Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:43:54 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Al2O3.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 43 25 7 1725 750 123 Max 44 26 8 1733 779 130 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: /users/gautes/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: /users/gautes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e 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, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) 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 and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 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 0.5683048 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 0.4771758 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 0.4178330 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 0.5082106), 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 0.4495582 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 0.3119898 -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 0.4274193), 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 0.2741935), 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 0.1774193), 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 0.0725806), 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 0.0241935), 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 0.17 Mb ( 190, 58) NL pseudopotentials 0.32 Mb ( 95, 220) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1726) G-vector shells 0.01 Mb ( 1679) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.67 Mb ( 190, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.39 Mb ( 220, 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 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.6 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 5.0 secs Computing kpt #: 5 total cpu time spent up to now is 5.7 secs Computing kpt #: 6 total cpu time spent up to now is 6.3 secs Computing kpt #: 7 total cpu time spent up to now is 7.0 secs Computing kpt #: 8 total cpu time spent up to now is 7.7 secs Computing kpt #: 9 total cpu time spent up to now is 8.5 secs Computing kpt #: 10 total cpu time spent up to now is 9.3 secs Computing kpt #: 11 total cpu time spent up to now is 10.1 secs Computing kpt #: 12 total cpu time spent up to now is 10.9 secs Computing kpt #: 13 total cpu time spent up to now is 11.6 secs Computing kpt #: 14 total cpu time spent up to now is 12.3 secs Computing kpt #: 15 total cpu time spent up to now is 13.0 secs Computing kpt #: 16 total cpu time spent up to now is 13.7 secs Computing kpt #: 17 total cpu time spent up to now is 14.4 secs Computing kpt #: 18 total cpu time spent up to now is 15.1 secs Computing kpt #: 19 total cpu time spent up to now is 15.8 secs Computing kpt #: 20 total cpu time spent up to now is 16.4 secs Computing kpt #: 21 total cpu time spent up to now is 17.1 secs Computing kpt #: 22 total cpu time spent up to now is 17.8 secs Computing kpt #: 23 total cpu time spent up to now is 18.5 secs Computing kpt #: 24 total cpu time spent up to now is 19.2 secs Computing kpt #: 25 total cpu time spent up to now is 19.9 secs Computing kpt #: 26 total cpu time spent up to now is 20.7 secs Computing kpt #: 27 total cpu time spent up to now is 21.4 secs Computing kpt #: 28 total cpu time spent up to now is 22.2 secs Computing kpt #: 29 total cpu time spent up to now is 23.0 secs Computing kpt #: 30 total cpu time spent up to now is 23.8 secs Computing kpt #: 31 total cpu time spent up to now is 24.5 secs Computing kpt #: 32 total cpu time spent up to now is 25.2 secs Computing kpt #: 33 total cpu time spent up to now is 25.8 secs Computing kpt #: 34 total cpu time spent up to now is 26.5 secs Computing kpt #: 35 total cpu time spent up to now is 27.2 secs Computing kpt #: 36 total cpu time spent up to now is 27.9 secs Computing kpt #: 37 total cpu time spent up to now is 28.5 secs Computing kpt #: 38 total cpu time spent up to now is 29.2 secs Computing kpt #: 39 total cpu time spent up to now is 29.9 secs Computing kpt #: 40 total cpu time spent up to now is 30.5 secs Computing kpt #: 41 total cpu time spent up to now is 31.2 secs Computing kpt #: 42 total cpu time spent up to now is 31.8 secs Computing kpt #: 43 total cpu time spent up to now is 32.5 secs Computing kpt #: 44 total cpu time spent up to now is 33.1 secs Computing kpt #: 45 total cpu time spent up to now is 33.8 secs Computing kpt #: 46 total cpu time spent up to now is 34.4 secs Computing kpt #: 47 total cpu time spent up to now is 35.2 secs Computing kpt #: 48 total cpu time spent up to now is 36.4 secs Computing kpt #: 49 total cpu time spent up to now is 37.0 secs Computing kpt #: 50 total cpu time spent up to now is 37.7 secs Computing kpt #: 51 total cpu time spent up to now is 38.4 secs Computing kpt #: 52 total cpu time spent up to now is 39.2 secs Computing kpt #: 53 total cpu time spent up to now is 39.9 secs Computing kpt #: 54 total cpu time spent up to now is 40.7 secs Computing kpt #: 55 total cpu time spent up to now is 41.5 secs Computing kpt #: 56 total cpu time spent up to now is 42.3 secs Computing kpt #: 57 total cpu time spent up to now is 43.0 secs Computing kpt #: 58 total cpu time spent up to now is 43.8 secs Computing kpt #: 59 total cpu time spent up to now is 44.6 secs Computing kpt #: 60 total cpu time spent up to now is 45.4 secs Computing kpt #: 61 total cpu time spent up to now is 46.1 secs Computing kpt #: 62 total cpu time spent up to now is 46.9 secs Computing kpt #: 63 total cpu time spent up to now is 47.7 secs Computing kpt #: 64 total cpu time spent up to now is 48.5 secs Computing kpt #: 65 total cpu time spent up to now is 49.3 secs Computing kpt #: 66 total cpu time spent up to now is 50.0 secs Computing kpt #: 67 total cpu time spent up to now is 50.8 secs Computing kpt #: 68 total cpu time spent up to now is 51.6 secs Computing kpt #: 69 total cpu time spent up to now is 52.4 secs Computing kpt #: 70 total cpu time spent up to now is 53.2 secs Computing kpt #: 71 total cpu time spent up to now is 54.0 secs Computing kpt #: 72 total cpu time spent up to now is 54.8 secs Computing kpt #: 73 total cpu time spent up to now is 55.6 secs Computing kpt #: 74 total cpu time spent up to now is 56.4 secs Computing kpt #: 75 total cpu time spent up to now is 57.1 secs Computing kpt #: 76 total cpu time spent up to now is 57.9 secs Computing kpt #: 77 total cpu time spent up to now is 58.7 secs Computing kpt #: 78 total cpu time spent up to now is 59.5 secs Computing kpt #: 79 total cpu time spent up to now is 60.3 secs Computing kpt #: 80 total cpu time spent up to now is 61.1 secs Computing kpt #: 81 total cpu time spent up to now is 61.9 secs Computing kpt #: 82 total cpu time spent up to now is 62.7 secs Computing kpt #: 83 total cpu time spent up to now is 63.4 secs Computing kpt #: 84 total cpu time spent up to now is 64.2 secs Computing kpt #: 85 total cpu time spent up to now is 64.9 secs Computing kpt #: 86 total cpu time spent up to now is 65.7 secs Computing kpt #: 87 total cpu time spent up to now is 66.5 secs Computing kpt #: 88 total cpu time spent up to now is 67.2 secs Computing kpt #: 89 total cpu time spent up to now is 68.0 secs Computing kpt #: 90 total cpu time spent up to now is 68.8 secs Computing kpt #: 91 total cpu time spent up to now is 69.6 secs Computing kpt #: 92 total cpu time spent up to now is 70.4 secs Computing kpt #: 93 total cpu time spent up to now is 71.2 secs Computing kpt #: 94 total cpu time spent up to now is 72.0 secs Computing kpt #: 95 total cpu time spent up to now is 72.8 secs Computing kpt #: 96 total cpu time spent up to now is 73.6 secs Computing kpt #: 97 total cpu time spent up to now is 74.4 secs Computing kpt #: 98 total cpu time spent up to now is 75.2 secs Computing kpt #: 99 total cpu time spent up to now is 76.0 secs Computing kpt #: 100 total cpu time spent up to now is 76.8 secs Computing kpt #: 101 total cpu time spent up to now is 77.6 secs Computing kpt #: 102 total cpu time spent up to now is 78.5 secs Computing kpt #: 103 total cpu time spent up to now is 79.3 secs Computing kpt #: 104 total cpu time spent up to now is 80.1 secs Computing kpt #: 105 total cpu time spent up to now is 80.9 secs Computing kpt #: 106 total cpu time spent up to now is 81.7 secs Computing kpt #: 107 total cpu time spent up to now is 82.5 secs Computing kpt #: 108 total cpu time spent up to now is 83.3 secs Computing kpt #: 109 total cpu time spent up to now is 84.1 secs Computing kpt #: 110 total cpu time spent up to now is 84.9 secs Computing kpt #: 111 total cpu time spent up to now is 85.7 secs Computing kpt #: 112 total cpu time spent up to now is 86.5 secs Computing kpt #: 113 total cpu time spent up to now is 87.2 secs Computing kpt #: 114 total cpu time spent up to now is 88.0 secs Computing kpt #: 115 total cpu time spent up to now is 88.7 secs Computing kpt #: 116 total cpu time spent up to now is 89.4 secs Computing kpt #: 117 total cpu time spent up to now is 90.1 secs Computing kpt #: 118 total cpu time spent up to now is 90.8 secs Computing kpt #: 119 total cpu time spent up to now is 91.5 secs Computing kpt #: 120 total cpu time spent up to now is 92.2 secs Computing kpt #: 121 total cpu time spent up to now is 92.9 secs Computing kpt #: 122 total cpu time spent up to now is 93.6 secs Computing kpt #: 123 total cpu time spent up to now is 94.3 secs Computing kpt #: 124 total cpu time spent up to now is 95.1 secs Computing kpt #: 125 total cpu time spent up to now is 96.0 secs Computing kpt #: 126 total cpu time spent up to now is 97.0 secs Computing kpt #: 127 total cpu time spent up to now is 97.9 secs Computing kpt #: 128 total cpu time spent up to now is 98.8 secs Computing kpt #: 129 total cpu time spent up to now is 99.7 secs Computing kpt #: 130 total cpu time spent up to now is 100.6 secs Computing kpt #: 131 total cpu time spent up to now is 101.4 secs Computing kpt #: 132 total cpu time spent up to now is 102.2 secs Computing kpt #: 133 total cpu time spent up to now is 103.1 secs Computing kpt #: 134 total cpu time spent up to now is 103.9 secs Computing kpt #: 135 total cpu time spent up to now is 104.7 secs Computing