 1.7163 1.7163 1.8780 1.8780 1.9842 1.9842 2.4123 2.4123 2.9704 2.9704 3.4918 3.4918 4.1281 4.1281 4.3647 4.3647 4.5750 4.5750 4.7640 4.7640 4.9859 4.9859 5.5575 5.5575 5.7162 5.7162 5.8250 5.8250 6.1992 6.1992 14.3796 14.3796 14.7748 14.7748 16.4152 16.4152 16.9184 16.9184 17.0834 17.0834 k = 0.1982-0.8032 0.5564 ( 3454 PWs) bands (ev): -10.8860 -10.8860 -10.5100 -10.5100 -10.2975 -10.2975 -10.2587 -10.2587 -9.9347 -9.9347 -9.8955 -9.8955 0.9268 0.9268 1.0074 1.0074 1.5318 1.5318 1.7486 1.7486 1.8991 1.8991 2.0044 2.0044 2.3951 2.3951 2.9588 2.9588 3.4723 3.4723 4.1686 4.1686 4.3439 4.3439 4.5778 4.5778 4.7643 4.7643 4.9816 4.9816 5.5565 5.5565 5.7479 5.7479 5.8260 5.8260 6.2127 6.2127 14.3544 14.3544 14.7734 14.7734 16.4176 16.4176 16.9563 16.9563 17.0860 17.0860 k = 0.1935-0.7845 0.5564 ( 3456 PWs) bands (ev): -10.9220 -10.9220 -10.5341 -10.5341 -10.3015 -10.3015 -10.2563 -10.2563 -9.9310 -9.9310 -9.8920 -9.8920 0.9456 0.9456 1.0334 1.0334 1.5618 1.5618 1.7827 1.7827 1.9207 1.9207 2.0235 2.0235 2.3826 2.3826 2.9473 2.9473 3.4562 3.4562 4.2048 4.2048 4.3254 4.3254 4.5788 4.5788 4.7672 4.7672 4.9782 4.9782 5.5558 5.5558 5.7773 5.7773 5.8279 5.8279 6.2261 6.2261 14.3287 14.3287 14.7700 14.7700 16.4203 16.4203 16.9933 16.9933 17.0903 17.0903 k = 0.1889-0.7658 0.5564 ( 3452 PWs) bands (ev): -10.9581 -10.9581 -10.5601 -10.5601 -10.3063 -10.3063 -10.2535 -10.2535 -9.9280 -9.9280 -9.8891 -9.8891 0.9662 0.9662 1.0605 1.0605 1.5930 1.5930 1.8181 1.8181 1.9426 1.9426 2.0404 2.0404 2.3763 2.3763 2.9359 2.9359 3.4439 3.4439 4.2313 4.2313 4.3148 4.3148 4.5783 4.5783 4.7723 4.7723 4.9758 4.9758 5.5554 5.5554 5.8007 5.8007 5.8344 5.8344 6.2393 6.2393 14.3024 14.3024 14.7646 14.7646 16.4231 16.4231 17.0228 17.0228 17.1032 17.1032 k = 0.1843-0.7471 0.5564 ( 3452 PWs) bands (ev): -10.9944 -10.9944 -10.5873 -10.5873 -10.3121 -10.3121 -10.2508 -10.2508 -9.9255 -9.9255 -9.8868 -9.8868 0.9880 0.9880 1.0885 1.0885 1.6251 1.6251 1.8542 1.8542 1.9649 1.9649 2.0545 2.0545 2.3776 2.3776 2.9249 2.9249 3.4359 3.4359 4.2376 4.2376 4.3226 4.3226 4.5765 4.5765 4.7791 4.7791 4.9747 4.9747 5.5549 5.5549 5.8106 5.8106 5.8529 5.8529 6.2524 6.2524 14.2755 14.2755 14.7572 14.7572 16.4254 16.4254 17.0353 17.0353 17.1339 17.1339 k = 0.1797-0.7285 0.5564 ( 3452 PWs) bands (ev): -11.0307 -11.0307 -10.6154 -10.6154 -10.3188 -10.3188 -10.2483 -10.2483 -9.9237 -9.9237 -9.8850 -9.8850 1.0109 1.0109 1.1168 1.1168 1.6579 1.6579 1.8895 1.8895 1.9876 1.9876 2.0663 2.0663 2.3873 2.3873 2.9144 2.9144 3.4328 3.4328 4.2264 4.2264 4.3462 4.3462 4.5740 4.5740 4.7871 4.7871 4.9750 4.9750 5.5544 5.5544 5.8121 5.8121 5.8785 5.8785 6.2652 6.2652 14.2480 14.2480 14.7479 14.7479 16.4268 16.4268 17.0345 17.0345 17.1789 17.1789 k = 0.1751-0.7098 0.5564 ( 3452 PWs) bands (ev): -11.0669 -11.0669 -10.6442 -10.6442 -10.3262 -10.3262 -10.2463 -10.2463 -9.9224 -9.9224 -9.8838 -9.8838 1.0343 1.0343 1.1450 1.1450 1.6909 1.6909 1.9217 1.9217 2.0108 2.0108 2.0784 2.0784 2.4053 2.4053 2.9047 2.9047 3.4348 3.4348 4.2092 4.2092 4.3743 4.3743 4.5709 4.5709 4.7959 4.7959 4.9768 4.9768 5.5536 5.5536 5.8109 5.8109 5.9053 5.9053 6.2778 6.2778 14.2198 14.2198 14.7366 14.7366 16.4270 16.4270 17.0271 17.0271 17.2311 17.2311 k = 0.1705-0.6911 0.5564 ( 3452 PWs) bands (ev): -11.1030 -11.1030 -10.6735 -10.6735 -10.3344 -10.3344 -10.2448 -10.2448 -9.9218 -9.9218 -9.8832 -9.8832 1.0579 1.0579 1.1726 1.1726 1.7237 1.7237 1.9473 1.9473 2.0347 2.0347 2.0953 2.0953 2.4308 2.4308 2.8964 2.8964 3.4421 3.4421 4.1908 4.1908 4.4022 4.4022 4.5675 4.5675 4.8053 4.8053 4.9803 4.9803 5.5526 5.5526 5.8086 5.8086 5.9318 5.9318 6.2902 6.2902 14.1910 14.1910 14.7235 14.7235 16.4255 16.4255 17.0158 17.0158 17.2877 17.2877 k = 0.1659-0.6724 0.5564 ( 3456 PWs) bands (ev): -11.1389 -11.1389 -10.7030 -10.7030 -10.3433 -10.3433 -10.2439 -10.2439 -9.9217 -9.9217 -9.8830 -9.8830 1.0810 1.0810 1.1990 1.1990 1.7559 1.7559 1.9634 1.9634 2.0594 2.0594 2.1213 2.1213 2.4625 2.4625 2.8899 2.8899 3.4547 3.4547 4.1726 4.1726 4.4285 4.4285 4.5640 4.5640 4.8149 4.8149 4.9854 4.9854 5.5511 5.5511 5.8057 5.8057 5.9575 5.9575 6.3023 6.3023 14.1615 14.1615 14.7084 14.7084 16.4220 16.4220 17.0017 17.0017 17.3472 17.3472 k = 0.1613-0.6538 0.5564 ( 3460 PWs) bands (ev): -11.1745 -11.1745 -10.7327 -10.7327 -10.3529 -10.3529 -10.2436 -10.2436 -9.9222 -9.9222 -9.8834 -9.8834 1.1031 1.1031 1.2238 1.2238 1.7871 1.7871 1.9707 1.9707 2.0853 2.0853 2.1570 2.1570 2.4992 2.4992 2.8860 2.8860 3.4724 3.4724 4.1556 4.1556 4.4526 4.4526 4.5605 4.5605 4.8247 4.8247 4.9922 4.9922 5.5493 5.5493 5.8024 5.8024 5.9823 5.9823 6.3143 6.3143 14.1313 14.1313 14.6915 14.6915 16.4161 16.4161 16.9850 16.9850 17.4091 17.4091 k = 0.1567-0.6351 0.5564 ( 3458 PWs) bands (ev): -11.2098 -11.2098 -10.7624 -10.7624 -10.3630 -10.3630 -10.2440 -10.2440 -9.9232 -9.9232 -9.8844 -9.8844 1.1237 1.1237 1.2462 1.2462 1.8166 1.8166 1.9728 1.9728 2.1126 2.1126 2.1999 2.1999 2.5399 2.5399 2.8855 2.8855 3.4950 3.4950 4.1400 4.1400 4.4746 4.4746 4.5571 4.5571 4.8345 4.8345 5.0005 5.0005 5.5471 5.5471 5.7987 5.7987 6.0061 6.0061 6.3259 6.3259 14.1005 14.1005 14.6727 14.6727 16.4075 16.4075 16.9660 16.9660 17.4725 17.4725 k = 0.1521-0.6164 0.5564 ( 3458 PWs) bands (ev): -11.2447 -11.2447 -10.7920 -10.7920 -10.3736 -10.3736 -10.2450 -10.2450 -9.9247 -9.9247 -9.8857 -9.8857 1.1420 1.1420 1.2659 1.2659 1.8440 1.8440 1.9731 1.9731 2.1415 2.1415 2.2475 2.2475 2.5838 2.5838 2.8890 2.8890 3.5222 3.5222 4.1262 4.1262 4.4943 4.4943 4.5540 4.5540 4.8441 4.8441 5.0104 5.0104 5.5445 5.5445 5.7948 5.7948 6.0289 6.0289 6.3372 6.3372 14.0689 14.0689 14.6521 14.6521 16.3960 16.3960 16.9446 16.9446 17.5367 17.5367 k = 0.1475-0.5977 0.5564 ( 3452 PWs) bands (ev): -11.2792 -11.2792 -10.8215 -10.8215 -10.3846 -10.3846 -10.2465 -10.2465 -9.9267 -9.9267 -9.8875 -9.8875 1.1576 1.1576 1.2826 1.2826 1.8687 1.8687 1.9739 1.9739 2.1725 2.1725 2.2983 2.2983 2.6304 2.6304 2.8974 2.8974 3.5533 3.5533 4.1144 4.1144 4.5119 4.5119 4.5512 4.5512 4.8536 4.8536 5.0215 5.0215 5.5416 5.5416 5.7907 5.7907 6.0506 6.0506 6.3482 6.3482 14.0366 14.0366 14.6298 14.6298 16.3814 16.3814 16.9209 16.9209 17.6006 17.6006 k = 0.1429-0.5790 0.5564 ( 3456 PWs) bands (ev): -11.3133 -11.3133 -10.8508 -10.8508 -10.3960 -10.3960 -10.2487 -10.2487 -9.9291 -9.9291 -9.8898 -9.8898 1.1700 1.1700 1.2958 1.2958 1.8899 1.8899 1.9764 1.9764 2.2059 2.2059 2.3511 2.3511 2.6794 2.6794 2.9113 2.9113 3.5880 3.5880 4.1048 4.1048 4.5278 4.5278 4.5489 4.5489 4.8629 4.8629 5.0337 5.0337 5.5383 5.5383 5.7865 5.7865 6.0712 6.0712 6.3589 6.3589 14.0036 14.0036 14.6058 14.6058 16.3634 16.3634 16.8948 16.8948 17.6623 17.6623 k = 0.1382-0.5604 0.5564 ( 3452 PWs) bands (ev): -11.3467 -11.3467 -10.8797 -10.8797 -10.4078 -10.4078 -10.2514 -10.2514 -9.9319 -9.9319 -9.8924 -9.8924 1.1788 1.1788 1.3057 1.3057 1.9071 1.9071 1.9815 1.9815 2.2421 2.2421 2.4055 2.4055 2.7304 2.7304 2.9311 2.9311 3.6256 3.6256 4.0974 4.0974 4.5417 4.5417 4.5475 4.5475 4.8720 4.8720 5.0466 5.0466 5.5347 5.5347 5.7823 5.7823 6.0908 6.0908 6.3692 6.3692 13.9699 13.9699 14.5801 14.5801 16.3421 16.3421 16.8664 16.8664 17.7186 17.7186 k = 0.1336-0.5417 0.5564 ( 3456 PWs) bands (ev): -11.3796 -11.3796 -10.9082 -10.9082 -10.4198 -10.4198 -10.2545 -10.2545 -9.9351 -9.9351 -9.8954 -9.8954 1.1839 1.1839 1.3120 1.3120 1.9197 1.9197 1.9894 1.9894 2.2815 2.2815 2.4608 2.4608 2.7833 2.7833 2.9570 2.9570 3.6657 3.6657 4.0923 4.0923 4.5454 4.5454 4.5559 4.5559 4.8809 4.8809 5.0601 5.0601 5.5309 5.5309 5.7782 5.7782 6.1093 6.1093 6.3790 6.3790 13.9355 13.9355 14.5528 14.5528 16.3174 16.3174 16.8356 16.8356 17.7635 17.7635 k = 0.1290-0.5230 0.5564 ( 3456 PWs) bands (ev): -11.4118 -11.4118 -10.9363 -10.9363 -10.4320 -10.4320 -10.2582 -10.2582 -9.9386 -9.9386 -9.8987 -9.8987 1.1852 1.1852 1.3152 1.3152 1.9277 1.9277 2.0000 2.0000 2.3242 2.3242 2.5170 2.5170 2.8380 2.8380 2.9888 2.9888 3.7075 3.7075 4.0894 4.0894 4.5451 4.5451 4.5682 4.5682 4.8896 4.8896 5.0737 5.0737 5.5269 5.5269 5.7742 5.7742 6.1267 6.1267 6.3884 6.3884 13.9005 13.9005 14.5239 14.5239 16.2893 16.2893 16.8026 16.8026 17.7881 17.7881 k = 0.1244-0.5043 0.5564 ( 3454 PWs) bands (ev): -11.4433 -11.4433 -10.9639 -10.9639 -10.4443 -10.4443 -10.2622 -10.2622 -9.9424 -9.9424 -9.9023 -9.9023 1.1830 1.1830 1.3152 1.3152 1.9310 1.9310 2.0130 2.0130 2.3701 2.3701 2.5736 2.5736 2.8944 2.8944 3.0263 3.0263 3.7504 3.7504 4.0886 4.0886 4.5455 4.5455 4.5803 4.5803 4.8981 4.8981 5.0874 5.0874 5.5228 5.5228 5.7704 5.7704 6.1431 6.1431 6.3974 6.3974 13.8649 13.8649 14.4935 14.4935 16.2578 16.2578 16.7674 16.7674 17.7653 17.7653 k = 0.1198-0.4856 0.5564 ( 3454 PWs) bands (ev): -11.4740 -11.4740 -10.9910 -10.9910 -10.4568 -10.4568 -10.2666 -10.2666 -9.9465 -9.9465 -9.9061 -9.9061 1.1776 1.1776 1.3126 1.3126 1.9300 1.9300 2.0279 2.0279 2.4191 2.4191 2.6306 2.6306 2.9524 2.9524 3.0690 3.0690 3.7940 3.7940 4.0898 4.0898 4.5469 4.5469 4.5923 4.5923 4.9065 4.9065 5.1008 5.1008 5.5186 5.5186 5.7669 5.7669 6.1584 6.1584 6.4058 6.4058 13.8287 13.8287 14.4616 14.4616 16.2232 16.2232 16.7299 16.7299 17.6616 17.6616 k = 0.1152-0.4670 0.5564 ( 3450 PWs) bands (ev): -11.5040 -11.5040 -11.0174 -11.0174 -10.4692 -10.4692 -10.2713 -10.2713 -9.9509 -9.9509 -9.9102 -9.9102 1.1693 1.1693 1.3076 1.3076 1.9252 1.9252 2.0440 2.0440 2.4708 2.4708 2.6878 2.6878 3.0120 3.0120 3.1163 3.1163 3.8375 3.8375 4.0927 4.0927 4.5493 4.5493 4.6045 4.6045 4.9149 4.9149 5.1139 5.1139 5.5145 5.5145 5.7638 5.7638 6.1727 6.1727 6.4137 6.4137 13.7920 13.7920 14.4284 14.4284 16.1855 16.1855 16.6905 16.6905 17.5559 17.5559 k = 0.1106-0.4483 0.5564 ( 3452 PWs) bands (ev): -11.5331 -11.5331 -11.0431 -11.0431 -10.4816 -10.4816 -10.2763 -10.2763 -9.9554 -9.9554 -9.9145 -9.9145 1.1587 1.1587 1.3005 1.3005 1.9172 1.9172 2.0608 2.0608 2.5248 2.5248 2.7453 2.7453 3.0730 3.0730 3.1675 3.1675 3.8804 3.8804 4.0970 4.0970 4.5529 4.5529 4.6171 4.6171 4.9233 4.9233 5.1265 5.1265 5.5104 5.5104 5.7613 5.7613 6.1859 6.1859 6.4210 6.4210 13.7548 13.7548 14.3939 14.3939 16.1451 16.1451 16.6491 16.6491 17.4495 17.4495 k = 0.1060-0.4296 0.5564 ( 3458 PWs) bands (ev): -11.5613 -11.5613 -11.0682 -11.0682 -10.4939 -10.4939 -10.2815 -10.2815 -9.9600 -9.9600 -9.9189 -9.9189 1.1461 1.1461 1.2918 1.2918 1.9066 1.9066 2.0775 2.0775 2.5805 2.5805 2.8030 2.8030 3.1352 3.1352 3.2220 3.2220 3.9221 3.9221 4.1025 4.1025 4.5577 4.5577 4.6304 4.6304 4.9317 4.9317 5.1385 5.1385 5.5065 5.5065 5.7594 5.7594 6.1982 6.1982 6.4278 6.4278 13.7173 13.7173 14.3582 14.3582 16.1022 16.1022 16.6059 16.6059 17.3430 17.3430 k = 0.1014-0.4109 0.5564 ( 3458 PWs) bands (ev): -11.5887 -11.5887 -11.0925 -11.0925 -10.5061 -10.5061 -10.2869 -10.2869 -9.9648 -9.9648 -9.9234 -9.9234 1.1321 1.1321 1.2817 1.2817 1.8940 1.8940 2.0937 2.0937 2.6376 2.6376 2.8609 2.8609 3.1986 3.1986 3.2791 3.2791 3.9622 3.9622 4.1088 4.1088 4.5638 4.5638 4.6445 4.6445 4.9403 4.9403 5.1500 5.1500 5.5028 5.5028 5.7582 5.7582 6.2096 6.2096 6.4339 6.4339 13.6795 13.6795 14.3214 14.3214 16.0571 16.0571 16.5611 16.5611 17.2370 17.2370 k = 0.0968-0.3923 0.5564 ( 3458 PWs) bands (ev): -11.6150 -11.6150 -11.1159 -11.1159 -10.5181 -10.5181 -10.2924 -10.2924 -9.9696 -9.9696 -9.9280 -9.9280 1.1169 1.1169 1.2705 1.2705 1.8798 1.8798 2.1090 2.1090 2.6955 2.6955 2.9190 2.9190 3.2628 3.2628 3.3382 3.3382 4.0001 4.0001 4.1156 4.1156 4.5712 4.5712 4.6592 4.6592 4.9490 4.9490 5.1609 5.1609 5.4993 5.4993 5.7579 5.7579 6.2199 6.2199 6.4393 6.4393 13.6415 13.6415 14.2838 14.2838 16.0101 16.0101 16.5149 16.5149 17.1318 17.1318 k = 0.0922-0.3736 0.5564 ( 3450 PWs) bands (ev): -11.6404 -11.6404 -11.1386 -11.1386 -10.5299 -10.5299 -10.2980 -10.2980 -9.9745 -9.9745 -9.9326 -9.9326 1.1010 1.1010 1.2585 1.2585 1.8645 1.8645 2.1229 2.1229 2.7537 2.7537 2.9773 2.9773 3.3276 3.3276 3.3988 3.3988 4.0356 4.0356 4.1226 4.1226 4.5798 4.5798 4.6745 4.6745 4.9579 4.9579 5.1715 5.1715 5.4960 5.4960 5.7587 5.7587 6.2294 6.2294 6.4441 6.4441 13.6036 13.6036 14.2453 14.2453 15.9617 15.9617 16.4677 16.4677 17.0281 17.0281 k = 0.0876-0.3549 0.5564 ( 3444 PWs) bands (ev): -11.6648 -11.6648 -11.1604 -11.1604 -10.5414 -10.5414 -10.3036 -10.3036 -9.9794 -9.9794 -9.9372 -9.9372 1.0846 1.0846 1.2460 1.2460 1.8485 1.8485 2.1354 2.1354 2.8119 2.8119 3.0356 3.0356 3.3927 3.3927 3.4603 3.4603 4.0684 4.0684 4.1296 4.1296 4.5894 4.5894 4.6900 4.6900 4.9670 4.9670 5.1819 5.1819 5.4930 5.4930 5.7606 5.7606 6.2380 6.2380 6.4483 6.4483 13.5657 13.5657 14.2063 14.2063 15.9121 15.9121 16.4196 16.4196 16.9261 16.9261 k = 0.0829-0.3362 0.5564 ( 3448 PWs) bands (ev): -11.6880 -11.6880 -11.1812 -11.1812 -10.5526 -10.5526 -10.3092 -10.3092 -9.9843 -9.9843 -9.9418 -9.9418 1.0680 1.0680 1.2332 1.2332 1.8321 1.8321 2.1463 2.1463 2.8695 2.8695 3.0939 3.0939 3.4579 3.4579 3.5222 3.5222 4.0985 4.0985 4.1364 4.1364 4.5998 4.5998 4.7056 4.7056 4.9763 4.9763 5.1923 5.1923 5.4903 5.4903 5.7637 5.7637 6.2457 6.2457 6.4517 6.4517 13.5281 13.5281 14.1669 14.1669 15.8618 15.8618 16.3709 16.3709 16.8263 16.8263 k = 0.0783-0.3175 0.5564 ( 3452 PWs) bands (ev): -11.7102 -11.7102 -11.2012 -11.2012 -10.5634 -10.5634 -10.3147 -10.3147 -9.9891 -9.9891 -9.9464 -9.9464 1.0515 1.0515 1.2202 1.2202 1.8155 1.8155 2.1556 2.1556 2.9262 2.9262 3.1519 3.1519 3.5228 3.5228 3.5840 3.5840 4.1256 4.1256 4.1431 4.1431 4.6107 4.6107 4.7206 4.7206 4.9856 4.9856 5.2030 5.2030 5.4880 5.4880 5.7683 5.7683 6.2526 6.2526 6.4545 6.4545 13.4909 13.4909 14.1273 14.1273 15.8112 15.8112 16.3219 16.3219 16.7290 16.7290 k = 0.0737-0.2989 0.5564 ( 3446 PWs) bands (ev): -11.7313 -11.7313 -11.2201 -11.2201 -10.5738 -10.5738 -10.3201 -10.3201 -9.9938 -9.9938 -9.9509 -9.9509 1.0351 1.0351 1.2072 1.2072 1.7991 1.7991 2.1633 2.1633 2.9815 2.9815 3.2093 3.2093 3.5871 3.5871 3.6454 3.6454 4.1463 4.1463 4.1534 4.1534 4.6218 4.6218 4.7346 4.7346 4.9947 4.9947 5.2141 5.2141 5.4859 5.4859 5.7743 5.7743 6.2587 6.2587 6.4565 6.4565 13.4543 13.4543 14.0877 14.0877 15.7606 15.7606 16.2731 16.2731 16.6347 16.6347 k = 0.0691-0.2802 0.5564 ( 3444 PWs) bands (ev): -11.7513 -11.7513 -11.2380 -11.2380 -10.5837 -10.5837 -10.3254 -10.3254 -9.9984 -9.9984 -9.9552 -9.9552 1.0192 1.0192 1.1944 1.1944 1.7830 1.7830 2.1695 2.1695 3.0351 3.0351 3.2659 3.2659 3.6505 3.6505 3.7058 3.7058 4.1536 4.1536 4.1745 4.1745 4.6328 4.6328 4.7470 4.7470 5.0035 5.0035 5.2258 5.2258 5.4843 5.4843 5.7819 5.7819 6.2641 6.2641 6.4579 6.4579 13.4185 13.4185 14.0484 14.0484 15.7106 15.7106 16.2247 16.2247 16.5438 16.5438 k = 0.0645-0.2615 0.5564 ( 3444 PWs) bands (ev): -11.7700 -11.7700 -11.2550 -11.2550 -10.5932 -10.5932 -10.3306 -10.3306 -10.0028 -10.0028 -9.9594 -9.9594 1.0038 1.0038 1.1820 1.1820 1.7674 1.7674 2.1744 2.1744 3.0865 3.0865 3.3214 3.3214 3.7128 3.7128 3.7649 3.7649 4.1590 4.1590 4.1949 4.1949 4.6435 4.6435 4.7574 4.7574 5.0117 5.0117 5.2383 5.2383 5.4830 5.4830 5.7911 5.7911 6.2687 6.2687 6.4587 6.4587 13.3836 13.3836 14.0097 14.0097 15.6614 15.6614 16.1771 16.1771 16.4566 16.4566 k = 0.0599-0.2428 0.5564 ( 3440 PWs) bands (ev): -11.7876 -11.7876 -11.2708 -11.2708 -10.6022 -10.6022 -10.3355 -10.3355 -10.0071 -10.0071 -9.9635 -9.9635 0.9890 0.9890 1.1699 1.1699 1.7524 1.7524 2.1781 2.1781 3.1355 3.1355 3.3753 3.3753 3.7736 3.7736 3.8222 3.8222 4.1640 4.1640 4.2138 4.2138 4.6536 4.6536 4.7654 4.7654 5.0189 5.0189 5.2515 5.2515 5.4823 5.4823 5.8017 5.8017 6.2726 6.2726 6.4588 6.4588 13.3500 13.3500 13.9719 13.9719 15.6135 15.6135 16.1307 16.1307 16.3735 16.3735 k = 0.0553-0.2241 0.5564 ( 3440 PWs) bands (ev): -11.8040 -11.8040 -11.2856 -11.2856 -10.6106 -10.6106 -10.3402 -10.3402 -10.0112 -10.0112 -9.9673 -9.9673 0.9750 0.9750 1.1584 1.1584 1.7381 1.7381 2.1808 2.1808 3.1818 3.1818 3.4272 3.4272 3.8326 3.8326 3.8774 3.8774 4.1688 4.1688 4.2312 4.2312 4.6631 4.6631 4.7707 4.7707 5.0250 5.0250 5.2653 5.2653 5.4822 5.4822 5.8137 5.8137 6.2759 6.2759 6.4583 6.4583 13.3177 13.3177 13.9352 13.9352 15.5674 15.5674 16.0859 16.0859 16.2949 16.2949 k = 0.0507-0.2055 0.5564 ( 3438 PWs) bands (ev): -11.8191 -11.8191 -11.2993 -11.2993 -10.6185 -10.6185 -10.3446 -10.3446 -10.0150 -10.0150 -9.9709 -9.9709 0.9619 0.9619 1.1476 1.1476 1.7246 1.7246 2.1826 2.1826 3.2250 3.2250 3.4767 3.4767 3.8895 3.8895 3.9300 3.9300 4.1734 4.1734 4.2474 4.2474 4.6720 4.6720 4.7732 4.7732 5.0298 5.0298 5.2792 5.2792 5.4829 5.4829 5.8268 5.8268 6.2785 6.2785 6.4574 6.4574 13.2870 13.2870 13.9000 13.9000 15.5233 15.5233 16.0430 16.0430 16.2211 16.2211 k = 0.0461-0.1868 0.5564 ( 3438 PWs) bands (ev): -11.8330 -11.8330 -11.3118 -11.3118 -10.6257 -10.6257 -10.3488 -10.3488 -10.0185 -10.0185 -9.9743 -9.9743 0.9497 0.9497 1.1374 1.1374 1.7121 1.7121 2.1837 2.1837 3.2649 3.2649 3.5235 3.5235 3.9440 3.9440 3.9798 3.9798 4.1781 4.1781 4.2623 4.2623 4.6804 4.6804 4.7729 4.7729 5.0330 5.0330 5.2929 5.2929 5.4845 5.4845 5.8408 5.8408 6.2807 6.2807 6.4560 6.4560 13.2580 13.2580 13.8665 13.8665 15.4816 15.4816 16.0024 16.0024 16.1524 16.1524 k = 0.0415-0.1681 0.5564 ( 3436 PWs) bands (ev): -11.8456 -11.8456 -11.3232 -11.3232 -10.6324 -10.6324 -10.3526 -10.3526 -10.0218 -10.0218 -9.9774 -9.9774 0.9384 0.9384 1.1280 1.1280 1.7006 1.7006 2.1842 2.1842 3.3014 3.3014 3.5670 3.5670 3.9956 3.9956 4.0263 4.0263 4.1828 4.1828 4.2760 4.2760 4.6883 4.6883 4.7700 4.7700 5.0345 5.0345 5.3057 5.3057 5.4872 5.4872 5.8554 5.8554 6.2823 6.2823 6.4542 6.4542 13.2311 13.2311 13.8350 13.8350 15.4427 15.4427 15.9644 15.9644 16.0893 16.0893 k = 0.0369-0.1494 0.5564 ( 3438 PWs) bands (ev): -11.8569 -11.8569 -11.3335 -11.3335 -10.6384 -10.6384 -10.3561 -10.3561 -10.0248 -10.0248 -9.9803 -9.9803 0.9282 0.9282 1.1195 1.1195 1.6902 1.6902 2.1843 2.1843 3.3342 3.3342 3.6069 3.6069 4.0441 4.0441 4.0693 4.0693 4.1878 4.1878 4.2885 4.2885 4.6959 4.6959 4.7648 4.7648 5.0346 5.0346 5.3172 5.3172 5.4910 5.4910 5.8700 5.8700 6.2834 6.2834 6.4522 6.4522 13.2064 13.2064 13.8060 13.8060 15.4070 15.4070 15.9295 15.9295 16.0319 16.0319 k = 0.0323-0.1308 0.5564 ( 3440 PWs) bands (ev): -11.8669 -11.8669 -11.3425 -11.3425 -10.6437 -10.6437 -10.3592 -10.3592 -10.0275 -10.0275 -9.9828 -9.9828 0.9191 0.9191 1.1118 1.1118 1.6808 1.6808 2.1841 2.1841 3.3632 3.3632 3.6428 3.6428 4.0888 4.0888 4.1085 4.1085 4.1931 4.1931 4.2994 4.2994 4.7032 4.7032 4.7576 4.7576 5.0332 5.0332 5.3270 5.3270 5.4960 5.4960 5.8843 5.8843 6.2841 6.2841 6.4500 6.4500 13.1841 13.1841 13.7795 13.7795 15.3746 15.3746 15.8978 15.8978 15.9806 15.9806 k = 0.0276-0.1121 0.5564 ( 3442 PWs) bands (ev): -11.8756 -11.8756 -11.3504 -11.3504 -10.6484 -10.6484 -10.3620 -10.3620 -10.0299 -10.0299 -9.9851 -9.9851 0.9112 0.9112 1.1051 1.1051 1.6727 1.6727 2.1837 2.1837 3.3884 3.3884 3.6744 3.6744 4.1289 4.1289 4.1436 4.1436 4.1993 4.1993 4.3086 4.3086 4.7103 4.7103 4.7491 4.7491 5.0306 5.0306 5.3349 5.3349 5.5018 5.5018 5.8978 5.8978 6.2845 6.2845 6.4477 6.4477 13.1644 13.1644 13.7560 13.7560 15.3460 15.3460 15.8697 15.8697 15.9356 15.9356 k = 0.0230-0.0934 0.5564 ( 3438 PWs) bands (ev): -11.8830 -11.8830 -11.3571 -11.3571 -10.6523 -10.6523 -10.3643 -10.3643 -10.0319 -10.0319 -9.9870 -9.9870 0.9044 0.9044 1.0993 1.0993 1.6657 1.6657 2.1833 2.1833 3.4096 3.4096 3.7014 3.7014 4.1625 4.1625 4.1744 4.1744 4.2074 4.2074 4.3158 4.3158 4.7172 4.7172 4.7398 4.7398 5.0272 5.0272 5.3409 5.3409 5.5082 5.5082 5.9102 5.9102 6.2847 6.2847 6.4456 6.4456 13.1474 13.1474 13.7356 13.7356 15.3214 15.3214 15.8455 15.8455 15.8971 15.8971 k = 0.0184-0.0747 0.5564 ( 3440 PWs) bands (ev): -11.8891 -11.8891 -11.3626 -11.3626 -10.6556 -10.6556 -10.3663 -10.3663 -10.0336 -10.0336 -9.9885 -9.9885 0.8988 0.8988 1.0946 1.0946 1.6600 1.6600 2.1828 2.1828 3.4270 3.4270 3.7237 3.7237 4.1850 4.1850 4.2018 4.2018 4.2204 4.2204 4.3208 4.3208 4.7233 4.7233 4.7306 4.7306 5.0233 5.0233 5.3452 5.3452 5.5144 5.5144 5.9209 5.9209 6.2847 6.2847 6.4436 6.4436 13.1333 13.1333 13.7187 13.7187 15.3009 15.3009 15.8254 15.8254 15.8653 15.8653 k = 0.0138-0.0560 0.5564 ( 3430 PWs) bands (ev): -11.8938 -11.8938 -11.3669 -11.3669 -10.6582 -10.6582 -10.3678 -10.3678 -10.0349 -10.0349 -9.9898 -9.9898 0.8944 0.8944 1.0909 1.0909 1.6555 1.6555 2.1823 2.1823 3.4405 3.4405 3.7410 3.7410 4.1961 4.1961 4.2251 4.2251 4.2379 4.2379 4.3236 4.3236 4.7210 4.7210 4.7298 4.7298 5.0195 5.0195 5.3482 5.3482 5.5199 5.5199 5.9297 5.9297 6.2846 6.2846 6.4419 6.4419 13.1222 13.1222 13.7053 13.7053 15.2848 15.2848 15.8095 15.8095 15.8405 15.8405 k = 0.0092-0.0374 0.5564 ( 3440 PWs) bands (ev): -11.8972 -11.8972 -11.3700 -11.3700 -10.6600 -10.6600 -10.3689 -10.3689 -10.0358 -10.0358 -9.9907 -9.9907 0.8913 0.8913 1.0882 1.0882 1.6522 1.6522 2.1819 2.1819 3.4501 3.4501 3.7534 3.7534 4.2015 4.2015 4.2429 4.2429 4.2539 4.2539 4.3246 4.3246 4.7141 4.7141 4.7341 4.7341 5.0164 5.0164 5.3500 5.3500 5.5243 5.5243 5.9362 5.9362 6.2845 6.2845 6.4407 6.4407 13.1142 13.1142 13.6956 13.6956 15.2731 15.2731 15.7981 15.7981 15.8226 15.8226 k = 0.0046-0.0187 0.5564 ( 3438 PWs) bands (ev): -11.8992 -11.8992 -11.3718 -11.3718 -10.6611 -10.6611 -10.3695 -10.3695 -10.0364 -10.0364 -9.9912 -9.9912 0.8894 0.8894 1.0866 1.0866 1.6503 1.6503 2.1817 2.1817 3.4559 3.4559 3.7609 3.7609 4.2042 4.2042 4.2543 4.2543 4.2645 4.2645 4.3245 4.3245 4.7094 4.7094 4.7370 4.7370 5.0142 5.0142 5.3510 5.3510 5.5270 5.5270 5.9402 5.9402 6.2844 6.2844 6.4399 6.4399 13.1094 13.1094 13.6897 13.6897 15.2661 15.2661 15.7912 15.7912 15.8118 15.8118 k = 0.0000 0.0000 0.5564 ( 3434 PWs) bands (ev): -11.8999 -11.8999 -11.3724 -11.3724 -10.6615 -10.6615 -10.3698 -10.3698 -10.0366 -10.0366 -9.9914 -9.9914 0.8888 0.8888 1.0861 1.0861 1.6497 1.6497 2.1816 2.1816 3.4578 3.4578 3.7634 3.7634 4.2051 4.2051 4.2583 4.2583 4.2681 4.2681 4.3243 4.3243 4.7078 4.7078 4.7380 4.7380 5.0135 5.0135 5.3514 5.3514 5.5280 5.5280 5.9415 5.9415 6.2843 6.2843 6.4396 6.4396 13.1078 13.1078 13.6878 13.6878 15.2638 15.2638 15.7889 15.7889 15.8083 15.8083 k = 0.0000 0.0000 0.5564 ( 3434 PWs) bands (ev): -11.8999 -11.8999 -11.3724 -11.3724 -10.6615 -10.6615 -10.3698 -10.3698 -10.0366 -10.0366 -9.9914 -9.9914 0.8888 0.8888 1.0861 1.0861 1.6497 1.6497 2.1816 2.1816 3.4578 3.4578 3.7634 3.7634 4.2051 4.2051 4.2583 4.2583 4.2681 4.2681 4.3243 4.3243 4.7078 4.7078 4.7380 4.7380 5.0135 5.0135 5.3514 5.3514 5.5280 5.5280 5.9415 5.9415 6.2843 6.2843 6.4396 6.4396 13.1078 13.1078 13.6878 13.6878 15.2638 15.2638 15.7889 15.7889 15.8083 15.8083 k = 0.0181 0.0045 0.5564 ( 3437 PWs) bands (ev): -11.8993 -11.8993 -11.3720 -11.3720 -10.6652 -10.6652 -10.3674 -10.3674 -10.0417 -10.0417 -9.9858 -9.9858 0.8864 0.8864 1.0900 1.0900 1.6482 1.6482 2.1842 2.1842 3.4542 3.4542 3.7634 3.7634 4.2029 4.2029 4.2349 4.2349 4.2905 4.2905 4.3257 4.3257 4.7038 4.7038 4.7433 4.7433 5.0141 5.0141 5.3539 5.3539 5.5277 5.5277 5.9410 5.9410 6.2737 6.2737 6.4491 6.4491 13.1089 13.1089 13.6890 13.6890 15.2606 15.2606 15.7640 15.7640 15.8296 15.8296 k = 0.0361 0.0089 0.5564 ( 3432 PWs) bands (ev): -11.8975 -11.8975 -11.3709 -11.3709 -10.6761 -10.6761 -10.3610 -10.3610 -10.0527 -10.0527 -9.9732 -9.9732 0.8799 0.8799 1.1012 1.1012 1.6439 1.6439 2.1919 2.1919 3.4439 3.4439 3.7631 3.7631 4.1955 4.1955 4.2071 4.2071 4.3163 4.3163 4.3298 4.3298 4.6963 4.6963 4.7551 4.7551 5.0160 5.0160 5.3613 5.3613 5.5269 5.5269 5.9393 5.9393 6.2472 6.2472 6.4722 6.4722 13.1124 13.1124 13.6927 13.6927 15.2510 15.2510 15.7284 15.7284 15.8549 15.8549 k = 0.0542 0.0134 0.5564 ( 3428 PWs) bands (ev): -11.8946 -11.8946 -11.3691 -11.3691 -10.6929 -10.6929 -10.3518 -10.3518 -10.0648 -10.0648 -9.9583 -9.9583 0.8706 0.8706 1.1181 1.1181 1.6372 1.6372 2.2043 2.2043 3.4276 3.4276 3.7617 3.7617 4.1727 4.1727 4.1903 4.1903 4.3354 4.3354 4.3421 4.3421 4.6888 4.6888 4.7697 4.7697 5.0189 5.0189 5.3735 5.3735 5.5255 5.5255 5.9365 5.9365 6.2129 6.2129 6.5010 6.5010 13.1181 13.1181 13.6988 13.6988 15.2357 15.2357 15.6894 15.6894 15.8770 15.8770 k = 0.0723 0.0178 0.5564 ( 3430 PWs) bands (ev): -11.8905 -11.8905 -11.3665 -11.3665 -10.7144 -10.7144 -10.3417 -10.3417 -10.0758 -10.0758 -9.9425 -9.9425 0.8599 0.8599 1.1393 1.1393 1.6287 1.6287 2.2207 2.2207 3.4068 3.4068 3.7578 3.7578 4.1413 4.1413 4.1788 4.1788 4.3419 4.3419 4.3677 4.3677 4.6827 4.6827 4.7858 4.7858 5.0223 5.0223 5.3900 5.3900 5.5236 5.5236 5.9325 5.9325 6.1752 6.1752 6.5314 6.5314 13.1261 13.1261 13.7072 13.7072 15.2152 15.2152 15.6477 15.6477 15.8956 15.8956 k = 0.0904 0.0223 0.5564 ( 3430 PWs) bands (ev): -11.8853 -11.8853 -11.3632 -11.3632 -10.7392 -10.7392 -10.3326 -10.3326 -10.0843 -10.0843 -9.9266 -9.9266 0.8488 0.8488 1.1634 1.1634 1.6191 1.6191 2.2404 2.2404 3.3828 3.3828 3.7505 3.7505 4.1085 4.1085 4.1665 4.1665 4.3483 4.3483 4.3937 4.3937 4.6784 4.6784 4.8031 4.8031 5.0258 5.0258 5.4102 5.4102 5.5212 5.5212 5.9276 5.9276 6.1364 6.1364 6.5615 6.5615 13.1363 13.1363 13.7178 13.7178 15.1904 15.1904 15.6037 15.6037 15.9109 15.9109 k = 0.1084 0.0267 0.5564 ( 3432 PWs) bands (ev): -11.8789 -11.8789 -11.3594 -11.3594 -10.7663 -10.7663 -10.3263 -10.3263 -10.0895 -10.0895 -9.9109 -9.9109 0.8383 0.8383 1.1893 1.1893 1.6092 1.6092 2.2627 2.2627 3.3567 3.3567 3.7388 3.7388 4.0754 4.0754 4.1535 4.1535 4.3540 4.3540 4.4203 4.4203 4.6761 4.6761 4.8213 4.8213 5.0287 5.0287 5.4337 5.4337 5.5183 5.5183 5.9215 5.9215 6.0977 6.0977 6.5904 6.5904 13.1486 13.1486 13.7305 13.7305 15.1622 15.1622 15.5578 15.5578 15.9230 15.9230 k = 0.1265 0.0312 0.5564 ( 3428 PWs) bands (ev): -11.8715 -11.8715 -11.3549 -11.3549 -10.7951 -10.7951 -10.3239 -10.3239 -10.0903 -10.0903 -9.8955 -9.8955 0.8287 0.8287 1.2159 1.2159 1.5997 1.5997 2.2867 2.2867 3.3297 3.3297 3.7220 3.7220 4.0426 4.0426 4.1401 4.1401 4.3587 4.3587 4.4475 4.4475 4.6760 4.6760 4.8403 4.8403 5.0305 5.0305 5.4596 5.4596 5.5150 5.5150 5.9144 5.9144 6.0605 6.0605 6.6176 6.6176 13.1630 13.1630 13.7451 13.7451 15.1315 15.1315 15.5103 15.5103 15.9321 15.9321 k = 0.1446 0.0357 0.5564 ( 3423 PWs) bands (ev): -11.8629 -11.8629 -11.3500 -11.3500 -10.8249 -10.8249 -10.3262 -10.3262 -10.0866 -10.0866 -9.8805 -9.8805 0.8205 0.8205 1.2423 1.2423 1.5917 1.5917 2.3115 2.3115 3.3028 3.3028 3.6998 3.6998 4.0108 4.0108 4.1267 4.1267 4.3620 4.3620 4.4753 4.4753 4.6781 4.6781 4.8599 4.8599 5.0307 5.0307 5.4868 5.4868 5.5115 5.5115 5.9063 5.9063 6.0257 6.0257 6.6429 6.6429 13.1792 13.1792 13.7614 13.7614 15.0991 15.0991 15.4617 15.4617 15.9382 15.9382 k = 0.1626 0.0401 0.5564 ( 3422 PWs) bands (ev): -11.8533 -11.8533 -11.3448 -11.3448 -10.8551 -10.8551 -10.3331 -10.3331 -10.0787 -10.0787 -9.8660 -9.8660 0.8138 0.8138 1.2674 1.2674 1.5861 1.5861 2.3365 2.3365 3.2770 3.2770 3.6723 3.6723 3.9806 3.9806 4.1133 4.1133 4.3640 4.3640 4.5034 4.5034 4.6822 4.6822 4.8800 4.8800 5.0287 5.0287 5.5053 5.5053 5.5169 5.5169 5.8973 5.8973 5.9945 5.9945 6.6660 6.6660 13.1973 13.1973 13.7791 13.7791 15.0658 15.0658 15.4121 15.4121 15.9417 15.9417 k = 0.1807 0.0446 0.5564 ( 3421 PWs) bands (ev): -11.8428 -11.8428 -11.3393 -11.3393 -10.8854 -10.8854 -10.3439 -10.3439 -10.0676 -10.0676 -9.8522 -9.8522 0.8089 0.8089 1.2898 1.2898 1.5843 1.5843 2.3607 2.3607 3.2530 3.2530 3.6397 3.6397 3.9524 3.9524 4.1001 4.1001 4.3646 4.3646 4.5313 4.5313 4.6882 4.6882 4.9006 4.9006 5.0240 5.0240 5.5018 5.5018 5.5435 5.5435 5.8874 5.8874 5.9683 5.9683 6.6870 6.6870 13.2168 13.2168 13.7980 13.7980 15.0323 15.0323 15.3621 15.3621 15.9425 15.9425 k = 0.1988 0.0490 0.5564 ( 3424 PWs) bands (ev): -11.8312 -11.8312 -11.3338 -11.3338 -10.9152 -10.9152 -10.3578 -10.3578 -10.0541 -10.0541 -9.8390 -9.8390 0.8057 0.8057 1.3083 1.3083 1.5873 1.5873 2.3833 2.3833 3.2316 3.2316 3.6026 3.6026 3.9264 3.9264 4.0873 4.0873 4.3640 4.3640 4.5586 4.5586 4.6958 4.6958 4.9214 4.9214 5.0165 5.0165 5.4970 5.4970 5.5691 5.5691 5.8767 5.8767 5.9483 5.9483 6.7057 6.7057 13.2378 13.2378 13.8178 13.8178 14.9992 14.9992 15.3121 15.3121 15.9411 15.9411 k = 0.2168 0.0535 0.5564 ( 3423 PWs) bands (ev): -11.8188 -11.8188 -11.3286 -11.3286 -10.9440 -10.9440 -10.3739 -10.3739 -10.0391 -10.0391 -9.8265 -9.8265 0.8044 0.8044 1.3218 1.3218 1.5960 1.5960 2.4036 2.4036 3.2135 3.2135 3.5618 3.5618 3.9029 3.9029 4.0750 4.0750 4.3625 4.3625 4.5847 4.5847 4.7047 4.7047 4.9423 4.9423 5.0063 5.0063 5.4920 5.4920 5.5915 5.5915 5.8652 5.8652 5.9361 5.9361 6.7221 6.7221 13.2598 13.2598 13.8382 13.8382 14.9669 14.9669 15.2625 15.2625 15.9376 15.9376 k = 0.2349 0.0580 0.5564 ( 3419 PWs) bands (ev): -11.8055 -11.8055 -11.3240 -11.3240 -10.9714 -10.9714 -10.3918 -10.3918 -10.0234 -10.0234 -9.8148 -9.8148 0.8051 0.8051 1.3299 1.3299 1.6106 1.6106 2.4209 2.4209 3.1992 3.1992 3.5182 3.5182 3.8819 3.8819 4.0632 4.0632 4.3601 4.3601 4.6089 4.6089 4.7146 4.7146 4.9627 4.9627 4.9939 4.9939 5.4868 5.4868 5.6093 5.6093 5.8532 5.8532 5.9327 5.9327 6.7364 6.7364 13.2825 13.2825 13.8588 13.8588 14.9358 14.9358 15.2139 15.2139 15.9324 15.9324 k = 0.2530 0.0624 0.5564 ( 3417 PWs) bands (ev): -11.7916 -11.7916 -11.3204 -11.3204 -10.9966 -10.9966 -10.4108 -10.4108 -10.0075 -10.0075 -9.8039 -9.8039 0.8076 0.8076 1.3329 1.3329 1.6304 1.6304 2.4346 2.4346 3.1889 3.1889 3.4727 3.4727 3.8637 3.8637 4.0519 4.0519 4.3571 4.3571 4.6301 4.6301 4.7252 4.7252 4.9740 4.9740 4.9888 4.9888 5.4815 5.4815 5.6218 5.6218 5.8407 5.8407 5.9386 5.9386 6.7486 6.7486 13.3055 13.3055 13.8793 13.8793 14.9061 14.9061 15.1671 15.1671 15.9258 15.9258 k = 0.2711 0.0669 0.5564 ( 3407 PWs) bands (ev): -11.7770 -11.7770 -11.3184 -11.3184 -11.0190 -11.0190 -10.4307 -10.4307 -9.9918 -9.9918 -9.7939 -9.7939 0.8121 0.8121 1.3318 1.3318 1.6541 1.6541 2.4446 2.4446 3.1827 3.1827 3.4259 3.4259 3.8485 3.8485 4.0413 4.0413 4.3538 4.3538 4.6472 4.6472 4.7362 4.7362 4.9611 4.9611 5.0070 5.0070 5.4763 5.4763 5.6294 5.6294 5.8277 5.8277 5.9530 5.9530 6.7588 6.7588 13.3283 13.3283 13.8994 13.8994 14.8777 14.8777 15.1229 15.1229 15.9180 15.9180 k = 0.2891 0.0713 0.5564 ( 3406 PWs) bands (ev): -11.7621 -11.7621 -11.3186 -11.3186 -11.0377 -11.0377 -10.4512 -10.4512 -9.9765 -9.9765 -9.7847 -9.7847 0.8185 0.8185 1.3276 1.3276 1.6801 1.6801 2.4508 2.4508 3.1801 3.1801 3.3788 3.3788 3.8366 3.8366 4.0314 4.0314 4.3501 4.3501 4.6587 4.6587 4.7472 4.7472 4.9471 4.9471 5.0271 5.0271 5.4713 5.4713 5.6328 5.6328 5.8144 5.8144 5.9745 5.9745 6.7670 6.7670 13.3504 13.3504 13.9189 13.9189 14.8506 14.8506 15.0825 15.0825 15.9096 15.9096 k = 0.3072 0.0758 0.5564 ( 3402 PWs) bands (ev): -11.7470 -11.7470 -11.3214 -11.3214 -11.0520 -11.0520 -10.4720 -10.4720 -9.9620 -9.9620 -9.7765 -9.7765 0.8268 0.8268 1.3213 1.3213 1.7069 1.7069 2.4536 2.4536 3.1803 3.1803 3.3322 3.3322 3.8283 3.8283 4.0223 4.0223 4.3464 4.3464 4.6630 4.6630 4.7581 4.7581 4.9360 4.9360 5.0469 5.0469 5.4666 5.4666 5.6335 5.6335 5.8010 5.8010 6.0011 6.0011 6.7736 6.7736 13.3710 13.3710 13.9374 13.9374 14.8242 14.8242 15.0470 15.0470 15.9007 15.9007 k = 0.3253 0.0802 0.5564 ( 3398 PWs) bands (ev): -11.7321 -11.7321 -11.3269 -11.3269 -11.0614 -11.0614 -10.4931 -10.4931 -9.9482 -9.9482 -9.7692 -9.7692 0.8369 0.8369 1.3134 1.3134 1.7331 1.7331 2.4536 2.4536 3.1823 3.1823 3.2868 3.2868 3.8241 3.8241 4.0139 4.0139 4.3427 4.3427 4.6590 4.6590 4.7686 4.7686 4.9297 4.9297 5.0660 5.0660 5.4623 5.4623 5.6324 5.6324 5.7874 5.7874 6.0311 6.0311 6.7785 6.7785 13.3894 13.3894 13.9551 13.9551 14.7980 14.7980 15.0179 15.0179 15.8918 15.8918 k = 0.3433 0.0847 0.5564 ( 3403 PWs) bands (ev): -11.7177 -11.7177 -11.3349 -11.3349 -11.0658 -11.0658 -10.5142 -10.5142 -9.9354 -9.9354 -9.7629 -9.7629 0.8487 0.8487 1.3045 1.3045 1.7575 1.7575 2.4517 2.4517 3.1843 3.1843 3.2442 3.2442 3.8240 3.8240 4.0063 4.0063 4.3391 4.3391 4.6472 4.6472 4.7785 4.7785 4.9286 4.9286 5.0841 5.0841 5.4586 5.4586 5.6302 5.6302 5.7740 5.7740 6.0631 6.0631 6.7821 6.7821 13.4047 13.4047 13.9720 13.9720 14.7714 14.7714 14.9961 14.9961 15.8830 15.8830 k = 0.3614 0.0892 0.5564 ( 3401 PWs) bands (ev): -11.7044 -11.7044 -11.3444 -11.3444 -11.0656 -11.0656 -10.5353 -10.5353 -9.9237 -9.9237 -9.7575 -9.7575 0.8623 0.8623 1.2949 1.2949 1.7789 1.7789 2.4488 2.4488 3.1800 3.1800 3.2103 3.2103 3.8280 3.8280 3.9995 3.9995 4.3357 4.3357 4.6293 4.6293 4.7877 4.7877 4.9319 4.9319 5.1010 5.1010 5.4556 5.4556 5.6273 5.6273 5.7609 5.7609 6.0960 6.0960 6.7845 6.7845 13.4159 13.4159 13.9882 13.9882 14.7443 14.7443 14.9824 14.9824 15.8743 15.8743 k = 0.3795 0.0936 0.5564 ( 3405 PWs) bands (ev): -11.6929 -11.6929 -11.3542 -11.3542 -11.0613 -11.0613 -10.5562 -10.5562 -9.9131 -9.9131 -9.7532 -9.7532 0.8774 0.8774 1.2850 1.2850 1.7961 1.7961 2.4457 2.4457 3.1538 3.1538 3.2005 3.2005 3.8358 3.8358 3.9936 3.9936 4.3326 4.3326 4.6078 4.6078 4.7958 4.7958 4.9381 4.9381 5.1165 5.1165 5.4535 5.4535 5.6238 5.6238 5.7483 5.7483 6.1289 6.1289 6.7859 6.7859 13.4222 13.4222 14.0044 14.0044 14.7171 14.7171 14.9765 14.9765 15.8650 15.8650 k = 0.3975 0.0981 0.5564 ( 3405 PWs) bands (ev): -11.6842 -11.6842 -11.3626 -11.3626 -11.0538 -11.0538 -10.5769 -10.5769 -9.9036 -9.9036 -9.7499 -9.7499 0.8940 0.8940 1.2747 1.2747 1.8082 1.8082 2.4432 2.4432 3.1209 3.1209 3.2000 3.2000 3.8466 3.8466 3.9886 3.9886 4.3298 4.3298 4.5856 4.5856 4.8028 4.8028 4.9456 4.9456 5.1304 5.1304 5.4522 5.4522 5.6199 5.6199 5.7366 5.7366 6.1612 6.1612 6.7864 6.7864 13.4227 13.4227 14.0208 14.0208 14.6906 14.6906 14.9778 14.9778 15.8527 15.8527 k = 0.5000 0.1234-0.1264 ( 3410 PWs) bands (ev): -11.8024 -11.8024 -11.6703 -11.6703 -10.4972 -10.4972 -10.3201 -10.3201 -10.1289 -10.1289 -9.8302 -9.8302 0.1408 0.1408 0.6663 0.6663 1.6782 1.6782 2.5203 2.5203 3.7236 3.7236 3.7436 3.7436 3.8550 3.8550 4.1959 4.1959 4.7178 4.7178 4.9302 4.9302 5.0501 5.0501 5.0729 5.0729 5.2391 5.2391 5.3119 5.3119 5.5018 5.5018 5.6963 5.6963 6.1126 6.1126 6.5849 6.5849 13.0305 13.0305 13.0473 13.0473 14.2629 14.2629 15.7880 15.7880 15.8977 15.8977 k = 0.5046 0.1048-0.1264 ( 3408 PWs) bands (ev): -11.8017 -11.8017 -11.6697 -11.6697 -10.4968 -10.4968 -10.3198 -10.3198 -10.1286 -10.1286 -9.8302 -9.8302 0.1417 0.1417 0.6668 0.6668 1.6786 1.6786 2.5208 2.5208 3.7209 3.7209 3.7407 3.7407 3.8544 3.8544 4.1954 4.1954 4.7160 4.7160 4.9295 4.9295 4.9874 4.9874 5.1313 5.1313 5.2400 5.2400 5.3110 5.3110 5.5011 5.5011 5.6963 5.6963 6.1129 6.1129 6.5851 6.5851 13.0317 13.0317 13.0492 13.0492 14.2657 14.2657 15.7906 15.7906 15.9011 15.9011 k = 0.5092 0.0862-0.1264 ( 3408 PWs) bands (ev): -11.7999 -11.7999 -11.6679 -11.6679 -10.4957 -10.4957 -10.3187 -10.3187 -10.1277 -10.1277 -9.8305 -9.8305 0.1442 0.1442 0.6683 0.6683 1.6800 1.6800 2.5224 2.5224 3.7127 3.7127 3.7321 3.7321 3.8524 3.8524 4.1939 4.1939 4.7108 4.7108 4.9101 4.9101 4.9290 4.9290 5.1899 5.1899 5.2449 5.2449 5.3101 5.3101 5.4991 5.4991 5.6963 5.6963 6.1137 6.1137 6.5856 6.5856 13.0353 13.0353 13.0549 13.0549 14.2739 14.2739 15.7983 15.7983 15.9111 15.9111 k = 0.5138 0.0676-0.1264 ( 3406 PWs) bands (ev): -11.7968 -11.7968 -11.6648 -11.6648 -10.4938 -10.4938 -10.3169 -10.3169 -10.1262 -10.1262 -9.8308 -9.8308 0.1484 0.1484 0.6708 0.6708 1.6823 1.6823 2.5251 2.5251 3.6991 3.6991 3.7180 3.7180 3.8489 3.8489 4.1917 4.1917 4.7021 4.7021 4.8324 4.8324 4.9246 4.9246 5.2192 5.2192 5.2616 5.2616 5.3208 5.3208 5.4958 5.4958 5.6964 5.6964 6.1150 6.1150 6.5865 6.5865 13.0413 13.0413 13.0643 13.0643 14.2876 14.2876 15.8110 15.8110 15.9276 15.9276 k = 0.5183 0.0490-0.1264 ( 3414 PWs) bands (ev): -11.7924 -11.7924 -11.6605 -11.6605 -10.4911 -10.4911 -10.3145 -10.3145 -10.1242 -10.1242 -9.8314 -9.8314 0.1542 0.1542 0.6742 0.6742 1.6855 1.6855 2.5288 2.5288 3.6800 3.6800 3.6986 3.6986 3.8437 3.8437 4.1892 4.1892 4.6899 4.6899 4.7519 4.7519 4.9192 4.9192 5.2229 5.2229 5.2664 5.2664 5.3630 5.3630 5.4914 5.4914 5.6967 5.6967 6.1168 6.1168 6.5876 6.5876 13.0495 13.0495 13.0773 13.0773 14.3068 14.3068 15.8287 15.8287 15.9506 15.9506 k = 0.5229 0.0304-0.1264 ( 3420 PWs) bands (ev): -11.7869 -11.7869 -11.6551 -11.6551 -10.4877 -10.4877 -10.3113 -10.3113 -10.1216 -10.1216 -9.8321 -9.8321 0.1617 0.1617 0.6786 0.6786 1.6896 1.6896 2.5336 2.5336 3.6552 3.6552 3.6742 3.6742 3.8366 3.8366 4.1866 4.1866 4.6687 4.6687 4.6749 4.6749 4.9117 4.9117 5.2184 5.2184 5.2596 5.2596 5.4186 5.4186 5.4862 5.4862 5.6973 5.6973 6.1188 6.1188 6.5891 6.5891 13.0599 13.0599 13.0939 13.0939 14.3312 14.3312 15.8512 15.8512 15.9797 15.9797 k = 0.5275 0.0118-0.1264 ( 3418 PWs) bands (ev): -11.7801 -11.7801 -11.6484 -11.6484 -10.4836 -10.4836 -10.3075 -10.3075 -10.1184 -10.1184 -9.8330 -9.8330 0.1709 0.1709 0.6840 0.6840 1.6946 1.6946 2.5393 2.5393 3.6249 3.6249 3.6450 3.6450 3.8273 3.8273 4.1843 4.1843 4.5855 4.5855 4.6553 4.6553 4.9018 4.9018 5.2068 5.2068 5.2526 5.2526 5.4745 5.4745 5.4811 5.4811 5.6982 5.6982 6.1210 6.1210 6.5908 6.5908 13.0725 13.0725 13.1137 13.1137 14.3607 14.3607 15.8783 15.8783 16.0146 16.0146 k = 0.5321-0.0067-0.1264 ( 3424 PWs) bands (ev): -11.7721 -11.7721 -11.6405 -11.6405 -10.4788 -10.4788 -10.3030 -10.3030 -10.1147 -10.1147 -9.8340 -9.8340 0.1817 0.1817 0.6902 0.6902 1.7004 1.7004 2.5460 2.5460 3.5891 3.5891 3.6113 3.6113 3.8156 3.8156 4.1827 4.1827 4.5007 4.5007 4.6329 4.6329 4.8888 4.8888 5.1881 5.1881 5.2485 5.2485 5.4739 5.4739 5.5307 5.5307 5.6996 5.6996 6.1233 6.1233 6.5928 6.5928 13.0869 13.0869 13.1367 13.1367 14.3953 