kpt #: 136 total cpu time spent up to now is 106.3 secs Computing kpt #: 137 total cpu time spent up to now is 107.1 secs Computing kpt #: 138 total cpu time spent up to now is 108.0 secs Computing kpt #: 139 total cpu time spent up to now is 108.8 secs Computing kpt #: 140 total cpu time spent up to now is 109.6 secs Computing kpt #: 141 total cpu time spent up to now is 110.5 secs Computing kpt #: 142 total cpu time spent up to now is 111.3 secs Computing kpt #: 143 total cpu time spent up to now is 112.2 secs Computing kpt #: 144 total cpu time spent up to now is 113.0 secs Computing kpt #: 145 total cpu time spent up to now is 113.8 secs Computing kpt #: 146 total cpu time spent up to now is 114.7 secs Computing kpt #: 147 total cpu time spent up to now is 115.6 secs Computing kpt #: 148 total cpu time spent up to now is 116.5 secs Computing kpt #: 149 total cpu time spent up to now is 117.3 secs Computing kpt #: 150 total cpu time spent up to now is 118.0 secs Computing kpt #: 151 total cpu time spent up to now is 118.8 secs Computing kpt #: 152 total cpu time spent up to now is 119.5 secs Computing kpt #: 153 total cpu time spent up to now is 120.2 secs Computing kpt #: 154 total cpu time spent up to now is 120.9 secs Computing kpt #: 155 total cpu time spent up to now is 121.6 secs Computing kpt #: 156 total cpu time spent up to now is 122.3 secs Computing kpt #: 157 total cpu time spent up to now is 122.9 secs Computing kpt #: 158 total cpu time spent up to now is 123.6 secs Computing kpt #: 159 total cpu time spent up to now is 124.3 secs Computing kpt #: 160 total cpu time spent up to now is 125.0 secs Computing kpt #: 161 total cpu time spent up to now is 125.6 secs Computing kpt #: 162 total cpu time spent up to now is 126.3 secs Computing kpt #: 163 total cpu time spent up to now is 127.0 secs Computing kpt #: 164 total cpu time spent up to now is 127.6 secs Computing kpt #: 165 total cpu time spent up to now is 128.3 secs Computing kpt #: 166 total cpu time spent up to now is 129.0 secs Computing kpt #: 167 total cpu time spent up to now is 129.7 secs Computing kpt #: 168 total cpu time spent up to now is 130.3 secs Computing kpt #: 169 total cpu time spent up to now is 131.0 secs Computing kpt #: 170 total cpu time spent up to now is 131.7 secs Computing kpt #: 171 total cpu time spent up to now is 132.3 secs Computing kpt #: 172 total cpu time spent up to now is 133.0 secs Computing kpt #: 173 total cpu time spent up to now is 133.7 secs Computing kpt #: 174 total cpu time spent up to now is 134.4 secs Computing kpt #: 175 total cpu time spent up to now is 135.1 secs Computing kpt #: 176 total cpu time spent up to now is 135.8 secs Computing kpt #: 177 total cpu time spent up to now is 136.5 secs Computing kpt #: 178 total cpu time spent up to now is 137.2 secs Computing kpt #: 179 total cpu time spent up to now is 137.8 secs Computing kpt #: 180 total cpu time spent up to now is 138.5 secs Computing kpt #: 181 total cpu time spent up to now is 139.2 secs Computing kpt #: 182 total cpu time spent up to now is 139.8 secs Computing kpt #: 183 total cpu time spent up to now is 140.5 secs Computing kpt #: 184 total cpu time spent up to now is 141.2 secs Computing kpt #: 185 total cpu time spent up to now is 141.8 secs Computing kpt #: 186 total cpu time spent up to now is 142.5 secs Computing kpt #: 187 total cpu time spent up to now is 143.2 secs Computing kpt #: 188 total cpu time spent up to now is 143.9 secs Computing kpt #: 189 total cpu time spent up to now is 144.7 secs Computing kpt #: 190 total cpu time spent up to now is 145.4 secs Computing kpt #: 191 total cpu time spent up to now is 146.2 secs Computing kpt #: 192 total cpu time spent up to now is 147.0 secs Computing kpt #: 193 total cpu time spent up to now is 147.8 secs Computing kpt #: 194 total cpu time spent up to now is 148.5 secs Computing kpt #: 195 total cpu time spent up to now is 149.3 secs Computing kpt #: 196 total cpu time spent up to now is 150.1 secs Computing kpt #: 197 total cpu time spent up to now is 150.9 secs Computing kpt #: 198 total cpu time spent up to now is 151.7 secs Computing kpt #: 199 total cpu time spent up to now is 152.4 secs Computing kpt #: 200 total cpu time spent up to now is 153.2 secs Computing kpt #: 201 total cpu time spent up to now is 154.0 secs Computing kpt #: 202 total cpu time spent up to now is 154.8 secs Computing kpt #: 203 total cpu time spent up to now is 155.5 secs Computing kpt #: 204 total cpu time spent up to now is 156.3 secs Computing kpt #: 205 total cpu time spent up to now is 157.1 secs Computing kpt #: 206 total cpu time spent up to now is 157.9 secs Computing kpt #: 207 total cpu time spent up to now is 158.7 secs Computing kpt #: 208 total cpu time spent up to now is 159.5 secs Computing kpt #: 209 total cpu time spent up to now is 160.3 secs Computing kpt #: 210 total cpu time spent up to now is 161.0 secs Computing kpt #: 211 total cpu time spent up to now is 161.8 secs Computing kpt #: 212 total cpu time spent up to now is 162.6 secs Computing kpt #: 213 total cpu time spent up to now is 163.4 secs Computing kpt #: 214 total cpu time spent up to now is 164.2 secs Computing kpt #: 215 total cpu time spent up to now is 164.9 secs Computing kpt #: 216 total cpu time spent up to now is 165.6 secs Computing kpt #: 217 total cpu time spent up to now is 166.3 secs Computing kpt #: 218 total cpu time spent up to now is 166.9 secs Computing kpt #: 219 total cpu time spent up to now is 167.6 secs Computing kpt #: 220 total cpu time spent up to now is 168.3 secs Computing kpt #: 221 total cpu time spent up to now is 168.9 secs Computing kpt #: 222 total cpu time spent up to now is 169.6 secs Computing kpt #: 223 total cpu time spent up to now is 170.3 secs Computing kpt #: 224 total cpu time spent up to now is 171.0 secs Computing kpt #: 225 total cpu time spent up to now is 171.7 secs Computing kpt #: 226 total cpu time spent up to now is 172.3 secs Computing kpt #: 227 total cpu time spent up to now is 173.0 secs Computing kpt #: 228 total cpu time spent up to now is 173.7 secs Computing kpt #: 229 total cpu time spent up to now is 174.4 secs Computing kpt #: 230 total cpu time spent up to now is 175.1 secs Computing kpt #: 231 total cpu time spent up to now is 175.9 secs Computing kpt #: 232 total cpu time spent up to now is 176.6 secs Computing kpt #: 233 total cpu time spent up to now is 177.3 secs Computing kpt #: 234 total cpu time spent up to now is 178.1 secs Computing kpt #: 235 total cpu time spent up to now is 178.9 secs Computing kpt #: 236 total cpu time spent up to now is 179.7 secs Computing kpt #: 237 total cpu time spent up to now is 180.5 secs Computing kpt #: 238 total cpu time spent up to now is 181.3 secs Computing kpt #: 239 total cpu time spent up to now is 182.1 secs Computing kpt #: 240 total cpu time spent up to now is 182.9 secs Computing kpt #: 241 total cpu time spent up to now is 183.6 secs Computing kpt #: 242 total cpu time spent up to now is 184.3 secs Computing kpt #: 243 total cpu time spent up to now is 185.0 secs Computing kpt #: 244 total cpu time spent up to now is 185.6 secs Computing kpt #: 245 total cpu time spent up to now is 186.3 secs Computing kpt #: 246 total cpu time spent up to now is 187.0 secs Computing kpt #: 247 total cpu time spent up to now is 187.7 secs Computing kpt #: 248 total cpu time spent up to now is 188.3 secs Computing kpt #: 249 total cpu time spent up to now is 189.0 secs Computing kpt #: 250 total cpu time spent up to now is 189.7 secs Computing kpt #: 251 total cpu time spent up to now is 190.4 secs Computing kpt #: 252 total cpu time spent up to now is 191.0 secs Computing kpt #: 253 total cpu time spent up to now is 191.7 secs Computing kpt #: 254 total cpu time spent up to now is 192.3 secs Computing kpt #: 255 total cpu time spent up to now is 193.0 secs Computing kpt #: 256 total cpu time spent up to now is 193.7 secs Computing kpt #: 257 total cpu time spent up to now is 194.4 secs Computing kpt #: 258 total cpu time spent up to now is 195.0 secs Computing kpt #: 259 total cpu time spent up to now is 195.7 secs Computing kpt #: 260 total cpu time spent up to now is 196.4 secs Computing kpt #: 261 total cpu time spent up to now is 197.1 secs Computing kpt #: 262 total cpu time spent up to now is 197.8 secs Computing kpt #: 263 total cpu time spent up to now is 198.5 secs Computing kpt #: 264 total cpu time spent up to now is 199.2 secs Computing kpt #: 265 total cpu time spent up to now is 199.9 secs Computing kpt #: 266 total cpu time spent up to now is 200.6 secs Computing kpt #: 267 total cpu time spent up to now is 201.4 secs Computing kpt #: 268 total cpu time spent up to now is 202.1 secs Computing kpt #: 269 total cpu time spent up to now is 202.9 secs Computing kpt #: 270 total cpu time spent up to now is 203.7 secs Computing kpt #: 271 total cpu time spent up to now is 204.5 secs Computing kpt #: 272 total cpu time spent up to now is 205.5 secs Computing kpt #: 273 total cpu time spent up to now is 206.3 secs Computing kpt #: 274 total cpu time spent up to now is 207.0 secs Computing kpt #: 275 total cpu time spent up to now is 207.7 secs Computing kpt #: 276 total cpu time spent up to now is 208.4 secs Computing kpt #: 277 total cpu time spent up to now is 209.1 secs Computing kpt #: 278 total cpu time spent up to now is 209.8 secs Computing kpt #: 279 total cpu time spent up to now is 210.5 secs Computing kpt #: 280 total cpu time spent up to now is 211.2 secs Computing kpt #: 281 total cpu time spent up to now is 212.0 secs Computing kpt #: 282 total cpu time spent up to now is 212.8 secs Computing kpt #: 283 total cpu time spent up to now is 213.6 secs Computing kpt #: 284 total cpu time spent up to now is 214.4 secs Computing kpt #: 285 total cpu time spent up to now is 215.2 secs Computing kpt #: 286 total cpu time spent up to now is 216.0 secs Computing kpt #: 287 total cpu time spent up to now is 216.8 secs Computing kpt #: 288 total cpu time spent up to now is 217.6 secs Computing kpt #: 289 total cpu time spent up to now is 218.3 secs Computing kpt #: 290 total cpu time spent up to now is 218.9 secs Computing kpt #: 291 total cpu time spent up to now is 219.6 secs Computing kpt #: 292 total cpu time spent up to now is 220.3 secs Computing kpt #: 293 total cpu time spent up to now is 221.0 secs Computing kpt #: 294 total cpu time spent up to now is 221.7 secs Computing kpt #: 295 total cpu time spent up to now is 222.4 secs Computing kpt #: 296 total cpu time spent up to now is 223.1 secs Computing kpt #: 297 total cpu time spent up to now is 223.7 secs Computing kpt #: 298 total cpu time spent up to now is 224.4 secs Computing kpt #: 299 total cpu time spent up to now is 225.0 secs Computing kpt #: 300 total cpu time spent up to now is 225.7 secs Computing kpt #: 301 total cpu time spent up to now is 226.4 secs Computing kpt #: 302 total cpu time spent up to now is 227.1 secs Computing kpt #: 303 total cpu time spent up to now is 227.8 secs Computing kpt #: 304 total cpu time spent up to now is 228.4 secs Computing kpt #: 305 total cpu time spent up to now is 229.1 secs Computing kpt #: 306 total cpu time spent up to now is 229.8 secs Computing kpt #: 307 total cpu time spent up to now is 230.4 secs Computing kpt #: 308 total cpu time spent up to now is 231.1 secs Computing kpt #: 309 total cpu time spent up to now is 231.8 secs Computing kpt #: 310 total cpu time spent up to now is 232.4 secs Computing kpt #: 311 total cpu time spent up to now is 233.1 secs Computing kpt #: 312 total cpu time spent up to now is 233.8 secs Computing kpt #: 313 total cpu time spent up to now is 234.5 secs Computing kpt #: 314 total cpu time spent up to now is 235.1 secs Computing kpt #: 315 total cpu time spent up to now is 235.8 secs Computing kpt #: 316 total cpu time spent up to now is 236.5 secs Computing kpt #: 317 total cpu time spent up to now is 237.2 secs Computing kpt #: 318 total cpu time spent up to now is 237.9 secs Computing kpt #: 319 total cpu time spent up to now is 238.7 secs Computing kpt #: 320 total cpu time spent up to now is 239.5 secs Computing kpt #: 321 total cpu time spent up to now is 240.3 secs Computing kpt #: 322 total cpu time spent up to now is 241.1 secs Computing kpt #: 323 total cpu time spent up to now is 241.8 secs Computing kpt #: 324 total cpu time spent up to now is 242.6 secs Computing kpt #: 325 total cpu time spent up to now is 243.3 secs Computing kpt #: 326 total cpu time spent up to now is 244.0 secs Computing kpt #: 327 total cpu time spent up to now is 244.7 secs Computing kpt #: 328 total cpu time spent up to now is 245.4 secs Computing kpt #: 329 total cpu time spent up to now is 246.2 secs Computing kpt #: 330 total cpu time spent up to now is 247.0 secs Computing kpt #: 331 total cpu time spent up to now is 247.8 secs Computing kpt #: 332 total cpu time spent up to now is 248.6 secs Computing kpt #: 333 total cpu time spent up to now is 249.4 secs Computing kpt #: 334 total cpu time spent up to now is 250.2 secs Computing kpt #: 335 total cpu time spent up to now is 251.0 secs Computing kpt #: 336 total cpu time spent up to now is 251.8 secs Computing kpt #: 337 total cpu time spent up to now is 252.6 secs Computing kpt #: 338 total cpu time spent up to now is 253.4 secs Computing kpt #: 339 total cpu time spent up to now is 254.2 secs Computing kpt #: 340 total cpu time spent up to now is 255.0 secs Computing kpt #: 341 total cpu time spent up to now is 255.8 secs Computing kpt #: 342 total cpu time spent up to now is 256.6 secs Computing kpt #: 343 total cpu time spent up to now is 257.4 secs Computing kpt #: 344 total cpu time spent up to now is 258.2 secs Computing kpt #: 345 total cpu time spent up to now is 259.0 secs Computing kpt #: 346 total cpu time spent up to now is 259.8 secs Computing kpt #: 347 total cpu time spent up to now is 260.6 secs Computing kpt #: 348 total cpu time spent up to now is 261.4 secs Computing kpt #: 349 total cpu time spent up to now is 262.2 secs Computing kpt #: 350 total cpu time spent up to now is 263.0 secs Computing kpt #: 351 total cpu time spent up to now is 263.7 secs Computing kpt #: 352 total cpu time spent up to now is 264.4 secs Computing kpt #: 353 total cpu time spent up to now is 265.1 secs Computing kpt #: 354 total cpu time spent up to now is 265.9 secs Computing kpt #: 355 total cpu time spent up to now is 266.6 secs Computing kpt #: 356 total cpu time spent up to now is 267.3 secs Computing kpt #: 357 total cpu time spent up to now is 268.0 secs Computing kpt #: 358 total cpu time spent up to now is 268.8 secs Computing kpt #: 359 total cpu time spent up to now is 269.5 secs Computing kpt #: 360 total cpu time spent up to now is 270.2 secs Computing kpt #: 361 total cpu time spent up to now is 270.9 secs Computing kpt #: 362 total cpu time spent up to now is 271.7 secs Computing kpt #: 363 total cpu time spent up to now is 272.4 secs Computing kpt #: 364 total cpu time spent up to now is 273.2 secs Computing kpt #: 365 total cpu time spent up to now is 273.9 secs Computing kpt #: 366 total cpu time spent up to now is 274.6 secs Computing kpt #: 367 total cpu time spent up to now is 275.5 secs Computing kpt #: 368 total cpu time spent up to now is 276.4 secs Computing kpt #: 369 total cpu time spent up to now is 277.2 secs Computing kpt #: 370 total cpu time spent up to now is 278.0 secs Computing kpt #: 371 total cpu time spent up to now is 278.8 secs Computing kpt #: 372 total cpu time spent up to now is 279.7 secs Computing kpt #: 373 total cpu time spent up to now is 282.6 secs Computing kpt #: 374 total cpu time spent up to now is 283.4 secs Computing kpt #: 375 total cpu time spent up to now is 284.3 secs Computing kpt #: 376 total cpu time spent up to now is 285.1 secs Computing kpt #: 377 total cpu time spent up to now is 285.9 secs Computing kpt #: 378 total cpu time spent up to now is 286.8 secs Computing kpt #: 379 total cpu time spent up to now is 287.6 secs Computing kpt #: 380 total cpu time spent up to now is 288.4 secs Computing kpt #: 381 total cpu time spent up to now is 289.2 secs Computing kpt #: 382 total cpu time spent up to now is 290.0 secs Computing kpt #: 383 total cpu time spent up to now is 290.7 secs Computing kpt #: 384 total cpu time spent up to now is 291.4 secs Computing kpt #: 385 total cpu time spent up to now is 292.1 secs Computing kpt #: 386 total cpu time spent up to now is 292.8 secs Computing kpt #: 387 total cpu time spent up to now is 293.5 secs Computing kpt #: 388 total cpu time spent up to now is 294.2 secs Computing kpt #: 389 total cpu time spent up to now is 294.9 secs Computing kpt #: 390 total cpu time spent up to now is 295.6 secs Computing kpt #: 391 total cpu time spent up to now is 296.4 secs Computing kpt #: 392 total cpu time spent up to now is 297.2 secs Computing kpt #: 393 total cpu time spent up to now is 297.9 secs Computing kpt #: 394 total cpu time spent up to now is 298.6 secs Computing kpt #: 395 total cpu time spent up to now is 299.3 secs Computing kpt #: 396 total cpu time spent up to now is 300.0 secs Computing kpt #: 397 total cpu time spent up to now is 300.7 secs Computing kpt #: 398 total cpu time spent up to now is 301.5 secs Computing kpt #: 399 total cpu time spent up to now is 302.3 secs Computing kpt #: 400 total cpu time spent up to now is 303.1 secs Computing kpt #: 401 total cpu time spent up to now is 303.8 secs Computing kpt #: 402 total cpu time spent up to now is 304.5 secs Computing kpt #: 403 total cpu time spent up to now is 305.2 secs Computing kpt #: 404 total cpu time spent up to now is 305.9 secs Computing kpt #: 405 total cpu time spent up to now is 306.6 secs Computing kpt #: 406 total cpu time spent up to now is 307.4 secs Computing kpt #: 407 total cpu time spent up to now is 308.0 secs Computing kpt #: 408 total cpu time spent up to now is 308.7 secs Computing kpt #: 409 total cpu time spent up to now is 309.4 secs Computing kpt #: 410 total cpu time spent up to now is 310.1 secs Computing kpt #: 411 total cpu time spent up to now is 310.8 secs Computing kpt #: 412 total cpu time spent up to now is 311.4 secs Computing kpt #: 413 total cpu time spent up to now is 312.1 secs Computing kpt #: 414 total cpu time spent up to now is 312.7 secs Computing kpt #: 415 total cpu time spent up to now is 313.4 secs Computing kpt #: 416 total cpu time spent up to now is 314.0 secs Computing kpt #: 417 total cpu time spent up to now is 314.7 secs Computing kpt #: 418 total cpu time spent up to now is 315.9 secs Computing kpt #: 419 total cpu time spent up to now is 316.5 secs Computing kpt #: 420 total cpu time spent up to now is 317.2 secs Computing kpt #: 421 total cpu time spent up to now is 317.9 secs Computing kpt #: 422 total cpu time spent up to now is 318.5 secs Computing kpt #: 423 total cpu time spent up to now is 319.2 secs Computing kpt #: 424 total cpu time spent up to now is 319.9 secs Computing kpt #: 425 total cpu time spent up to now is 320.6 secs Computing kpt #: 426 total cpu time spent up to now is 321.2 secs Computing kpt #: 427 total cpu time spent up to now is 321.9 secs Computing kpt #: 428 total cpu time spent up to now is 322.6 secs ethr = 2.08E-08, avg # of iterations = 20.8 total cpu time spent up to now is 322.