14.3953 15.9098 15.9098 16.0549 16.0549 k = 0.5367-0.0253-0.1264 ( 3424 PWs) bands (ev): -11.7629 -11.7629 -11.6315 -11.6315 -10.4732 -10.4732 -10.2978 -10.2978 -10.1104 -10.1104 -9.8353 -9.8353 0.1941 0.1941 0.6973 0.6973 1.7070 1.7070 2.5535 2.5535 3.5481 3.5481 3.5734 3.5734 3.8010 3.8010 4.1819 4.1819 4.4153 4.4153 4.6074 4.6074 4.8725 4.8725 5.1641 5.1641 5.2465 5.2465 5.4679 5.4679 5.5834 5.5834 5.7013 5.7013 6.1256 6.1256 6.5951 6.5951 13.1032 13.1032 13.1626 13.1626 14.4348 14.4348 15.9453 15.9453 16.0999 16.0999 k = 0.5413-0.0439-0.1264 ( 3422 PWs) bands (ev): -11.7525 -11.7525 -11.6213 -11.6213 -10.4669 -10.4669 -10.2920 -10.2920 -10.1056 -10.1056 -9.8368 -9.8368 0.2082 0.2082 0.7051 0.7051 1.7144 1.7144 2.5619 2.5619 3.5021 3.5021 3.5316 3.5316 3.7832 3.7832 4.1819 4.1819 4.3301 4.3301 4.5791 4.5791 4.8524 4.8524 5.1364 5.1364 5.2456 5.2456 5.4622 5.4622 5.6333 5.6333 5.7034 5.7034 6.1278 6.1278 6.5975 6.5975 13.1210 13.1210 13.1912 13.1912 14.4789 14.4789 15.9847 15.9847 16.1487 16.1487 k = 0.5459-0.0625-0.1264 ( 3422 PWs) bands (ev): -11.7409 -11.7409 -11.6099 -11.6099 -10.4600 -10.4600 -10.2855 -10.2855 -10.1003 -10.1003 -9.8386 -9.8386 0.2238 0.2238 0.7137 0.7137 1.7226 1.7226 2.5710 2.5710 3.4515 3.4515 3.4861 3.4861 3.7613 3.7613 4.1827 4.1827 4.2458 4.2458 4.5482 4.5482 4.8283 4.8283 5.1061 5.1061 5.2452 5.2452 5.4573 5.4573 5.6799 5.6799 5.7062 5.7062 6.1299 6.1299 6.6002 6.6002 13.1403 13.1403 13.2222 13.2222 14.5274 14.5274 16.0274 16.0274 16.1998 16.1998 k = 0.5504-0.0811-0.1264 ( 3426 PWs) bands (ev): -11.7282 -11.7282 -11.5974 -11.5974 -10.4524 -10.4524 -10.2785 -10.2785 -10.0945 -10.0945 -9.8406 -9.8406 0.2409 0.2409 0.7230 0.7230 1.7314 1.7314 2.5808 2.5808 3.3967 3.3967 3.4373 3.4373 3.7345 3.7345 4.1628 4.1628 4.1850 4.1850 4.5151 4.5151 4.8000 4.8000 5.0738 5.0738 5.2450 5.2450 5.4533 5.4533 5.7075 5.7075 5.7249 5.7249 6.1320 6.1320 6.6030 6.6030 13.1609 13.1609 13.2554 13.2554 14.5802 14.5802 16.0730 16.0730 16.2510 16.2510 k = 0.5550-0.0997-0.1264 ( 3426 PWs) bands (ev): -11.7144 -11.7144 -11.5838 -11.5838 -10.4441 -10.4441 -10.2708 -10.2708 -10.0882 -10.0882 -9.8429 -9.8429 0.2596 0.2596 0.7329 0.7329 1.7409 1.7409 2.5911 2.5911 3.3383 3.3383 3.3855 3.3855 3.7013 3.7013 4.0846 4.0846 4.1867 4.1867 4.4803 4.4803 4.7678 4.7678 5.0400 5.0400 5.2451 5.2451 5.4504 5.4504 5.7109 5.7109 5.7645 5.7645 6.1340 6.1340 6.6059 6.6059 13.1825 13.1825 13.2906 13.2906 14.6368 14.6368 16.1209 16.1209 16.2988 16.2988 k = 0.5596-0.1183-0.1264 ( 3438 PWs) bands (ev): -11.6994 -11.6994 -11.5691 -11.5691 -10.4352 -10.4352 -10.2625 -10.2625 -10.0814 -10.0814 -9.8455 -9.8455 0.2798 0.2798 0.7433 0.7433 1.7509 1.7509 2.6018 2.6018 3.2765 3.2765 3.3309 3.3309 3.6602 3.6602 4.0114 4.0114 4.1885 4.1885 4.4444 4.4444 4.7317 4.7317 5.0052 5.0052 5.2451 5.2451 5.4485 5.4485 5.7140 5.7140 5.8009 5.8009 6.1362 6.1362 6.6089 6.6089 13.2049 13.2049 13.3276 13.3276 14.6972 14.6972 16.1706 16.1706 16.3382 16.3382 k = 0.5642-0.1369-0.1264 ( 3434 PWs) bands (ev): -11.6834 -11.6834 -11.5533 -11.5533 -10.4258 -10.4258 -10.2537 -10.2537 -10.0742 -10.0742 -9.8485 -9.8485 0.3014 0.3014 0.7542 0.7542 1.7613 1.7613 2.6127 2.6127 3.2120 3.2120 3.2739 3.2739 3.6094 3.6094 3.9456 3.9456 4.1895 4.1895 4.4085 4.4085 4.6921 4.6921 4.9698 4.9698 5.2452 5.2452 5.4477 5.4477 5.7171 5.7171 5.8333 5.8333 6.1389 6.1389 6.6120 6.6120 13.2280 13.2280 13.3660 13.3660 14.7609 14.7609 16.2212 16.2212 16.3644 16.3644 k = 0.5688-0.1554-0.1264 ( 3432 PWs) bands (ev): -11.6662 -11.6662 -11.5365 -11.5365 -10.4157 -10.4157 -10.2444 -10.2444 -10.0666 -10.0666 -9.8519 -9.8519 0.3244 0.3244 0.7654 0.7654 1.7721 1.7721 2.6237 2.6237 3.1452 3.1452 3.2149 3.2149 3.5484 3.5484 3.8879 3.8879 4.1878 4.1878 4.3742 4.3742 4.6495 4.6495 4.9341 4.9341 5.2453 5.2453 5.4477 5.4477 5.7201 5.7201 5.8615 5.8615 6.1421 6.1421 6.6152 6.6152 13.2515 13.2515 13.4058 13.4058 14.8277 14.8277 16.2721 16.2721 16.3750 16.3750 k = 0.5734-0.1740-0.1264 ( 3426 PWs) bands (ev): -11.6481 -11.6481 -11.5187 -11.5187 -10.4051 -10.4051 -10.2345 -10.2345 -10.0586 -10.0586 -9.8556 -9.8556 0.3489 0.3489 0.7769 0.7769 1.7830 1.7830 2.6346 2.6346 3.0766 3.0766 3.1542 3.1542 3.4779 3.4779 3.8381 3.8381 4.1808 4.1808 4.3445 4.3445 4.6043 4.6043 4.8984 4.8984 5.2452 5.2452 5.4486 5.4486 5.7230 5.7230 5.8851 5.8851 6.1464 6.1464 6.6185 6.6185 13.2753 13.2753 13.4466 13.4466 14.8973 14.8973 16.3222 16.3222 16.3715 16.3715 k = 0.5780-0.1926-0.1264 ( 3428 PWs) bands (ev): -11.6289 -11.6289 -11.4999 -11.4999 -10.3940 -10.3940 -10.2242 -10.2242 -10.0502 -10.0502 -9.8598 -9.8598 0.3746 0.3746 0.7884 0.7884 1.7939 1.7939 2.6449 2.6449 3.0068 3.0068 3.0921 3.0921 3.3999 3.3999 3.7945 3.7945 4.1648 4.1648 4.3231 4.3231 4.5571 4.5571 4.8630 4.8630 5.2451 5.2451 5.4501 5.4501 5.7257 5.7257 5.9038 5.9038 6.1518 6.1518 6.6217 6.6217 13.2992 13.2992 13.4883 13.4883 14.9693 14.9693 16.3568 16.3568 16.3705 16.3705 k = 0.5825-0.2112-0.1264 ( 3428 PWs) bands (ev): -11.6088 -11.6088 -11.4801 -11.4801 -10.3824 -10.3824 -10.2134 -10.2134 -10.0415 -10.0415 -9.8644 -9.8644 0.4017 0.4017 0.8000 0.8000 1.8045 1.8045 2.6543 2.6543 2.9363 2.9363 3.0290 3.0290 3.3166 3.3166 3.7555 3.7555 4.1378 4.1378 4.3120 4.3120 4.5085 4.5085 4.8281 4.8281 5.2448 5.2448 5.4520 5.4520 5.7281 5.7281 5.9175 5.9175 6.1587 6.1587 6.6250 6.6250 13.3229 13.3229 13.5307 13.5307 15.0435 15.0435 16.3337 16.3337 16.4157 16.4157 k = 0.5871-0.2298-0.1264 ( 3426 PWs) bands (ev): -11.5877 -11.5877 -11.4594 -11.4594 -10.3704 -10.3704 -10.2023 -10.2023 -10.0324 -10.0324 -9.8696 -9.8696 0.4299 0.4299 0.8115 0.8115 1.8145 1.8145 2.6623 2.6623 2.8657 2.8657 2.9652 2.9652 3.2301 3.2301 3.7197 3.7197 4.1012 4.1012 4.3098 4.3098 4.4591 4.4591 4.7940 4.7940 5.2444 5.2444 5.4543 5.4543 5.7302 5.7302 5.9263 5.9263 6.1668 6.1668 6.6283 6.6283 13.3464 13.3464 13.5737 13.5737 15.1195 15.1195 16.3039 16.3039 16.4567 16.4567 k = 0.5917-0.2484-0.1264 ( 3424 PWs) bands (ev): -11.5657 -11.5657 -11.4378 -11.4378 -10.3579 -10.3579 -10.1907 -10.1907 -10.0231 -10.0231 -9.8753 -9.8753 0.4593 0.4593 0.8228 0.8228 1.8233 1.8233 2.6682 2.6682 2.7960 2.7960 2.9009 2.9009 3.1423 3.1423 3.6861 3.6861 4.0580 4.0580 4.3133 4.3133 4.4096 4.4096 4.7609 4.7609 5.2438 5.2438 5.4568 5.4568 5.7320 5.7320 5.9305 5.9305 6.1761 6.1761 6.6315 6.6315 13.3695 13.3695 13.6170 13.6170 15.1970 15.1970 16.2688 16.2688 16.4921 16.4921 k = 0.5963-0.2670-0.1264 ( 3426 PWs) bands (ev): -11.5428 -11.5428 -11.4153 -11.4153 -10.3451 -10.3451 -10.1788 -10.1788 -10.0135 -10.0135 -9.8815 -9.8815 0.4898 0.4898 0.8337 0.8337 1.8305 1.8305 2.6705 2.6705 2.7279 2.7279 2.8367 2.8367 3.0549 3.0549 3.6543 3.6543 4.0105 4.0105 4.3193 4.3193 4.3616 4.3616 4.7289 4.7289 5.2430 5.2430 5.4594 5.4594 5.7333 5.7333 5.9305 5.9305 6.1859 6.1859 6.6347 6.6347 13.3920 13.3920 13.6606 13.6606 15.2755 15.2755 16.2294 16.2294 16.5205 16.5205 k = 0.6009-0.2856-0.1264 ( 3430 PWs) bands (ev): -11.5191 -11.5191 -11.3920 -11.3920 -10.3319 -10.3319 -10.1666 -10.1666 -10.0038 -10.0038 -9.8883 -9.8883 0.5212 0.5212 0.8440 0.8440 1.8351 1.8351 2.6620 2.6620 2.6677 2.6677 2.7727 2.7727 2.9707 2.9707 3.6242 3.6242 3.9599 3.9599 4.3054 4.3054 4.3368 4.3368 4.6980 4.6980 5.2419 5.2419 5.4620 5.4620 5.7341 5.7341 5.9269 5.9269 6.1959 6.1959 6.6379 6.6379 13.4139 13.4139 13.7042 13.7042 15.3547 15.3547 16.1867 16.1867 16.5408 16.5408 k = 0.6055-0.3041-0.1264 ( 3428 PWs) bands (ev): -11.4946 -11.4946 -11.3680 -11.3680 -10.3184 -10.3184 -10.1542 -10.1542 -9.9938 -9.9938 -9.8958 -9.8958 0.5536 0.5536 0.8538 0.8538 1.8361 1.8361 2.6013 2.6013 2.6538 2.6538 2.7092 2.7092 2.8941 2.8941 3.5958 3.5958 3.9071 3.9071 4.2607 4.2607 4.3457 4.3457 4.6686 4.6686 5.2406 5.2406 5.4646 5.4646 5.7344 5.7344 5.9202 5.9202 6.2056 6.2056 6.6410 6.6410 13.4349 13.4349 13.7477 13.7477 15.4340 15.4340 16.1412 16.1412 16.5522 16.5522 k = 0.6101-0.3227-0.1264 ( 3432 PWs) bands (ev): -11.4694 -11.4694 -11.3432 -11.3432 -10.3046 -10.3046 -10.1415 -10.1415 -9.9837 -9.9837 -9.9039 -9.9039 0.5868 0.5868 0.8628 0.8628 1.8322 1.8322 2.5458 2.5458 2.6234 2.6234 2.6462 2.6462 2.8326 2.8326 3.5693 3.5693 3.8525 3.8525 4.2154 4.2154 4.3583 4.3583 4.6405 4.6405 5.2389 5.2389 5.4670 5.4670 5.7342 5.7342 5.9110 5.9110 6.2145 6.2145 6.6439 6.6439 13.4550 13.4550 13.7911 13.7911 15.5129 15.5129 16.0938 16.0938 16.5547 16.5547 k = 0.6146-0.3413-0.1264 ( 3440 PWs) bands (ev): -11.4434 -11.4434 -11.3177 -11.3177 -10.2907 -10.2907 -10.1287 -10.1287 -9.9735 -9.9735 -9.9126 -9.9126 0.6206 0.6206 0.8709 0.8709 1.8217 1.8217 2.4979 2.4979 2.5735 2.5735 2.5810 2.5810 2.7915 2.7915 3.5449 3.5449 3.7965 3.7965 4.1718 4.1718 4.3722 4.3722 4.6140 4.6140 5.2368 5.2368 5.4691 5.4691 5.7333 5.7333 5.8995 5.8995 6.2224 6.2224 6.6468 6.6468 13.4742 13.4742 13.8342 13.8342 15.5905 15.5905 16.0449 16.0449 16.5489 16.5489 k = 0.6192-0.3599-0.1264 ( 3442 PWs) bands (ev): -11.4168 -11.4168 -11.2916 -11.2916 -10.2765 -10.2765 -10.1159 -10.1159 -9.9632 -9.9632 -9.9220 -9.9220 0.6551 0.6551 0.8779 0.8779 1.8033 1.8033 2.4591 2.4591 2.5036 2.5036 2.5192 2.5192 2.7661 2.7661 3.5229 3.5229 3.7395 3.7395 4.1304 4.1304 4.3871 4.3871 4.5890 4.5890 5.2344 5.2344 5.4710 5.4710 5.7318 5.7318 5.8861 5.8861 6.2291 6.2291 6.6496 6.6496 13.4923 13.4923 13.8768 13.8768 15.6657 15.6657 15.9952 15.9952 16.5366 16.5366 k = 0.6238-0.3785-0.1264 ( 3450 PWs) bands (ev): -11.3895 -11.3895 -11.2649 -11.2649 -10.2622 -10.2622 -10.1031 -10.1031 -9.9528 -9.9528 -9.9320 -9.9320 0.6900 0.6900 0.8839 0.8839 1.7760 1.7760 2.4220 2.4220 2.4306 2.4306 2.4612 2.4612 2.7481 2.7481 3.5034 3.5034 3.6817 3.6817 4.0916 4.0916 4.4026 4.4026 4.5657 4.5657 5.2315 5.2315 5.4727 5.4727 5.7297 5.7297 5.8711 5.8711 6.2343 6.2343 6.6522 6.6522 13.5093 13.5093 13.9188 13.9188 15.7368 15.7368 15.9451 15.9451 16.5205 16.5205 k = 0.6284-0.3971-0.1264 ( 3448 PWs) bands (ev): -11.3617 -11.3617 -11.2376 -11.2376 -10.2478 -10.2478 -10.0905 -10.0905 -9.9431 -9.9431 -9.9419 -9.9419 0.7252 0.7252 0.8887 0.8887 1.7396 1.7396 2.3367 2.3367 2.4024 2.4024 2.4150 2.4150 2.7323 2.7323 3.4865 3.4865 3.6235 3.6235 4.0554 4.0554 4.4187 4.4187 4.5442 4.5442 5.2282 5.2282 5.4739 5.4739 5.7268 5.7268 5.8546 5.8546 6.2379 6.2379 6.6547 6.6547 13.5251 13.5251 13.9601 13.9601 15.8016 15.8016 15.8954 15.8954 16.5043 16.5043 k = 0.6330-0.4157-0.1264 ( 3450 PWs) bands (ev): -11.3334 -11.3334 -11.2099 -11.2099 -10.2334 -10.2334 -10.0783 -10.0783 -9.9535 -9.9535 -9.9322 -9.9322 0.7605 0.7605 0.8923 0.8923 1.6949 1.6949 2.2502 2.2502 2.3484 2.3484 2.4068 2.4068 2.7161 2.7161 3.4721 3.4721 3.5651 3.5651 4.0220 4.0220 4.4352 4.4352 4.5246 4.5246 5.2243 5.2243 5.4748 5.4748 5.7233 5.7233 5.8369 5.8369 6.2399 6.2399 6.6571 6.6571 13.5397 13.5397 14.0005 14.0005 15.8459 15.8459 15.8572 15.8572 16.4930 16.4930 k = 0.6376-0.4342-0.1264 ( 3446 PWs) bands (ev): -11.3046 -11.3046 -11.1817 -11.1817 -10.2190 -10.2190 -10.0669 -10.0669 -9.9645 -9.9645 -9.9220 -9.9220 0.7957 0.7957 0.8945 0.8945 1.6432 1.6432 2.1637 2.1637 2.2955 2.2955 2.4087 2.4087 2.6987 2.6987 3.4599 3.4599 3.5070 3.5070 3.9915 3.9915 4.4522 4.4522 4.5071 4.5071 5.2198 5.2198 5.4754 5.4754 5.7190 5.7190 5.8181 5.8181 6.2402 6.2402 6.6593 6.6593 13.5531 13.5531 14.0400 14.0400 15.7981 15.7981 15.8984 15.8984 16.4920 16.4920 k = 0.6422-0.4528-0.1264 ( 3448 PWs) bands (ev): -11.2754 -11.2754 -11.1531 -11.1531 -10.2047 -10.2047 -10.0572 -10.0572 -9.9748 -9.9748 -9.9119 -9.9119 0.8307 0.8307 0.8955 0.8955 1.5861 1.5861 2.0780 2.0780 2.2450 2.2450 2.4184 2.4184 2.6799 2.6799 3.4452 3.4452 3.4536 3.4536 3.9637 3.9637 4.4693 4.4693 4.4919 4.4919 5.2147 5.2147 5.4755 5.4755 5.7140 5.7140 5.7984 5.7984 6.2387 6.2387 6.6614 6.6614 13.5654 13.5654 14.0783 14.0783 15.7516 15.7516 15.9229 15.9229 16.5060 16.5060 k = 0.6467-0.4714-0.1264 ( 3450 PWs) bands (ev): -11.2459 -11.2459 -11.1242 -11.1242 -10.1904 -10.1904 -10.0510 -10.0510 -9.9827 -9.9827 -9.9019 -9.9019 0.8651 0.8651 0.8951 0.8951 1.5251 1.5251 1.9936 1.9936 2.1970 2.1970 2.4345 2.4345 2.6598 2.6598 3.3913 3.3913 3.4417 3.4417 3.9386 3.9386 4.4779 4.4779 4.4879 4.4879 5.2090 5.2090 5.4752 5.4752 5.7083 5.7083 5.7778 5.7778 6.2355 6.2355 6.6633 6.6633 13.5764 13.5764 14.1153 14.1153 15.7070 15.7070 15.9293 15.9293 16.5372 16.5372 k = 0.6513-0.4900-0.1264 ( 3454 PWs) bands (ev): -11.2161 -11.2161 -11.0951 -11.0951 -10.1763 -10.1763 -10.0507 -10.0507 -9.9857 -9.9857 -9.8922 -9.8922 0.8932 0.8932 0.8988 0.8988 1.4617 1.4617 1.9108 1.9108 2.1519 2.1519 2.4557 2.4557 2.6388 2.6388 3.3353 3.3353 3.4337 3.4337 3.9162 3.9162 4.4679 4.4679 4.5052 4.5052 5.2025 5.2025 5.4745 5.4745 5.7018 5.7018 5.7565 5.7565 6.2305 6.2305 6.6650 6.6650 13.5862 13.5862 14.1509 14.1509 15.6645 15.6645 15.9201 15.9201 16.5836 16.5836 k = 0.6559-0.5086-0.1264 ( 3462 PWs) bands (ev): -11.1861 -11.1861 -11.0657 -11.0657 -10.1625 -10.1625 -10.0578 -10.0578 -9.9826 -9.9826 -9.8827 -9.8827 0.8904 0.8904 0.9311 0.9311 1.3968 1.3968 1.8301 1.8301 2.1097 2.1097 2.4812 2.4812 2.6174 2.6174 3.2806 3.2806 3.4260 3.4260 3.8963 3.8963 4.4602 4.4602 4.5231 4.5231 5.1952 5.1952 5.4734 5.4734 5.6946 5.6946 5.7347 5.7347 6.2238 6.2238 6.6665 6.6665 13.5950 13.5950 14.1848 14.1848 15.6245 15.6245 15.8998 15.8998 16.6408 16.6408 k = 0.6605-0.5272-0.1264 ( 3466 PWs) bands (ev): -11.1559 -11.1559 -11.0363 -11.0363 -10.1488 -10.1488 -10.0705 -10.0705 -9.9750 -9.9750 -9.8735 -9.8735 0.8863 0.8863 0.9621 0.9621 1.3313 1.3313 1.7517 1.7517 2.0706 2.0706 2.5100 2.5100 2.5962 2.5962 3.2275 3.2275 3.4180 3.4180 3.8787 3.8787 4.4553 4.4553 4.5412 4.5412 5.1871 5.1871 5.4718 5.4718 5.6867 5.6867 5.7125 5.7125 6.2153 6.2153 6.6678 6.6678 13.6027 13.6027 14.2168 14.2168 15.5873 15.5873 15.8726 15.8726 16.7029 16.7029 k = 0.6651-0.5458-0.1264 ( 3472 PWs) bands (ev): -11.1256 -11.1256 -11.0067 -11.0067 -10.1355 -10.1355 -10.0866 -10.0866 -9.9652 -9.9652 -9.8646 -9.8646 0.8811 0.8811 0.9911 0.9911 1.2659 1.2659 1.6761 1.6761 2.0348 2.0348 2.5416 2.5416 2.5758 2.5758 3.1765 3.1765 3.4092 3.4092 3.8634 3.8634 4.4533 4.4533 4.5594 4.5594 5.1781 5.1781 5.4699 5.4699 5.6780 5.6780 5.6900 5.6900 6.2051 6.2051 6.6690 6.6690 13.6094 13.6094 14.2469 14.2469 15.5529 15.5529 15.8420 15.8420 16.7596 16.7596 k = 0.6697-0.5644-0.1264 ( 3466 PWs) bands (ev): -11.0953 -11.0953 -10.9772 -10.9772 -10.1226 -10.1226 -10.1051 -10.1051 -9.9544 -9.9544 -9.8560 -9.8560 0.8748 0.8748 1.0176 1.0176 1.2012 1.2012 1.6036 1.6036 2.0024 2.0024 2.5564 2.5564 2.5755 2.5755 3.1278 3.1278 3.3990 3.3990 3.8501 3.8501 4.4545 4.4545 4.5777 4.5777 5.1683 5.1683 5.4675 5.4675 5.6657 5.6657 5.6704 5.6704 6.1931 6.1931 6.6700 6.6700 13.6153 13.6153 14.2746 14.2746 15.5217 15.5217 15.8107 15.8107 16.7883 16.7883 k = 0.6743-0.5829-0.1264 ( 3466 PWs) bands (ev): -11.0650 -11.0650 -10.9478 -10.9478 -10.1254 -10.1254 -10.1100 -10.1100 -9.9433 -9.9433 -9.8478 -9.8478 0.8676 0.8676 1.0409 1.0409 1.1378 1.1378 1.5350 1.5350 1.9734 1.9734 2.5393 2.5393 2.6104 2.6104 3.0821 3.0821 3.3872 3.3872 3.8386 3.8386 4.4586 4.4586 4.5959 4.5959 5.1575 5.1575 5.4646 5.4646 5.6437 5.6437 5.6599 5.6599 6.1795 6.1795 6.6707 6.6707 13.6204 13.6204 14.3000 14.3000 15.4937 15.4937 15.7804 15.7804 16.7719 16.7719 k = 0.6788-0.6015-0.1264 ( 3466 PWs) bands (ev): -11.0348 -11.0348 -10.9185 -10.9185 -10.1471 -10.1471 -10.0979 -10.0979 -9.9321 -9.9321 -9.8401 -9.8401 0.8594 0.8594 1.0599 1.0599 1.0761 1.0761 1.4710 1.4710 1.9478 1.9478 2.5244 2.5244 2.6459 2.6459 3.0401 3.0401 3.3735 3.3735 3.8287 3.8287 4.4657 4.4657 4.6141 4.6141 5.1459 5.1459 5.4613 5.4613 5.6209 5.6209 5.6496 5.6496 6.1643 6.1643 6.6713 6.6713 13.6249 13.6249 14.3227 14.3227 15.4689 15.4689 15.7524 15.7524 16.7305 16.7305 k = 0.6834-0.6201-0.1264 ( 3466 PWs) bands (ev): -11.0048 -11.0048 -10.8894 -10.8894 -10.1700 -10.1700 -10.0863 -10.0863 -9.9210 -9.9210 -9.8328 -9.8328 0.8501 0.8501 1.0166 1.0166 1.0734 1.0734 1.4133 1.4133 1.9256 1.9256 2.5123 2.5123 2.6804 2.6804 3.0033 3.0033 3.3578 3.3578 3.8203 3.8203 4.4756 4.4756 4.6323 4.6323 5.1334 5.1334 5.4576 5.4576 5.5982 5.5982 5.6390 5.6390 6.1475 6.1475 6.6718 6.6718 13.6288 13.6288 14.3425 14.3425 15.4476 15.4476 15.7277 15.7277 16.6810 16.6810 k = 0.6880-0.6387-0.1264 ( 3470 PWs) bands (ev): -10.9750 -10.9750 -10.8607 -10.8607 -10.1941 -10.1941 -10.0753 -10.0753 -9.9103 -9.9103 -9.8259 -9.8259 0.8390 0.8390 0.9606 0.9606 1.0790 1.0790 1.3639 1.3639 1.9068 1.9068 2.5034 2.5034 2.7114 2.7114 2.9741 2.9741 3.3399 3.3399 3.8131 3.8131 4.4880 4.4880 4.6504 4.6504 5.1202 5.1202 5.4534 5.4534 5.5757 5.5757 5.6280 5.6280 6.1291 6.1291 6.6720 6.6720 13.6325 13.6325 14.3595 14.3595 15.4297 15.4297 15.7069 15.7069 16.6291 16.6291 k = 0.6926-0.6573-0.1264 ( 3466 PWs) bands (ev): -10.9455 -10.9455 -10.8324 -10.8324 -10.2194 -10.2194 -10.0648 -10.0648 -9.8998 -9.8998 -9.8196 -9.8196 0.8241 0.8241 0.9104 0.9104 1.0739 1.0739 1.3257 1.3257 1.8912 1.8912 2.4980 2.4980 2.7345 2.7345 2.9567 2.9567 3.3201 3.3201 3.8068 3.8068 4.5025 4.5025 4.6683 4.6683 5.1063 5.1063 5.4486 5.4486 5.5535 5.5535 5.6170 5.6170 6.1092 6.1092 6.6721 6.6721 13.6360 13.6360 14.3734 14.3734 15.4151 15.4151 15.6907 15.6907 16.5769 16.5769 k = 0.6972-0.6759-0.1264 ( 3466 PWs) bands (ev): -10.9164 -10.9164 -10.8046 -10.8046 -10.2456 -10.2456 -10.0550 -10.0550 -9.8898 -9.8898 -9.8139 -9.8139 0.8004 0.8004 0.8714 0.8714 1.0563 1.0563 1.3007 1.3007 1.8786 1.8786 2.4961 2.4961 2.7447 2.7447 2.9563 2.9563 3.2984 3.2984 3.8014 3.8014 4.5187 4.5187 4.6861 4.6861 5.0922 5.0922 5.4433 5.4433 5.5316 5.5316 5.6059 5.6059 6.0879 6.0879 6.6720 6.6720 13.6394 13.6394 14.3842 14.3842 15.4039 15.4039 15.6793 15.6793 16.5254 16.5254 k = 0.7018-0.6945-0.1264 ( 3462 PWs) bands (ev): -10.8876 -10.8876 -10.7775 -10.7775 -10.2727 -10.2727 -10.0459 -10.0459 -9.8803 -9.8803 -9.8087 -9.8087 0.7642 0.7642 0.8476 0.8476 1.0276 1.0276 1.2878 1.2878 1.8690 1.8690 2.4980 2.4980 2.7404 2.7404 2.9742 2.9742 3.2752 3.2752 3.7965 3.7965 4.5359 4.5359 4.7038 4.7038 5.0781 5.0781 5.4373 5.4373 5.5103 5.5103 5.5949 5.5949 6.0652 6.0652 6.6718 6.6718 13.6431 13.6431 14.3919 14.3919 15.3960 15.3960 15.6729 15.6729 16.4751 16.4751 k = 0.7064-0.7130-0.1264 ( 3462 PWs) bands (ev): -10.8594 -10.8594 -10.7512 -10.7512 -10.3006 -10.3006 -10.0375 -10.0375 -9.8713 -9.8713 -9.8040 -9.8040 0.7213 0.7213 0.8335 0.8335 0.9917 0.9917 1.2834 1.2834 1.8622 1.8622 2.5033 2.5033 2.7263 2.7263 3.0058 3.0058 3.2508 3.2508 3.7920 3.7920 4.5534 4.5534 4.7212 4.7212 5.0645 5.0645 