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3407 PWs) bands (ev): -12.2618 -12.2618 -10.6707 -10.6707 -10.5404 -10.5404 -10.4892 -10.4892 -10.1837 -10.1837 -10.1359 -10.1359 0.0804 0.0804 0.9592 0.9592 1.8475 1.8475 2.1551 2.1551 2.8316 2.8316 4.0431 4.0431 4.1094 4.1094 4.3128 4.3128 4.5825 4.5825 4.7257 4.7257 4.7510 4.7510 5.0650 5.0650 5.0814 5.0814 5.3285 5.3285 5.9663 5.9663 6.3188 6.3188 6.3525 6.3525 6.7044 6.7044 11.4033 11.4033 13.9159 13.9159 14.7758 14.7758 15.3858 15.3858 16.4881 16.4881 k = 0.0179 0.0044-0.0045 ( 3410 PWs) bands (ev): -12.2611 -12.2611 -10.6788 -10.6788 -10.5414 -10.5414 -10.4811 -10.4811 -10.1845 -10.1845 -10.1348 -10.1348 0.0808 0.0808 0.9575 0.9575 1.8439 1.8439 2.1612 2.1612 2.8326 2.8326 4.0406 4.0406 4.1069 4.1069 4.3159 4.3159 4.5776 4.5776 4.7256 4.7256 4.7574 4.7574 5.0660 5.0660 5.0817 5.0817 5.3284 5.3284 5.9657 5.9657 6.3157 6.3157 6.3517 6.3517 6.7041 6.7041 11.4070 11.4070 13.9138 13.9138 14.7746 14.7746 15.3875 15.3875 16.4854 16.4854 k = 0.0357 0.0088-0.0090 ( 3403 PWs) bands (ev): -12.2591 -12.2591 -10.7002 -10.7002 -10.5428 -10.5428 -10.4613 -10.4613 -10.1865 -10.1865 -10.1317 -10.1317 0.0820 0.0820 0.9525 0.9525 1.8341 1.8341 2.1787 2.1787 2.8356 2.8356 4.0334 4.0334 4.0997 4.0997 4.3249 4.3249 4.5649 4.5649 4.7255 4.7255 4.7744 4.7744 5.0685 5.0685 5.0829 5.0829 5.3283 5.3283 5.9637 5.9637 6.3064 6.3064 6.3491 6.3491 6.7031 6.7031 11.4180 11.4180 13.9077 13.9077 14.7713 14.7713 15.3927 15.3927 16.4775 16.4775 k = 0.0536 0.0132-0.0135 ( 3407 PWs) bands (ev): -12.2556 -12.2556 -10.7300 -10.7300 -10.5434 -10.5434 -10.4359 -10.4359 -10.1895 -10.1895 -10.1268 -10.1268 0.0839 0.0839 0.9444 0.9444 1.8198 1.8198 2.2054 2.2054 2.8403 2.8403 4.0225 4.0225 4.0882 4.0882 4.3389 4.3389 4.5478 4.5478 4.7254 4.7254 4.7984 4.7984 5.0719 5.0719 5.0858 5.0858 5.3280 5.3280 5.9604 5.9604 6.2911 6.2911 6.3449 6.3449 6.7015 6.7015 11.4363 11.4363 13.8976 13.8976 14.7657 14.7657 15.4012 15.4012 16.4649 16.4649 k = 0.0714 0.0176-0.0181 ( 3401 PWs) bands (ev): -12.2507 -12.2507 -10.7646 -10.7646 -10.5434 -10.5434 -10.4086 -10.4086 -10.1929 -10.1929 -10.1206 -10.1206 0.0866 0.0866 0.9334 0.9334 1.8029 1.8029 2.2394 2.2394 2.8467 2.8467 4.0088 4.0088 4.0732 4.0732 4.3570 4.3570 4.5287 4.5287 4.7253 4.7253 4.8262 4.8262 5.0748 5.0748 5.0915 5.0915 5.3276 5.3276 5.9558 5.9558 6.2699 6.2699 6.3391 6.3391 6.6993 6.6993 11.4616 11.4616 13.8837 13.8837 14.7581 14.7581 15.4125 15.4125 16.4486 16.4486 k = 0.0893 0.0220-0.0226 ( 3403 PWs) bands (ev): -12.2444 -12.2444 -10.8021 -10.8021 -10.5428 -10.5428 -10.3814 -10.3814 -10.1964 -10.1964 -10.1131 -10.1131 0.0899 0.0899 0.9200 0.9200 1.7850 1.7850 2.2787 2.2787 2.8544 2.8544 3.9932 3.9932 4.0555 4.0555 4.3781 4.3781 4.5090 4.5090 4.7251 4.7251 4.8561 4.8561 5.0766 5.0766 5.1005 5.1005 5.3271 5.3271 5.9500 5.9500 6.2431 6.2431 6.3318 6.3318 6.6965 6.6965 11.4936 11.4936 13.8663 13.8663 14.7486 14.7486 15.4264 15.4264 16.4295 16.4295 k = 0.1071 0.0264-0.0271 ( 3410 PWs) bands (ev): -12.2368 -12.2368 -10.8414 -10.8414 -10.5420 -10.5420 -10.3555 -10.3555 -10.1996 -10.1996 -10.1043 -10.1043 0.0937 0.0937 0.9045 0.9045 1.7670 1.7670 2.3219 2.3219 2.8633 2.8633 3.9765 3.9765 4.0361 4.0361 4.4014 4.4014 4.4892 4.4892 4.7249 4.7249 4.8866 4.8866 5.0778 5.0778 5.1122 5.1122 5.3265 5.3265 5.9429 5.9429 6.2111 6.2111 6.3230 6.3230 6.6931 6.6931 11.5321 11.5321 13.8457 13.8457 14.7373 14.7373 15.4423 15.4423 16.4085 16.4085 k = 0.1250 0.0308-0.0316 ( 3416 PWs) bands (ev): -12.2278 -12.2278 -10.8820 -10.8820 -10.5408 -10.5408 -10.3321 -10.3321 -10.2020 -10.2020 -10.0943 -10.0943 0.0980 0.0980 0.8874 0.8874 1.7496 1.7496 2.3679 2.3679 2.8731 2.8731 3.9592 3.9592 4.0162 4.0162 4.4261 4.4261 4.4699 4.4699 4.7247 4.7247 4.9171 4.9171 5.0787 5.0787 5.1260 5.1260 5.3258 5.3258 5.9346 5.9346 6.1742 6.1742 6.3129 6.3129 6.6891 6.6891 11.5766 11.5766 13.8222 13.8222 14.7242 14.7242 15.4599 15.4599 16.3865 16.3865 k = 0.1429 0.0352-0.0361 ( 3412 PWs) bands (ev): -12.2174 -12.2174 -10.9233 -10.9233 -10.5394 -10.5394 -10.3119 -10.3119 -10.2032 -10.2032 -10.0828 -10.0828 0.1027 0.1027 0.8692 0.8692 1.7332 1.7332 2.4155 2.4155 2.8836 2.8836 3.9417 3.9417 3.9967 3.9967 4.4443 4.4443 4.4586 4.4586 4.7245 4.7245 4.9467 4.9467 5.0794 5.0794 5.1417 5.1417 5.3250 5.3250 5.9252 5.9252 6.1330 6.1330 6.3017 6.3017 6.6846 6.6846 11.6268 11.6268 13.7962 13.7962 14.7094 14.7094 15.4787 15.4787 16.3642 16.3642 k = 0.1607 0.0397-0.0406 ( 3409 PWs) bands (ev): -12.2057 -12.2057 -10.9653 -10.9653 -10.5377 -10.5377 -10.2960 -10.2960 -10.2025 -10.2025 -10.0699 -10.0699 0.1075 0.1075 0.8503 0.8503 1.7179 1.7179 2.4634 2.4634 2.8951 2.8951 3.9243 3.9243 3.9786 3.9786 4.4285 4.4285 4.4822 4.4822 4.7243 4.7243 4.9752 4.9752 5.0801 5.0801 5.1587 5.1587 5.3242 5.3242 5.9147 5.9147 6.0879 6.0879 6.2894 6.2894 6.6797 6.6797 11.6821 11.6821 13.7680 13.7680 14.6928 14.6928 15.4982 15.4982 16.3423 16.3423 k = 0.1786 0.0441-0.0451 ( 3416 PWs) bands (ev): -12.1926 -12.1926 -11.0076 -11.0076 -10.5359 -10.5359 -10.2851 -10.2851 -10.1994 -10.1994 -10.0555 -10.0555 0.1125 0.1125 0.8312 0.8312 1.7041 1.7041 2.5104 2.5104 2.9078 2.9078 3.9072 3.9072 3.9628 3.9628 4.4092 4.4092 4.5100 4.5100 4.7242 4.7242 5.0021 5.0021 5.0806 5.0806 5.1767 5.1767 5.3233 5.3233 5.9032 5.9032 6.0395 6.0395 6.2763 6.2763 6.6743 6.6743 11.7421 11.7421 13.7380 13.7380 14.6745 14.6745 15.5181 15.5181 16.3211 16.3211 k = 0.1964 0.0485-0.0497 ( 3424 PWs) bands (ev): -12.1782 -12.1782 -11.0502 -11.0502 -10.5339 -10.5339 -10.2791 -10.2791 -10.1940 -10.1940 -10.0398 -10.0398 0.1174 0.1174 0.8122 0.8122 1.6918 1.6918 2.5546 2.5546 2.9228 2.9228 3.8906 3.8906 3.9501 3.9501 4.3894 4.3894 4.5385 4.5385 4.7242 4.7242 5.0274 5.0274 5.0811 5.0811 5.1952 5.1952 5.3223 5.3223 5.8907 5.8907 5.9884 5.9884 6.2625 6.2625 6.6685 6.6685 11.8064 11.8064 13.7066 13.7066 14.6545 14.6545 15.5380 15.5380 16.3008 16.3008 k = 0.2143 0.0529-0.0542 ( 3422 PWs) bands (ev): -12.1625 -12.1625 -11.0929 -11.0929 -10.5317 -10.5317 -10.2769 -10.2769 -10.1871 -10.1871 -10.0229 -10.0229 0.1222 0.1222 0.7938 0.7938 1.6811 1.6811 2.5937 2.5937 2.9416 2.9416 3.8746 3.8746 3.9410 3.9410 4.3694 4.3694 4.5672 4.5672 4.7243 4.7243 5.0510 5.0510 5.0815 5.0815 5.2135 5.2135 5.3213 5.3213 5.8771 5.8771 5.9356 5.9356 6.2484 6.2484 6.6624 6.6624 11.8743 11.8743 13.6741 13.6741 14.6327 14.6327 15.5577 15.5577 16.2811 16.2811 k = 0.2321 0.0573-0.0587 ( 3422 PWs) bands (ev): -12.1455 -12.1455 -11.1356 -11.1356 -10.5295 -10.5295 -10.2774 -10.2774 -10.1798 -10.1798 -10.0053 -10.0053 0.1266 0.1266 0.7761 0.7761 1.6720 1.6720 2.6253 2.6253 2.9662 2.9662 3.8593 3.8593 3.9358 3.9358 4.3491 4.3491 4.5959 4.5959 4.7246 4.7246 5.0728 5.0728 5.0819 5.0819 5.2309 5.2309 5.3203 5.3203 5.8608 5.8608 5.8834 5.8834 6.2340 6.2340 6.6560 6.6560 11.9455 11.9455 13.6407 13.6407 14.6092 14.6092 15.5768 15.5768 16.2616 16.2616 k = 0.2500 0.0617-0.0632 ( 3422 PWs) bands (ev): -12.1273 -12.1273 -11.1782 -11.1782 -10.5271 -10.5271 -10.2796 -10.2796 -10.1725 -10.1725 -9.9873 -9.9873 0.1306 0.1306 0.7595 0.7595 1.6647 1.6647 2.6473 2.6473 2.9983 2.9983 3.8447 3.8447 3.9347 3.9347 4.3284 4.3284 4.6241 4.6241 4.7254 4.7254 5.0814 5.0814 5.0937 5.0937 5.2468 5.2468 5.3193 5.3193 5.8222 5.8222 5.8526 5.8526 6.2197 6.2197 6.6494 6.6494 12.0193 12.0193 13.6068 13.6068 14.5840 14.5840 15.5952 15.5952 16.2417 16.2417 k = 0.2679 0.0661-0.0677 ( 3422 PWs) bands (ev): -12.1078 -12.1078 -11.2206 -11.2206 -10.5246 -10.5246 -10.2827 -10.2827 -10.1659 -10.1659 -9.9692 -9.9692 0.1341 0.1341 0.7442 0.7442 1.6590 1.6590 2.6591 2.6591 3.0383 3.0383 3.8310 3.8310 3.9373 3.9373 4.3074 4.3074 4.6512 4.6512 4.7273 4.7273 5.0812 5.0812 5.1125 5.1125 5.2601 5.2601 5.3183 5.3183 5.7692 5.7692 5.8364 5.8364 6.2056 6.2056 6.6426 6.6426 12.0952 12.0952 13.5724 13.5724 14.5572 14.5572 15.6129 15.6129 16.2206 16.2206 k = 0.2857 0.0705-0.0722 ( 3424 PWs) bands (ev): -12.0871 -12.0871 -11.2627 -11.2627 -10.5220 -10.5220 -10.2865 -10.2865 -10.1598 -10.1598 -9.9516 -9.9516 0.1370 0.1370 0.7303 0.7303 1.6551 1.6551 2.6617 2.6617 3.0855 3.0855 3.8181 3.8181 3.9435 3.9435 4.2862 4.2862 4.6757 4.6757 4.7314 4.7314 5.0807 5.0807 5.1299 5.1299 5.2700 5.2700 5.3173 5.3173 5.7169 5.7169 5.8209 5.8209 6.1921 6.1921 6.6358 6.6358 12.1728 12.1728 13.5378 13.5378 14.5291 14.5291 15.6297 15.6297 16.1975 16.1975 k = 0.3036 0.0749-0.0767 ( 3420 PWs) bands (ev): -12.0652 -12.0652 -11.3044 -11.3044 -10.5195 -10.5195 -10.2905 -10.2905 -10.1544 -10.1544 -9.9346 -9.9346 0.1392 0.1392 0.7178 0.7178 1.6527 1.6527 2.6566 2.6566 3.1383 3.1383 3.8061 3.8061 3.9523 3.9523 4.2648 4.2648 4.6943 4.6943 4.7410 4.7410 5.0798 5.0798 5.1459 5.1459 5.2751 5.2751 5.3163 5.3163 5.6679 5.6679 5.8056 5.8056 6.1792 6.1792 6.6289 6.6289 12.2515 12.2515 13.5029 13.5029 14.4999 14.4999 15.6457 15.6457 16.1721 16.1721 k = 0.3214 0.0793-0.0813 ( 3419 PWs) bands (ev): -12.0422 -12.0422 -11.3457 -11.3457 -10.5169 -10.5169 -10.2947 -10.2947 -10.1497 -10.1497 -9.9184 -9.9184 0.1409 0.1409 0.7069 0.7069 1.6518 1.6518 2.6459 2.6459 3.1951 3.1951 3.7951 3.7951 3.9628 3.9628 4.2436 4.2436 4.7045 4.7045 4.7583 4.7583 5.0785 5.0785 5.1604 5.1604 5.2745 5.2745 5.3153 5.3153 5.6239 5.6239 5.7904 5.7904 6.1672 6.1672 6.6222 6.6222 12.3307 12.3307 13.4677 13.4677 14.4699 14.4699 15.6610 15.6610 16.1445 16.1445 k = 0.3393 0.0837-0.0858 ( 3418 PWs) bands (ev): -12.0181 -12.0181 -11.3865 -11.3865 -10.5144 -10.5144 -10.2988 -10.2988 -10.1455 -10.1455 -9.9034 -9.9034 0.1419 0.1419 0.6974 0.6974 1.6523 1.6523 2.6313 2.6313 3.2545 3.2545 3.7851 3.7851 3.9736 3.9736 4.2231 4.2231 4.7089 4.7089 4.7806 4.7806 5.0767 5.0767 5.1731 5.1731 5.2670 5.2670 5.3141 5.3141 5.5870 5.5870 5.7756 5.7756 6.1563 6.1563 6.6157 6.6157 12.4100 12.4100 13.4322 13.4322 14.4396 14.4396 15.6758 15.6758 16.1151 16.1151 k = 0.3571 0.0881-0.0903 ( 3419 PWs) bands (ev): -11.9929 -11.9929 -11.4266 -11.4266 -10.5119 -10.5119 -10.3027 -10.3027 -10.1419 -10.1419 -9.8895 -9.8895 0.1424 0.1424 0.6894 0.6894 1.6540 1.6540 2.6143 2.6143 3.3153 3.3153 3.7761 3.7761 3.9827 3.9827 4.2046 4.2046 4.7109 4.7109 4.8043 4.8043 5.0744 5.0744 5.1835 5.1835 5.2528 5.2528 5.3130 5.3130 5.5583 5.5583 5.7613 5.7613 6.1465 6.1465 6.6094 6.6094 12.4888 12.4888 13.3961 13.3961 14.4096 14.4096 15.6902 15.6902 16.0846 16.0846 k = 0.3750 0.0925-0.0948 ( 3419 PWs) bands (ev): -11.9669 -11.9669 -11.4660 -11.4660 -10.5096 -10.5096 -10.3065 -10.3065 -10.1388 -10.1388 -9.8771 -9.8771 0.1425 0.1425 0.6827 0.6827 1.6566 1.6566 2.5962 2.5962 3.3767 3.3767 3.7681 3.7681 3.9874 3.9874 4.1896 4.1896 4.7118 4.7118 4.8278 4.8278 5.0715 5.0715 5.1889 5.1889 5.2352 5.2352 5.3120 5.3120 5.5376 5.5376 5.7478 5.7478 6.1380 6.1380 6.6036 6.6036 12.5666 12.5666 13.3591 13.3591 14.3803 14.3803 15.7043 15.7043 16.0538 16.0538 k = 0.3929 0.0969-0.0993 ( 3421 PWs) bands (ev): -11.9400 -11.9400 -11.5044 -11.5044 -10.5075 -10.5075 -10.3099 -10.3099 -10.1361 -10.1361 -9.8661 -9.8661 0.1422 0.1422 0.6772 0.6772 1.6598 1.6598 2.5781 2.5781 3.4377 3.4377 3.7611 3.7611 3.9850 3.9850 4.1800 4.1800 4.7123 4.7123 4.8502 4.8502 5.0681 5.0681 5.1810 5.1810 5.2249 5.2249 5.3111 5.3111 5.5237 5.5237 5.7354 5.7354 6.1308 6.1308 6.5983 6.5983 12.6429 12.6429 13.3210 13.3210 14.3526 14.3526 15.7184 15.7184 16.0234 16.0234 k = 0.4107 0.1013-0.1038 ( 3418 PWs) bands (ev): -11.9126 -11.9126 -11.5417 -11.5417 -10.5056 -10.5056 -10.3129 -10.3129 -10.1339 -10.1339 -9.8567 -9.8567 0.1417 0.1417 0.6729 0.6729 1.6634 1.6634 2.5610 2.5610 3.4978 3.4978 3.7552 3.7552 3.9734 3.9734 4.1770 4.1770 4.7126 4.7126 4.8709 4.8709 5.0641 5.0641 5.1584 5.1584 5.2262 5.2262 5.3103 5.3103 5.5148 5.5148 5.7243 5.7243 6.1248 6.1248 6.5936 6.5936 12.7171 12.7171 13.2814 13.2814 14.3272 14.3272 15.7325 15.7325 15.9942 15.9942 k = 0.4286 0.1057-0.1083 ( 3420 PWs) bands (ev): -11.8849 -11.8849 -11.5775 -11.5775 -10.5039 -10.5039 -10.3155 -10.3155 -10.1322 -10.1322 -9.8490 -9.8490 0.1412 0.1412 0.6695 0.6695 1.6670 1.6670 2.5457 2.5457 3.5560 3.5560 3.7503 3.7503 3.9529 3.9529 4.1793 4.1793 4.7127 4.7127 4.8895 4.8895 5.0598 5.0598 5.1323 5.1323 5.2307 5.2307 5.3097 5.3097 5.5092 5.5092 5.7148 5.7148 6.1201 6.1201 6.5896 6.5896 12.7888 12.7888 13.2396 13.2396 14.3049 14.3049 15.7466 15.7466 15.9668 15.9668 k = 0.4464 0.1101-0.1129 ( 3416 PWs) bands (ev): -11.8576 -11.8576 -11.6110 -11.6110 -10.5026 -10.5026 -10.3176 -10.3176 -10.1308 -10.1308 -9.8429 -9.8429 0.1406 0.1406 0.6670 0.6670 1.6702 1.6702 2.5330 2.5330 3.6112 3.6112 3.7465 3.7465 3.9256 3.9256 4.1846 4.1846 4.7128 4.7128 4.9053 4.9053 5.0554 5.0554 5.1085 5.1085 5.2351 5.2351 5.3092 5.3092 5.5058 5.5058 5.7070 5.7070 6.1165 6.1165 6.5864 6.5864 12.8575 12.8575 13.1954 13.1954 14.2866 14.2866 15.7603 15.7603 15.9423 15.9423 k = 0.4643 0.1145-0.1174 ( 3414 PWs) bands (ev): -11.8323 -11.8323 -11.6408 -11.6408 -10.5016 -10.5016 -10.3191 -10.3191 -10.1298 -10.1298 -9.8385 -9.8385 0.1401 0.1401 0.6653 0.6653 1.6727 1.6727 2.5235 2.5235 3.6616 3.6616 3.7438 3.7438 3.8943 3.8943 4.1904 4.1904 4.7128 4.7128 4.9176 4.9176 5.0515 5.0515 5.0898 5.0898 5.2385 5.2385 5.3089 5.3089 5.5037 5.5037 5.7014 5.7014 6.1140 6.1140 6.5840 6.5840 12.9228 12.9228 13.1481 13.1481 14.2729 14.2729 15.7727 15.7727 15.9217 15.9217 k = 0.4821 0.1190-0.1219 ( 3409 PWs) bands (ev): -11.8123 -11.8123 -11.6635 -11.6635 -10.5010 -10.5010 -10.3200 -10.3200 -10.1292 -10.1292 -9.8358 -9.8358 0.1398 0.1398 0.6643 0.6643 1.6744 1.6744 2.5176 2.5176 3.7023 3.7023 3.7423 3.7423 3.8648 3.8648 4.1946 4.1946 4.7129 4.7129 4.9255 4.9255 5.0487 5.0487 5.0778 5.0778 5.2406 5.2406 5.3087 5.3087 5.5026 5.5026 5.6979 5.6979 6.1125 6.1125 6.5826 6.5826 12.9844 12.9844 13.0978 13.0978 14.2644 14.2644 15.7820 15.7820 15.9074 15.9074 k = 0.5000 0.1234-0.1264 ( 3410 PWs) bands (ev): -11.8041 -11.8041 -11.6726 -11.6726 -10.5008 -10.5008 -10.3204 -10.3204 -10.1290 -10.1290 -9.8349 -9.8349 0.1397 0.1397 0.6639 0.6639 1.6749 1.6749 2.5156 2.5156 3.7201 3.7201 3.7419 3.7419 3.8506 3.8506 4.1961 4.1961 4.7129 4.7129 4.9282 4.9282 5.0477 5.0477 5.0737 5.0737 5.2413 5.2413 5.3086 5.3086 5.5022 5.5022 5.6967 5.6967 6.1120 6.1120 6.5821 6.5821 13.0353 13.0353 13.0506 13.0506 14.2616 14.2616 15.7856 15.7856 15.9021 15.9021 k = 0.5000 0.1234-0.1264 ( 3410 PWs) bands (ev): -11.8041 -11.8041 -11.6726 -11.6726 -10.5008 -10.5008 -10.3204 -10.3204 -10.1290 -10.1290 -9.8349 -9.8349 0.1397 0.1397 0.6639 0.6639 1.6749 1.6749 2.5156 2.5156 3.7201 3.7201 3.7419 3.7419 3.8506 3.8506 4.1961 4.1961 4.7129 4.7129 4.9282 4.9282 5.0477 5.0477 5.0737 5.0737 5.2413 5.2413 5.3086 5.3086 5.5022 5.5022 5.6967 5.6967 6.1120 6.1120 6.5821 6.5821 13.0353 13.0353 13.0506 13.0506 14.2616 14.2616 15.7856 15.7856 15.9021 15.9021 k = 0.5045 0.1245-0.1077 ( 3410 PWs) bands (ev): -11.8036 -11.8036 -11.6720 -11.6720 -10.5050 -10.5050 -10.3190 -10.3190 -10.1278 -10.1278 -9.8347 -9.8347 0.1414 0.1414 0.6653 0.6653 1.6757 1.6757 2.5169 2.5169 3.7150 3.7150 3.7423 3.7423 3.8491 3.8491 4.1975 4.1975 4.7117 4.7117 4.9278 4.9278 5.0480 5.0480 5.0726 5.0726 5.2379 5.2379 5.3094 5.3094 5.5040 5.5040 5.6968 5.6968 6.1116 6.1116 6.5830 6.5830 13.0344 13.0344 13.0558 13.0558 14.2629 14.2629 15.7805 15.7805 15.9047 15.9047 k = 0.5089 0.1256-0.0890 ( 3405 PWs) bands (ev): -11.8022 -11.8022 -11.6701 -11.6701 -10.5168 -10.5168 -10.3158 -10.3158 -10.1242 -10.1242 -9.8338 -9.8338 0.1467 0.1467 0.6693 0.6693 1.6781 1.6781 2.5209 2.5209 3.7002 3.7002 3.7437 3.7437 3.8442 3.8442 4.2016 4.2016 4.7082 4.7082 4.9265 4.9265 5.0489 5.0489 5.0693 5.0693 5.2279 5.2279 5.3116 5.3116 5.5092 5.5092 5.6970 5.6970 6.1103 6.1103 6.5856 6.5856 13.0347 13.0347 13.0683 13.0683 14.2671 14.2671 15.7663 15.7663 15.9113 15.9113 k = 0.5134 0.1267-0.0703 ( 3403 PWs) bands (ev): -11.7999 -11.7999 -11.6670 -11.6670 -10.5347 -10.5347 -10.3122 -10.3122 -10.1180 -10.1180 -9.8325 -9.8325 0.1554 0.1554 0.6761 0.6761 1.6821 1.6821 2.5274 2.5274 3.6769 3.6769 3.7462 3.7462 3.8353 3.8353 4.2075 4.2075 4.7024 4.7024 4.9244 4.9244 5.0503 5.0503 5.0638 5.0638 5.2122 5.2122 5.3151 5.3151 5.5169 5.5169 5.6972 5.6972 6.1082 6.1082 6.5899 6.5899 13.0382 13.0382 13.0858 13.0858 14.2740 14.2740 15.7451 15.7451 15.9197 15.9197 k = 0.5178 0.1278-0.0516 ( 3413 PWs) bands (ev): -11.7967 -11.7967 -11.6626 -11.6626 -10.5572 -10.5572 -10.3097 -10.3097 -10.1094 -10.1094 -9.8306 -9.8306 0.1675 0.1675 0.6855 0.6855 1.6875 1.6875 2.5365 2.5365 3.6469 3.6469 3.7496 3.7496 3.8219 3.8219 4.2143 4.2143 4.6945 4.6945 4.9215 4.9215 5.0518 5.0518 5.0567 5.0567 5.1920 5.1920 5.3198 5.3198 5.5264 5.5264 5.6976 5.6976 6.1054 6.1054 6.5957 6.5957 13.0453 13.0453 13.1079 13.1079 14.2835 14.2835 15.7184 15.7184 15.9283 15.9283 k = 0.5223 0.1289-0.0329 ( 3415 PWs) bands (ev): -11.7926 -11.7926 -11.6570 -11.6570 -10.5829 -10.5829 -10.3094 -10.3094 -10.0984 -10.0984 -9.8282 -9.8282 0.1830 0.1830 0.6975 0.6975 1.6945 1.6945 2.5479 2.5479 3.6114 3.6114 3.7541 3.7541 3.8038 3.8038 4.2208 4.2208 4.6845 4.6845 4.9180 4.9180 5.0461 5.0461 5.0552 5.0552 5.1683 5.1683 5.3256 5.3256 5.5370 5.5370 5.6982 5.6982 6.1020 6.1020 6.6029 6.6029 13.0560 13.0560 13.1341 13.1341 14.2957 14.2957 15.6871 15.6871 15.9362 15.9362 k = 0.5267 0.1300-0.0142 ( 3417 PWs) bands (ev): -11.7876 -11.7876 -11.6501 -11.6501 -10.6109 -10.6109 -10.3116 -10.3116 -10.0856 -10.0856 -9.8254 -9.8254 0.2018 0.2018 0.7122 0.7122 1.7029 1.7029 2.5614 2.5614 3.5717 3.5717 3.7595 3.7595 3.7811 3.7811 4.2259 4.2259 4.6727 4.6727 4.9139 4.9139 5.0349 5.0349 5.0579 5.0579 5.1423 5.1423 5.3322 5.3322 5.5480 5.5480 5.6988 5.6988 6.0983 6.0983 6.6113 6.6113 13.0701 13.0701 13.1644 13.1644 14.3105 14.3105 15.6518 15.6518 15.9429 15.9429 k = 0.5312 0.1311 0.0045 ( 3415 PWs) bands (ev): -11.7819 -11.7819 -11.6420 -11.6420 -10.6405 -10.6405 -10.3164 -10.3164 -10.0713 -10.0713 -9.8222 -9.8222 0.2239 0.2239 0.7294 0.7294 1.7126 1.7126 2.5769 2.5769 3.5287 3.5287 3.7537 3.7537 3.7661 3.7661 4.2287 4.2287 4.6591 4.6591 4.9092 4.9092 5.0213 5.0213 5.0610 5.0610 5.1151 5.1151 5.3396 5.3396 5.5590 5.5590 5.6996 5.6996 6.0945 6.0945 6.6207 6.6207 13.0874 13.0874 13.1986 13.1986 14.3276 14.3276 15.6127 15.6127 15.9484 15.9484 k = 0.5356 0.1321 0.0232 ( 3412 PWs) bands (ev): -11.7754 -11.7754 -11.6327 -11.6327 -10.6713 -10.6713 -10.3237 -10.3237 -10.0562 -10.0562 -9.8187 -9.8187 0.2491 0.2491 0.7490 0.7490 1.7235 1.7235 2.5939 2.5939 3.4832 3.4832 3.7225 3.7225 3.7734 3.7734 4.2283 4.2283 4.6439 4.6439 4.9041 4.9041 5.0051 5.0051 5.0644 5.0644 5.0884 5.0884 5.3475 5.3475 5.5698 5.5698 5.7006 5.7006 6.0908 6.0908 6.6310 6.6310 13.1075 13.1075 13.2363 13.2363 14.3471 14.3471 15.5702 15.5702 15.9526 15.9526 k = 0.5401 0.1332 0.0418 ( 3413 PWs) bands (ev): -11.7683 -11.7683 -11.6222 -11.6222 -10.7028 -10.7028 -10.3331 -10.3331 -10.0408 -10.0408 -9.8148 -9.8148 0.2774 0.2774 0.7712 0.7712 1.7356 1.7356 2.6122 2.6122 3.4360 3.4360 3.6875 3.6875 3.7817 3.7817 4.2242 4.2242 4.6273 4.6273 4.8987 4.8987 4.9851 4.9851 5.0625 5.0625 5.0695 5.0695 5.3558 5.3558 5.5800 5.5800 5.7017 5.7017 6.0874 6.0874 6.6418 6.6418 13.1301 13.1301 13.2774 13.2774 14.3688 14.3688 15.5246 15.5246 15.9556 15.9556 k = 0.5445 0.1343 0.0605 ( 3410 PWs) bands (ev): -11.7606 -11.7606 -11.6105 -11.6105 -10.7347 -10.7347 -10.3444 -10.3444 -10.0254 -10.0254 -9.8106 -9.8106 0.3086 0.3086 0.7957 0.7957 1.7486 1.7486 2.6310 2.6310 3.3878 3.3878 3.6493 3.6493 3.7909 3.7909 4.2161 4.2161 4.6095 4.6095 4.8928 4.8928 4.9606 4.9606 5.0424 5.0424 5.0727 5.0727 5.3643 5.3643 5.5896 5.5896 5.7030 5.7030 6.0845 6.0845 6.6532 6.6532 13.1548 13.1548 13.3216 13.3216 14.3925 14.3925 15.4764 15.4764 15.9575 15.9575 k = 0.5490 0.1354 0.0792 ( 3413 PWs) bands (ev): -11.7523 -11.7523 -11.5977 -11.5977 -10.7667 -10.7667 -10.3573 -10.3573 -10.0104 -10.0104 -9.8062 -9.8062 0.3425 0.3425 0.8224 0.8224 1.7622 1.7622 2.6498 2.6498 3.3394 3.3394 3.6084 3.6084 3.8011 3.8011 4.2037 4.2037 4.5905 4.5905 4.8867 4.8867 4.9314 4.9314 5.0258 5.0258 5.0768 5.0768 5.3729 5.3729 5.5983 5.5983 5.7045 5.7045 6.0825 6.0825 6.6648 6.6648 13.1812 13.1812 13.3685 13.3685 14.4180 14.4180 15.4261 15.4261 15.9585 15.9585 k = 0.5535 0.1365 0.0979 ( 3411 PWs) bands (ev): -11.7438 -11.7438 -11.5837 -11.5837 -10.7986 -10.7986 -10.3717 -10.3717 -9.9960 -9.9960 -9.8015 -9.8015 0.3791 0.3791 0.8514 0.8514 1.7763 1.7763 2.6675 2.6675 3.2918 3.2918 3.5653 3.5653 3.8122 3.8122 4.1872 4.1872 4.5707 4.5707 4.8800 4.8800 4.8991 4.8991 5.0128 5.0128 5.0811 5.0811 5.3814 5.3814 5.6060 5.6060 5.7061 5.7061 6.0815 6.0815 6.6765 6.6765 13.2089 13.2089 13.4179 13.4179 14.4453 14.4453 15.3741 15.3741 15.9587 15.9587 k = 0.5579 0.1376 0.1166 ( 3411 PWs) bands (ev): -11.7350 -11.7350 -11.5687 -11.5687 -10.8301 -10.8301 -10.3872 -10.3872 -9.9825 -9.9825 -9.7967 -9.7967 0.4182 0.4182 0.8824 0.8824 1.7905 1.7905 2.6830 2.6830 3.2460 3.2460 3.5207 3.5207 3.8242 3.8242 4.1668 4.1668 4.5500 4.5500 4.8631 4.8631 4.8748 4.8748 5.0024 5.0024 5.0855 5.0855 5.3898 5.3898 5.6127 5.6127 5.7080 5.7080 6.0817 6.0817 6.6883 6.6883 13.2374 13.2374 13.4695 13.4695 14.4739 14.4739 15.3211 15.3211 15.9581 15.9581 k = 0.5624 0.1387 0.1353 ( 3411 PWs) bands (ev): -11.7261 -11.7261 -11.5525 -11.5525 -10.8608 -10.8608 -10.4038 -10.4038 -9.9700 -9.9700 -9.7918 -9.7918 0.4595 0.4595 0.9155 0.9155 1.8044 1.8044 2.6945 2.6945 3.2038 3.2038 3.4754 3.4754 3.8371 3.8371 4.1429 4.1429 4.5287 4.5287 4.8279 4.8279 4.8674 4.8674 4.9939 4.9939 5.0899 5.0899 5.3979 5.3979 5.6182 5.6182 5.7100 5.7100 6.0834 6.0834 6.7000 6.7000 13.2661 13.2661 13.5228 13.5228 14.5037 14.5037 15.2676 15.2676 15.9568 15.9568 k = 0.5668 0.1398 0.1540 ( 3418 PWs) bands (ev): -11.7174 -11.7174 -11.5353 -11.5353 -10.8907 -10.8907 -10.4213 -10.4213 -9.9585 -9.9585 -9.7867 -9.7867 0.5028 0.5028 0.9503 0.9503 1.8174 1.8174 2.6999 2.6999 