5.4306 5.4306 5.4893 5.4893 5.5843 5.5843 6.0412 6.0412 6.6714 6.6714 13.6471 13.6471 14.3967 14.3967 15.3912 15.3912 15.6715 15.6715 16.4264 16.4264 k = 0.7109-0.7316-0.1264 ( 3462 PWs) bands (ev): -10.8318 -10.8318 -10.7260 -10.7260 -10.3291 -10.3291 -10.0299 -10.0299 -9.8629 -9.8629 -9.8000 -9.8000 0.6775 0.6775 0.8237 0.8237 0.9522 0.9522 1.2840 1.2840 1.8580 1.8580 2.5119 2.5119 2.7077 2.7077 3.0456 3.0456 3.2256 3.2256 3.7877 3.7877 4.5703 4.5703 4.7384 4.7384 5.0522 5.0522 5.4231 5.4231 5.4689 5.4689 5.5741 5.5741 6.0160 6.0160 6.6710 6.6710 13.6517 13.6517 14.3988 14.3988 15.3896 15.3896 15.6750 15.6750 16.3795 16.3795 k = 0.7155-0.7502-0.1264 ( 3464 PWs) bands (ev): -10.8048 -10.8048 -10.7020 -10.7020 -10.3580 -10.3580 -10.0231 -10.0231 -9.8551 -9.8551 -9.7966 -9.7966 0.6351 0.6351 0.8161 0.8161 0.9120 0.9120 1.2872 1.2872 1.8562 1.8562 2.5234 2.5234 2.6881 2.6881 3.0902 3.0902 3.2002 3.2002 3.7834 3.7834 4.5854 4.5854 4.7553 4.7553 5.0420 5.0420 5.4147 5.4147 5.4490 5.4490 5.5647 5.5647 5.9896 5.9896 6.6704 6.6704 13.6569 13.6569 14.3982 14.3982 15.3910 15.3910 15.6833 15.6833 16.3346 16.3346 k = 0.7201-0.7688-0.1264 ( 3460 PWs) bands (ev): -10.7785 -10.7785 -10.6799 -10.6799 -10.3867 -10.3867 -10.0171 -10.0171 -9.8479 -9.8479 -9.7939 -9.7939 0.5950 0.5950 0.8101 0.8101 0.8725 0.8725 1.2918 1.2918 1.8570 1.8570 2.5371 2.5371 2.6692 2.6692 3.1376 3.1376 3.1752 3.1752 3.7790 3.7790 4.5976 4.5976 4.7718 4.7718 5.0351 5.0351 5.4054 5.4054 5.4296 5.4296 5.5560 5.5560 5.9621 5.9621 6.6697 6.6697 13.6630 13.6630 14.3953 14.3953 15.3951 15.3951 15.6962 15.6962 16.2919 16.2919 k = 0.7247-0.7874-0.1264 ( 3460 PWs) bands (ev): -10.7529 -10.7529 -10.6603 -10.6603 -10.4146 -10.4146 -10.0120 -10.0120 -9.8413 -9.8413 -9.7918 -9.7918 0.5576 0.5576 0.8054 0.8054 0.8347 0.8347 1.2971 1.2971 1.8602 1.8602 2.5521 2.5521 2.6520 2.6520 3.1511 3.1511 3.1870 3.1870 3.7745 3.7745 4.6055 4.6055 4.7880 4.7880 5.0325 5.0325 5.3951 5.3951 5.4107 5.4107 5.5483 5.5483 5.9336 5.9336 6.6689 6.6689 13.6702 13.6702 14.3902 14.3902 15.4020 15.4020 15.7132 15.7132 16.2516 16.2516 k = 0.7293-0.8060-0.1264 ( 3468 PWs) bands (ev): -10.7282 -10.7282 -10.6446 -10.6446 -10.4403 -10.4403 -10.0078 -10.0078 -9.8355 -9.8355 -9.7903 -9.7903 0.5231 0.5231 0.7992 0.7992 0.8021 0.8021 1.3028 1.3028 1.8659 1.8659 2.5677 2.5677 2.6371 2.6371 3.1292 3.1292 3.2373 3.2373 3.7697 3.7697 4.6082 4.6082 4.8038 4.8038 5.0352 5.0352 5.3834 5.3834 5.3927 5.3927 5.5417 5.5417 5.9043 5.9043 6.6681 6.6681 13.6785 13.6785 14.3833 14.3833 15.4115 15.4115 15.7342 15.7342 16.2138 16.2138 k = 0.7339-0.8246-0.1264 ( 3464 PWs) bands (ev): -10.7043 -10.7043 -10.6351 -10.6351 -10.4615 -10.4615 -10.0045 -10.0045 -9.8303 -9.8303 -9.7895 -9.7895 0.4917 0.4917 0.7665 0.7665 0.7999 0.7999 1.3087 1.3087 1.8741 1.8741 2.5826 2.5826 2.6249 2.6249 3.1104 3.1104 3.2884 3.2884 3.7646 3.7646 4.6050 4.6050 4.8191 4.8191 5.0437 5.0437 5.3692 5.3692 5.3769 5.3769 5.5361 5.5361 5.8742 5.8742 6.6673 6.6673 13.6881 13.6881 14.3747 14.3747 15.4233 15.4233 15.7586 15.7586 16.1788 16.1788 k = 0.2661-1.0787 0.0000 ( 3464 PWs) bands (ev): -10.7043 -10.7043 -10.6351 -10.6351 -10.4615 -10.4615 -10.0045 -10.0045 -9.8303 -9.8303 -9.7895 -9.7895 0.4917 0.4917 0.7665 0.7665 0.7999 0.7999 1.3087 1.3087 1.8741 1.8741 2.5826 2.5826 2.6249 2.6249 3.1104 3.1104 3.2884 3.2884 3.7646 3.7646 4.6050 4.6050 4.8191 4.8191 5.0437 5.0437 5.3692 5.3692 5.3769 5.3769 5.5361 5.5361 5.8742 5.8742 6.6673 6.6673 13.6881 13.6881 14.3747 14.3747 15.4233 15.4233 15.7586 15.7586 16.1788 16.1788 k = 0.2615-1.0601 0.0000 ( 3456 PWs) bands (ev): -10.6813 -10.6813 -10.6350 -10.6350 -10.4751 -10.4751 -10.0021 -10.0021 -9.8258 -9.8258 -9.7894 -9.7894 0.4636 0.4636 0.7366 0.7366 0.7991 0.7991 1.3147 1.3147 1.8848 1.8848 2.5952 2.5952 2.6160 2.6160 3.0957 3.0957 3.3398 3.3398 3.7591 3.7591 4.5958 4.5958 4.8338 4.8338 5.0580 5.0580 5.3523 5.3523 5.3635 5.3635 5.5314 5.5314 5.8434 5.8434 6.6664 6.6664 13.6991 13.6991 14.3645 14.3645 15.4374 15.4374 15.7860 15.7860 16.1467 16.1467 k = 0.2570-1.0415 0.0000 ( 3460 PWs) bands (ev): -10.6593 -10.6593 -10.6465 -10.6465 -10.4788 -10.4788 -10.0007 -10.0007 -9.8221 -9.8221 -9.7899 -9.7899 0.4388 0.4388 0.7097 0.7097 0.7997 0.7997 1.3207 1.3207 1.8981 1.8981 2.6022 2.6022 2.6128 2.6128 3.0864 3.0864 3.3911 3.3911 3.7533 3.7533 4.5812 4.5812 4.8478 4.8478 5.0776 5.0776 5.3344 5.3344 5.3510 5.3510 5.5278 5.5278 5.8122 5.8122 6.6655 6.6655 13.7115 13.7115 14.3530 14.3530 15.4536 15.4536 15.8161 15.8161 16.1181 16.1181 k = 0.2524-1.0229 0.0000 ( 3460 PWs) bands (ev): -10.6682 -10.6682 -10.6382 -10.6382 -10.4741 -10.4741 -10.0002 -10.0002 -9.8191 -9.8191 -9.7911 -9.7911 0.4173 0.4173 0.6859 0.6859 0.8016 0.8016 1.3268 1.3268 1.9139 1.9139 2.6017 2.6017 2.6164 2.6164 3.0832 3.0832 3.4421 3.4421 3.7473 3.7473 4.5620 4.5620 4.8610 4.8610 5.1016 5.1016 5.3162 5.3162 5.3389 5.3389 5.5250 5.5250 5.7806 5.7806 6.6647 6.6647 13.7255 13.7255 14.3401 14.3401 15.4718 15.4718 15.8479 15.8479 16.0934 16.0934 k = 0.2478-1.0043 0.0000 ( 3462 PWs) bands (ev): -10.6968 -10.6968 -10.6183 -10.6183 -10.4642 -10.4642 -10.0007 -10.0007 -9.8168 -9.8168 -9.7929 -9.7929 0.3993 0.3993 0.6654 0.6654 0.8048 0.8048 1.3327 1.3327 1.9321 1.9321 2.6014 2.6014 2.6188 2.6188 3.0867 3.0867 3.4923 3.4923 3.7413 3.7413 4.5390 4.5390 4.8733 4.8733 5.1291 5.1291 5.2979 5.2979 5.3273 5.3273 5.5230 5.5230 5.7488 5.7488 6.6638 6.6638 13.7411 13.7411 14.3259 14.3259 15.4917 15.4917 15.8804 15.8804 16.0739 16.0739 k = 0.2432-0.9857 0.0000 ( 3466 PWs) bands (ev): -10.7296 -10.7296 -10.5995 -10.5995 -10.4517 -10.4517 -10.0022 -10.0022 -9.8153 -9.8153 -9.7953 -9.7953 0.3848 0.3848 0.6481 0.6481 0.8093 0.8093 1.3384 1.3384 1.9527 1.9527 2.6034 2.6034 2.6183 2.6183 3.0967 3.0967 3.5413 3.5413 3.7356 3.7356 4.5131 4.5131 4.8845 4.8845 5.1591 5.1591 5.2793 5.2793 5.3165 5.3165 5.5217 5.5217 5.7172 5.7172 6.6631 6.6631 13.7583 13.7583 14.3104 14.3104 15.5134 15.5134 15.9112 15.9112 16.0617 16.0617 k = 0.2386-0.9671 0.0000 ( 3466 PWs) bands (ev): -10.7652 -10.7652 -10.5817 -10.5817 -10.4381 -10.4381 -10.0047 -10.0047 -9.8145 -9.8145 -9.7984 -9.7984 0.3738 0.3738 0.6340 0.6340 0.8152 0.8152 1.3437 1.3437 1.9754 1.9754 2.6066 2.6066 2.6169 2.6169 3.1126 3.1126 3.5882 3.5882 3.7310 3.7310 4.4852 4.4852 4.8946 4.8946 5.1908 5.1908 5.2605 5.2605 5.3067 5.3067 5.5212 5.5212 5.6859 5.6859 6.6624 6.6624 13.7771 13.7771 14.2934 14.2934 15.5365 15.5365 15.9359 15.9359 16.0613 16.0613 k = 0.2340-0.9485 0.0000 ( 3468 PWs) bands (ev): -10.8026 -10.8026 -10.5652 -10.5652 -10.4244 -10.4244 -10.0081 -10.0081 -9.8145 -9.8145 -9.8021 -9.8021 0.3663 0.3663 0.6231 0.6231 0.8224 0.8224 1.3485 1.3485 2.0000 2.0000 2.6057 2.6057 2.6212 2.6212 3.1334 3.1334 3.6307 3.6307 3.7296 3.7296 4.4559 4.4559 4.9034 4.9034 5.2232 5.2232 5.2415 5.2415 5.2981 5.2981 5.5212 5.5212 5.6554 5.6554 6.6617 6.6617 13.7975 13.7975 14.2748 14.2748 15.5611 15.5611 15.9496 15.9496 16.0775 16.0775 k = 0.2294-0.9299 0.0000 ( 3464 PWs) bands (ev): -10.8413 -10.8413 -10.5498 -10.5498 -10.4110 -10.4110 -10.0125 -10.0125 -9.8151 -9.8151 -9.8064 -9.8064 0.3622 0.3622 0.6153 0.6153 0.8307 0.8307 1.3526 1.3526 2.0260 2.0260 2.6018 2.6018 2.6318 2.6318 3.1578 3.1578 3.6629 3.6629 3.7371 3.7371 4.4257 4.4257 4.9109 4.9109 5.2213 5.2213 5.2563 5.2563 5.2911 5.2911 5.5219 5.5219 5.6261 5.6261 6.6612 6.6612 13.8194 13.8194 14.2545 14.2545 15.5870 15.5870 15.9537 15.9537 16.1090 16.1090 k = 0.2248-0.9113 0.0000 ( 3466 PWs) bands (ev): -10.8809 -10.8809 -10.5356 -10.5356 -10.3981 -10.3981 -10.0178 -10.0178 -9.8165 -9.8165 -9.8113 -9.8113 0.3617 0.3617 0.6106 0.6106 0.8402 0.8402 1.3558 1.3558 2.0530 2.0530 2.5990 2.5990 2.6460 2.6460 3.1848 3.1848 3.6773 3.6773 3.7612 3.7612 4.3953 4.3953 4.9169 4.9169 5.2011 5.2011 5.2852 5.2852 5.2884 5.2884 5.5232 5.5232 5.5991 5.5991 6.6608 6.6608 13.8428 13.8428 14.2324 14.2324 15.6142 15.6142 15.9540 15.9540 16.1502 16.1502 k = 0.2202-0.8927 0.0000 ( 3462 PWs) bands (ev): -10.9213 -10.9213 -10.5227 -10.5227 -10.3861 -10.3861 -10.0240 -10.0240 -9.8185 -9.8185 -9.8167 -9.8167 0.3646 0.3646 0.6089 0.6089 0.8508 0.8508 1.3579 1.3579 2.0804 2.0804 2.5995 2.5995 2.6634 2.6634 3.2133 3.2133 3.6792 3.6792 3.7963 3.7963 4.3650 4.3650 4.9217 4.9217 5.1802 5.1802 5.2820 5.2820 5.3171 5.3171 5.5252 5.5252 5.5756 5.5756 6.6605 6.6605 13.8675 13.8675 14.2082 14.2082 15.6425 15.6425 15.9543 15.9543 16.1970 16.1970 k = 0.2157-0.8741 0.0000 ( 3458 PWs) bands (ev): -10.9622 -10.9622 -10.5110 -10.5110 -10.3750 -10.3750 -10.0311 -10.0311 -9.8226 -9.8226 -9.8212 -9.8212 0.3710 0.3710 0.6099 0.6099 0.8623 0.8623 1.3587 1.3587 2.1077 2.1077 2.6049 2.6049 2.6838 2.6838 3.2424 3.2424 3.6770 3.6770 3.8341 3.8341 4.3354 4.3354 4.9252 4.9252 5.1586 5.1586 5.2802 5.2802 5.3413 5.3413 5.5278 5.5278 5.5581 5.5581 6.6603 6.6603 13.8933 13.8933 14.1818 14.1818 15.6720 15.6720 15.9565 15.9565 16.2478 16.2478 k = 0.2111-0.8555 0.0000 ( 3460 PWs) bands (ev): -11.0036 -11.0036 -10.5005 -10.5005 -10.3648 -10.3648 -10.0391 -10.0391 -9.8291 -9.8291 -9.8246 -9.8246 0.3807 0.3807 0.6135 0.6135 0.8746 0.8746 1.3581 1.3581 2.1344 2.1344 2.6163 2.6163 2.7071 2.7071 3.2713 3.2713 3.6739 3.6739 3.8713 3.8713 4.3069 4.3069 4.9276 4.9276 5.1362 5.1362 5.2800 5.2800 5.3570 5.3570 5.5312 5.5312 5.5499 5.5499 6.6603 6.6603 13.9202 13.9202 14.1529 14.1529 15.7026 15.7026 15.9614 15.9614 16.3015 16.3015 k = 0.2065-0.8369 0.0000 ( 3462 PWs) bands (ev): -11.0452 -11.0452 -10.4912 -10.4912 -10.3556 -10.3556 -10.0479 -10.0479 -9.8360 -9.8360 -9.8286 -9.8286 0.3938 0.3938 0.6196 0.6196 0.8876 0.8876 1.3560 1.3560 2.1601 2.1601 2.6347 2.6347 2.7333 2.7333 3.2993 3.2993 3.6711 3.6711 3.9067 3.9067 4.2800 4.2800 4.9292 4.9292 5.1129 5.1129 5.2813 5.2813 5.3614 5.3614 5.5354 5.5354 5.5540 5.5540 6.6604 6.6604 13.9479 13.9479 14.1215 14.1215 15.7343 15.7343 15.9695 15.9695 16.3578 16.3578 k = 0.2019-0.8183 0.0000 ( 3462 PWs) bands (ev): -11.0871 -11.0871 -10.4832 -10.4832 -10.3475 -10.3475 -10.0574 -10.0574 -9.8434 -9.8434 -9.8332 -9.8332 0.4101 0.4101 0.6277 0.6277 0.9012 0.9012 1.3525 1.3525 2.1847 2.1847 2.6605 2.6605 2.7621 2.7621 3.3257 3.3257 3.6693 3.6693 3.9397 3.9397 4.2551 4.2551 4.9303 4.9303 5.0888 5.0888 5.2839 5.2839 5.3548 5.3548 5.5406 5.5406 5.5700 5.5700 6.6607 6.6607 13.9762 13.9762 14.0874 14.0874 15.7672 15.7672 15.9809 15.9809 16.4165 16.4165 k = 0.1973-0.7997 0.0000 ( 3466 PWs) bands (ev): -11.1291 -11.1291 -10.4764 -10.4764 -10.3404 -10.3404 -10.0677 -10.0677 -9.8513 -9.8513 -9.8383 -9.8383 0.4295 0.4295 0.6375 0.6375 0.9152 0.9152 1.3476 1.3476 2.2085 2.2085 2.6939 2.6939 2.7935 2.7935 3.3500 3.3500 3.6688 3.6688 3.9699 3.9699 4.2329 4.2329 4.9311 4.9311 5.0638 5.0638 5.2873 5.2873 5.3410 5.3410 5.5469 5.5469 5.5942 5.5942 6.6611 6.6611 14.0048 14.0048 14.0505 14.0505 15.8014 15.8014 15.9956 15.9956 16.4774 16.4774 k = 0.1927-0.7811 0.0000 ( 3466 PWs) bands (ev): -11.1712 -11.1712 -10.4707 -10.4707 -10.3344 -10.3344 -10.0788 -10.0788 -9.8595 -9.8595 -9.8441 -9.8441 0.4520 0.4520 0.6486 0.6486 0.9294 0.9294 1.3417 1.3417 2.2319 2.2319 2.7344 2.7344 2.8273 2.8273 3.3716 3.3716 3.6701 3.6701 3.9971 3.9971 4.2137 4.2137 4.9319 4.9319 5.0379 5.0379 5.2914 5.2914 5.3234 5.3234 5.5545 5.5545 5.6231 5.6231 6.6616 6.6616 14.0102 14.0102 14.0339 14.0339 15.8369 15.8369 16.0134 16.0134 16.5403 16.5403 k = 0.1881-0.7625 0.0000 ( 3466 PWs) bands (ev): -11.2132 -11.2132 -10.4663 -10.4663 -10.3295 -10.3295 -10.0904 -10.0904 -9.8681 -9.8681 -9.8503 -9.8503 0.4775 0.4775 0.6605 0.6605 0.9437 0.9437 1.3353 1.3353 2.2554 2.2554 2.7816 2.7816 2.8636 2.8636 3.3899 3.3899 3.6734 3.6734 4.0211 4.0211 4.1980 4.1980 4.9328 4.9328 5.0113 5.0113 5.2948 5.2948 5.3051 5.3051 5.5636 5.5636 5.6544 5.6544 6.6623 6.6623 13.9675 13.9675 14.0622 14.0622 15.8740 15.8740 16.0342 16.0342 16.6051 16.6051 k = 0.1835-0.7439 0.0000 ( 3464 PWs) bands (ev): -11.2551 -11.2551 -10.4629 -10.4629 -10.3255 -10.3255 -10.1027 -10.1027 -9.8771 -9.8771 -9.8570 -9.8570 0.5058 0.5058 0.6725 0.6725 0.9578 0.9578 1.3290 1.3290 2.2794 2.2794 2.8346 2.8346 2.9020 2.9020 3.4048 3.4048 3.6789 3.6789 4.0421 4.0421 4.1862 4.1862 4.9340 4.9340 4.9841 4.9841 5.2831 5.2831 5.3014 5.3014 5.5743 5.5743 5.6870 5.6870 6.6631 6.6631 13.9217 13.9217 14.0901 14.0901 15.9127 15.9127 16.0576 16.0576 16.6713 16.6713 k = 0.1790-0.7253 0.0000 ( 3464 PWs) bands (ev): -11.2968 -11.2968 -10.4607 -10.4607 -10.3226 -10.3226 -10.1155 -10.1155 -9.8864 -9.8864 -9.8641 -9.8641 0.5368 0.5368 0.6838 0.6838 0.9718 0.9718 1.3236 1.3236 2.3044 2.3044 2.8928 2.8928 2.9426 2.9426 3.4159 3.4159 3.6871 3.6871 4.0599 4.0599 4.1785 4.1785 4.9353 4.9353 4.9566 4.9566 5.2640 5.2640 5.3052 5.3052 5.5869 5.5869 5.7201 5.7201 6.6640 6.6640 13.8728 13.8728 14.1171 14.1171 15.9532 15.9532 16.0830 16.0830 16.7379 16.7379 k = 0.1744-0.7067 0.0000 ( 3462 PWs) bands (ev): -11.3382 -11.3382 -10.4596 -10.4596 -10.3206 -10.3206 -10.1288 -10.1288 -9.8959 -9.8959 -9.8717 -9.8717 0.5703 0.5703 0.6937 0.6937 0.9853 0.9853 1.3201 1.3201 2.3305 2.3305 2.9554 2.9554 2.9850 2.9850 3.4232 3.4232 3.6979 3.6979 4.0748 4.0748 4.1750 4.1750 4.9263 4.9263 4.9394 4.9394 5.2452 5.2452 5.3088 5.3088 5.6013 5.6013 5.7532 5.7532 6.6651 6.6651 13.8209 13.8209 14.1428 14.1428 15.9957 15.9957 16.1099 16.1099 16.8016 16.8016 k = 0.1698-0.6881 0.0000 ( 3470 PWs) bands (ev): -11.3794 -11.3794 -10.4595 -10.4595 -10.3196 -10.3196 -10.1426 -10.1426 -9.9057 -9.9057 -9.8796 -9.8796 0.6062 0.6062 0.7013 0.7013 0.9982 0.9982 1.3194 1.3194 2.3579 2.3579 3.0215 3.0215 3.0297 3.0297 3.4270 3.4270 3.7118 3.7118 4.0869 4.0869 4.1757 4.1757 4.8986 4.8986 4.9410 4.9410 5.2272 5.2272 5.3118 5.3118 5.6176 5.6176 5.7860 5.7860 6.6662 6.6662 13.7661 13.7661 14.1671 14.1671 16.0404 16.0404 16.1373 16.1373 16.8483 16.8483 k = 0.1652-0.6695 0.0000 ( 3474 PWs) bands (ev): -11.4202 -11.4202 -10.4604 -10.4604 -10.3195 -10.3195 -10.1568 -10.1568 -9.9158 -9.9158 -9.8879 -9.8879 0.6444 0.6444 0.7058 0.7058 1.0103 1.0103 1.3225 1.3225 2.3863 2.3863 3.0745 3.0745 3.0926 3.0926 3.4275 3.4275 3.7288 3.7288 4.0965 4.0965 4.1804 4.1804 4.8702 4.8702 4.9437 4.9437 5.2102 5.2102 5.3139 5.3139 5.6359 5.6359 5.8183 5.8183 6.6675 6.6675 13.7083 13.7083 14.1894 14.1894 16.0874 16.0874 16.1639 16.1639 16.8491 16.8491 k = 0.1606-0.6509 0.0000 ( 3474 PWs) bands (ev): -11.4605 -11.4605 -10.4622 -10.4622 -10.3202 -10.3202 -10.1713 -10.1713 -9.9260 -9.9260 -9.8964 -9.8964 0.6846 0.6846 0.7064 0.7064 1.0216 1.0216 1.3302 1.3302 2.4156 2.4156 3.1218 3.1218 3.1654 3.1654 3.4255 3.4255 3.7491 3.7491 4.1039 4.1039 4.1886 4.1886 4.8417 4.8417 4.9466 4.9466 5.1942 5.1942 5.3152 5.3152 5.6561 5.6561 5.8501 5.8501 6.6689 6.6689 13.6478 13.6478 14.2096 14.2096 16.1369 16.1369 16.1879 16.1879 16.8214 16.8214 k = 0.1560-0.6323 0.0000 ( 3468 PWs) bands (ev): -11.5004 -11.5004 -10.4649 -10.4649 -10.3218 -10.3218 -10.1861 -10.1861 -9.9364 -9.9364 -9.9052 -9.9052 0.7027 0.7027 0.7267 0.7267 1.0320 1.0320 1.3430 1.3430 2.4456 2.4456 3.1702 3.1702 3.2409 3.2409 3.4215 3.4215 3.7728 3.7728 4.1094 4.1094 4.2000 4.2000 4.8136 4.8136 4.9496 4.9496 5.1794 5.1794 5.3155 5.3155 5.6781 5.6781 5.8812 5.8812 6.6703 6.6703 13.5846 13.5846 14.2275 14.2275 16.1889 16.1889 16.2071 16.2071 16.7909 16.7909 k = 0.1514-0.6137 0.0000 ( 3478 PWs) bands (ev): -11.5397 -11.5397 -10.4684 -10.4684 -10.3241 -10.3241 -10.2011 -10.2011 -9.9469 -9.9469 -9.9143 -9.9143 0.6946 0.6946 0.7704 0.7704 1.0412 1.0412 1.3612 1.3612 2.4758 2.4758 3.2197 3.2197 3.3182 3.3182 3.4165 3.4165 3.7999 3.7999 4.1135 4.1135 4.2139 4.2139 4.7860 4.7860 4.9525 4.9525 5.1658 5.1658 5.3150 5.3150 5.7016 5.7016 5.9115 5.9115 6.6718 6.6718 13.5188 13.5188 14.2427 14.2427 16.2183 16.2183 16.2433 16.2433 16.7664 16.7664 k = 0.1468-0.5952 0.0000 ( 3478 PWs) bands (ev): -11.5784 -11.5784 -10.4727 -10.4727 -10.3271 -10.3271 -10.2163 -10.2163 -9.9575 -9.9575 -9.9236 -9.9236 0.6823 0.6823 0.8156 0.8156 1.0494 1.0494 1.3846 1.3846 2.5058 2.5058 3.2702 3.2702 3.3940 3.3940 3.4145 3.4145 3.8304 3.8304 4.1164 4.1164 4.2299 4.2299 4.7590 4.7590 4.9552 4.9552 5.1534 5.1534 5.3135 5.3135 5.7266 5.7266 5.9409 5.9409 6.6733 6.6733 13.4505 13.4505 14.2551 14.2551 16.2190 16.2190 16.3000 16.3000 16.7520 16.7520 k = 0.1422-0.5766 0.0000 ( 3468 PWs) bands (ev): -11.6164 -11.6164 -10.4777 -10.4777 -10.3308 -10.3308 -10.2316 -10.2316 -9.9682 -9.9682 -9.9330 -9.9330 0.6662 0.6662 0.8619 0.8619 1.0564 1.0564 1.4129 1.4129 2.5352 2.5352 3.3213 3.3213 3.4038 3.4038 3.4803 3.4803 3.8642 3.8642 4.1188 4.1188 4.2476 4.2476 4.7330 4.7330 4.9578 4.9578 5.1424 5.1424 5.3113 5.3113 5.7527 5.7527 5.9695 5.9695 6.6749 6.6749 13.3800 13.3800 14.2648 14.2648 16.2070 16.2070 16.3588 16.3588 16.7499 16.7499 k = 0.1377-0.5580 0.0000 ( 3462 PWs) bands (ev): -11.6537 -11.6537 -10.4834 -10.4834 -10.3351 -10.3351 -10.2469 -10.2469 -9.9789 -9.9789 -9.9425 -9.9425 0.6467 0.6467 0.9091 0.9091 1.0623 1.0623 1.4453 1.4453 2.5634 2.5634 3.3729 3.3729 3.4004 3.4004 3.5617 3.5617 3.9011 3.9011 4.1209 4.1209 4.2663 4.2663 4.7081 4.7081 4.9601 4.9601 5.1329 5.1329 5.3083 5.3083 5.7798 5.7798 5.9971 5.9971 6.6765 6.6765 13.3072 13.3072 14.2715 14.2715 16.1822 16.1822 16.4190 16.4190 16.7601 16.7601 k = 0.1331-0.5394 0.0000 ( 3462 PWs) bands (ev): -11.6903 -11.6903 -10.4896 -10.4896 -10.3399 -10.3399 -10.2623 -10.2623 -9.9896 -9.9896 -9.9521 -9.9521 0.6246 0.6246 0.9567 0.9567 1.0674 1.0674 1.4813 1.4813 2.5900 2.5900 3.3971 3.3971 3.4263 3.4263 3.6440 3.6440 3.9405 3.9405 4.1234 4.1234 4.2858 4.2858 4.6846 4.6846 4.9620 4.9620 5.1250 5.1250 5.3046 5.3046 5.8076 5.8076 6.0238 6.0238 6.6781 6.6781 13.2325 13.2325 14.2753 14.2753 16.1463 16.1463 16.4801 16.4801 16.7805 16.7805 k = 0.1285-0.5208 0.0000 ( 3462 PWs) bands (ev): -11.7260 -11.7260 -10.4964 -10.4964 -10.3452 -10.3452 -10.2777 -10.2777 -10.0003 -10.0003 -9.9618 -9.9618 0.6004 0.6004 1.0035 1.0035 1.0725 1.0725 1.5202 1.5202 2.6145 2.6145 3.3975 3.3975 3.4788 3.4788 3.7264 3.7264 3.9819 3.9819 4.1271 4.1271 4.3055 4.3055 4.6628 4.6628 4.9637 4.9637 5.1189 5.1189 5.3002 5.3002 5.8360 5.8360 6.0494 6.0494 6.6797 6.6797 13.1559 13.1559 14.2763 14.2763 16.1015 16.1015 16.5408 16.5408 16.8084 16.8084 k = 0.1239-0.5022 0.0000 ( 3454 PWs) bands (ev): -11.7609 -11.7609 -10.5036 -10.5036 -10.3510 -10.3510 -10.2929 -10.2929 -10.0109 -10.0109 -9.9715 -9.9715 0.5745 0.5745 1.0443 1.0443 1.0827 1.0827 1.5614 1.5614 2.6365 2.6365 3.4005 3.4005 3.5320 3.5320 3.8084 