3.1669 3.1669 3.4301 3.4301 3.8507 3.8507 4.1160 4.1160 4.5069 4.5069 4.7919 4.7919 4.8604 4.8604 4.9867 4.9867 5.0944 5.0944 5.4057 5.4057 5.6224 5.6224 5.7123 5.7123 6.0865 6.0865 6.7114 6.7114 13.2946 13.2946 13.5777 13.5777 14.5344 14.5344 15.2146 15.2146 15.9548 15.9548 k = 0.5713 0.1409 0.1727 ( 3411 PWs) bands (ev): -11.7091 -11.7091 -11.5171 -11.5171 -10.9192 -10.9192 -10.4396 -10.4396 -9.9482 -9.9482 -9.7817 -9.7817 0.5480 0.5480 0.9869 0.9869 1.8290 1.8290 2.6971 2.6971 3.1374 3.1374 3.3859 3.3859 3.8653 3.8653 4.0866 4.0866 4.4846 4.4846 4.7564 4.7564 4.8533 4.8533 4.9805 4.9805 5.0989 5.0989 5.4130 5.4130 5.6255 5.6255 5.7148 5.7148 6.0912 6.0912 6.7226 6.7226 13.3221 13.3221 13.6337 13.6337 14.5654 14.5654 15.1627 15.1627 15.9522 15.9522 k = 0.5757 0.1420 0.1914 ( 3411 PWs) bands (ev): -11.7014 -11.7014 -11.4979 -11.4979 -10.9462 -10.9462 -10.4585 -10.4585 -9.9391 -9.9391 -9.7767 -9.7767 0.5947 0.5947 1.0250 1.0250 1.8385 1.8385 2.6842 2.6842 3.1167 3.1167 3.3437 3.3437 3.8806 3.8806 4.0552 4.0552 4.4620 4.4620 4.7220 4.7220 4.8460 4.8460 4.9749 4.9749 5.1033 5.1033 5.4199 5.4199 5.6273 5.6273 5.7174 5.7174 6.0975 6.0975 6.7334 6.7334 13.3481 13.3481 13.6905 13.6905 14.5961 14.5961 15.1132 15.1132 15.9488 15.9488 k = 0.5802 0.1431 0.2101 ( 3409 PWs) bands (ev): -11.6946 -11.6946 -11.4778 -11.4778 -10.9712 -10.9712 -10.4779 -10.4779 -9.9311 -9.9311 -9.7719 -9.7719 0.6428 0.6428 1.0645 1.0645 1.8450 1.8450 2.6606 2.6606 3.1051 3.1051 3.3047 3.3047 3.8966 3.8966 4.0222 4.0222 4.4392 4.4392 4.6896 4.6896 4.8387 4.8387 4.9696 4.9696 5.1077 5.1077 5.4263 5.4263 5.6280 5.6280 5.7203 5.7203 6.1054 6.1054 6.7438 6.7438 13.3717 13.3717 13.7477 13.7477 14.6257 14.6257 15.0674 15.0674 15.9447 15.9447 k = 0.5846 0.1442 0.2288 ( 3405 PWs) bands (ev): -11.6891 -11.6891 -11.4568 -11.4568 -10.9940 -10.9940 -10.4977 -10.4977 -9.9242 -9.9242 -9.7673 -9.7673 0.6918 0.6918 1.1052 1.1052 1.8477 1.8477 2.6276 2.6276 3.1012 3.1012 3.2703 3.2703 3.9133 3.9133 3.9881 3.9881 4.4163 4.4163 4.6598 4.6598 4.8312 4.8312 4.9645 4.9645 5.1119 5.1119 5.4321 5.4321 5.6275 5.6275 5.7233 5.7233 6.1147 6.1147 6.7536 6.7536 13.3923 13.3923 13.8050 13.8050 14.6526 14.6526 15.0273 15.0273 15.9397 15.9397 k = 0.5891 0.1453 0.2475 ( 3403 PWs) bands (ev): -11.6851 -11.6851 -11.4349 -11.4349 -11.0141 -11.0141 -10.5178 -10.5178 -9.9184 -9.9184 -9.7630 -9.7630 0.7416 0.7416 1.1467 1.1467 1.8458 1.8458 2.5870 2.5870 3.1027 3.1027 3.2416 3.2416 3.9306 3.9306 3.9532 3.9532 4.3934 4.3934 4.6335 4.6335 4.8237 4.8237 4.9593 4.9593 5.1161 5.1161 5.4373 5.4373 5.6261 5.6261 5.7265 5.7265 6.1252 6.1252 6.7628 6.7628 13.4090 13.4090 13.8619 13.8619 14.6749 14.6749 14.9954 14.9954 15.9335 15.9335 k = 0.5935 0.1464 0.2662 ( 3407 PWs) bands (ev): -11.6830 -11.6830 -11.4122 -11.4122 -11.0312 -11.0312 -10.5380 -10.5380 -9.9136 -9.9136 -9.7592 -9.7592 0.7918 0.7918 1.1889 1.1889 1.8384 1.8384 2.5411 2.5411 3.1072 3.1072 3.2198 3.2198 3.9173 3.9173 3.9489 3.9489 4.3706 4.3706 4.6116 4.6116 4.8161 4.8161 4.9541 4.9541 5.1201 5.1201 5.4419 5.4419 5.6237 5.6237 5.7299 5.7299 6.1369 6.1369 6.7715 6.7715 13.4210 13.4210 13.9180 13.9180 14.6897 14.6897 14.9750 14.9750 15.9244 15.9244 k = 0.5980 0.1475 0.2849 ( 3405 PWs) bands (ev): -11.6832 -11.6832 -11.3888 -11.3888 -11.0449 -11.0449 -10.5582 -10.5582 -9.9098 -9.9098 -9.7559 -9.7559 0.8420 0.8420 1.2312 1.2312 1.8248 1.8248 2.4920 2.4920 3.1130 3.1130 3.2055 3.2055 3.8811 3.8811 3.9674 3.9674 4.3480 4.3480 4.5948 4.5948 4.8085 4.8085 4.9486 4.9486 5.1239 5.1239 5.4459 5.4459 5.6206 5.6206 5.7335 5.7335 6.1496 6.1496 6.7794 6.7794 13.4276 13.4276 13.9728 13.9728 14.6949 14.6949 14.9687 14.9687 15.9033 15.9033 k = 0.6025 0.1486 0.3036 ( 3405 PWs) bands (ev): -11.6857 -11.6857 -11.3648 -11.3648 -11.0552 -11.0552 -10.5784 -10.5784 -9.9068 -9.9068 -9.7532 -9.7532 0.8919 0.8919 1.2731 1.2731 1.8048 1.8048 2.4413 2.4413 3.1195 3.1195 3.1984 3.1984 3.8444 3.8444 3.9863 3.9863 4.3258 4.3258 4.5838 4.5838 4.8008 4.8008 4.9428 4.9428 5.1276 5.1276 5.4493 5.4493 5.6168 5.6168 5.7372 5.7372 6.1631 6.1631 6.7865 6.7865 13.4280 13.4280 14.0259 14.0259 14.6909 14.6909 14.9765 14.9765 15.8545 15.8545 k = 0.6025 0.1486 0.3036 ( 3405 PWs) bands (ev): -11.6857 -11.6857 -11.3648 -11.3648 -11.0552 -11.0552 -10.5784 -10.5784 -9.9068 -9.9068 -9.7532 -9.7532 0.8919 0.8919 1.2731 1.2731 1.8048 1.8048 2.4413 2.4413 3.1195 3.1195 3.1984 3.1984 3.8444 3.8444 3.9863 3.9863 4.3258 4.3258 4.5838 4.5838 4.8008 4.8008 4.9428 4.9428 5.1276 5.1276 5.4493 5.4493 5.6168 5.6168 5.7372 5.7372 6.1631 6.1631 6.7865 6.7865 13.4280 13.4280 14.0259 14.0259 14.6909 14.6909 14.9765 14.9765 15.8545 15.8545 k = 0.5911 0.1458 0.3176 ( 3405 PWs) bands (ev): -11.6837 -11.6837 -11.3520 -11.3520 -11.0528 -11.0528 -10.6102 -10.6102 -9.8981 -9.8981 -9.7495 -9.7495 0.9437 0.9437 1.2953 1.2953 1.7923 1.7923 2.4037 2.4037 3.0979 3.0979 3.1954 3.1954 3.8293 3.8293 3.9971 3.9971 4.3073 4.3073 4.5600 4.5600 4.8003 4.8003 4.9454 4.9454 5.1399 5.1399 5.4512 5.4512 5.6107 5.6107 5.7311 5.7311 6.1982 6.1982 6.7913 6.7913 13.4230 13.4230 14.0770 14.0770 14.6657 14.6657 14.9914 14.9914 15.8016 15.8016 k = 0.5797 0.1430 0.3317 ( 3403 PWs) bands (ev): -11.6830 -11.6830 -11.3391 -11.3391 -11.0476 -11.0476 -10.6420 -10.6420 -9.8900 -9.8900 -9.7466 -9.7466 0.9960 0.9960 1.3158 1.3158 1.7747 1.7747 2.3712 2.3712 3.0754 3.0754 3.1922 3.1922 3.8187 3.8187 4.0083 4.0083 4.2893 4.2893 4.5364 4.5364 4.8000 4.8000 4.9487 4.9487 5.1506 5.1506 5.4534 5.4534 5.6054 5.6054 5.7253 5.7253 6.2306 6.2306 6.7952 6.7952 13.4174 13.4174 14.1241 14.1241 14.6448 14.6448 15.0067 15.0067 15.7521 15.7521 k = 0.5683 0.1402 0.3457 ( 3402 PWs) bands (ev): -11.6832 -11.6832 -11.3271 -11.3271 -11.0394 -11.0394 -10.6734 -10.6734 -9.8827 -9.8827 -9.7444 -9.7444 1.0486 1.0486 1.3341 1.3341 1.7522 1.7522 2.3440 2.3440 3.0532 3.0532 3.1891 3.1891 3.8121 3.8121 4.0197 4.0197 4.2718 4.2718 4.5140 4.5140 4.8000 4.8000 4.9525 4.9525 5.1597 5.1597 5.4558 5.4558 5.6007 5.6007 5.7199 5.7199 6.2599 6.2599 6.7983 6.7983 13.4116 13.4116 14.1659 14.1659 14.6290 14.6290 15.0215 15.0215 15.7069 15.7069 k = 0.5569 0.1374 0.3597 ( 3400 PWs) bands (ev): -11.6839 -11.6839 -11.3164 -11.3164 -11.0284 -11.0284 -10.7040 -10.7040 -9.8763 -9.8763 -9.7428 -9.7428 1.1008 1.1008 1.3491 1.3491 1.7260 1.7260 2.3221 2.3221 3.0321 3.0321 3.1864 3.1864 3.8084 3.8084 4.0311 4.0311 4.2553 4.2553 4.4934 4.4934 4.8000 4.8000 4.9563 4.9563 5.1672 5.1672 5.4583 5.4583 5.5968 5.5968 5.7151 5.7151 6.2856 6.2856 6.8006 6.8006 13.4061 13.4061 14.2011 14.2011 14.6187 14.6187 15.0350 15.0350 15.6670 15.6670 k = 0.5455 0.1346 0.3738 ( 3402 PWs) bands (ev): -11.6848 -11.6848 -11.3076 -11.3076 -11.0151 -11.0151 -10.7331 -10.7331 -9.8708 -9.8708 -9.7416 -9.7416 1.1519 1.1519 1.3598 1.3598 1.6975 1.6975 2.3051 2.3051 3.0132 3.0132 3.1841 3.1841 3.8068 3.8068 4.0420 4.0420 4.2401 4.2401 4.4754 4.4754 4.8001 4.8001 4.9598 4.9598 5.1731 5.1731 5.4607 5.4607 5.5935 5.5935 5.7109 5.7109 6.3073 6.3073 6.8022 6.8022 13.4012 13.4012 14.2291 14.2291 14.6135 14.6135 15.0465 15.0465 15.6333 15.6333 k = 0.5342 0.1318 0.3878 ( 3392 PWs) bands (ev): -11.6857 -11.6857 -11.3009 -11.3009 -11.0004 -11.0004 -10.7598 -10.7598 -9.8664 -9.8664 -9.7408 -9.7408 1.2010 1.2010 1.3646 1.3646 1.6694 1.6694 2.2926 2.2926 2.9975 2.9975 3.1823 3.1823 3.8064 3.8064 4.0520 4.0520 4.2268 4.2268 4.4606 4.4606 4.8003 4.8003 4.9627 4.9627 5.1776 5.1776 5.4628 5.4628 5.5910 5.5910 5.7075 5.7075 6.3246 6.3246 6.8032 6.8032 13.3971 13.3971 14.2498 14.2498 14.6124 14.6124 15.0555 15.0555 15.6066 15.6066 k = 0.5228 0.1290 0.4019 ( 3389 PWs) bands (ev): -11.6864 -11.6864 -11.2961 -11.2961 -10.9863 -10.9863 -10.7824 -10.7824 -9.8632 -9.8632 -9.7403 -9.7403 1.2465 1.2465 1.3617 1.3617 1.6451 1.6451 2.2841 2.2841 2.9856 2.9856 3.1810 3.1810 3.8067 3.8067 4.0603 4.0603 4.2161 4.2161 4.4496 4.4496 4.8004 4.8004 4.9649 4.9649 5.1808 5.1808 5.4645 5.4645 5.5891 5.5891 5.7049 5.7049 6.3373 6.3373 6.8038 6.8038 13.3941 13.3941 14.2636 14.2636 14.6139 14.6139 15.0618 15.0618 15.5873 15.5873 k = 0.5114 0.1262 0.4159 ( 3383 PWs) bands (ev): -11.6869 -11.6869 -11.2933 -11.2933 -10.9754 -10.9754 -10.7983 -10.7983 -9.8613 -9.8613 -9.7400 -9.7400 1.2857 1.2857 1.3502 1.3502 1.6284 1.6284 2.2792 2.2792 2.9783 2.9783 3.1802 3.1802 3.8071 3.8071 4.0659 4.0659 4.2090 4.2090 4.4429 4.4429 4.8005 4.8005 4.9663 4.9663 5.1827 5.1827 5.4656 5.4656 5.5880 5.5880 5.7034 5.7034 6.3450 6.3450 6.8041 6.8041 13.3923 13.3923 14.2713 14.2713 14.6158 14.6158 15.0654 15.0654 15.5758 15.5758 k = 0.5000 0.1234 0.4300 ( 3376 PWs) bands (ev): -11.6871 -11.6871 -11.2924 -11.2924 -10.9712 -10.9712 -10.8041 -10.8041 -9.8606 -9.8606 -9.7400 -9.7400 1.3080 1.3080 1.3375 1.3375 1.6224 1.6224 2.2776 2.2776 2.9758 2.9758 3.1799 3.1799 3.8073 3.8073 4.0679 4.0679 4.2065 4.2065 4.4406 4.4406 4.8005 4.8005 4.9668 4.9668 5.1833 5.1833 5.4660 5.4660 5.5876 5.5876 5.7028 5.7028 6.3476 6.3476 6.8042 6.8042 13.3917 13.3917 14.2738 14.2738 14.6166 14.6166 15.0666 15.0666 15.5720 15.5720 k = 0.5000 0.1234 0.4300 ( 3376 PWs) bands (ev): -11.6871 -11.6871 -11.2924 -11.2924 -10.9712 -10.9712 -10.8041 -10.8041 -9.8606 -9.8606 -9.7400 -9.7400 1.3080 1.3080 1.3375 1.3375 1.6224 1.6224 2.2776 2.2776 2.9758 2.9758 3.1799 3.1799 3.8073 3.8073 4.0679 4.0679 4.2065 4.2065 4.4406 4.4406 4.8005 4.8005 4.9668 4.9668 5.1833 5.1833 5.4660 5.4660 5.5876 5.5876 5.7028 5.7028 6.3476 6.3476 6.8042 6.8042 13.3917 13.3917 14.2738 14.2738 14.6166 14.6166 15.0666 15.0666 15.5720 15.5720 k = 0.5046 0.1049 0.4300 ( 3384 PWs) bands (ev): -11.6865 -11.6865 -11.2918 -11.2918 -10.9707 -10.9707 -10.8037 -10.8037 -9.8606 -9.8606 -9.7399 -9.7399 1.3088 1.3088 1.3378 1.3378 1.6225 1.6225 2.2776 2.2776 2.9756 2.9756 3.1803 3.1803 3.8055 3.8055 4.0659 4.0659 4.2035 4.2035 4.4404 4.4404 4.7987 4.7987 4.9647 4.9647 5.1828 5.1828 5.4634 5.4634 5.5891 5.5891 5.7022 5.7022 6.3475 6.3475 6.8042 6.8042 13.3932 13.3932 14.2755 14.2755 14.6188 14.6188 15.0699 15.0699 15.5752 15.5752 k = 0.5091 0.0864 0.4300 ( 3388 PWs) bands (ev): -11.6847 -11.6847 -11.2902 -11.2902 -10.9692 -10.9692 -10.8023 -10.8023 -9.8606 -9.8606 -9.7397 -9.7397 1.3113 1.3113 1.3389 1.3389 1.6230 1.6230 2.2778 2.2778 2.9746 2.9746 3.1814 3.1814 3.8003 3.8003 4.0598 4.0598 4.1944 4.1944 4.4395 4.4395 4.7932 4.7932 4.9582 4.9582 5.1813 5.1813 5.4560 5.4560 5.5931 5.5931 5.7005 5.7005 6.3470 6.3470 6.8041 6.8041 13.3979 13.3979 14.2805 14.2805 14.6254 14.6254 15.0798 15.0798 15.5849 15.5849 k = 0.5137 0.0678 0.4300 ( 3388 PWs) bands (ev): -11.6816 -11.6816 -11.2875 -11.2875 -10.9667 -10.9667 -10.8001 -10.8001 -9.8605 -9.8605 -9.7393 -9.7393 1.3153 1.3153 1.3406 1.3406 1.6238 1.6238 2.2779 2.2779 2.9731 2.9731 3.1833 3.1833 3.7916 3.7916 4.0497 4.0497 4.1796 4.1796 4.4378 4.4378 4.7842 4.7842 4.9475 4.9475 5.1790 5.1790 5.4446 5.4446 5.5988 5.5988 5.6977 5.6977 6.3462 6.3462 6.8039 6.8039 13.4056 13.4056 14.2887 14.2887 14.6364 14.6364 15.0963 15.0963 15.6010 15.6010 k = 0.5183 0.0493 0.4300 ( 3394 PWs) bands (ev): -11.6773 -11.6773 -11.2838 -11.2838 -10.9633 -10.9633 -10.7970 -10.7970 -9.8605 -9.8605 -9.7389 -9.7389 1.3209 1.3209 1.3430 1.3430 1.6249 1.6249 2.2781 2.2781 2.9708 2.9708 3.1858 3.1858 3.7794 3.7794 4.0358 4.0358 4.1596 4.1596 4.4347 4.4347 4.7719 4.7719 4.9326 4.9326 5.1761 5.1761 5.4303 5.4303 5.6055 5.6055 5.6938 5.6938 6.3450 6.3450 6.8035 6.8035 13.4164 13.4164 14.2999 14.2999 14.6518 14.6518 15.1192 15.1192 15.6234 15.6234 k = 0.5228 0.0308 0.4300 ( 3400 PWs) bands (ev): -11.6718 -11.6718 -11.2790 -11.2790 -10.9589 -10.9589 -10.7929 -10.7929 -9.8604 -9.8604 -9.7383 -9.7383 1.3281 1.3281 1.3461 1.3461 1.6262 1.6262 2.2783 2.2783 2.9678 2.9678 3.1889 3.1889 3.7637 3.7637 4.0181 4.0181 4.1349 4.1349 4.4299 4.4299 4.7566 4.7566 4.9135 4.9135 5.1729 5.1729 5.4136 5.4136 5.6123 5.6123 5.6889 5.6889 6.3433 6.3433 6.8029 6.8029 13.4300 13.4300 14.3138 14.3138 14.6716 14.6716 15.1483 15.1483 15.6521 15.6521 k = 0.5274 0.0123 0.4300 ( 3412 PWs) bands (ev): -11.6651 -11.6651 -11.2731 -11.2731 -10.9535 -10.9535 -10.7880 -10.7880 -9.8604 -9.8604 -9.7376 -9.7376 1.3368 1.3368 1.3498 1.3498 1.6278 1.6278 2.2783 2.2783 2.9638 2.9638 3.1925 3.1925 3.7447 3.7447 3.9969 3.9969 4.1060 4.1060 4.4228 4.4228 4.7384 4.7384 4.8904 4.8904 5.1696 5.1696 5.3952 5.3952 5.6189 5.6189 5.6831 5.6831 6.3410 6.3410 6.8020 6.8020 13.4463 13.4463 14.3302 14.3302 14.6958 14.6958 15.1834 15.1834 15.6868 15.6868 k = 0.5320-0.0062 0.4300 ( 3418 PWs) bands (ev): -11.6572 -11.6572 -11.2662 -11.2662 -10.9472 -10.9472 -10.7823 -10.7823 -9.8603 -9.8603 -9.7368 -9.7368 1.3472 1.3472 1.3541 1.3541 1.6297 1.6297 2.2782 2.2782 2.9587 2.9587 3.1964 3.1964 3.7223 3.7223 3.9724 3.9724 4.0733 4.0733 4.4132 4.4132 4.7179 4.7179 4.8635 4.8635 5.1666 5.1666 5.3756 5.3756 5.6249 5.6249 5.6764 5.6764 6.3381 6.3381 6.8007 6.8007 13.4653 13.4653 14.3487 14.3487 14.7244 14.7244 15.2241 15.2241 15.7274 15.7274 k = 0.5365-0.0247 0.4300 ( 3416 PWs) bands (ev): -11.6481 -11.6481 -11.2583 -11.2583 -10.9399 -10.9399 -10.7757 -10.7757 -9.8603 -9.8603 -9.7359 -9.7359 1.3586 1.3586 1.3593 1.3593 1.6317 1.6317 2.2778 2.2778 2.9524 2.9524 3.2003 3.2003 3.6969 3.6969 3.9449 3.9449 4.0373 4.0373 4.4011 4.4011 4.6951 4.6951 4.8328 4.8328 5.1642 5.1642 5.3552 5.3552 5.6301 5.6301 5.6689 5.6689 6.3344 6.3344 6.7990 6.7990 13.4867 13.4867 14.3689 14.3689 14.7573 14.7573 15.2703 15.2703 15.7737 15.7737 k = 0.5411-0.0432 0.4300 ( 3416 PWs) bands (ev): -11.6378 -11.6378 -11.2494 -11.2494 -10.9316 -10.9316 -10.7682 -10.7682 -9.8604 -9.8604 -9.7350 -9.7350 1.3642 1.3642 1.3724 1.3724 1.6339 1.6339 2.2769 2.2769 2.9446 2.9446 3.2040 3.2040 3.6686 3.6686 3.9147 3.9147 3.9982 3.9982 4.3862 4.3862 4.6705 4.6705 4.7987 4.7987 5.1628 5.1628 5.3343 5.3343 5.6344 5.6344 5.6608 5.6608 6.3299 6.3299 6.7967 6.7967 13.5103 13.5103 14.3905 14.3905 14.7945 14.7945 15.3215 15.3215 15.8254 15.8254 k = 0.5456-0.0617 0.4300 ( 3412 PWs) bands (ev): -11.6264 -11.6264 -11.2394 -11.2394 -10.9225 -10.9225 -10.7600 -10.7600 -9.8605 -9.8605 -9.7339 -9.7339 1.3700 1.3700 1.3873 1.3873 1.6362 1.6362 2.2754 2.2754 2.9351 2.9351 3.2070 3.2070 3.6380 3.6380 3.8821 3.8821 3.9564 3.9564 4.3686 4.3686 4.6443 4.6443 4.7614 4.7614 5.1625 5.1625 5.3133 5.3133 5.6373 5.6373 5.6524 5.6524 6.3243 6.3243 6.7937 6.7937 13.5359 13.5359 14.4131 14.4131 14.8358 14.8358 15.3773 15.3773 15.8824 15.8824 k = 0.5502-0.0802 0.4300 ( 3414 PWs) bands (ev): -11.6138 -11.6138 -11.2285 -11.2285 -10.9125 -10.9125 -10.7509 -10.7509 -9.8607 -9.8607 -9.7329 -9.7329 1.3762 1.3762 1.4035 1.4035 1.6386 1.6386 2.2732 2.2732 2.9237 2.9237 3.2088 3.2088 3.6056 3.6056 3.8475 3.8475 3.9122 3.9122 4.3487 4.3487 4.6167 4.6167 4.7212 4.7212 5.1636 5.1636 5.2926 5.2926 5.6370 5.6370 5.6455 5.6455 6.3177 6.3177 6.7900 6.7900 13.5633 13.5633 14.4364 14.4364 14.8810 14.8810 15.4374 15.4374 15.9442 15.9442 k = 0.5548-0.0987 0.4300 ( 3418 PWs) bands (ev): -11.6002 -11.6002 -11.2166 -11.2166 -10.9015 -10.9015 -10.7411 -10.7411 -9.8610 -9.8610 -9.7318 -9.7318 1.3827 1.3827 1.4212 1.4212 1.6411 1.6411 2.2701 2.2701 2.9101 2.9101 3.2083 3.2083 3.5723 3.5723 3.8115 3.8115 3.8658 3.8658 4.3266 4.3266 4.5880 4.5880 4.6785 4.6785 5.1661 5.1661 5.2724 5.2724 5.6298 5.6298 5.6439 5.6439 6.3100 6.3100 6.7855 6.7855 13.5923 13.5923 14.4601 14.4601 14.9300 14.9300 15.5013 15.5013 16.0105 16.0105 k = 0.5593-0.1172 0.4300 ( 3416 PWs) bands (ev): -11.5854 -11.5854 -11.2038 -11.2038 -10.8897 -10.8897 -10.7305 -10.7305 -9.8614 -9.8614 -9.7307 -9.7307 1.3895 1.3895 1.4402 1.4402 1.6437 1.6437 2.2659 2.2659 2.8941 2.8941 3.2045 3.2045 3.5393 3.5393 3.7745 3.7745 3.8175 3.8175 4.3027 4.3027 4.5584 4.5584 4.6337 4.6337 5.1702 5.1702 5.2531 5.2531 5.6196 5.6196 5.6436 5.6436 6.3010 6.3010 6.7800 6.7800 13.6227 13.6227 14.4839 14.4839 14.9824 14.9824 15.5685 15.5685 16.0810 16.0810 k = 0.5639-0.1357 0.4300 ( 3424 PWs) bands (ev): -11.5695 -11.5695 -11.1900 -11.1900 -10.8771 -10.8771 -10.7192 -10.7192 -9.8620 -9.8620 -9.7297 -9.7297 1.3964 1.3964 1.4603 1.4603 1.6463 1.6463 2.2603 2.2603 2.8752 2.8752 3.1958 3.1958 3.5080 3.5080 3.7372 3.7372 3.7676 3.7676 4.2774 4.2774 4.5281 4.5281 4.5872 4.5872 5.1758 5.1758 5.2349 5.2349 5.6084 5.6084 5.6427 5.6427 6.2907 6.2907 6.7736 6.7736 13.6541 13.6541 14.5077 14.5077 15.0379 15.0379 15.6386 15.6386 16.1553 16.1553 k = 0.5685-0.1542 0.4300 ( 3428 PWs) bands (ev): -11.5526 -11.5526 -11.1754 -11.1754 -10.8636 -10.8636 -10.7071 -10.7071 -9.8627 -9.8627 -9.7287 -9.7287 1.4033 1.4033 1.4815 1.4815 1.6489 1.6489 2.2531 2.2531 2.8535 2.8535 3.1804 3.1804 3.4799 3.4799 3.7001 3.7001 3.7165 3.7165 4.2511 4.2511 4.4974 4.4974 4.5396 4.5396 5.1829 5.1829 5.2181 5.2181 5.5966 5.5966 5.6410 5.6410 6.2790 6.2790 6.7661 6.7661 13.6865 13.6865 14.5311 14.5311 15.0962 15.0962 15.7110 15.7110 16.2330 16.2330 k = 0.5730-0.1727 0.4300 ( 3430 PWs) bands (ev): -11.5346 -11.5346 -11.1598 -11.1598 -10.8494 -10.8494 -10.6944 -10.6944 -9.8637 -9.8637 -9.7278 -9.7278 1.4103 1.4103 1.5035 1.5035 1.6518 1.6518 2.2442 2.2442 2.8286 2.8286 3.1571 3.1571 3.4561 3.4561 3.6595 3.6595 3.6691 3.6691 4.2240 4.2240 4.4663 4.4663 4.4917 4.4917 5.1909 5.1909 5.2032 5.2032 5.5843 5.5843 5.6383 5.6383 6.2659 6.2659 6.7576 6.7576 13.7196 13.7196 14.5541 14.5541 15.1569 15.1569 15.7854 15.7854 16.3135 16.3135 k = 0.5776-0.1912 0.4300 ( 3432 PWs) bands (ev): -11.5156 -11.5156 -11.1435 -11.1435 -10.8344 -10.8344 -10.6811 -10.6811 -9.8649 -9.8649 -9.7270 -9.7270 1.4170 1.4170 1.5259 1.5259 1.6552 1.6552 2.2332 2.2332 2.8003 2.8003 3.1254 3.1254 3.4363 3.4363 3.6071 3.6071 3.6350 3.6350 4.1964 4.1964 4.4347 4.4347 4.4447 4.4447 5.1874 5.1874 5.2027 5.2027 5.5714 5.5714 5.6348 5.6348 6.2513 6.2513 6.7479 6.7479 13.7532 13.7532 14.5765 14.5765 15.2197 15.2197 15.8612 15.8612 16.3963 16.3963 k = 0.5822-0.2097 0.4300 ( 3432 PWs) bands (ev): -11.4957 -11.4957 -11.1263 -11.1263 -10.8186 -10.8186 -10.6671 -10.6671 -9.8663 -9.8663 -9.7264 -9.7264 1.4234 1.4234 1.5479 1.5479 1.6597 1.6597 2.2200 2.2200 2.7688 2.7688 3.0858 3.0858 3.4192 3.4192 3.5518 3.5518 3.6068 3.6068 4.1682 4.1682 4.3956 4.3956 4.4071 4.4071 5.1753 5.1753 5.2136 5.2136 5.5581 5.5581 5.6305 5.6305 6.2352 6.2352 6.7370 6.7370 13.7871 13.7871 14.5982 14.5982 15.2842 15.2842 15.9380 15.9380 16.4810 16.4810 k = 0.5867-0.2282 0.4300 ( 3430 PWs) bands (ev): -11.4748 -11.4748 -11.1083 -11.1083 -10.8022 -10.8022 -10.6525 -10.6525 -9.8681 -9.8681 -9.7259 -9.7259 1.4294 1.4294 1.5682 1.5682 1.6663 1.6663 2.2043 2.2043 2.7339 2.7339 3.0397 3.0397 3.4025 3.4025 3.4951 3.4951 3.5847 3.5847 4.1388 4.1388 4.3522 4.3522 4.3771 4.3771 5.1643 5.1643 5.2261 5.2261 5.5443 5.5443 5.6255 5.6255 6.2176 6.2176 6.7249 6.7249 13.8211 13.8211 14.6190 14.6190 15.3500 15.3500 16.0151 16.0151 16.5467 16.5467 k = 0.5913-0.2467 0.4300 ( 3434 PWs) bands (ev): -11.4530 -11.4530 -11.0896 -11.0896 -10.7850 -10.7850 -10.6375 -10.6375 -9.8701 -9.8701 -9.7257 -9.7257 1.4347 1.4347 1.5851 1.5851 1.6768 1.6768 2.1861 2.1861 2.6959 2.6959 2.9885 2.9885 3.3843 3.3843 3.4373 3.4373 3.5693 3.5693 4.1075 4.1075 4.3125 4.3125 4.3489 4.3489 5.1547 5.1547 5.2397 5.2397 5.5302 5.5302 5.6200 5.6200 6.1985 6.1985 6.7116 6.7116 13.8550 13.8550 14.6389 14.6389 15.4167 15.4167 16.0922 16.0922 16.6100 16.6100 k = 0.5959-0.2652 0.4300 ( 3430 PWs) bands (ev): -11.4303 -11.4303 -11.0702 -11.0702 -10.7672 -10.7672 -10.6219 -10.6219 -9.8725 -9.8725 -9.7256 -9.7256 1.4392 1.4392 1.5965 1.5965 1.6929 1.6929 2.1652 2.1652 2.6549 2.6549 2.9335 2.9335 3.3638 3.3638 3.3785 3.3785 3.5607 3.5607 4.0735 4.0735 4.2781 4.2781 4.3227 4.3227 5.1462 5.1462 5.2542 5.2542 5.5158 5.5158 5.6140 5.6140 6.1778 6.1778 6.6970 6.6970 13.8888 13.8888 14.6579 14.6579 15.4841 15.4841 16.1686 16.1686 16.6716 16.6716 k = 0.6004-0.2837 0.4300 ( 3428 PWs) bands (ev): -11.4068 -11.4068 -11.0502 -11.0502 -10.7488 -10.7488 -10.6058 -10.6058 -9.8753 -9.8753 -9.7259 -9.7259 1.4427 1.4427 1.6023 1.6023 1.7146 1.7146 2.1418 2.1418 2.6112 2.6112 2.8757 2.8757 3.3184 3.3184 3.3419 3.3419 3.5576 3.5576 4.0360 4.0360 4.2504 4.2504 4.2987 4.2987 5.1387 5.1387 5.2694 5.2694 5.5013 5.5013 5.6076 5.6076 6.1557 6.1557 6.6812 6.6812 13.9223 13.9223 14.6758 14.6758 15.5516 15.5516 16.2439 16.2439 16.7309 16.7309 k = 0.6050-0.3022 0.4300 ( 3432 PWs) bands (ev): -11.3825 -11.3825 -11.0295 -11.0295 -10.7299 -10.7299 -10.5894 -10.5894 -9.8785 -9.8785 -9.7264 -9.7264 1.4450 1.4450 1.6033 1.6033 1.7407 1.7407 2.1158 2.1158 2.5654 2.5654 2.8160 2.8160 3.2579 3.2579 3.3187 3.3187 3.5588 3.5588 3.9953 3.9953 4.2297 4.2297 4.2775 4.2775 5.1321 5.1321 5.2851 5.2851 5.4868 5.4868 5.6011 5.6011 6.1320 6.1320 