3.8084 4.0234 4.0234 4.1336 4.1336 4.3252 4.3252 4.6431 4.6431 4.9651 4.9651 5.1149 5.1149 5.2952 5.2952 5.8646 5.8646 6.0741 6.0741 6.6813 6.6813 13.0777 13.0777 14.2746 14.2746 16.0502 16.0502 16.5994 16.5994 16.8411 16.8411 k = 0.1193-0.4836 0.0000 ( 3448 PWs) bands (ev): -11.7949 -11.7949 -10.5112 -10.5112 -10.3571 -10.3571 -10.3081 -10.3081 -10.0214 -10.0214 -9.9811 -9.9811 0.5475 0.5475 1.0618 1.0618 1.1152 1.1152 1.6041 1.6041 2.6558 2.6558 3.4068 3.4068 3.5854 3.5854 3.8893 3.8893 4.0614 4.0614 4.1466 4.1466 4.3443 4.3443 4.6259 4.6259 4.9663 4.9663 5.1132 5.1132 5.2896 5.2896 5.8934 5.8934 6.0976 6.0976 6.6830 6.6830 12.9981 12.9981 14.2702 14.2702 15.9941 15.9941 16.6530 16.6530 16.8762 16.8762 k = 0.1147-0.4650 0.0000 ( 3448 PWs) bands (ev): -11.8280 -11.8280 -10.5192 -10.5192 -10.3635 -10.3635 -10.3230 -10.3230 -10.0318 -10.0318 -9.9907 -9.9907 0.5198 0.5198 1.0649 1.0649 1.1608 1.1608 1.6479 1.6479 2.6722 2.6722 3.4166 3.4166 3.6389 3.6389 3.9681 3.9681 4.0894 4.0894 4.1726 4.1726 4.3625 4.3625 4.6119 4.6119 4.9674 4.9674 5.1142 5.1142 5.2836 5.2836 5.9220 5.9220 6.1202 6.1202 6.6845 6.6845 12.9172 12.9172 14.2634 14.2634 15.9345 15.9345 16.6967 16.6967 16.9116 16.9116 k = 0.1101-0.4464 0.0000 ( 3446 PWs) bands (ev): -11.8601 -11.8601 -10.5274 -10.5274 -10.3701 -10.3701 -10.3377 -10.3377 -10.0421 -10.0421 -10.0003 -10.0003 0.4916 0.4916 1.0645 1.0645 1.2085 1.2085 1.6920 1.6920 2.6858 2.6858 3.4298 3.4298 3.6923 3.6923 4.0438 4.0438 4.1062 4.1062 4.2125 4.2125 4.3793 4.3793 4.6019 4.6019 4.9685 4.9685 5.1183 5.1183 5.2770 5.2770 5.9504 5.9504 6.1416 6.1416 6.6861 6.6861 12.8353 12.8353 14.2544 14.2544 15.8725 15.8725 16.7212 16.7212 16.9458 16.9458 k = 0.1055-0.4278 0.0000 ( 3440 PWs) bands (ev): -11.8911 -11.8911 -10.5358 -10.5358 -10.3770 -10.3770 -10.3522 -10.3522 -10.0521 -10.0521 -10.0097 -10.0097 0.4634 0.4634 1.0626 1.0626 1.2562 1.2562 1.7361 1.7361 2.6968 2.6968 3.4464 3.4464 3.7455 3.7455 4.1135 4.1135 4.1188 4.1188 4.2602 4.2602 4.3946 4.3946 4.5970 4.5970 4.9697 4.9697 5.1260 5.1260 5.2700 5.2700 5.9783 5.9783 6.1620 6.1620 6.6876 6.6876 12.7526 12.7526 14.2432 14.2432 15.8087 15.8087 16.7142 16.7142 16.9773 16.9773 k = 0.1009-0.4092 0.0000 ( 3438 PWs) bands (ev): -11.9211 -11.9211 -10.5444 -10.5444 -10.3840 -10.3840 -10.3663 -10.3663 -10.0620 -10.0620 -10.0190 -10.0190 0.4353 0.4353 1.0595 1.0595 1.3033 1.3033 1.7795 1.7795 2.7056 2.7056 3.4661 3.4661 3.7982 3.7982 4.1273 4.1273 4.1793 4.1793 4.3114 4.3114 4.4085 4.4085 4.5981 4.5981 4.9713 4.9713 5.1377 5.1377 5.2626 5.2626 6.0057 6.0057 6.1812 6.1812 6.6891 6.6891 12.6693 12.6693 14.2302 14.2302 15.7439 15.7439 16.6708 16.6708 17.0048 17.0048 k = 0.0964-0.3906 0.0000 ( 3436 PWs) bands (ev): -11.9500 -11.9500 -10.5530 -10.5530 -10.3911 -10.3911 -10.3801 -10.3801 -10.0717 -10.0717 -10.0280 -10.0280 0.4075 0.4075 1.0555 1.0555 1.3495 1.3495 1.8218 1.8218 2.7126 2.7126 3.4884 3.4884 3.8501 3.8501 4.1382 4.1382 4.2334 4.2334 4.3638 4.3638 4.4225 4.4225 4.6063 4.6063 4.9735 4.9735 5.1541 5.1541 5.2548 5.2548 6.0324 6.0324 6.1994 6.1994 6.6905 6.6905 12.5858 12.5858 14.2156 14.2156 15.6785 15.6785 16.6020 16.6020 17.0273 17.0273 k = 0.0918-0.3720 0.0000 ( 3436 PWs) bands (ev): -11.9778 -11.9778 -10.5616 -10.5616 -10.3982 -10.3982 -10.3935 -10.3935 -10.0811 -10.0811 -10.0369 -10.0369 0.3802 0.3802 1.0508 1.0508 1.3944 1.3944 1.8625 1.8625 2.7183 2.7183 3.5130 3.5130 3.9005 3.9005 4.1507 4.1507 4.2741 4.2741 4.4162 4.4162 4.4387 4.4387 4.6219 4.6219 4.9766 4.9766 5.1756 5.1756 5.2468 5.2468 6.0582 6.0582 6.2165 6.2165 6.6919 6.6919 12.5022 12.5022 14.1995 14.1995 15.6129 15.6129 16.5204 16.5204 17.0426 17.0426 k = 0.0872-0.3534 0.0000 ( 3436 PWs) bands (ev): -12.0044 -12.0044 -10.5702 -10.5702 -10.4067 -10.4067 -10.4051 -10.4051 -10.0902 -10.0902 -10.0456 -10.0456 0.3536 0.3536 1.0456 1.0456 1.4379 1.4379 1.9012 1.9012 2.7232 2.7232 3.5394 3.5394 3.9490 3.9490 4.1658 4.1658 4.2993 4.2993 4.4577 4.4577 4.4683 4.4683 4.6448 4.6448 4.9809 4.9809 5.2025 5.2025 5.2387 5.2387 6.0831 6.0831 6.2325 6.2325 6.6932 6.6932 12.4188 12.4188 14.1822 14.1822 15.5476 15.5476 16.4334 16.4334 17.0423 17.0423 k = 0.0826-0.3348 0.0000 ( 3436 PWs) bands (ev): -12.0299 -12.0299 -10.5788 -10.5788 -10.4191 -10.4191 -10.4123 -10.4123 -10.0990 -10.0990 -10.0540 -10.0540 0.3278 0.3278 1.0399 1.0399 1.4797 1.4797 1.9375 1.9375 2.7278 2.7278 3.5671 3.5671 3.9945 3.9945 4.1844 4.1844 4.3112 4.3112 4.4792 4.4792 4.5176 4.5176 4.6739 4.6739 4.9869 4.9869 5.2260 5.2260 5.2396 5.2396 6.1070 6.1070 6.2474 6.2474 6.6945 6.6945 12.3361 12.3361 14.1639 14.1639 15.4828 15.4828 16.3446 16.3446 17.0320 17.0320 k = 0.0780-0.3162 0.0000 ( 3432 PWs) bands (ev): -12.0541 -12.0541 -10.5871 -10.5871 -10.4311 -10.4311 -10.4192 -10.4192 -10.1075 -10.1075 -10.0620 -10.0620 0.3030 0.3030 1.0338 1.0338 1.5197 1.5197 1.9711 1.9711 2.7324 2.7324 3.5960 3.5960 4.0360 4.0360 4.2072 4.2072 4.3140 4.3140 4.4994 4.4994 4.5644 4.5644 4.7073 4.7073 4.9951 4.9951 5.2193 5.2193 5.2762 5.2762 6.1298 6.1298 6.2611 6.2611 6.6957 6.6957 12.2543 12.2543 14.1449 14.1449 15.4189 15.4189 16.2560 16.2560 17.0120 17.0120 k = 0.0734-0.2976 0.0000 ( 3426 PWs) bands (ev): -12.0770 -12.0770 -10.5953 -10.5953 -10.4426 -10.4426 -10.4260 -10.4260 -10.1156 -10.1156 -10.0698 -10.0698 0.2791 0.2791 1.0276 1.0276 1.5577 1.5577 2.0017 2.0017 2.7375 2.7375 3.6256 3.6256 4.0727 4.0727 4.2350 4.2350 4.3115 4.3115 4.5167 4.5167 4.6075 4.6075 4.7429 4.7429 5.0060 5.0060 5.2103 5.2103 5.3203 5.3203 6.1514 6.1514 6.2738 6.2738 6.6968 6.6968 12.1737 12.1737 14.1254 14.1254 15.3563 15.3563 16.1689 16.1689 16.9834 16.9834 k = 0.0688-0.2790 0.0000 ( 3424 PWs) bands (ev): -12.0988 -12.0988 -10.6032 -10.6032 -10.4535 -10.4535 -10.4325 -10.4325 -10.1233 -10.1233 -10.0773 -10.0773 0.2563 0.2563 1.0212 1.0212 1.5936 1.5936 2.0291 2.0291 2.7432 2.7432 3.6557 3.6557 4.1042 4.1042 4.2676 4.2676 4.3059 4.3059 4.5309 4.5309 4.6458 4.6458 4.7788 4.7788 5.0203 5.0203 5.2009 5.2009 5.3693 5.3693 6.1718 6.1718 6.2855 6.2855 6.6979 6.6979 12.0948 12.0948 14.1055 14.1055 15.2953 15.2953 16.0840 16.0840 16.9479 16.9479 k = 0.0642-0.2604 0.0000 ( 3428 PWs) bands (ev): -12.1192 -12.1192 -10.6108 -10.6108 -10.4639 -10.4639 -10.4389 -10.4389 -10.1307 -10.1307 -10.0843 -10.0843 0.2348 0.2348 1.0148 1.0148 1.6273 1.6273 2.0532 2.0532 2.7496 2.7496 3.6861 3.6861 4.1312 4.1312 4.2956 4.2956 4.3068 4.3068 4.5424 4.5424 4.6788 4.6788 4.8139 4.8139 5.0382 5.0382 5.1913 5.1913 5.4220 5.4220 6.1909 6.1909 6.2960 6.2960 6.6989 6.6989 12.0179 12.0179 14.0855 14.0855 15.2363 15.2363 16.0021 16.0021 16.9076 16.9076 k = 0.0597-0.2418 0.0000 ( 3430 PWs) bands (ev): -12.1383 -12.1383 -10.6181 -10.6181 -10.4736 -10.4736 -10.4449 -10.4449 -10.1376 -10.1376 -10.0910 -10.0910 0.2144 0.2144 1.0084 1.0084 1.6588 1.6588 2.0741 2.0741 2.7568 2.7568 3.7166 3.7166 4.1548 4.1548 4.2880 4.2880 4.3446 4.3446 4.5517 4.5517 4.7060 4.7060 4.8476 4.8476 5.0595 5.0595 5.1818 5.1818 5.4771 5.4771 6.2088 6.2088 6.3055 6.3055 6.6999 6.6999 11.9434 11.9434 14.0656 14.0656 15.1795 15.1795 15.9237 15.9237 16.8641 16.8641 k = 0.0551-0.2232 0.0000 ( 3420 PWs) bands (ev): -12.1560 -12.1560 -10.6250 -10.6250 -10.4827 -10.4827 -10.4507 -10.4507 -10.1441 -10.1441 -10.0973 -10.0973 0.1954 0.1954 1.0022 1.0022 1.6878 1.6878 2.0920 2.0920 2.7646 2.7646 3.7471 3.7471 4.1760 4.1760 4.2779 4.2779 4.3851 4.3851 4.5590 4.5590 4.7276 4.7276 4.8794 4.8794 5.0835 5.0835 5.1728 5.1728 5.5335 5.5335 6.2252 6.2252 6.3140 6.3140 6.7008 6.7008 11.8718 11.8718 14.0461 14.0461 15.1253 15.1253 15.8492 15.8492 16.8192 16.8192 k = 0.0505-0.2046 0.0000 ( 3420 PWs) bands (ev): -12.1724 -12.1724 -10.6315 -10.6315 -10.4912 -10.4912 -10.4561 -10.4561 -10.1501 -10.1501 -10.1031 -10.1031 0.1777 0.1777 0.9962 0.9962 1.7145 1.7145 2.1069 2.1069 2.7729 2.7729 3.7775 3.7775 4.1954 4.1954 4.2669 4.2669 4.4258 4.4258 4.5648 4.5648 4.7441 4.7441 4.9094 4.9094 5.1080 5.1080 5.1656 5.1656 5.5900 5.5900 6.2404 6.2404 6.3215 6.3215 6.7016 6.7016 11.8036 11.8036 14.0272 14.0272 15.0740 15.0740 15.7790 15.7790 16.7741 16.7741 k = 0.0459-0.1860 0.0000 ( 3408 PWs) bands (ev): -12.1875 -12.1875 -10.6376 -10.6376 -10.4990 -10.4990 -10.4611 -10.4611 -10.1557 -10.1557 -10.1085 -10.1085 0.1614 0.1614 0.9905 0.9905 1.7388 1.7388 2.1193 2.1193 2.7815 2.7815 3.8077 3.8077 4.2135 4.2135 4.2551 4.2551 4.4657 4.4657 4.5693 4.5693 4.7562 4.7562 4.9373 4.9373 5.1259 5.1259 5.1663 5.1663 5.6455 5.6455 6.2541 6.2541 6.3280 6.3280 6.7023 6.7023 11.7391 11.7391 14.0090 14.0090 15.0260 15.0260 15.7136 15.7136 16.7299 16.7299 k = 0.0413-0.1674 0.0000 ( 3404 PWs) bands (ev): -12.2011 -12.2011 -10.6431 -10.6431 -10.5061 -10.5061 -10.4657 -10.4657 -10.1608 -10.1608 -10.1135 -10.1135 0.1466 0.1466 0.9851 0.9851 1.7607 1.7607 2.1292 2.1292 2.7901 2.7901 3.8374 3.8374 4.2300 4.2300 4.2429 4.2429 4.5043 4.5043 4.5728 4.5728 4.7648 4.7648 4.9631 4.9631 5.1274 5.1274 5.1837 5.1837 5.6989 5.6989 6.2665 6.2665 6.3335 6.3335 6.7030 6.7030 11.6788 11.6788 13.9918 13.9918 14.9815 14.9815 15.6533 15.6533 16.6877 16.6877 k = 0.0367-0.1488 0.0000 ( 3402 PWs) bands (ev): -12.2134 -12.2134 -10.6482 -10.6482 -10.5125 -10.5125 -10.4699 -10.4699 -10.1654 -10.1654 -10.1179 -10.1179 0.1332 0.1332 0.9801 0.9801 1.7802 1.7802 2.1372 2.1372 2.7984 2.7984 3.8667 3.8667 4.2287 4.2287 4.2464 4.2464 4.5410 4.5410 4.5756 4.5756 4.7705 4.7705 4.9868 4.9868 5.1205 5.1205 5.2088 5.2088 5.7494 5.7494 6.2775 6.2775 6.3381 6.3381 6.7037 6.7037 11.6233 11.6233 13.9757 13.9757 14.9408 14.9408 15.5985 15.5985 16.6482 16.6482 k = 0.0321-0.1302 0.0000 ( 3404 PWs) bands (ev): -12.2242 -12.2242 -10.6527 -10.6527 -10.5182 -10.5182 -10.4737 -10.4737 -10.1695 -10.1695 -10.1219 -10.1219 0.1214 0.1214 0.9757 0.9757 1.7973 1.7973 2.1434 2.1434 2.8063 2.8063 3.8954 3.8954 4.2148 4.2148 4.2605 4.2605 4.5733 4.5733 4.5801 4.5801 4.7739 4.7739 5.0080 5.0080 5.1116 5.1116 5.2345 5.2345 5.7962 5.7962 6.2872 6.2872 6.3419 6.3419 6.7042 6.7042 11.5730 11.5730 13.9611 13.9611 14.9042 14.9042 15.5493 15.5493 16.6120 16.6120 k = 0.0275-0.1116 0.0000 ( 3404 PWs) bands (ev): -12.2337 -12.2337 -10.6567 -10.6567 -10.5232 -10.5232 -10.4770 -10.4770 -10.1731 -10.1731 -10.1254 -10.1254 0.1110 0.1110 0.9717 0.9717 1.8121 1.8121 2.1482 2.1482 2.8135 2.8135 3.9234 3.9234 4.1999 4.1999 4.2733 4.2733 4.5784 4.5784 4.6087 4.6087 4.7753 4.7753 5.0268 5.0268 5.1025 5.1025 5.2585 5.2585 5.8385 5.8385 6.2955 6.2955 6.3448 6.3448 6.7047 6.7047 11.5283 11.5283 13.9479 13.9479 14.8719 14.8719 15.5062 15.5062 16.5797 16.5797 k = 0.0229-0.0930 0.0000 ( 3408 PWs) bands (ev): -12.2416 -12.2416 -10.6601 -10.6601 -10.5274 -10.5274 -10.4798 -10.4798 -10.1761 -10.1761 -10.1283 -10.1283 0.1023 0.1023 0.9683 0.9683 1.8245 1.8245 2.1519 2.1519 2.8198 2.8198 3.9504 3.9504 4.1843 4.1843 4.2845 4.2845 4.5796 4.5796 4.6381 4.6381 4.7749 4.7749 5.0428 5.0428 5.0939 5.0939 5.2799 5.2799 5.8755 5.8755 6.3025 6.3025 6.3470 6.3470 6.7051 6.7051 11.4896 11.4896 13.9365 13.9365 14.8442 14.8442 15.4692 15.4692 16.5517 16.5517 k = 0.0184-0.0744 0.0000 ( 3406 PWs) bands (ev): -12.2482 -12.2482 -10.6629 -10.6629 -10.5308 -10.5308 -10.4821 -10.4821 -10.1786 -10.1786 -10.1308 -10.1308 0.0951 0.0951 0.9654 0.9654 1.8346 1.8346 2.1545 2.1545 2.8252 2.8252 3.9762 3.9762 4.1679 4.1679 4.2940 4.2940 4.5804 4.5804 4.6646 4.6646 4.7728 4.7728 5.0557 5.0557 5.0864 5.0864 5.2981 5.2981 5.9068 5.9068 6.3082 6.3082 6.3486 6.3486 6.7055 6.7055 11.4574 11.4574 13.9270 13.9270 14.8212 14.8212 15.4387 15.4387 16.5283 16.5283 k = 0.0138-0.0558 0.0000 ( 3408 PWs) bands (ev): -12.2533 -12.2533 -10.6651 -10.6651 -10.5335 -10.5335 -10.4840 -10.4840 -10.1805 -10.1805 -10.1327 -10.1327 0.0895 0.0895 0.9632 0.9632 1.8424 1.8424 2.1564 2.1564 2.8295 2.8295 4.0005 4.0005 4.1512 4.1512 4.3015 4.3015 4.5810 4.5810 4.6879 4.6879 4.7690 4.7690 5.0645 5.0645 5.0814 5.0814 5.3126 5.3126 5.9318 5.9318 6.3126 6.3126 6.3496 6.3496 6.7057 6.7057 11.4320 11.4320 13.9194 13.9194 14.8032 14.8032 15.4148 15.4148 16.5099 16.5099 k = 0.0092-0.0372 0.0000 ( 3408 PWs) bands (ev): -12.2569 -12.2569 -10.6666 -10.6666 -10.5355 -10.5355 -10.4853 -10.4853 -10.1819 -10.1819 -10.1340 -10.1340 0.0854 0.0854 0.9615 0.9615 1.8480 1.8480 2.1577 2.1577 2.8326 2.8326 4.0224 4.0224 4.1348 4.1348 4.3070 4.3070 4.5813 4.5813 4.7078 4.7078 4.7635 4.7635 5.0672 5.0672 5.0811 5.0811 5.3232 5.3232 5.9500 5.9500 6.3158 6.3158 6.3503 6.3503 6.7059 6.7059 11.4136 11.4136 13.9139 13.9139 14.7902 14.7902 15.3977 15.3977 16.4965 16.4965 k = 0.0046-0.0186 0.0000 ( 3406 PWs) bands (ev): -12.2591 -12.2591 -10.6676 -10.6676 -10.5366 -10.5366 -10.4861 -10.4861 -10.1827 -10.1827 -10.1348 -10.1348 0.0830 0.0830 0.9606 0.9606 1.8513 1.8513 2.1584 2.1584 2.8345 2.8345 4.0397 4.0397 4.1208 4.1208 4.3103 4.3103 4.5815 4.5815 4.7233 4.7233 4.7567 4.7567 5.0661 5.0661 5.0835 5.0835 5.3297 5.3297 5.9611 5.9611 6.3177 6.3177 6.3506 6.3506 6.7060 6.7060 11.4025 11.4025 13.9106 13.9106 14.7824 14.7824 15.3873 15.3873 16.4885 16.4885 k = 0.0000 0.0000 0.0000 ( 3407 PWs) bands (ev): -12.2599 -12.2599 -10.6679 -10.6679 -10.5370 -10.5370 -10.4863 -10.4863 -10.1830 -10.1830 -10.1351 -10.1351 0.0822 0.0822 0.9602 0.9602 1.8524 1.8524 2.1586 2.1586 2.8351 2.8351 4.0470 4.0470 4.1145 4.1145 4.3115 4.3115 4.5816 4.5816 4.7307 4.7307 4.7522 4.7522 5.0654 5.0654 5.0846 5.0846 5.3318 5.3318 5.9648 5.9648 6.3183 6.3183 6.3507 6.3507 6.7061 6.7061 11.3988 11.3988 13.9095 13.9095 14.7798 14.7798 15.3839 15.3839 16.4858 16.4858 k = 0.0000 0.0000 0.0000 ( 3407 PWs) bands (ev): -12.2599 -12.2599 -10.6679 -10.6679 -10.5370 -10.5370 -10.4863 -10.4863 -10.1830 -10.1830 -10.1351 -10.1351 0.0822 0.0822 0.9602 0.9602 1.8524 1.8524 2.1586 2.1586 2.8351 2.8351 4.0470 4.0470 4.1145 4.1145 4.3115 4.3115 4.5816 4.5816 4.7307 4.7307 4.7522 4.7522 5.0654 5.0654 5.0846 5.0846 5.3318 5.3318 5.9648 5.9648 6.3183 6.3183 6.3507 6.3507 6.7061 6.7061 11.3988 11.3988 13.9095 13.9095 14.7798 14.7798 15.3839 15.3839 16.4858 16.4858 k = 0.0089-0.0170-0.0011 ( 3405 PWs) bands (ev): -12.2591 -12.2591 -10.6681 -10.6681 -10.5367 -10.5367 -10.4855 -10.4855 -10.1828 -10.1828 -10.1348 -10.1348 0.0830 0.0830 0.9604 0.9604 1.8512 1.8512 2.1588 2.1588 2.8346 2.8346 4.0399 4.0399 4.1203 4.1203 4.3106 4.3106 4.5812 4.5812 4.7237 4.7237 4.7568 4.7568 5.0661 5.0661 5.0836 5.0836 5.3298 5.3298 5.9612 5.9612 6.3175 6.3175 6.3506 6.3506 6.7060 6.7060 11.4026 11.4026 13.9104 13.9104 14.7822 14.7822 15.3873 15.3873 16.4882 16.4882 k = 0.0179-0.0340-0.0023 ( 3407 PWs) bands (ev): -12.2569 -12.2569 -10.6688 -10.6688 -10.5359 -10.5359 -10.4832 -10.4832 -10.1822 -10.1822 -10.1338 -10.1338 0.0854 0.0854 0.9610 0.9610 1.8473 1.8473 2.1593 2.1593 2.8330 2.8330 4.0229 4.0229 4.1331 4.1331 4.3082 4.3082 4.5801 4.5801 4.7092 4.7092 4.7643 4.7643 5.0672 5.0672 5.0815 5.0815 5.3237 5.3237 5.9506 5.9506 6.3152 6.3152 6.3501 6.3501 6.7058 6.7058 11.4138 11.4138 13.9132 13.9132 14.7894 14.7894 15.3974 15.3974 16.4953 16.4953 k = 0.0268-0.0510-0.0034 ( 3412 PWs) bands (ev): -12.2533 -12.2533 -10.6698 -10.6698 -10.5343 -10.5343 -10.4794 -10.4794 -10.1811 -10.1811 -10.1322 -10.1322 0.0893 0.0893 0.9621 0.9621 1.8410 1.8410 2.1599 2.1599 2.8303 2.8303 4.0012 4.0012 4.1476 4.1476 4.3044 4.3044 4.5782 4.5782 4.6909 4.6909 4.7710 4.7710 5.0645 5.0645 5.0823 5.0823 5.3136 5.3136 5.9330 5.9330 6.3114 6.3114 6.3493 6.3493 6.7056 6.7056 11.4323 11.4323 13.9178 13.9178 14.8013 14.8013 15.4142 15.4142 16.5071 16.5071 k = 0.0357-0.0680-0.0045 ( 3405 PWs) bands (ev): -12.2481 -12.2481 -10.6712 -10.6712 -10.5322 -10.5322 -10.4743 -10.4743 -10.1796 -10.1796 -10.1299 -10.1299 0.0948 0.0948 0.9635 0.9635 1.8323 1.8323 2.1606 2.1606 2.8267 2.8267 3.9770 3.9770 4.1612 4.1612 4.3000 4.3000 4.5756 4.5756 4.6696 4.6696 4.7764 4.7764 5.0559 5.0559 5.0879 5.0879 5.2998 5.2998 5.9088 5.9088 6.3062 6.3062 6.3480 6.3480 6.7052 6.7052 11.4579 11.4579 13.9241 13.9241 14.8178 14.8178 15.4376 15.4376 16.5234 16.5234 k = 0.0446-0.0850-0.0056 ( 3407 PWs) bands (ev): -12.2415 -12.2415 -10.6728 -10.6728 -10.5293 -10.5293 -10.4680 -10.4680 -10.1776 -10.1776 -10.1270 -10.1270 0.1018 0.1018 0.9653 0.9653 1.8213 1.8213 2.1610 2.1610 2.8220 2.8220 3.9511 3.9511 4.1723 4.1723 4.2959 4.2959 4.5720 4.5720 4.6458 4.6458 4.7803 4.7803 5.0435 5.0435 5.0960 5.0960 5.2825 5.2825 5.8782 5.8782 6.2996 6.2996 6.3463 6.3463 6.7047 6.7047 11.4903 11.4903 13.9321 13.9321 14.8389 14.8389 15.4674 15.4674 16.5440 16.5440 k = 0.0536-0.1020-0.0068 ( 3407 PWs) bands (ev): -12.2335 -12.2335 -10.6746 -10.6746 -10.5256 -10.5256 -10.4607 -10.4607 -10.1752 -10.1752 -10.1236 -10.1236 0.1104 0.1104 0.9675 0.9675 1.8081 1.8081 2.1610 2.1610 2.8164 2.8164 3.9240 3.9240 4.1792 4.1792 4.2936 4.2936 4.5671 4.5671 4.6200 4.6200 4.7827 4.7827 5.0282 5.0282 5.1054 5.1054 5.2621 5.2621 5.8417 5.8417 6.2918 6.2918 6.3441 6.3441 6.7041 6.7041 11.5292 11.5292 13.9418 13.9418 14.8642 14.8642 15.5035 15.5035 16.5688 16.5688 k = 0.0625-0.1190-0.0079 ( 3406 PWs) bands (ev): -12.2240 -12.2240 -10.6764 -10.6764 -10.5212 -10.5212 -10.4524 -10.4524 -10.1723 -10.1723 -10.1195 -10.1195 0.1205 0.1205 0.9700 0.9700 1.7928 1.7928 2.1601 2.1601 2.8100 2.8100 3.8958 3.8958 4.1805 4.1805 4.2948 4.2948 4.5590 4.5590 4.5943 4.5943 4.7832 4.7832 5.0105 5.0105 5.1153 5.1153 5.2391 5.2391 5.7998 5.7998 6.2828 6.2828 6.3412 6.3412 6.7034 6.7034 11.5742 11.5742 13.9529 13.9529 14.8937 14.8937 15.5457 15.5457 16.5975 16.5975 k = 0.0714-0.1359-0.0090 ( 3407 PWs) bands (ev): -12.2131 -12.2131 -10.6782 -10.6782 -10.5160 -10.5160 -10.4433 -10.4433 -10.1690 -10.1690 -10.1149 -10.1149 0.1320 0.1320 0.9729 0.9729 1.7755 1.7755 2.1581 2.1581 2.8030 2.8030 3.8668 3.8668 4.1756 4.1756 4.3001 4.3001 4.5418 4.5418 4.5746 4.5746 4.7812 4.7812 4.9909 4.9909 5.1251 5.1251 5.2145 5.2145 5.7533 5.7533 6.2726 6.2726 6.3378 6.3378 6.7026 6.7026 11.6248 11.6248 13.9655 13.9655 14.9271 14.9271 15.5936 15.5936 16.6296 16.6296 k = 0.0804-0.1529-0.0102 ( 3403 PWs) bands (ev): -12.2008 -12.2008 -10.6800 -10.6800 -10.5101 -10.5101 -10.4336 -10.4336 -10.1653 -10.1653 -10.1098 -10.1098 0.1451 0.1451 0.9761 0.9761 1.7562 1.7562 2.1545 2.1545 2.7955 2.7955 3.8372 3.8372 4.1650 4.1650 4.3090 4.3090 4.5131 4.5131 4.5639 4.5639 4.7760 4.7760 4.9699 4.9699 5.1331 5.1331 5.1904 5.1904 5.7028 5.7028 6.2613 6.2613 6.3337 6.3337 6.7018 6.7018 11.6806 11.6806 13.9792 13.9792 14.9643 14.9643 15.6472 15.6472 16.6647 16.6647 k = 0.0893-0.1699-0.0113 ( 3409 PWs) bands (ev): -12.1870 -12.1870 -10.6816 -10.6816 -10.5034 -10.5034 -10.4233 -10.4233 -10.1610 -10.1610 -10.1043 -10.1043 0.1595 0.1595 0.9797 0.9797 1.7352 1.7352 2.1490 2.1490 2.7876 2.7876 3.8071 3.8071 4.1502 4.1502 4.3203 4.3203 4.4788 4.4788 4.5561 4.5561 4.7665 4.7665 4.9480 4.9480 5.1328 5.1328 5.1737 5.1737 5.6492 5.6492 6.2489 6.2489 6.3290 6.3290 6.7008 6.7008 11.7410 11.7410 13.9941 13.9941 15.0049 15.0049 15.7060 15.7060 16.7024 16.7024 k = 0.0982-0.1869-0.0124 ( 3419 PWs) bands (ev): -12.1719 -12.1719 -10.6830 -10.6830 -10.4960 -10.4960 -10.4125 -10.4125 -10.1564 -10.1564 -10.0983 -10.0983 0.1754 0.1754 0.9835 0.9835 1.7124 1.7124 2.1412 2.1412 2.7797 2.7797 3.7766 3.7766 4.1322 4.1322 4.3326 4.3326 4.4421 4.4421 4.5487 4.5487 4.7514 4.7514 4.9260 4.9260 5.1161 5.1161 5.1736 5.1736 5.5934 5.5934 6.2353 6.2353 6.3236 6.3236 6.6998 6.6998 11.8056 11.8056 14.0100 14.0100 15.0486 15.0486 15.7696 15.7696 16.7420 16.7420 k = 0.1071-0.2039-0.0135 ( 3420 PWs) bands (ev): -12.1554 -12.1554 -10.6841 -10.6841 -10.4879 -10.4879 -10.4012 -10.4012 -10.1513 -10.1513 -10.0918 -10.0918 0.1927 0.1927 0.9875 0.9875 1.6880 1.6880 2.1307 2.1307 2.7719 2.7719 3.7460 3.7460 4.1119 4.1119 4.3438 4.3438 4.4053 4.4053 4.5408 4.5408 4.7299 4.7299 4.9038 4.9038 5.0924 5.0924 5.1814 5.1814 5.5366 5.5366 6.2206 6.2206 6.3174 6.3174 6.6987 6.6987 11.8739 11.8739 14.0266 14.0266 15.0953 15.0953 15.8379 15.8379 16.7829 16.7829 k = 0.1161-0.2209-0.0147 ( 3417 PWs) bands (ev): -12.1375 -12.1375 -10.6849 -10.6849 -10.4791 -10.4791 -10.3897 -10.3897 -10.1457 -10.1457 -10.0850 -10.0850 0.2112 0.2112 0.9918 0.9918 1.6620 1.6620 2.1171 2.1171 2.7645 2.7645 3.7154 3.7154 4.0896 4.0896 4.3426 4.3426 4.3792 4.3792 4.5322 4.5322 4.7014 4.7014 4.8812 4.8812 5.0691 5.0691 5.1909 5.1909 5.4800 5.4800 6.2048 6.2048 6.3105 6.3105 6.6976 6.6976 11.9455 11.9455 14.0438 14.0438 15.1447 15.1447 15.9102 15.9102 16.8240 16.8240 k = 0.1250-0.2379-0.0158 ( 3419 PWs) bands (ev): -12.1183 -12.1183 -10.6854 -10.6854 -10.4696 -10.4696 -10.3779 -10.3779 -10.1397 -10.1397 -10.0779 -10.0779 0.2310 0.2310 0.9961 0.9961 1.6344 1.6344 2.1004 2.1004 2.7576 2.7576 3.6848 3.6848 4.0657 4.0657 4.3110 4.3110 4.3816 4.3816 4.5226 4.5226 4.6663 4.6663 4.8573 4.8573 5.0486 5.0486 5.2006 5.2006 5.4250 5.4250 6.1880 6.1880 6.3029 6.3029 6.6963 6.6963 12.0198 12.0198 14.0613 14.0613 15.1965 15.1965 15.9863 15.9863 16.8644 16.8644 k = 0.1339-0.2549-0.0169 ( 3420 PWs) bands (ev): -12.0978 -12.0978 -10.6856 -10.6856 -10.4595 -10.4595 -10.3659 -10.3659 -10.1333 -10.1333 -10.0704 -10.0704 0.2521 0.2521 1.0007 1.0007 1.6053 1.6053 2.0802 2.0802 2.7514 2.7514 3.6546 3.6546 4.0403 4.0403 4.2705 4.2705 4.3901 4.3901 4.5117 4.5117 4.6259 4.6259 4.8316 4.8316 5.0317 5.0317 5.2096 5.2096 5.3733 5.3733 6.1701 6.1701 6.2945 6.2945 6.6951 6.6951 12.0965 12.0965 14.0791 14.0791 15.2504 15.2504 16.0655 16.0655 16.9023 16.9023 k = 0.1429-0.2719-0.0181 ( 3429 PWs) bands (ev): -12.0760 -12.0760 -10.6854 -10.6854 -10.4488 -10.4488 -10.3538 -10.3538 -10.1265 -10.1265 -10.0627 -10.0627 0.2742 0.2742 1.0052 1.0052 1.5747 1.5747 2.0566 2.0566 2.7457 2.7457 3.6248 3.6248 4.0133 4.0133 4.2286 4.2286 4.3951 4.3951 4.4992 4.4992 4.5826 4.5826 4.8044 4.8044 5.0181 5.0181 5.2167 5.2167 5.3273 5.3273 6.1511 6.1511 6.2853 6.2853 6.6937 6.6937 12.1750 12.1750 14.0969 14.0969 15.3062 15.3062 16.1474 16.1474 16.9353 16.9353 k = 0.1518-0.2889-0.0192 ( 3434 PWs) bands (ev): -12.0529 -12.0529 -10.6848 -10.6848 -10.4376 -10.4376 -10.3417 -10.3417 -10.1194 -10.1194 -10.0547 -10.0547 0.2975 0.2975 1.0097 1.0097 1.5428 1.5428 2.0296 2.0296 2.7406 2.7406 3.5957 3.5957 3.9843 3.9843 4.1869 4.1869 4.3901 4.3901 4.4847 4.4847 4.5415 4.5415 4.7768 4.7768 5.0071 5.0071 5.2189 5.2189 5.2914 5.2914 6.1312 6.1312 6.2752 6.2752 6.6924 6.6924 12.2550 12.2550 14.1144 14.1144 15.3637 15.3637 16.2313 16.2313 16.9589 16.9589 k = 0.1607-0.3059-0.0203 ( 3435 PWs) bands (ev): -12.0286 -12.0286 -10.6838 -10.6838 -10.4258 -10.4258 -10.3296 -10.3296 -10.1118 -10.1118 -10.0465 -10.0465 0.3218 0.3218 1.0142 1.0142 1.5096 1.5096 1.9995 1.9995 2.7358 2.7358 3.5674 3.5674 3.9531 3.9531 4.1465 4.1465 4.3668 4.3668 4.4678 4.4678 4.5097 4.5097 4.7513 4.7513 4.9975 4.9975 5.2093 5.2093 5.2733 5.2733 6.1104 6.1104 6.2644 6.2644 6.6910 6.6910 12.3362 12.3362 14.1315 14.1315 15.4225 15.4225 16.3164 16.3164 16.9672 16.9672 k = 0.1696-0.3229-0.0214 ( 3431 PWs) bands (ev): -12.0031 -12.0031 -10.6825 -10.6825 -10.4135 -10.4135 -10.3177 -10.3177 -10.1039 -10.1039 -10.0381 -10.0381 0.3470 0.3470 1.0185 1.0185 1.4751 1.4751 1.9666 1.9666 2.7310 2.7310 3.5400 3.5400 3.9192 3.9192 4.1082 4.1082 4.3216 4.3216 4.4481 4.4481 4.4894 4.4894 4.7309 4.7309 4.9883 4.9883 5.1898 5.1898 5.2720 5.2720 6.0886 6.0886 6.2527 6.2527 6.6895 6.6895 12.4180 12.4180 14.1480 14.1480 15.4825 15.4825 16.4017 16.4017 16.9594 16.9594 k = 0.1786-0.3399-0.0226 ( 3436 PWs) bands (ev): -11.9763 -11.9763 -10.6807 -10.6807 -10.4008 -10.4008 -10.3059 -10.3059 -10.0957 -10.0957 -10.0295 -10.0295 0.3730 0.3730 1.0225 1.0225 1.4394 1.4394 1.9311 1.9311 2.7261 2.7261 3.5136 3.5136 3.8821 3.8821 4.0726 4.0726 4.2607 4.2607 4.4247 4.4247 4.4737 4.4737 4.7182 4.7182 4.9787 4.9787 5.1707 5.1707 5.2776 5.2776 6.0660 6.0660 6.2402 6.2402 6.6881 6.6881 12.5003 12.5003 14.1637 14.1637 15.5435 15.5435 16.4856 16.4856 16.9392 16.9392 k = 0.1875-0.3569-0.0237 ( 3439 PWs) bands (ev): -11.9484 -11.9484 -10.6786 -10.6786 -10.3876 -10.3876 -10.2943 -10.2943 -10.0872 -10.0872 -10.0208 -10.0208 0.3997 0.3997 1.0262 1.0262 1.4025 1.4025 1.8936 1.8936 2.7206 2.7206 3.4885 3.4885 3.8419 3.8419 4.0398 4.0398 4.1906 4.1906 4.3970 4.3970 4.4572 4.4572 4.7147 4.7147 4.9685 4.9685 5.1561 5.1561 5.2854 5.2854 6.0426 6.0426 6.2268 6.2268 6.6866 6.6866 12.5827 12.5827 14.1783 14.1783 15.6052 15.6052 16.5655 16.5655 16.9105 16.9105 k = 0.1964-0.3739-0.0248 ( 3441 PWs) bands (ev): -11.9194 -11.9194 -10.6762 -10.6762 -10.3740 -10.3740 -10.2831 -10.2831 -10.0785 -10.0785 -10.0120 -10.0120 0.4271 0.4271 1.0295 1.0295 1.3646 1.3646 1.8545 1.8545 2.7143 2.7143 3.4647 3.4647 3.7987 3.7987 4.0089 4.0089 4.1157 4.1157 4.3646 4.3646 4.4388 4.4388 4.7195 4.7195 4.9579 4.9579 5.1466 5.1466 5.2941 5.2941 6.0185 6.0185 6.2125 6.2125 6.6852 6.6852 12.6648 12.6648 14.1916 14.1916 15.6674 15.6674 16.6359 16.6359 16.8785 16.8785 k = 0.2054-0.3909-0.0260 ( 3442 PWs) bands (ev): -11.8894 -11.8894 -10.6733 -10.6733 -10.3601 -10.3601 -10.2723 -10.2723 -10.0695 -10.0695 -10.0031 -10.0031 0.4549 0.4549 1.0323 1.0323 1.3257 1.3257 1.8143 1.8143 2.7068 2.7068 3.4421 3.4421 3.7532 3.7532 3.9759 3.9759 4.0411 4.0411 4.3285 4.3285 4.4194 4.4194 4.7308 4.7308 4.9473 4.9473 5.1416 5.1416 5.3034 5.3034 5.9937 5.9937 6.1974 6.1974 6.6837 6.6837 12.7465 12.7465 14.2036 14.2036 15.7298 15.7298 16.6833 16.6833 16.8549 16.8549 k = 0.2143-0.4078-0.0271 ( 3443 PWs) bands (ev): -11.8582 -11.8582 -10.6702 -10.6702 -10.3459 -10.3459 -10.2620 -10.2620 -10.0602 -10.0602 -9.9942 -9.9942 0.4830 0.4830 1.0345 1.0345 1.2858 1.2858 1.7736 1.7736 2.6979 2.6979 3.4208 3.4208 3.7059 3.7059 3.9243 3.9243 3.9843 3.9843 4.2903 4.2903 4.3997 4.3997 4.7466 4.7466 4.9369 4.9369 5.1401 5.1401 5.3130 5.3130 5.9683 5.9683 6.1814 6.1814 6.6822 6.6822 12.8273 12.8273 14.2140 14.2140 15.7922 15.7922 16.6855 16.6855 16.8575 16.8575 k = 0.2232-0.4248-0.0282 ( 3450 PWs) bands (ev): -11.8261 -11.8261 -10.6667 -10.6667 -10.3313 -10.3313 -10.2524 -10.2524 -10.0508 -10.0508 -9.9852 -9.9852 0.5113 0.5113 1.0360 1.0360 1.2451 1.2451 1.7327 1.7327 2.6873 2.6873 3.4005 3.4005 3.6575 3.6575 3.8470 3.8470 3.9525 3.9525 4.2515 4.2515 4.3804 4.3804 4.7652 4.7652 4.9272 4.9272 5.1412 5.1412 5.3229 5.3229 5.9425 5.9425 6.1644 6.1644 6.6808 6.6808 12.9070 12.9070 14.2226 14.2226 15.8542 15.8542 16.6488 16.6488 16.8748 16.8748 k = 0.2321-0.4418-0.0293 ( 3453 PWs) bands (ev): -11.7930 -11.7930 -10.6629 -10.6629 -10.3166 -10.3166 -10.2434 -10.2434 -10.0412 -10.0412 -9.9761 -9.9761 0.5395 0.5395 1.0367 1.0367 1.2038 1.2038 1.6923 1.6923 2.6749 2.6749 3.3808 3.3808 3.6084 3.6084 3.7619 3.7619 3.9282 3.9282 4.2136 4.2136 4.3619 4.3619 4.7855 4.7855 4.9181 4.9181 5.1444 5.1444 5.3333 5.3333 5.9163 5.9163 6.1467 6.1467 6.6794 6.6794 12.9855 12.9855 14.2295 14.2295 15.9152 15.9152 16.5959 16.5959 16.8818 16.8818 k = 0.2411-0.4588-0.0305 ( 3454 PWs) bands (ev): -11.7590 -11.7590 -10.6588 -10.6588 -10.3017 -10.3017 -10.2352 -10.2352 -10.0314 -10.0314 -9.9670 -9.9670 0.5675 0.5675 1.0364 1.0364 1.1619 1.1619 1.6527 1.6527 2.6607 2.6607 3.3614 3.3614 3.5588 3.5588 3.6754 3.6754 3.9058 3.9058 4.1777 4.1777 4.3446 4.3446 4.8068 4.8068 4.9097 4.9097 5.1491 5.1491 5.3442 5.3442 5.8897 5.8897 6.1281 6.1281 6.6780 6.6780 13.0623 13.0623 14.2344 14.2344 15.9745 15.9745 16.5373 16.5373 16.8731 16.8731 k = 0.2500-0.4758-0.0316 ( 3455 PWs) bands (ev): -11.7241 -11.7241 -10.6545 -10.6545 -10.2866 -10.2866 -10.2278 -10.2278 -10.0216 -10.0216 -9.9579 -9.9579 0.5950 0.5950 1.0347 1.0347 1.1200 1.1200 1.6146 1.6146 2.6445 2.6445 3.3412 3.3412 3.5081 3.5081 3.5907 3.5907 3.8839 3.8839 4.1444 4.1444 4.3289 4.3289 4.8284 4.8284 4.9018 4.9018 5.1549 5.1549 5.3557 5.3557 5.8631 5.8631 6.1086 6.1086 6.6767 6.6767 13.1372 13.1372 14.2375 14.2375 16.0307 16.0307 16.4780 16.4780 16.8528 16.8528 k = 0.2589-0.4928-0.0327 ( 3460 PWs) bands (ev): -11.6883 -11.6883 -10.6500 -10.6500 -10.2715 -10.2715 -10.2215 -10.2215 -10.0116 -10.0116 -9.9488 -9.9488 0.6217 0.6217 1.0300 1.0300 1.0799 1.0799 1.5784 1.5784 2.6263 2.6263 3.3183 3.3183 3.4537 3.4537 3.5135 3.5135 3.8620 3.8620 4.1138 4.1138 4.3156 4.3156 4.8498 4.8498 4.8944 4.8944 5.1614 5.1614 5.3678 5.3678 5.8363 5.8363 6.0884 6.0884 6.6754 6.6754 13.2100 13.2100 14.2386 14.2386 16.0809 16.0809 16.4221 16.4221 16.8252 16.8252 k = 0.2679-0.5098-0.0339 ( 3460 PWs) bands (ev): -11.6518 -11.6518 -10.6453 -10.6453 -10.2563 -10.2563 -10.2161 -10.2161 -10.0016 -10.0016 -9.9397 -9.9397 0.6473 0.6473 1.0139 1.0139 1.0500 1.0500 1.5445 1.5445 2.6060 2.6060 3.2878 3.2878 3.3932 3.3932 3.4518 3.4518 3.8400 3.8400 4.0857 4.0857 4.3050 4.3050 4.8700 4.8700 4.8877 4.8877 5.1685 5.1685 5.3808 5.3808 5.8097 5.8097 6.0674 6.0674 6.6741 6.6741 13.2802 13.2802 14.2381 14.2381 16.1187 16.1187 16.3763 16.3763 16.7939 16.7939 k = 0.2768-0.5268-0.0350 ( 3458 PWs) bands (ev): -11.6146 -11.6146 -10.6404 -10.6404 -10.2412 -10.2412 -10.2120 -10.2120 -9.9915 -9.9915 -9.9306 -9.9306 0.6715 0.6715 0.9783 0.9783 1.0385 1.0385 1.5134 1.5134 2.5836 2.5836 3.2396 3.2396 3.3384 3.3384 3.4047 3.4047 3.8183 3.8183 4.0596 4.0596 4.2977 4.2977 4.8775 4.8775 4.8931 4.8931 5.1759 5.1759 5.3946 5.3946 5.7833 5.7833 6.0457 6.0457 6.6730 6.6730 13.3476 13.3476 14.2362 14.2362 16.1322 16.1322 16.3524 16.3524 16.7612 16.7612 k = 0.2857-0.5438-0.0361 ( 3460 PWs) bands (ev): -11.5767 -11.5767 -10.6353 -10.6353 -10.2262 -10.2262 -10.2089 -10.2089 -9.9814 -9.9814 -9.9216 -9.9216 0.6940 0.6940 0.9363 0.9363 1.0328 1.0328 1.4854 1.4854 2.5588 2.5588 3.1703 3.1703 3.2987 3.2987 3.3668 3.3668 3.7971 3.7971 4.0349 4.0349 4.2939 4.2939 4.8709 4.8709 4.9116 4.9116 5.1833 5.1833 5.4093 5.4093 5.7572 5.7572 6.0234 6.0234 6.6719 6.6719 13.4116 13.4116 14.2331 14.2331 16.1135 16.1135 16.3569 16.3569 16.7293 16.7293 k = 0.2946-0.5608-0.0372 ( 3462 PWs) bands (ev): -11.5381 -11.5381 -10.6302 -10.6302 -10.2124 -10.2124 -10.2061 -10.2061 -9.9713 -9.9713 -9.9126 -9.9126 0.7143 0.7143 0.8931 0.8931 1.0277 1.0277 1.4611 1.4611 2.5316 2.5316 3.0910 3.0910 3.2658 3.2658 3.3364 3.3364 3.7770 3.7770 4.0110 4.0110 4.2940 4.2940 4.8632 4.8632 4.9297 4.9297 5.1906 5.1906 5.4249 5.4249 5.7316 5.7316 6.0007 6.0007 6.6709 6.6709 13.4716 13.4716 14.2295 14.2295 16.0727 16.0727 16.3775 16.3775 16.7004 16.7004 k = 0.3036-0.5778-0.0384 ( 3458 PWs) bands (ev): -11.4991 -11.4991 -10.6250 -10.6250 -10.2082 -10.2082 -10.1951 -10.1951 -9.9612 -9.9612 -9.9037 -9.9037 0.7319 0.7319 0.8503 0.8503 1.0223 1.0223 1.4407 1.4407 2.5016 2.5016 3.0095 3.0095 3.2339 3.2339 3.3126 3.3126 3.7579 3.7579 3.9876 3.9876 4.2977 4.2977 4.8550 4.8550 4.9468 4.9468 5.1975 5.1975 5.4414 5.4414 5.7066 5.7066 5.9775 5.9775 6.6699 6.6699 13.5271 13.5271 14.2260 14.2260 16.0228 16.0228 16.3977 16.3977 16.6766 16.6766 k = 0.3125-0.5948-0.0395 ( 3456 PWs) bands (ev): -11.4595 -11.4595 -10.6197 -10.6197 -10.2091 -10.2091 -10.1807 -10.1807 -9.9512 -9.9512 -9.8950 -9.8950 0.7448 0.7448 0.8100 0.8100 1.0163 1.0163 1.4244 1.4244 2.4685 2.4685 2.9289 2.9289 3.2021 3.2021 3.2939 3.2939 3.7399 3.7399 3.9646 3.9646 4.3048 4.3048 4.8462 4.8462 4.9627 4.9627 5.2038 5.2038 5.4587 5.4587 5.6824 5.6824 5.9543 5.9543 6.6691 6.6691 13.5773 13.5773 14.2235 14.2235 15.9700 15.9700 16.4077 16.4077 16.6583 16.6583 k = 0.3214-0.6118-0.0406 ( 3453 PWs) bands (ev): -11.4195 -11.4195 -10.6144 -10.6144 -10.2118 -10.2118 -10.1664 -10.1664 -9.9413 -9.9413 -9.8863 -9.8863 0.7419 0.7419 0.7835 0.7835 1.0097 1.0097 1.4126 1.4126 2.4317 2.4317 2.8511 2.8511 3.1713 3.1713 3.2793 3.2793 3.7226 3.7226 3.9421 3.9421 4.3151 4.3151 4.8368 4.8368 4.9774 4.9774 5.2093 5.2093 5.4765 5.4765 5.6591 5.6591 5.9310 5.9310 6.6683 6.6683 13.6211 13.6211 14.2231 14.2231 15.9170 15.9170 16.4041 16.4041 16.6417 16.6417 k = 0.3304-0.6288-0.0418 ( 3451 PWs) bands (ev): -11.3791 -11.3791 -10.6092 -10.6092 -10.2160 -10.2160 -10.1523 -10.1523 -9.9315 -9.9315 -9.8779 -9.8779 0.7103 0.7103 0.7843 0.7843 1.0023 1.0023 1.4051 1.4051 2.3909 2.3909 2.7773 2.7773 3.1420 3.1420 3.2680 3.2680 3.7058 3.7058 3.9205 3.9205 4.3282 4.3282 4.8269 4.8269 4.9909 4.9909 5.2141 5.2141 5.4946 5.4946 5.6367 5.6367 5.9082 5.9082 6.6676 6.6676 13.6576 13.6576 14.2260 14.2260 15.8652 15.8652 16.3887 16.3887 16.6201 16.6201 k = 0.3393-0.6458-0.0429 ( 3456 PWs) bands (ev): -11.3384 -11.3384 -10.6041 -10.6041 -10.2218 -10.2218 -10.1385 -10.1385 -9.9218 -9.9218 -9.8698 -9.8698 0.6710 0.6710 0.7916 0.7916 0.9941 0.9941 1.4018 1.4018 2.3456 2.3456 2.7084 2.7084 3.1147 3.1147 3.2599 3.2599 3.6886 3.6886 3.9002 3.9002 4.3435 4.3435 4.8163 4.8163 5.0033 5.0033 5.2178 5.2178 5.5126 5.5126 5.6153 5.6153 5.8860 5.8860 6.6670 6.6670 13.6860 13.6860 14.2331 14.2331 15.8151 15.8151 16.3655 16.3655 16.5892 16.5892 k = 0.3482-0.6627-0.0440 ( 3459 PWs) bands (ev): -11.2975 -11.2975 -10.5991 -10.5991 -10.2291 -10.2291 -10.1251 -10.1251 -9.9123 -9.9123 -9.8618 -9.8618 0.6313 0.6313 0.7986 0.7986 0.9852 0.9852 1.4023 1.4023 2.2956 2.2956 2.6451 2.6451 3.0897 3.0897 3.2548 3.2548 3.6705 3.6705 3.8817 3.8817 4.3607 4.3607 4.8051 4.8051 5.0145 5.0145 5.2206 5.2206 5.5301 5.5301 5.5951 5.5951 5.8649 5.8649 6.6664 6.6664 13.7059 13.7059 14.2452 14.2452 15.7671 15.7671 16.3380 16.3380 16.5503 16.5503 k = 0.3571-0.6797-0.0451 ( 3452 PWs) bands (ev): -11.2564 -11.2564 -10.5942 -10.5942 -10.2380 -10.2380 -10.1122 -10.1122 -9.9031 -9.9031 -9.8542 -9.8542 0.5925 0.5925 0.8047 0.8047 0.9760 0.9760 1.4061 1.4061 2.2412 2.2412 2.5878 2.5878 3.0672 3.0672 3.2528 3.2528 3.6508 3.6508 3.8656 3.8656 4.3794 4.3794 4.7935 4.7935 5.0246 5.0246 5.2224 5.2224 5.5456 5.5456 5.5767 5.5767 5.8456 5.8456 6.6660 6.6660 13.7173 13.7173 14.2625 14.2625 15.7213 15.7213 16.3086 16.3086 16.5067 16.5067 k = 0.3661-0.6967-0.0463 ( 3449 PWs) bands (ev): -11.2153 -11.2153 -10.5895 -10.5895 -10.2484 -10.2484 -10.0997 -10.0997 -9.8940 -9.8940 -9.8469 -9.8469 0.5549 0.5549 0.8098 0.8098 0.9668 0.9668 1.4125 1.4125 2.1831 2.1831 2.5362 2.5362 3.0475 3.0475 3.2535 3.2535 3.6291 3.6291 3.8520 3.8520 4.3992 4.3992 4.7815 4.7815 5.0336 5.0336 5.2231 5.2231 5.5495 5.5495 5.5693 5.5693 5.8285 5.8285 6.6656 6.6656 13.7210 13.7210 14.2843 14.2843 15.6780 15.6780 16.2785 16.2785 16.4611 16.4611 k = 0.3750-0.7137-0.0474 ( 3453 PWs) bands (ev): -11.1741 -11.1741 -10.5852 -10.5852 -10.2604 -10.2604 -10.0878 -10.0878 -9.8853 -9.8853 -9.8400 -9.8400 0.5189 0.5189 0.8139 0.8139 0.9581 0.9581 1.4208 1.4208 2.1224 2.1224 2.4898 2.4898 3.0307 3.0307 3.2569 3.2569 3.6054 3.6054 3.8409 3.8409 4.4197 4.4197 4.7692 4.7692 5.0416 5.0416 5.2230 5.2230 5.5343 5.5343 5.5796 5.5796 5.8144 5.8144 6.6653 6.6653 13.7182 13.7182 14.3099 14.3099 15.6371 15.6371 16.2487 16.2487 16.4156 16.4156 k = 0.3839-0.7307-0.0485 ( 3454 PWs) bands (ev): -11.1331 -11.1331 -10.5811 -10.5811 -10.2738 -10.2738 -10.0765 -10.0765 -9.8769 -9.8769 -9.8336 -9.8336 0.4847 0.4847 0.8169 0.8169 0.9508 0.9508 1.4301 1.4301 2.0603 2.0603 2.4480 2.4480 3.0169 3.0169 3.2626 3.2626 3.5797 3.5797 3.8320 3.8320 4.4405 4.4405 4.7570 4.7570 5.0486 5.0486 5.2221 5.2221 5.5165 5.5165 5.5902 5.5902 5.8039 5.8039 6.6650 6.6650 13.7103 13.7103 14.3381 14.3381 15.5988 15.5988 16.2195 16.2195 16.3714 16.3714 k = 0.3929-0.7477-0.0497 ( 3452 PWs) bands (ev): -11.0922 -11.0922 -10.5774 -10.5774 -10.2887 -10.2887 -10.0659 -10.0659 -9.8689 -9.8689 -9.8275 -9.8275 0.4524 0.4524 0.8187 0.8187 0.9456 0.9456 1.4396 1.4396 1.9981 1.9981 2.4102 2.4102 3.0063 3.0063 3.2703 3.2703 3.5525 3.5525 3.8251 3.8251 4.4614 4.4614 4.7450 4.7450 5.0545 5.0545 5.2206 5.2206 5.4983 5.4983 5.5985 5.5985 5.7975 5.7975 6.6648 6.6648 13.6988 13.6988 14.3676 14.3676 15.5631 15.5631 16.1914 16.1914 16.3294 16.3294 k = 0.4018-0.7647-0.0508 ( 3457 PWs) bands (ev): -11.0516 -11.0516 -10.5741 -10.5741 -10.3048 -10.3048 -10.0559 -10.0559 -9.8612 -9.8612 -9.8219 -9.8219 0.4222 0.4222 0.8189 0.8189 0.9436 0.9436 1.4485 1.4485 1.9370 1.9370 2.3759 2.3759 2.9990 2.9990 3.2792 3.2792 3.5243 3.5243 3.8196 3.8196 4.4817 4.4817 4.7336 4.7336 5.0593 5.0593 5.2185 5.2185 5.4799 5.4799 5.6042 5.6042 5.7952 5.7952 6.6647 6.6647 13.6847 13.6847 14.3976 14.3976 15.5300 15.5300 16.1645 16.1645 16.2900 16.2900 k = 0.4107-0.7817-0.0519 ( 3456 PWs) bands (ev): -11.0113 -11.0113 -10.5715 -10.5715 -10.3222 -10.3222 -10.0467 -10.0467 -9.8540 -9.8540 -9.8169 -9.8169 0.3942 0.3942 0.8173 0.8173 0.9453 0.9453 1.4558 1.4558 1.8783 1.8783 2.3447 2.3447 2.9950 2.9950 3.2888 3.2888 3.4959 3.4959 3.8150 3.8150 4.5012 4.5012 4.7232 4.7232 5.0631 5.0631 5.2162 5.2162 5.4614 5.4614 5.6076 5.6076 5.7965 5.7965 6.6646 6.6646 13.6692 13.6692 14.4271 14.4271 15.4996 15.4996 16.1392 16.1392 16.2537 16.2537 k = 0.4196-0.7987-0.0530 ( 3457 PWs) bands (ev): -10.9715 -10.9715 -10.5695 -10.5695 -10.3406 -10.3406 -10.0382 -10.0382 -9.8473 -9.8473 -9.8123 -9.8123 0.3686 0.3686 0.8139 0.8139 0.9510 0.9510 1.4603 1.4603 1.8235 1.8235 2.3165 2.3165 2.9944 2.9944 3.2979 3.2979 3.4684 3.4684 3.8111 3.8111 4.5192 4.5192 4.7144 4.7144 5.0657 5.0657 5.2139 5.2139 5.4428 5.4428 5.6092 5.6092 5.8006 5.8006 6.6645 6.6645 13.6531 13.6531 14.4555 14.4555 15.4720 15.4720 16.1154 16.1154 16.2206 16.2206 k = 0.4286-0.8157-0.0542 ( 3453 PWs) bands (ev): -10.9322 -10.9322 -10.5685 -10.5685 -10.3598 -10.3598 -10.0305 -10.0305 -9.8411 -9.8411 -9.8083 -9.8083 0.3454 0.3454 0.8092 0.8092 0.9607 0.9607 1.4607 1.4607 1.7740 1.7740 2.2912 2.2912 2.9970 2.9970 3.3046 3.3046 3.4436 3.4436 3.8076 3.8076 4.5351 4.5351 4.7076 4.7076 5.0672 5.0672 5.2116 5.2116 5.4245 5.4245 5.6097 5.6097 5.8065 5.8065 6.6645 6.6645 13.6372 13.6372 14.4823 14.4823 15.4471 15.4471 16.0934 16.0934 16.1911 16.1911 k = 0.4375-0.8327-0.0553 ( 3454 PWs) bands (ev): -10.8936 -10.8936 -10.5687 -10.5687 -10.3794 -10.3794 -10.0236 -10.0236 -9.8354 -9.8354 -9.8048 -9.8048 0.3247 0.3247 0.8037 0.8037 0.9739 0.9739 1.4555 1.4555 1.7319 1.7319 2.2686 2.2686 3.0028 3.0028 3.3060 3.3060 3.4242 3.4242 3.8041 3.8041 4.5484 4.5484 4.7034 4.7034 5.0675 5.0675 5.2098 5.2098 5.4069 5.4069 5.6096 5.6096 5.8133 5.8133 6.6645 6.6645 13.6220 13.6220 14.5068 14.5068 15.4251 15.4251 16.0734 16.0734 16.1650 16.1650 k = 0.4464-0.8497-0.0564 ( 3458 PWs) bands (ev): -10.8559 -10.8559 -10.5705 -10.5705 -10.3989 -10.3989 -10.0176 -10.0176 -9.8303 -9.8303 -9.8018 -9.8018 0.3066 0.3066 0.7979 0.7979 0.9901 0.9901 1.4432 1.4432 1.6988 1.6988 2.2489 2.2489 3.0114 3.0114 3.2990 3.2990 3.4133 3.4133 3.8007 3.8007 4.5584 4.5584 4.7021 4.7021 5.0667 5.0667 5.2084 5.2084 5.3902 5.3902 5.6094 5.6094 5.8204 5.8204 6.6645 6.6645 13.6080 13.6080 14.5288 14.5288 15.4059 15.4059 16.0554 16.0554 16.1426 16.1426 k = 0.4554-0.8667-0.0576 ( 3462 PWs) bands (ev): -10.8192 -10.8192 -10.5746 -10.5746 -10.4176 -10.4176 -10.0125 -10.0125 -9.8259 -9.8259 -9.7994 -9.7994 0.2912 0.2912 0.7924 0.7924 1.0085 1.0085 1.4238 1.4238 1.6752 1.6752 2.2320 2.2320 3.0228 3.0228 3.2832 3.2832 3.4111 3.4111 3.7974 3.7974 4.5653 4.5653 4.7036 4.7036 5.0651 5.0651 5.2075 5.2075 5.3750 5.3750 5.6091 5.6091 5.8271 5.8271 6.6645 6.6645 13.5955 13.5955 14.5480 14.5480 15.3896 15.3896 16.0398 16.0398 16.1237 16.1237 k = 0.4643-0.8837-0.0587 ( 3457 PWs) bands (ev): -10.7837 -10.7837 -10.5817 -10.5817 -10.4345 -10.4345 -10.0082 -10.0082 -9.8222 -9.8222 -9.7975 -9.7975 0.2786 0.2786 0.7875 0.7875 1.0282 1.0282 1.3992 1.3992 1.6600 1.6600 2.2181 2.2181 3.0362 3.0362 3.2621 3.2621 3.4143 3.4143 3.7943 3.7943 4.5693 4.5693 4.7072 4.7072 5.0629 5.0629 5.2072 5.2072 5.3618 5.3618 5.6089 5.6089 5.8330 5.8330 6.6646 6.6646 13.5850 13.5850 14.5640 14.5640 15.3762 15.3762 16.0266 16.0266 16.1084 16.1084 k = 0.4732-0.9007-0.0598 ( 3457 PWs) bands (ev): -10.7499 -10.7499 -10.5926 -10.5926 -10.4485 -10.4485 -10.0049 -10.0049 -9.8192 -9.8192 -9.7961 -9.7961 0.2687 0.2687 0.7834 0.7834 1.0480 1.0480 1.3729 1.3729 1.6511 1.6511 2.2072 2.2072 3.0510 3.0510 3.2394 3.2394 3.4193 3.4193 3.7915 3.7915 4.5712 4.5712 4.7117 4.7117 5.0605 5.0605 5.2073 5.2073 5.3508 5.3508 5.6088 5.6088 5.8379 5.8379 6.6646 6.6646 13.5765 13.5765 14.5766 14.5766 15.3658 15.3658 16.0161 16.0161 16.0966 16.0966 k = 0.4821-0.9177-0.0609 ( 3460 PWs) bands (ev): -10.7181 -10.7181 -10.6076 -10.6076 -10.4588 -10.4588 -10.0025 -10.0025 -9.8170 -9.8170 -9.7951 -9.7951 0.2615 0.2615 0.7804 0.7804 1.0658 1.0658 1.3489 1.3489 1.6462 1.6462 2.1994 2.1994 3.0656 3.0656 3.2184 3.2184 3.4241 3.4241 3.7893 3.7893 4.5719 4.5719 4.7160 4.7160 5.0583 5.0583 5.2076 5.2076 5.3427 5.3427 5.6087 5.6087 5.8415 5.8415 6.6646 6.6646 13.5703 13.5703 14.5858 14.5858 15.3584 15.3584 16.0085 16.0085 16.0882 16.0882 k = 0.4911-0.9346-0.0621 ( 3465 PWs) bands (ev): -10.6902 -10.6902 -10.6256 -10.6256 -10.4650 -10.4650 -10.0011 -10.0011 -9.8156 -9.8156 -9.7945 -9.7945 0.2573 0.2573 0.7786 0.7786 1.0788 1.0788 1.3317 1.3317 1.6439 1.6439 2.1947 2.1947 3.0775 3.0775 3.2024 3.2024 3.4274 3.4274 3.7879 3.7879 4.5721 4.5721 4.7190 4.7190 5.0567 5.0567 5.2079 5.2079 5.3376 5.3376 5.6087 5.6087 5.8438 5.8438 6.6646 6.6646 13.5666 13.5666 14.5914 14.5914 15.3539 15.3539 16.0039 16.0039 16.0831 16.0831 k = 0.5000-0.9516-0.0632 ( 3468 PWs) bands (ev): -10.6749 -10.6749 -10.6375 -10.6375 -10.4670 -10.4670 -10.0006 -10.0006 -9.8152 -9.8152 -9.7943 -9.7943 0.2559 0.2559 0.7779 0.7779 1.0836 1.0836 1.3253 1.3253 1.6432 1.6432 2.1931 2.1931 3.0823 3.0823 3.1962 3.1962 3.4286 3.4286 3.7874 3.7874 4.5721 4.5721 4.7200 4.7200 5.0562 5.0562 5.2080 5.2080 5.3359 5.3359 5.6087 5.6087 5.8445 5.8445 6.6646 6.6646 13.5653 13.5653 14.5932 14.5932 15.3524 15.3524 16.0024 16.0024 16.0815 16.0815 k = 0.5000-0.9516 0.4932 ( 3452 PWs) bands (ev): -10.5199 -10.5199 -10.5147 -10.5147 -10.3218 -10.3218 -10.1666 -10.1666 -9.9911 -9.9911 -9.9652 -9.9652 0.7593 0.7593 1.0065 1.0065 1.3388 1.3388 1.5186 1.5186 1.7310 1.7310 1.8721 1.8721 2.6203 2.6203 2.9286 2.9286 3.7702 3.7702 4.0822 4.0822 4.2076 4.2076 4.3578 4.3578 4.9568 4.9568 5.1314 5.1314 5.4587 5.4587 5.5385 5.5385 5.7905 5.7905 6.0538 6.0538 14.6567 14.6567 14.6696 14.6696 16.5312 16.5312 16.6312 16.6312 16.9030 16.9030 k = 0.4919-0.9363 0.4852 ( 3453 PWs) bands (ev): -10.5384 -10.5384 -10.4985 -10.4985 -10.3214 -10.3214 -10.1681 -10.1681 -9.9905 -9.9905 -9.9644 -9.9644 0.7590 0.7590 1.0072 1.0072 1.3388 1.3388 1.5199 1.5199 1.7331 1.7331 1.8733 1.8733 2.6207 2.6207 2.9282 2.9282 3.7689 3.7689 4.0803 4.0803 4.2108 4.2108 4.3585 4.3585 4.9561 4.9561 5.1315 5.1315 5.4590 5.4590 5.5385 5.5385 5.7879 5.7879 6.0570 6.0570 14.6556 14.6556 14.6691 14.6691 16.5285 16.5285 16.6358 16.6358 16.9002 16.9002 k = 0.4839-0.9209 0.4773 ( 3447 PWs) bands (ev): -10.5616 -10.5616 -10.4824 -10.4824 -10.3203 -10.3203 -10.1723 -10.1723 -9.9888 -9.9888 -9.9616 -9.9616 0.7582 0.7582 1.0092 1.0092 1.3390 1.3390 1.5237 1.5237 1.7393 1.7393 1.8772 1.8772 2.6217 2.6217 2.9269 2.9269 3.7651 3.7651 4.0750 4.0750 4.2198 4.2198 4.3604 4.3604 4.9539 4.9539 5.1319 5.1319 5.4601 5.4601 5.5382 5.5382 5.7808 5.7808 6.0658 6.0658 14.6522 14.6522 14.6679 14.6679 16.5218 16.5218 16.6482 16.6482 16.8943 16.8943 k = 0.4758-0.9056 0.4693 ( 3441 PWs) bands (ev): -10.5868 -10.5868 -10.4688 -10.4688 -10.3185 -10.3185 -10.1787 -10.1787 -9.9870 -9.9870 -9.9566 -9.9566 0.7572 0.7572 1.0124 1.0124 1.3394 1.3394 1.5299 1.5299 1.7492 1.7492 1.8837 1.8837 2.6233 2.6233 2.9248 2.9248 3.7590 3.7590 4.0675 4.0675 4.2334 4.2334 4.3637 4.3637 4.9503 4.9503 5.1325 5.1325 5.4620 5.4620 5.5373 5.5373 5.7706 5.7706 6.0793 6.0793 14.6465 14.6465 14.6659 14.6659 16.5133 16.5133 16.6662 16.6662 16.8883 16.8883 k = 0.4677-0.8902 0.4613 ( 3443 PWs) bands (ev): -10.6139 -10.6139 -10.4577 -10.4577 -10.3163 -10.3163 -10.1868 -10.1868 -9.9855 -9.9855 -9.9493 -9.9493 0.7560 0.7560 1.0163 1.0163 1.3405 1.3405 1.5381 1.5381 1.7624 1.7624 1.8935 1.8935 2.6254 2.6254 2.9221 2.9221 3.7513 3.7513 4.0587 4.0587 4.2501 4.2501 4.3679 4.3679 4.9456 4.9456 5.1331 5.1331 5.4649 5.4649 5.5352 5.5352 5.7592 5.7592 6.0961 6.0961 14.6386 14.6386 14.6631 14.6631 16.5045 16.5045 16.6878 16.6878 16.8835 16.8835 k = 0.4597-0.8749 0.4534 ( 3443 PWs) bands (ev): -10.6428 -10.6428 -10.4490 -10.4490 -10.3139 -10.3139 -10.1958 -10.1958 -9.9845 -9.9845 -9.9402 -9.9402 0.7549 0.7549 1.0208 1.0208 1.3426 1.3426 1.5482 1.5482 1.7780 1.7780 1.9069 1.9069 2.6281 2.6281 2.9190 2.9190 3.7423 3.7423 4.0493 4.0493 4.2691 4.2691 4.3731 4.3731 4.9397 4.9397 5.1338 5.1338 5.4687 5.4687 5.5310 5.5310 5.7485 5.7485 6.1150 6.1150 14.6283 14.6283 14.6597 14.6597 16.4963 16.4963 16.7119 16.7119 16.8802 16.8802 k = 0.4516-0.8595 0.4454 ( 3446 PWs) bands (ev): -10.6733 -10.6733 -10.4425 -10.4425 -10.3119 -10.3119 -10.2052 -10.2052 -9.9840 -9.9840 -9.9299 -9.9299 0.7543 0.7543 1.0254 1.0254 1.3458 1.3458 1.5598 1.5598 1.7954 1.7954 1.9246 1.9246 2.6311 2.6311 2.9156 2.9156 3.7326 3.7326 4.0396 4.0396 4.2894 4.2894 4.3790 4.3790 4.9330 4.9330 5.1344 5.1344 5.4733 5.4733 5.5243 5.5243 5.7401 5.7401 6.1351 6.1351 14.6156 14.6156 14.6558 14.6558 16.4891 16.4891 16.7377 16.7377 16.8784 16.8784 k = 0.4435-0.8442 0.4375 ( 3447 PWs) bands (ev): -10.7052 -10.7052 -10.4381 -10.4381 -10.3107 -10.3107 -10.2143 -10.2143 -9.9837 -9.9837 -9.9188 -9.9188 0.7544 0.7544 1.0301 1.0301 1.3504 1.3504 1.5728 1.5728 1.8136 1.8136 1.9472 1.9472 2.6343 2.6343 2.9124 2.9124 3.7228 3.7228 4.0299 4.0299 4.3105 4.3105 4.3855 4.3855 4.9256 4.9256 5.1350 5.1350 5.4776 5.4776 5.5158 5.5158 5.7351 5.7351 6.1558 6.1558 14.6004 14.6004 14.6515 14.6515 16.4829 16.4829 16.7644 16.7644 16.8782 16.8782 k = 0.4355-0.8288 0.4295 ( 3445 PWs) bands (ev): -10.7385 -10.7385 -10.4355 -10.4355 -10.3110 -10.3110 -10.2225 -10.2225 -9.9836 -9.9836 -9.9074 -9.9074 0.7553 0.7553 1.0345 1.0345 1.3561 1.3561 1.5867 1.5867 1.8322 1.8322 1.9750 1.9750 2.6376 2.6376 2.9098 2.9098 3.7134 3.7134 4.0205 4.0205 4.3318 4.3318 4.3923 4.3923 4.9176 4.9176 5.1355 5.1355 5.4780 5.4780 5.5092 5.5092 5.7339 5.7339 6.1766 6.1766 14.5827 14.5827 14.6470 14.6470 16.4778 16.4778 16.7914 16.7914 16.8793 16.8793 k = 0.4274-0.8135 0.4216 ( 3438 PWs) bands (ev): -10.7730 -10.7730 -10.4343 -10.4343 -10.3131 -10.3131 -10.2293 -10.2293 -9.9836 -9.9836 -9.8960 -9.8960 0.7574 0.7574 1.0386 1.0386 1.3630 1.3630 1.6011 1.6011 1.8514 1.8514 2.0079 2.0079 2.6407 2.6407 2.9082 2.9082 3.7046 3.7046 4.0113 4.0113 4.3528 4.3528 4.3994 4.3994 4.9092 4.9092 5.1360 5.1360 5.4686 5.4686 5.5107 5.5107 5.7365 5.7365 6.1971 6.1971 14.5625 14.5625 14.6424 14.6424 16.4737 16.4737 16.8181 16.8181 16.8817 16.8817 k = 0.4194-0.7981 0.4136 ( 3440 PWs) bands (ev): -10.8086 -10.8086 -10.4345 -10.4345 -10.3175 -10.3175 -10.2347 -10.2347 -9.9837 -9.9837 -9.8848 -9.8848 0.7607 0.7607 1.0425 1.0425 1.3708 1.3708 1.6155 1.6155 1.8714 1.8714 2.0457 2.0457 2.6436 2.6436 2.9081 2.9081 3.6967 3.6967 4.0027 4.0027 4.3728 4.3728 4.4069 4.4069 4.9007 4.9007 5.1364 5.1364 5.4521 5.4521 5.5183 5.5183 5.7424 5.7424 6.2172 6.2172 14.5397 14.5397 14.6378 14.6378 16.4705 16.4705 16.8437 16.8437 16.8850 16.8850 k = 0.4113-0.7828 0.4057 ( 3442 PWs) bands (ev): -10.8451 -10.8451 -10.4359 -10.4359 -10.3238 -10.3238 -10.2387 -10.2387 -9.9839 -9.9839 -9.8740 -9.8740 0.7654 0.7654 1.0461 1.0461 1.3791 1.3791 1.6292 1.6292 1.8929 1.8929 2.0878 2.0878 2.6462 2.6462 2.9100 2.9100 3.6901 3.6901 3.9946 3.9946 4.3909 4.3909 4.4153 4.4153 4.8921 4.8921 5.1368 5.1368 5.4327 5.4327 5.5286 5.5286 5.7512 5.7512 6.2366 6.2366 14.5142 14.5142 14.6332 14.6332 16.4681 16.4681 16.8671 16.8671 16.8895 16.8895 k = 0.4032-0.7674 0.3977 ( 3445 PWs) bands (ev): -10.8825 -10.8825 -10.4383 -10.4383 -10.3317 -10.3317 -10.2418 -10.2418 -9.9841 -9.9841 -9.8638 -9.8638 0.7715 0.7715 1.0496 1.0496 1.3878 1.3878 1.6418 1.6418 1.9165 1.9165 2.1338 2.1338 2.6485 2.6485 2.9143 2.9143 3.6848 3.6848 3.9873 3.9873 4.4055 4.4055 4.4257 4.4257 4.8837 4.8837 5.1370 5.1370 5.4125 5.4125 5.5400 5.5400 5.7624 5.7624 6.2554 6.2554 14.4861 14.4861 14.6288 14.6288 16.4663 16.4663 16.8843 16.8843 16.8984 16.8984 k = 0.3952-0.7521 0.3898 ( 3450 PWs) bands (ev): -10.9206 -10.9206 -10.4417 -10.4417 -10.3405 -10.3405 -10.2444 -10.2444 -9.9843 -9.9843 -9.8542 -9.8542 0.7791 0.7791 1.0529 1.0529 1.3964 1.3964 1.6525 1.6525 1.9427 1.9427 2.1832 2.1832 2.6506 2.6506 2.9214 2.9214 3.6809 3.6809 3.9809 3.9809 4.4155 4.4155 4.4388 4.4388 4.8758 4.8758 5.1369 5.1369 5.3926 5.3926 5.5523 5.5523 5.7756 5.7756 6.2733 6.2733 14.4553 14.4553 14.6246 14.6246 16.4651 16.4651 16.8906 16.8906 16.9153 16.9153 k = 0.3871-0.7368 0.3818 ( 3455 PWs) bands (ev): -10.9594 -10.9594 -10.4460 -10.4460 -10.3499 -10.3499 -10.2469 -10.2469 -9.9847 -9.9847 -9.8455 -9.8455 0.7883 0.7883 1.0561 1.0561 1.4047 1.4047 1.6610 1.6610 1.9717 1.9717 2.2356 2.2356 2.6529 2.6529 2.9314 2.9314 3.6785 3.6785 3.9755 3.9755 4.4225 4.4225 4.4527 4.4527 4.8685 4.8685 5.1364 5.1364 5.3736 5.3736 5.5649 5.5649 5.7907 5.7907 6.2904 6.2904 14.4219 14.4219 14.6206 14.6206 16.4641 16.4641 16.8929 16.8929 16.9330 16.9330 k = 0.3790-0.7214 0.3738 ( 3451 PWs) bands (ev): -10.9987 -10.9987 -10.4512 -10.4512 -10.3594 -10.3594 -10.2497 -10.2497 -9.9851 -9.9851 -9.8376 -9.8376 0.7990 0.7990 1.0592 1.0592 1.4125 1.4125 1.6670 1.6670 2.0037 2.0037 2.2907 2.2907 2.6559 2.6559 2.9443 2.9443 3.6776 3.6776 3.9712 3.9712 4.4279 4.4279 4.4657 4.4657 4.8620 4.8620 5.1353 5.1353 5.3563 5.3563 5.5779 5.5779 5.8074 5.8074 6.3067 6.3067 14.3857 14.3857 14.6168 14.6168 16.4633 16.4633 16.8930 16.8930 16.9492 16.9492 k = 0.3710-0.7061 0.3659 ( 3450 PWs) bands (ev): -11.0385 -11.0385 -10.4573 -10.4573 -10.3687 -10.3687 -10.2529 -10.2529 -9.9858 -9.9858 -9.8306 -9.8306 0.8113 0.8113 1.0621 1.0621 1.4193 1.4193 1.6706 1.6706 2.0386 2.0386 2.3482 2.3482 2.6599 2.6599 2.9603 2.9603 3.6782 3.6782 3.9684 3.9684 4.4323 4.4323 4.4770 4.4770 4.8567 4.8567 5.1333 5.1333 5.3410 5.3410 5.5911 5.5911 5.8255 5.8255 6.3222 6.3222 14.3468 14.3468 14.6131 14.6131 16.4624 16.4624 16.8910 16.8910 16.9635 16.9635 k = 0.3629-0.6907 0.3579 ( 3450 PWs) bands (ev): -11.0786 -11.0786 -10.4641 -10.4641 -10.3777 -10.3777 -10.2567 -10.2567 -9.9865 -9.9865 -9.8246 -9.8246 0.8251 0.8251 1.0646 1.0646 1.4251 1.4251 1.6720 1.6720 2.0760 2.0760 2.4077 2.4077 2.6657 2.6657 2.9791 2.9791 3.6801 3.6801 3.9669 3.9669 4.4358 4.4358 4.4863 4.4863 4.8524 4.8524 5.1304 5.1304 5.3280 5.3280 5.6045 5.6045 5.8449 5.8449 6.3368 6.3368 14.3053 14.3053 14.6096 14.6096 16.4611 16.4611 16.8867 16.8867 16.9761 16.9761 k = 0.3548-0.6754 0.3500 ( 3447 PWs) bands (ev): -11.1190 -11.1190 -10.4717 -10.4717 -10.3863 -10.3863 -10.2610 -10.2610 -9.9875 -9.9875 -9.8195 -9.8195 0.8404 0.8404 1.0666 1.0666 1.4297 1.4297 1.6714 1.6714 2.1156 2.1156 2.4689 2.4689 2.6738 2.6738 3.0008 3.0008 3.6834 3.6834 3.9672 3.9672 4.4385 4.4385 4.4938 4.4938 4.8494 4.8494 5.1267 5.1267 5.3173 5.3173 5.6182 5.6182 5.8653 5.8653 6.3508 6.3508 14.2610 14.2610 14.6061 14.6061 16.4590 16.4590 16.8801 16.8801 16.9872 16.9872 k = 0.3468-0.6600 0.3420 ( 3446 PWs) bands (ev): -11.1596 -11.1596 -10.4798 -10.4798 -10.3944 -10.3944 -10.2658 -10.2658 -9.9887 -9.9887 -9.8155 -9.8155 0.8570 0.8570 1.0677 1.0677 1.4327 1.4327 1.6693 1.6693 2.1571 2.1571 2.5311 2.5311 2.6848 2.6848 3.0254 3.0254 3.6880 3.6880 3.9692 3.9692 4.4403 4.4403 4.4994 4.4994 4.8477 4.8477 5.1224 5.1224 5.3087 5.3087 5.6322 5.6322 5.8867 5.8867 6.3640 6.3640 14.2140 14.2140 14.6026 14.6026 16.4558 16.4558 16.8716 16.8716 16.9969 16.9969 k = 0.3387-0.6447 0.3341 ( 3445 PWs) bands (ev): -11.2003 -11.2003 -10.4885 -10.4885 -10.4021 -10.4021 -10.2712 -10.2712 -9.9903 -9.9903 -9.8126 -9.8126 0.8749 0.8749 1.0678 1.0678 1.4342 1.4342 1.6663 1.6663 2.2000 2.2000 2.5935 2.5935 2.6995 2.6995 3.0527 3.0527 3.6938 3.6938 3.9730 3.9730 4.4413 4.4413 4.5035 4.5035 4.8470 4.8470 5.1177 5.1177 5.3017 5.3017 5.6466 5.6466 5.9088 5.9088 6.3765 6.3765 14.1644 14.1644 14.5990 14.5990 16.4508 16.4508 16.8615 16.8615 17.0054 17.0054 k = 0.3306-0.6293 0.3261 ( 3442 PWs) bands (ev): -11.2409 -11.2409 -10.4975 -10.4975 -10.4094 -10.4094 -10.2770 -10.2770 -9.9921 -9.9921 -9.8106 -9.8106 0.8940 0.8940 1.0665 1.0665 1.4340 1.4340 1.6629 1.6629 2.2440 2.2440 2.6533 2.6533 2.7206 2.7206 3.0829 3.0829 3.7008 3.7008 3.9789 3.9789 4.4415 4.4415 4.5064 4.5064 4.8473 4.8473 5.1129 5.1129 5.2961 5.2961 5.6615 5.6615 5.9315 5.9315 6.3885 6.3885 14.1120 14.1120 14.5951 14.5951 16.4436 16.4436 16.8504 16.8504 17.0128 17.0128 k = 0.3226-0.6140 0.3182 ( 3443 PWs) bands (ev): -11.2816 -11.2816 -10.5067 -10.5067 -10.4164 -10.4164 -10.2833 -10.2833 -9.9942 -9.9942 -9.8097 -9.8097 0.9139 0.9139 1.0635 1.0635 1.4322 1.4322 1.6599 1.6599 2.2887 2.2887 2.7019 2.7019 2.7561 2.7561 3.1163 3.1163 3.7088 3.7088 3.9869 3.9869 4.4410 4.4410 4.5085 4.5085 4.8483 4.8483 5.1085 5.1085 5.2912 5.2912 5.6771 5.6771 5.9547 5.9547 6.3999 6.3999 14.0570 14.0570 14.5908 14.5908 16.4334 16.4334 16.8391 16.8391 17.0192 17.0192 k = 0.3145-0.5986 0.3102 ( 3445 PWs) bands (ev): -11.3221 -11.3221 -10.5159 -10.5159 -10.4231 -10.4231 -10.2900 -10.2900 -9.9967 -9.9967 -9.8098 -9.8098 0.9341 0.9341 1.0588 1.0588 1.4288 1.4288 1.6577 1.6577 2.3340 2.3340 2.7339 2.7339 2.8108 2.8108 3.1529 3.1529 3.7179 3.7179 3.9971 3.9971 4.4399 4.4399 4.5102 4.5102 4.8499 4.8499 5.1046 5.1046 5.2867 5.2867 5.6934 5.6934 5.9780 5.9780 6.4108 6.4108 13.9994 13.9994 14.5860 14.5860 16.4196 16.4196 16.8282 16.8282 17.0248 17.0248 k = 0.3065-0.5833 0.3023 ( 3447 PWs) bands (ev): -11.3624 -11.3624 -10.5252 -10.5252 -10.4297 -10.4297 -10.2969 -10.2969 -9.9996 -9.9996 -9.8110 -9.8110 0.9536 0.9536 1.0530 1.0530 1.4239 1.4239 1.6570 1.6570 2.3794 2.3794 2.7600 2.7600 2.8733 2.8733 3.1932 3.1932 3.7280 3.7280 4.0095 4.0095 4.4385 4.4385 4.5118 4.5118 4.8519 4.8519 5.1015 5.1015 5.2823 5.2823 5.7105 5.7105 6.0015 6.0015 6.4213 6.4213 13.9392 13.9392 14.5805 14.5805 16.4017 16.4017 16.8183 16.8183 17.0299 17.0299 k = 0.2984-0.5679 0.2943 ( 3446 PWs) bands (ev): -11.4024 -11.4024 -10.5343 -10.5343 -10.4362 -10.4362 -10.3041 -10.3041 -10.0028 -10.0028 -9.8131 -9.8131 0.9697 0.9697 1.0484 1.0484 1.4176 1.4176 1.6583 1.6583 2.4249 2.4249 2.7853 2.7853 2.9374 2.9374 3.2374 3.2374 3.7392 3.7392 4.0242 4.0242 4.4372 4.4372 4.5134 4.5134 4.8542 4.8542 5.0990 5.0990 5.2776 5.2776 5.7284 5.7284 6.0250 6.0250 6.4314 6.4314 13.8765 13.8765 14.5742 14.5742 16.3792 16.3792 16.8099 16.8099 17.0346 17.0346 k = 0.2903-0.5526 0.2864 ( 3448 PWs) bands (ev): -11.4420 -11.4420 -10.5432 -10.5432 -10.4426 -10.4426 -10.3115 -10.3115 -10.0064 -10.0064 -9.8161 -9.8161 0.9765 0.9765 1.0507 1.0507 1.4101 1.4101 1.6619 1.6619 2.4700 2.4700 2.8110 2.8110 3.0015 3.0015 3.2857 3.2857 3.7514 3.7514 4.0411 4.0411 4.4363 4.4363 4.5152 4.5152 4.8567 4.8567 5.0974 5.0974 5.2726 5.2726 5.7472 5.7472 6.0483 6.0483 6.4412 6.4412 13.8112 13.8112 14.5669 14.5669 16.3520 16.3520 16.8032 16.8032 17.0390 17.0390 k = 0.2823-0.5372 0.2784 ( 3445 PWs) bands (ev): -11.4813 -11.4813 -10.5519 -10.5519 -10.4491 -10.4491 -10.3189 -10.3189 -10.0104 -10.0104 -9.8202 -9.8202 0.9695 0.9695 1.0641 1.0641 1.4013 1.4013 1.6682 1.6682 2.5146 2.5146 2.8369 2.8369 3.0647 3.0647 3.3382 3.3382 3.7647 3.7647 4.0602 4.0602 4.4362 4.4362 4.5172 4.5172 4.8595 4.8595 5.0963 5.0963 5.2672 5.2672 5.7667 5.7667 6.0714 6.0714 6.4507 6.4507 13.7436 13.7436 14.5586 14.5586 16.3201 16.3201 16.7980 16.7980 17.0435 17.0435 k = 0.2742-0.5219 0.2704 ( 3448 PWs) bands (ev): -11.5201 -11.5201 -10.5602 -10.5602 -10.4555 -10.4555 -10.3264 -10.3264 -10.0148 -10.0148 -9.8251 -9.8251 0.9522 0.9522 1.0852 1.0852 1.3912 1.3912 1.6772 1.6772 2.5583 2.5583 2.8631 2.8631 3.1268 3.1268 3.3946 3.3946 3.7793 3.7793 4.0815 4.0815 4.4373 4.4373 4.5195 4.5195 4.8626 4.8626 5.0958 5.0958 5.2613 5.2613 5.7869 5.7869 6.0940 6.0940 6.4600 6.4600 13.6736 13.6736 14.5490 14.5490 16.2838 16.2838 16.7940 16.7940 17.0478 17.0478 k = 0.2661-0.5065 0.2625 ( 3453 PWs) bands (ev): -11.5584 -11.5584 -10.5681 -10.5681 -10.4621 -10.4621 -10.3339 -10.3339 -10.0195 -10.0195 -9.8308 -9.8308 0.9288 0.9288 1.1101 1.1101 1.3800 1.3800 1.6890 1.6890 2.6005 2.6005 2.8894 2.8894 3.1879 3.1879 3.4542 3.4542 3.7955 3.7955 4.1049 4.1049 4.4398 4.4398 4.5221 4.5221 4.8660 4.8660 5.0956 5.0956 5.2551 5.2551 5.8078 5.8078 6.1162 6.1162 6.4690 6.4690 13.6014 13.6014 14.5381 14.5381 16.2434 16.2434 16.7909 16.7909 17.0517 17.0517 k = 0.2581-0.4912 0.2545 ( 3446 PWs) bands (ev): -11.5961 -11.5961 -10.5756 -10.5756 -10.4687 -10.4687 -10.3412 -10.3412 -10.0246 -10.0246 -9.8374 -9.8374 0.9012 0.9012 1.1369 1.1369 1.3677 1.3677 1.7035 1.7035 2.6407 2.6407 2.9162 2.9162 3.2481 3.2481 3.5163 3.5163 3.8136 3.8136 4.1302 4.1302 4.4441 4.4441 4.5250 4.5250 4.8699 4.8699 5.0955 5.0955 5.2487 5.2487 5.8293 5.8293 6.1378 6.1378 6.4779 6.4779 13.5270 13.5270 14.5258 14.5258 16.1994 16.1994 16.7879 16.7879 17.0543 17.0543 k = 0.2500-0.4758 0.2466 ( 3442 PWs) bands (ev): -11.6331 -11.6331 -10.5827 -10.5827 -10.4755 -10.4755 -10.3484 -10.3484 -10.0300 -10.0300 -9.8447 -9.8447 0.8707 0.8707 1.1649 1.1649 1.3543 1.3543 1.7204 1.7204 2.6781 2.6781 2.9439 2.9439 3.3077 3.3077 3.5793 3.5793 3.8342 3.8342 4.1573 4.1573 4.4502 4.4502 4.5283 4.5283 4.8743 4.8743 5.0955 5.0955 5.2424 5.2424 5.8513 5.8513 6.1587 6.1587 6.4866 6.4866 13.4506 13.4506 14.5120 14.5120 16.1523 16.1523 16.7847 16.7847 17.0534 17.0534 k = 0.2419-0.4605 0.2386 ( 3443 PWs) bands (ev): -11.6695 -11.6695 -10.5892 -10.5892 -10.4823 -10.4823 -10.3554 -10.3554 -10.0357 -10.0357 -9.8528 -9.8528 0.8378 0.8378 1.1936 1.1936 1.3401 1.3401 1.7396 1.7396 2.7119 2.7119 2.9732 2.9732 3.3667 3.3667 3.6417 3.6417 3.8582 3.8582 4.1860 4.1860 4.4583 4.4583 4.5320 4.5320 4.8795 4.8795 5.0953 5.0953 5.2364 5.2364 5.8736 5.8736 6.1789 6.1789 6.4950 6.4950 13.3723 13.3723 14.4967 14.4967 16.1024 16.1024 16.7807 16.7807 17.0440 17.0440 k = 0.2339-0.4451 0.2307 ( 3443 PWs) bands (ev): -11.7051 -11.7051 -10.5953 -10.5953 -10.4893 -10.4893 -10.3622 -10.3622 -10.0418 -10.0418 -9.8615 -9.8615 0.8031 0.8031 1.2225 1.2225 1.3253 1.3253 1.7606 1.7606 2.7411 2.7411 3.0047 3.0047 3.4253 3.4253 3.7013 3.7013 3.8871 3.8871 4.2161 4.2161 4.4684 4.4684 4.5362 4.5362 4.8854 4.8854 5.0949 5.0949 5.2309 5.2309 5.8963 5.8963 6.1982 6.1982 6.5034 6.5034 13.2922 13.2922 14.4798 14.4798 16.0501 16.0501 16.7756 16.7756 17.0179 17.0179 k = 0.2258-0.4298 0.2227 ( 3446 PWs) bands (ev): -11.7400 -11.7400 -10.6009 -10.6009 -10.4964 -10.4964 -10.3687 -10.3687 -10.0481 -10.0481 -9.8709 -9.8709 0.7672 0.7672 1.2508 1.2508 1.3107 1.3107 1.7833 1.7833 2.7653 2.7653 3.0390 3.0390 3.4835 3.4835 3.7557 3.7557 3.9224 3.9224 4.2473 4.2473 4.4804 4.4804 4.5410 4.5410 4.8924 4.8924 5.0941 5.0941 5.2264 5.2264 5.9190 5.9190 6.2167 6.2167 6.5116 6.5116 13.2106 13.2106 14.4615 14.4615 15.9959 15.9959 16.7689 16.7689 16.9689 16.9689 k = 0.2177-0.4144 0.2148 ( 3450 PWs) bands (ev): -11.7740 -11.7740 -10.6059 -10.6059 -10.5036 -10.5036 -10.3749 -10.3749 -10.0546 -10.0546 -9.8808 -9.8808 0.7303 0.7303 1.2723 1.2723 1.3025 1.3025 1.8072 1.8072 2.7844 2.7844 3.0762 3.0762 3.5412 3.5412 3.8030 3.8030 3.9650 3.9650 4.2793 4.2793 4.4944 4.4944 4.5464 4.5464 4.9005 4.9005 5.0930 5.0930 5.2232 5.2232 5.9419 5.9419 6.2343 6.2343 6.5196 6.5196 13.1275 13.1275 14.4417 14.4417 15.9399 15.9399 16.7602 16.7602 16.9018 16.9018 k = 0.2097-0.3991 0.2068 ( 3451 PWs) bands (ev): -11.8071 -11.8071 -10.6105 -10.6105 -10.5108 -10.5108 -10.3808 -10.3808 -10.0613 -10.0613 -9.8912 -9.8912 0.6929 0.6929 1.2677 1.2677 1.3201 1.3201 1.8321 1.8321 2.7985 2.7985 3.1162 3.1162 3.5981 3.5981 3.8438 3.8438 4.0136 4.0136 4.3119 4.3119 4.5103 4.5103 4.5527 4.5527 4.9100 4.9100 5.0915 5.0915 5.2217 5.2217 5.9647 5.9647 6.2508 6.2508 6.5276 6.5276 13.0432 13.0432 14.4205 14.4205 15.8826 15.8826 16.7480 16.7480 16.8262 16.8262 k = 0.2016-0.3837 0.1989 ( 3451 PWs) bands (ev): -11.8393 -11.8393 -10.6145 -10.6145 -10.5181 -10.5181 -10.3864 -10.3864 -10.0683 -10.0683 -9.9021 -9.9021 0.6551 0.6551 1.2521 1.2521 1.3482 1.3482 1.8577 1.8577 2.8084 2.8084 3.1585 3.1585 3.6540 3.6540 3.8800 3.8800 4.0650 4.0650 4.3448 4.3448 4.5278 4.5278 4.5603 4.5603 4.9208 4.9208 5.0898 5.0898 5.2223 5.2223 5.9873 5.9873 6.2663 6.2663 6.5354 6.5354 12.9579 12.9579 14.3980 14.3980 15.8241 15.8241 16.7185 16.7185 16.7614 16.7614 k = 0.1935-0.3684 0.1909 ( 3449 PWs) bands (ev): -11.8706 -11.8706 -10.6181 -10.6181 -10.5253 -10.5253 -10.3917 -10.3917 -10.0753 -10.0753 -9.9134 -9.9134 0.6174 0.6174 1.2348 1.2348 1.3778 1.3778 1.8836 1.8836 2.8146 2.8146 3.2025 3.2025 3.7085 3.7085 3.9141 3.9141 4.1156 4.1156 4.3779 4.3779 4.5461 4.5461 4.5705 4.5705 4.9331 4.9331 5.0879 5.0879 5.2254 5.2254 6.0098 6.0098 6.2808 6.2808 6.5432 6.5432 12.8717 12.8717 14.3744 14.3744 15.7648 15.7648 16.6458 16.6458 16.7363 16.7363 k = 0.1855-0.3530 0.1829 ( 3448 PWs) bands (ev): -11.9008 -11.9008 -10.6211 -10.6211 -10.5324 -10.5324 -10.3967 -10.3967 -10.0825 -10.0825 -9.9250 -9.9250 0.5800 0.5800 1.2170 1.2170 1.4076 1.4076 1.9095 1.9095 2.8179 2.8179 3.2477 3.2477 3.7611 3.7611 3.9478 3.9478 4.1623 4.1623 4.4111 4.4111 4.5622 4.5622 4.5862 4.5862 4.9467 4.9467 5.0863 5.0863 5.2318 5.2318 6.0318 6.0318 6.2941 6.2941 6.5509 6.5509 12.7849 12.7849 14.3497 14.3497 15.7050 15.7050 16.5622 16.5622 16.7201 16.7201 k = 0.1774-0.3377 0.1750 ( 3446 PWs) bands (ev): -11.9301 -11.9301 -10.6238 -10.6238 -10.5394 -10.5394 -10.4014 -10.4014 -10.0897 -10.0897 -9.9369 -9.9369 0.5429 0.5429 1.1990 1.1990 1.4373 1.4373 1.9352 1.9352 2.8190 2.8190 3.2938 3.2938 3.8114 3.8114 3.9822 3.9822 4.2028 4.2028 4.4441 4.4441 4.5751 4.5751 4.6089 4.6089 4.9615 4.9615 5.0850 5.0850 5.2419 5.2419 6.0535 6.0535 6.3062 6.3062 6.5586 6.5586 12.6979 12.6979 14.3242 14.3242 15.6448 15.6448 16.4776 16.4776 16.7041 16.7041 k = 0.1694-0.3223 0.1670 ( 3443 PWs) bands (ev): -11.9582 -11.9582 -10.6260 -10.6260 -10.5461 -10.5461 -10.4059 -10.4059 -10.0970 -10.0970 -9.9490 -9.9490 0.5065 0.5065 1.1811 1.1811 1.4668 1.4668 1.9603 1.9603 2.8185 2.8185 3.3401 3.3401 3.8587 3.8587 4.0183 4.0183 4.2358 4.2358 4.4760 4.4760 4.5875 4.5875 4.6362 4.6362 4.9769 4.9769 5.0844 5.0844 5.2565 5.2565 6.0747 6.0747 6.3171 6.3171 6.5663 6.5663 12.6107 12.6107 14.2980 14.2980 15.5846 15.5846 16.3937 16.3937 16.6874 16.6874 k = 0.1613-0.3070 0.1591 ( 3440 PWs) bands (ev): -11.9853 -11.9853 -10.6279 -10.6279 -10.5525 -10.5525 -10.4102 -10.4102 -10.1042 -10.1042 -9.9612 -9.9612 0.4709 0.4709 1.1633 1.1633 1.4959 1.4959 1.9846 1.9846 2.8169 2.8169 3.3865 3.3865 3.9028 3.9028 4.0564 4.0564 4.2612 4.2612 4.5049 4.5049 4.6024 4.6024 4.6660 4.6660 4.9926 4.9926 5.0846 5.0846 5.2764 5.2764 6.0953 6.0953 6.3268 6.3268 6.5740 6.5740 12.5237 12.5237 14.2713 14.2713 15.5246 15.5246 16.3112 16.3112 16.6699 16.6699 k = 0.1532-0.2916 0.1511 ( 3436 PWs) bands (ev): -12.0112 -12.0112 -10.6296 -10.6296 -10.5584 -10.5584 -10.4143 -10.4143 -10.1114 -10.1114 -9.9735 -9.9735 0.4362 0.4362 1.1459 1.1459 1.5245 1.5245 2.0079 2.0079 2.8146 2.8146 3.4326 3.4326 3.9434 3.9434 4.0962 4.0962 4.2797 4.2797 4.5278 4.5278 4.6219 4.6219 4.6973 4.6973 5.0080 5.0080 5.0857 5.0857 5.3020 5.3020 6.1153 6.1153 6.3353 6.3353 6.5818 6.5818 12.4373 12.4373 14.2443 14.2443 15.4651 15.4651 16.2305 16.2305 16.6519 16.6519 k = 0.1452-0.2763 0.1432 ( 3436 PWs) bands (ev): -12.0360 -12.0360 -10.6311 -10.6311 -10.5638 -10.5638 -10.4183 -10.4183 -10.1185 -10.1185 -9.9859 -9.9859 0.4027 0.4027 1.1288 1.1288 1.5526 1.5526 2.0298 2.0298 2.8121 2.8121 3.4782 3.4782 3.9806 3.9806 4.1373 4.1373 4.2928 4.2928 4.5436 4.5436 4.6461 4.6461 4.7291 4.7291 5.0230 5.0230 5.0879 5.0879 5.3334 5.3334 6.1346 6.1346 6.3426 6.3426 6.5896 6.5896 12.3517 12.3517 14.2172 14.2172 15.4063 15.4063 16.1521 16.1521 16.6335 16.6335 k = 0.1371-0.2609 0.1352 ( 3436 PWs) bands (ev): -12.0596 -12.0596 -10.6326 -10.6326 -10.5684 -10.5684 -10.4221 -10.4221 -10.1254 -10.1254 -9.9982 -9.9982 0.3703 0.3703 1.1122 1.1122 1.5800 1.5800 2.0503 2.0503 2.8096 2.8096 3.5232 3.5232 4.0149 4.0149 4.1782 4.1782 4.3023 4.3023 4.5537 4.5537 4.6726 4.6726 4.7610 4.7610 5.0371 5.0371 5.0916 5.0916 5.3704 5.3704 6.1532 6.1532 6.3487 6.3487 6.5975 6.5975 12.2673 12.2673 14.1901 14.1901 15.3486 15.3486 16.0763 16.0763 16.6150 16.6150 k = 0.1290-0.2456 0.1273 ( 3432 PWs) bands (ev): -12.0819 -12.0819 -10.6342 -10.6342 -10.5721 -10.5721 -10.4259 -10.4259 -10.1321 -10.1321 -10.0104 -10.0104 0.3393 0.3393 1.0962 1.0962 1.6066 1.6066 2.0690 2.0690 2.8075 2.8075 3.5673 3.5673 4.0466 4.0466 4.2165 4.2165 4.3112 4.3112 4.5600 4.5600 4.6984 4.6984 4.7925 4.7925 5.0500 5.0500 5.0973 5.0973 5.4122 5.4122 6.1710 6.1710 6.3536 6.3536 6.6056 6.6056 12.1844 12.1844 14.1633 14.1633 15.2922 15.2922 16.0033 16.0033 16.5968 16.5968 k = 0.1210-0.2302 0.1193 ( 3430 PWs) bands (ev): -12.1031 -12.1031 -10.6361 -10.6361 -10.5748 -10.5748 -10.4297 -10.4297 -10.1386 -10.1386 -10.0224 -10.0224 0.3097 0.3097 1.0808 1.0808 1.6324 1.6324 2.0860 2.0860 2.8060 2.8060 3.6103 3.6103 4.0759 4.0759 4.2470 4.2470 4.3247 4.3247 4.5640 4.5640 4.7215 4.7215 4.8233 4.8233 5.0606 5.0606 5.1065 5.1065 5.4577 5.4577 6.1879 6.1879 6.3575 6.3575 6.6137 6.6137 12.1034 12.1034 14.1370 14.1370 15.2373 15.2373 15.9333 15.9333 16.5791 16.5791 k = 0.1129-0.2149 0.1114 ( 3429 PWs) bands (ev): -12.1229 -12.1229 -10.6382 -10.6382 -10.5764 -10.5764 -10.4334 -10.4334 -10.1448 -10.1448 -10.0342 -10.0342 0.2816 0.2816 1.0661 1.0661 1.6573 1.6573 2.1010 2.1010 2.8052 2.8052 3.6523 3.6523 4.1029 4.1029 4.2636 4.2636 4.3492 4.3492 4.5668 4.5668 4.7409 4.7409 4.8533 4.8533 5.0679 5.0679 5.1201 5.1201 5.5058 5.5058 6.2039 6.2039 6.3603 6.3603 6.6219 6.6219 12.0247 12.0247 14.1113 14.1113 15.1844 15.1844 15.8667 15.8667 16.5622 16.5622 k = 0.1048-0.1995 0.1034 ( 3425 PWs) bands (ev): -12.1415 -12.1415 -10.6407 -10.6407 -10.5769 -10.5769 -10.4372 -10.4372 -10.1506 -10.1506 -10.0457 -10.0457 0.2551 0.2551 1.0522 1.0522 1.6812 1.6812 2.1140 2.1140 2.8052 2.8052 3.6929 3.6929 4.1276 4.1276 4.2685 4.2685 4.3829 4.3829 4.5688 4.5688 4.7564 4.7564 4.8821 4.8821 5.0724 5.0724 5.1375 5.1375 5.5554 5.5554 6.2190 6.2190 6.3622 6.3622 6.6302 6.6302 11.9486 11.9486 14.0865 14.0865 15.1336 15.1336 15.8036 15.8036 16.5464 16.5464 k = 0.0968-0.1842 0.0955 ( 3421 PWs) bands (ev): -12.1588 -12.1588 -10.6434 -10.6434 -10.5763 -10.5763 -10.4411 -10.4411 -10.1560 -10.1560 -10.0568 -10.0568 0.2303 0.2303 1.0392 1.0392 1.7040 1.7040 2.1250 2.1250 2.8060 2.8060 3.7321 3.7321 4.1496 4.1496 4.2677 4.2677 4.4198 4.4198 4.5706 4.5706 4.7681 4.7681 4.9097 4.9097 5.0749 5.0749 5.1576 5.1576 5.6054 5.6054 6.2331 6.2331 6.3632 6.3632 6.6385 6.6385 11.8757 11.8757 14.0627 14.0627 15.0853 15.0853 15.7443 15.7443 16.5320 16.5320 k = 0.0887-0.1688 0.0875 ( 3419 PWs) bands (ev): -12.1748 -12.1748 -10.6463 -10.6463 -10.5747 -10.5747 -10.4451 -10.4451 -10.1610 -10.1610 -10.0675 -10.0675 0.2072 0.2072 1.0270 1.0270 1.7256 1.7256 2.1342 2.1342 2.8077 2.8077 3.7699 3.7699 4.1682 4.1682 4.2651 4.2651 4.4567 4.4567 4.5726 4.5726 4.7764 4.7764 4.9356 4.9356 5.0763 5.0763 5.1790 5.1790 5.6547 5.6547 6.2462 6.2462 6.3635 6.3635 6.6467 6.6467 11.8064 11.8064 14.0401 14.0401 15.0396 15.0396 15.6889 15.6889 16.5192 16.5192 k = 0.0806-0.1535 0.0795 ( 3414 PWs) bands (ev): -12.1894 -12.1894 -10.6494 -10.6494 -10.5723 -10.5723 -10.4492 -10.4492 -10.1655 -10.1655 -10.0777 -10.0777 0.1860 0.1860 1.0157 1.0157 1.7458 1.7458 2.1415 2.1415 2.8100 2.8100 3.8060 3.8060 4.1821 4.1821 4.2632 4.2632 4.4920 4.4920 4.5752 4.5752 4.7818 4.7818 4.9598 4.9598 5.0768 5.0768 5.2009 5.2009 5.7025 5.7025 6.2583 6.2583 6.3632 6.3632 6.6549 6.6549 11.7410 11.7410 14.0189 14.0189 14.9970 14.9970 15.6376 15.6376 16.5082 16.5082 k = 0.0726-0.1381 0.0716 ( 3414 PWs) bands (ev): -12.2027 -12.2027 -10.6524 -10.6524 -10.5691 -10.5691 -10.4535 -10.4535 -10.1695 -10.1695 -10.0873 -10.0873 0.1666 0.1666 1.0054 1.0054 1.7647 1.7647 2.1472 2.1472 2.8129 2.8129 3.8405 3.8405 4.1898 4.1898 4.2641 4.2641 4.5239 4.5239 4.5797 4.5797 4.7848 4.7848 4.9821 4.9821 5.0767 5.0767 5.2226 5.2226 5.7480 5.7480 6.2694 6.2694 6.3623 6.3623 6.6628 6.6628 11.6801 11.6801 13.9991 13.9991 14.9575 14.9575 15.5906 15.5906 16.4991 16.4991 k = 0.0645-0.1228 0.0636 ( 3411 PWs) bands (ev): -12.2147 -12.2147 -10.6553 -10.6553 -10.5654 -10.5654 -10.4579 -10.4579 -10.1729 -10.1729 -10.0963 -10.0963 0.1491 0.1491 0.9961 0.9961 1.7820 1.7820 2.1515 2.1515 2.8161 2.8161 3.8732 3.8732 4.1905 4.1905 4.2688 4.2688 4.5489 4.5489 4.5892 4.5892 4.7858 4.7858 5.0023 5.0023 5.0763 5.0763 5.2433 5.2433 5.7904 5.7904 6.2794 6.2794 6.3611 6.3611 6.6705 6.6705 11.6241 11.6241 13.9811 13.9811 14.9215 14.9215 15.5481 15.5481 16.4921 16.4921 k = 0.0565-0.1074 0.0557 ( 3409 PWs) bands (ev): -12.2252 -12.2252 -10.6581 -10.6581 -10.5612 -10.5612 -10.4624 -10.4624 -10.1758 -10.1758 -10.1046 -10.1046 0.1336 0.1336 0.9878 0.9878 1.7978 1.7978 2.1545 2.1545 2.8196 2.8196 3.9041 3.9041 4.1856 4.1856 4.2762 4.2762 4.5628 4.5628 4.6077 4.6077 4.7851 4.7851 5.0202 5.0202 5.0756 5.0756 5.2626 5.2626 5.8292 5.8292 6.2883 6.2883 6.3595 6.3595 6.6778 6.6778 11.5734 11.5734 13.9648 13.9648 14.8892 14.8892 15.5102 15.5102 16.4870 16.4870 k = 0.0484-0.0921 0.0477 ( 3407 PWs) bands (ev): -12.2344 -12.2344 -10.6606 -10.6606 -10.5568 -10.5568 -10.4670 -10.4670 -10.1781 -10.1781 -10.1121 -10.1121 0.1200 0.1200 0.9805 0.9805 1.8117 1.8117 2.1565 2.1565 2.8231 2.8231 3.9331 3.9331 4.1771 4.1771 4.2845 4.2845 4.5693 4.5693 4.6312 4.6312 4.7831 4.7831 5.0357 5.0357 5.0748 5.0748 5.2801 5.2801 5.8639 5.8639 6.2961 6.2961 6.3578 6.3578 6.6846 6.6846 11.5285 11.5285 13.9505 13.9505 14.8607 14.8607 15.4771 15.4771 16.4839 16.4839 k = 0.0403-0.0767 0.0398 ( 3407 PWs) bands (ev): -12.2421 -12.2421 -10.6627 -10.6627 -10.5522 -10.5522 -10.4715 -10.4715 -10.1799 -10.1799 -10.1187 -10.1187 0.1085 0.1085 0.9744 0.9744 1.8238 1.8238 2.1577 2.1577 2.8264 2.8264 3.9601 3.9601 4.1664 4.1664 4.2924 4.2924 4.5733 4.5733 4.6546 4.6546 4.7797 4.7797 5.0486 5.0486 5.0742 5.0742 5.2954 5.2954 5.8939 5.8939 6.3027 6.3027 6.3561 6.3561 6.6907 6.6907 11.4897 11.4897 13.9382 13.9382 14.8364 14.8364 15.4488 15.4488 16.4824 16.4824 k = 0.0323-0.0614 0.0318 ( 3405 PWs) bands (ev): -12.2485 -12.2485 -10.6645 -10.6645 -10.5478 -10.5478 -10.4759 -10.4759 -10.1812 -10.1812 -10.1244 -10.1244 0.0991 0.0991 0.9693 0.9693 1.8339 1.8339 2.1584 2.1584 2.8293 2.8293 3.9850 3.9850 4.1544 4.1544 4.2991 4.2991 4.5762 4.5762 4.6762 4.6762 4.7753 4.7753 5.0582 5.0582 5.0746 5.0746 5.3082 5.3082 5.9191 5.9191 6.3083 6.3083 6.3544 6.3544 6.6960 6.6960 11.4574 11.4574 13.9280 13.9280 14.8162 14.8162 15.4256 15.4256 16.4823 16.4823 k = 0.0242-0.0460 0.0239 ( 3406 PWs) bands (ev): -12.2535 -12.2535 -10.6660 -10.6660 -10.5436 -10.5436 -10.4799 -10.4799 -10.1821 -10.1821 -10.1289 -10.1289 0.0917 0.0917 0.9653 0.9653 1.8419 1.8419 2.1586 2.1586 2.8318 2.8318 4.0075 4.0075 4.1417 4.1417 4.3045 4.3045 4.5785 4.5785 4.6954 4.6954 4.7697 4.7697 5.0634 5.0634 5.0770 5.0770 5.3184 5.3184 5.9389 5.9389 6.3126 6.3126 6.3529 6.3529 6.7003 6.7003 11.4320 11.4320 13.9199 13.9199 14.8004 14.8004 15.4074 15.4074 16.4832 16.4832 k = 0.0161-0.0307 0.0159 ( 3406 PWs) bands (ev): -12.2570 -12.2570 -10.6670 -10.6670 -10.5402 -10.5402 -10.4833 -10.4833 -10.1827 -10.1827 -10.1323 -10.1323 0.0864 0.0864 0.9625 0.9625 1.8477 1.8477 2.1587 2.1587 2.8336 2.8336 4.0268 4.0268 4.1293 4.1293 4.3084 4.3084 4.5802 4.5802 4.7118 4.7118 4.7632 4.7632 5.0651 5.0651 5.0807 5.0807 5.3258 5.3258 5.9532 5.9532 6.3157 6.3157 6.3517 6.3517 6.7035 6.7035 11.4136 11.4136 13.9142 13.9142 14.7890 14.7890 15.3943 15.3943 16.4844 16.4844 k = 0.0081-0.0153 0.0080 ( 3407 PWs) bands (ev): -12.2591 -12.2591 -10.6677 -10.6677 -10.5379 -10.5379 -10.4855 -10.4855 -10.1829 -10.1829 -10.1344 -10.1344 0.0833 0.0833 0.9608 0.9608 1.8513 1.8513 2.1586 2.1586 2.8348 2.8348 4.0413 4.0413 4.1190 4.1190 4.3107 4.3107 4.5812 4.5812 4.7247 4.7247 4.7562 4.7562 5.0654 5.0654 5.0836 5.0836 5.3303 5.3303 5.9619 5.9619 6.3177 6.3177 6.3510 6.3510 6.7054 6.7054 11.4025 11.4025 13.9107 13.9107 14.7821 14.7821 15.3865 15.3865 16.4854 16.4854 k = 0.0000 0.0000 0.0000 ( 3407 PWs) bands (ev): -12.2599 -12.2599 -10.6679 -10.6679 -10.5370 -10.5370 -10.4863 -10.4863 -10.1830 -10.1830 -10.1351 -10.1351 0.0822 0.0822 0.9602 0.9602 1.8524 1.8524 2.1586 2.1586 2.8351 2.8351 4.0470 4.0470 4.1145 4.1145 4.3115 4.3115 4.5816 4.5816 4.7307 4.7307 4.7522 4.7522 5.0654 5.0654 5.0846 5.0846 5.3318 5.3318 5.9648 5.9648 6.3183 6.3183 6.3507 6.3507 6.7061 6.7061 11.3988 11.3988 13.9095 13.9095 14.7798 14.7798 15.3839 15.3839 16.4858 16.4858 Writing output data file Al2O3.save init_run : 1.60s CPU 11.35s WALL ( 1 calls) electrons : 1169.15s CPU 1180.95s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.43s CPU 1.64s WALL ( 1 calls) Called by electrons: c_bands : 1169.10s CPU 1180.62s WALL ( 1 calls) v_of_rho : 0.23s CPU 0.96s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.22s CPU 0.64s WALL ( 1 calls) newd : 0.33s CPU 0.40s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.11s WALL ( 428 calls) cegterg : 1121.94s CPU 1130.21s WALL ( 1145 calls) Called by sum_band: Called by *egterg: h_psi : 414.57s CPU 426.55s WALL ( 20472 calls) s_psi : 28.80s CPU 30.03s WALL ( 20472 calls) g_psi : 0.94s CPU 0.97s WALL ( 18899 calls) cdiaghg : 526.15s CPU 522.49s WALL ( 19327 calls) cegterg:over : 91.34s CPU 86.05s WALL ( 18899 calls) cegterg:upda : 20.35s CPU 26.06s WALL ( 18899 calls) cegterg:last : 15.90s CPU 16.92s WALL ( 2949 calls) Called by h_psi: h_psi:vloc : 330.84s CPU 341.23s WALL ( 20472 calls) h_psi:vnl : 83.31s CPU 84.22s WALL ( 20472 calls) add_vuspsi : 21.35s CPU 27.40s WALL ( 20472 calls) General routines calbec : 61.92s CPU 56.62s WALL ( 20472 calls) fft : 0.39s CPU 1.65s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 300.04s CPU 308.91s WALL ( 2017512 calls) interpolate : 0.09s CPU 0.11s WALL ( 4 calls) davcio : 0.07s CPU 1.60s WALL ( 856 calls) Parallel routines fft_scatter : 157.58s CPU 163.62s WALL ( 2017535 calls) PWSCF : 20m33.64s CPU 22m 5.18s WALL This run was terminated on: 23:41: 1 31May2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=