6.6640 6.6640 13.9553 13.9553 14.6926 14.6926 15.6191 15.6191 16.3175 16.3175 16.7873 16.7873 k = 0.6096-0.3207 0.4300 ( 3432 PWs) bands (ev): -11.3574 -11.3574 -11.0082 -11.0082 -10.7104 -10.7104 -10.5726 -10.5726 -9.8822 -9.8822 -9.7273 -9.7273 1.4458 1.4458 1.6009 1.6009 1.7696 1.7696 2.0874 2.0874 2.5178 2.5178 2.7549 2.7549 3.1966 3.1966 3.2955 3.2955 3.5629 3.5629 3.9520 3.9520 4.2155 4.2155 4.2594 4.2594 5.1261 5.1261 5.3008 5.3008 5.4726 5.4726 5.5946 5.5946 6.1069 6.1069 6.6456 6.6456 13.9878 13.9878 14.7083 14.7083 15.6862 15.6862 16.3888 16.3888 16.8402 16.8402 k = 0.6141-0.3392 0.4300 ( 3430 PWs) bands (ev): -11.3316 -11.3316 -10.9864 -10.9864 -10.6904 -10.6904 -10.5555 -10.5555 -9.8863 -9.8863 -9.7286 -9.7286 1.4450 1.4450 1.5958 1.5958 1.8002 1.8002 2.0569 2.0569 2.4690 2.4690 2.6931 2.6931 3.1348 3.1348 3.2729 3.2729 3.5689 3.5689 3.9070 3.9070 4.2070 4.2070 4.2448 4.2448 5.1204 5.1204 5.3159 5.3159 5.4594 5.4594 5.5882 5.5882 6.0805 6.0805 6.6259 6.6259 14.0197 14.0197 14.7228 14.7228 15.7525 15.7525 16.4573 16.4573 16.8889 16.8889 k = 0.6187-0.3577 0.4300 ( 3428 PWs) bands (ev): -11.3051 -11.3051 -10.9641 -10.9641 -10.6699 -10.6699 -10.5381 -10.5381 -9.8909 -9.8909 -9.7302 -9.7302 1.4422 1.4422 1.5884 1.5884 1.8317 1.8317 2.0247 2.0247 2.4199 2.4199 2.6310 2.6310 3.0726 3.0726 3.2513 3.2513 3.5762 3.5762 3.8614 3.8614 4.2033 4.2033 4.2340 4.2340 5.1150 5.1150 5.3293 5.3293 5.4483 5.4483 5.5821 5.5821 6.0526 6.0526 6.6049 6.6049 14.0510 14.0510 14.7361 14.7361 15.8178 15.8178 16.5223 16.5223 16.9330 16.9330 k = 0.6233-0.3762 0.4300 ( 3426 PWs) bands (ev): -11.2780 -11.2780 -10.9413 -10.9413 -10.6491 -10.6491 -10.5205 -10.5205 -9.8960 -9.8960 -9.7323 -9.7323 1.4372 1.4372 1.5788 1.5788 1.8631 1.8631 1.9911 1.9911 2.3713 2.3713 2.5690 2.5690 3.0104 3.0104 3.2309 3.2309 3.5844 3.5844 3.8160 3.8160 4.2039 4.2039 4.2270 4.2270 5.1095 5.1095 5.3388 5.3388 5.4412 5.4412 5.5765 5.5765 6.0235 6.0235 6.5827 6.5827 14.0815 14.0815 14.7482 14.7482 15.8819 15.8819 16.5834 16.5834 16.9718 16.9718 k = 0.6278-0.3947 0.4300 ( 3428 PWs) bands (ev): -11.2503 -11.2503 -10.9182 -10.9182 -10.6278 -10.6278 -10.5028 -10.5028 -9.9016 -9.9016 -9.7350 -9.7350 1.4298 1.4298 1.5671 1.5671 1.8934 1.8934 1.9565 1.9565 2.3244 2.3244 2.5076 2.5076 2.9484 2.9484 3.2116 3.2116 3.5932 3.5932 3.7713 3.7713 4.2079 4.2079 4.2240 4.2240 5.1037 5.1037 5.3419 5.3419 5.4409 5.4409 5.5714 5.5714 5.9933 5.9933 6.5593 6.5593 14.1112 14.1112 14.7590 14.7590 15.9444 15.9444 16.6398 16.6398 17.0050 17.0050 k = 0.6324-0.4132 0.4300 ( 3430 PWs) bands (ev): -11.2221 -11.2221 -10.8947 -10.8947 -10.6063 -10.6063 -10.4850 -10.4850 -9.9078 -9.9078 -9.7381 -9.7381 1.4197 1.4197 1.5533 1.5533 1.9186 1.9186 1.9236 1.9236 2.2813 2.2813 2.4471 2.4471 2.8868 2.8868 3.1937 3.1937 3.6026 3.6026 3.7279 3.7279 4.2150 4.2150 4.2248 4.2248 5.0975 5.0975 5.3374 5.3374 5.4483 5.4483 5.5670 5.5670 5.9620 5.9620 6.5347 6.5347 14.1402 14.1402 14.7685 14.7685 16.0052 16.0052 16.6912 16.6912 17.0323 17.0323 k = 0.6369-0.4317 0.4300 ( 3432 PWs) bands (ev): -11.1934 -11.1934 -10.8709 -10.8709 -10.5845 -10.5845 -10.4672 -10.4672 -9.9145 -9.9145 -9.7418 -9.7418 1.4069 1.4069 1.5374 1.5374 1.8859 1.8859 1.9426 1.9426 2.2449 2.2449 2.3879 2.3879 2.8258 2.8258 3.1770 3.1770 3.6124 3.6124 3.6862 3.6862 4.2246 4.2246 4.2292 4.2292 5.0908 5.0908 5.3270 5.3270 5.4617 5.4617 5.5633 5.5633 5.9298 5.9298 6.5089 6.5089 14.1684 14.1684 14.7768 14.7768 16.0641 16.0641 16.7369 16.7369 17.0536 17.0536 k = 0.6415-0.4502 0.4300 ( 3428 PWs) bands (ev): -11.1643 -11.1643 -10.8469 -10.8469 -10.5625 -10.5625 -10.4495 -10.4495 -9.9217 -9.9217 -9.7460 -9.7460 1.3911 1.3911 1.5195 1.5195 1.8508 1.8508 1.9540 1.9540 2.2198 2.2198 2.3301 2.3301 2.7659 2.7659 3.1615 3.1615 3.6222 3.6222 3.6470 3.6470 4.2357 4.2357 4.2376 4.2376 5.0836 5.0836 5.3132 5.3132 5.4788 5.4788 5.5603 5.5603 5.8969 5.8969 6.4820 6.4820 14.1959 14.1959 14.7838 14.7838 16.1209 16.1209 16.7766 16.7766 17.0688 17.0688 k = 0.6461-0.4687 0.4300 ( 3428 PWs) bands (ev): -11.1348 -11.1348 -10.8227 -10.8227 -10.5403 -10.5403 -10.4319 -10.4319 -9.9295 -9.9295 -9.7509 -9.7509 1.3724 1.3724 1.4994 1.4994 1.8162 1.8162 1.9510 1.9510 2.2105 2.2105 2.2743 2.2743 2.7075 2.7075 3.1474 3.1474 3.6070 3.6070 3.6357 3.6357 4.2468 4.2468 4.2508 4.2508 5.0758 5.0758 5.2974 5.2974 5.4980 5.4980 5.5578 5.5578 5.8637 5.8637 6.4540 6.4540 14.2225 14.2225 14.7896 14.7896 16.1753 16.1753 16.8099 16.8099 17.0781 17.0781 k = 0.6506-0.4872 0.4300 ( 3430 PWs) bands (ev): -11.1050 -11.1050 -10.7985 -10.7985 -10.5180 -10.5180 -10.4146 -10.4146 -9.9378 -9.9378 -9.7564 -9.7564 1.3509 1.3509 1.4772 1.4772 1.7822 1.7822 1.9330 1.9330 2.2171 2.2171 2.2205 2.2205 2.6510 2.6510 3.1345 3.1345 3.5719 3.5719 3.6471 3.6471 4.2597 4.2597 4.2662 4.2662 5.0676 5.0676 5.2805 5.2805 5.5183 5.5183 5.5555 5.5555 5.8305 5.8305 6.4251 6.4251 14.2485 14.2485 14.7941 14.7941 16.2274 16.2274 16.8366 16.8366 17.0818 17.0818 k = 0.6552-0.5057 0.4300 ( 3428 PWs) bands (ev): -11.0750 -11.0750 -10.7742 -10.7742 -10.4956 -10.4956 -10.3977 -10.3977 -9.9466 -9.9466 -9.7626 -9.7626 1.3269 1.3269 1.4529 1.4529 1.7489 1.7489 1.9045 1.9045 2.1691 2.1691 2.2347 2.2347 2.5975 2.5975 3.1230 3.1230 3.5388 3.5388 3.6596 3.6596 4.2745 4.2745 4.2830 4.2830 5.0590 5.0590 5.2631 5.2631 5.5393 5.5393 5.5531 5.5531 5.7980 5.7980 6.3953 6.3953 14.2737 14.2737 14.7973 14.7973 16.2770 16.2770 16.8567 16.8567 17.0802 17.0802 k = 0.6598-0.5242 0.4300 ( 3428 PWs) bands (ev): -11.0447 -11.0447 -10.7499 -10.7499 -10.4732 -10.4732 -10.3813 -10.3813 -9.9558 -9.9558 -9.7694 -9.7694 1.3005 1.3005 1.4265 1.4265 1.7163 1.7163 1.8704 1.8704 2.1203 2.1203 2.2571 2.2571 2.5484 2.5484 3.1129 3.1129 3.5080 3.5080 3.6729 3.6729 4.2907 4.2907 4.3009 4.3009 5.0505 5.0505 5.2453 5.2453 5.5487 5.5487 5.5614 5.5614 5.7670 5.7670 6.3646 6.3646 14.2983 14.2983 14.7992 14.7992 16.3240 16.3240 16.8701 16.8701 17.0740 17.0740 k = 0.6643-0.5427 0.4300 ( 3432 PWs) bands (ev): -11.0144 -11.0144 -10.7257 -10.7257 -10.4509 -10.4509 -10.3655 -10.3655 -9.9653 -9.9653 -9.7770 -9.7770 1.2723 1.2723 1.3983 1.3983 1.6845 1.6845 1.8343 1.8343 2.0742 2.0742 2.2777 2.2777 2.5072 2.5072 3.1042 3.1042 3.4798 3.4798 3.6868 3.6868 4.3077 4.3077 4.3196 4.3196 5.0423 5.0423 5.2275 5.2275 5.5426 5.5426 5.5829 5.5829 5.7389 5.7389 6.3332 6.3332 14.3222 14.3222 14.7999 14.7999 16.3683 16.3683 16.8771 16.8771 17.0638 17.0638 k = 0.6689-0.5612 0.4300 ( 3434 PWs) bands (ev): -10.9839 -10.9839 -10.7017 -10.7017 -10.4287 -10.4287 -10.3505 -10.3505 -9.9751 -9.9751 -9.7853 -9.7853 1.2426 1.2426 1.3684 1.3684 1.6534 1.6534 1.7980 1.7980 2.0311 2.0311 2.2884 2.2884 2.4801 2.4801 3.0968 3.0968 3.4543 3.4543 3.7011 3.7011 4.3251 4.3251 4.3390 4.3390 5.0347 5.0347 5.2098 5.2098 5.5321 5.5321 5.6045 5.6045 5.7154 5.7154 6.3013 6.3013 14.3455 14.3455 14.7993 14.7993 16.4100 16.4100 16.8780 16.8780 17.0503 17.0503 k = 0.6735-0.5797 0.4300 ( 3438 PWs) bands (ev): -10.9535 -10.9535 -10.6780 -10.6780 -10.4066 -10.4066 -10.3366 -10.3366 -9.9849 -9.9849 -9.7944 -9.7944 1.2119 1.2119 1.3369 1.3369 1.6229 1.6229 1.7627 1.7627 1.9908 1.9908 2.2807 2.2807 2.4743 2.4743 3.0909 3.0909 3.4315 3.4315 3.7157 3.7157 4.3423 4.3423 4.3587 4.3587 5.0283 5.0283 5.1923 5.1923 5.5159 5.5159 5.6260 5.6260 5.6982 5.6982 6.2689 6.2689 14.3683 14.3683 14.7975 14.7975 16.4489 16.4489 16.8734 16.8734 17.0341 17.0341 k = 0.6780-0.5982 0.4300 ( 3434 PWs) bands (ev): -10.9231 -10.9231 -10.6546 -10.6546 -10.3848 -10.3848 -10.3239 -10.3239 -9.9945 -9.9945 -9.8042 -9.8042 1.1807 1.1807 1.3043 1.3043 1.5931 1.5931 1.7292 1.7292 1.9535 1.9535 2.2556 2.2556 2.4883 2.4883 3.0862 3.0862 3.4116 3.4116 3.7303 3.7303 4.3588 4.3588 4.3786 4.3786 5.0236 5.0236 5.1753 5.1753 5.4932 5.4932 5.6471 5.6471 5.6877 5.6877 6.2362 6.2362 14.3906 14.3906 14.7945 14.7945 16.4851 16.4851 16.8636 16.8636 17.0161 17.0161 k = 0.6826-0.6167 0.4300 ( 3440 PWs) bands (ev): -10.8928 -10.8928 -10.6316 -10.6316 -10.3633 -10.3633 -10.3128 -10.3128 -10.0037 -10.0037 -9.8147 -9.8147 1.1494 1.1494 1.2707 1.2707 1.5642 1.5642 1.6977 1.6977 1.9192 1.9192 2.2211 2.2211 2.5133 2.5133 3.0827 3.0827 3.3948 3.3948 3.7448 3.7448 4.3741 4.3741 4.3985 4.3985 5.0209 5.0209 5.1588 5.1588 5.4650 5.4650 5.6676 5.6676 5.6833 5.6833 6.2036 6.2036 14.4124 14.4124 14.7903 14.7903 16.5185 16.5185 16.8494 16.8494 16.9970 16.9970 k = 0.6872-0.6352 0.4300 ( 3434 PWs) bands (ev): -10.8627 -10.8627 -10.6092 -10.6092 -10.3421 -10.3421 -10.3036 -10.3036 -10.0121 -10.0121 -9.8259 -9.8259 1.1184 1.1184 1.2366 1.2366 1.5362 1.5362 1.6685 1.6685 1.8879 1.8879 2.1832 2.1832 2.5429 2.5429 3.0803 3.0803 3.3813 3.3813 3.7589 3.7589 4.3877 4.3877 4.4180 4.4180 5.0209 5.0209 5.1430 5.1430 5.4328 5.4328 5.6833 5.6833 5.6874 5.6874 6.1712 6.1712 14.4338 14.4338 14.7849 14.7849 16.5491 16.5491 16.8314 16.8314 16.9777 16.9777 k = 0.6917-0.6537 0.4300 ( 3434 PWs) bands (ev): -10.8329 -10.8329 -10.5874 -10.5874 -10.3215 -10.3215 -10.2968 -10.2968 -10.0194 -10.0194 -9.8379 -9.8379 1.0881 1.0881 1.2024 1.2024 1.5092 1.5092 1.6416 1.6416 1.8594 1.8594 2.1448 2.1448 2.5735 2.5735 3.0788 3.0788 3.3714 3.3714 3.7723 3.7723 4.3995 4.3995 4.4369 4.4369 5.0237 5.0237 5.1279 5.1279 5.3979 5.3979 5.6867 5.6867 5.7059 5.7059 6.1394 6.1394 14.4549 14.4549 14.7784 14.7784 16.5767 16.5767 16.8101 16.8101 16.9589 16.9589 k = 0.6963-0.6722 0.4300 ( 3436 PWs) bands (ev): -10.8035 -10.8035 -10.5664 -10.5664 -10.3013 -10.3013 -10.2925 -10.2925 -10.0252 -10.0252 -9.8505 -9.8505 1.0588 1.0588 1.1683 1.1683 1.4836 1.4836 1.6173 1.6173 1.8337 1.8337 2.1075 2.1075 2.6030 2.6030 3.0781 3.0781 3.3655 3.3655 3.7846 3.7846 4.4091 4.4091 4.4551 4.4551 5.0296 5.0296 5.1138 5.1138 5.3617 5.3617 5.6922 5.6922 5.7230 5.7230 6.1089 6.1089 14.4755 14.4755 14.7707 14.7707 16.6013 16.6013 16.7862 16.7862 16.9413 16.9413 k = 0.7009-0.6908 0.4300 ( 3438 PWs) bands (ev): -10.7744 -10.7744 -10.5463 -10.5463 -10.2913 -10.2913 -10.2817 -10.2817 -10.0291 -10.0291 -9.8638 -9.8638 1.0307 1.0307 1.1348 1.1348 1.4595 1.4595 1.5954 1.5954 1.8108 1.8108 2.0719 2.0719 2.6303 2.6303 3.0780 3.0780 3.3641 3.3641 3.7955 3.7955 4.4168 4.4168 4.4721 4.4721 5.0386 5.0386 5.1008 5.1008 5.3252 5.3252 5.6991 5.6991 5.7380 5.7380 6.0801 6.0801 14.4959 14.4959 14.7619 14.7619 16.6226 16.6226 16.7603 16.7603 16.9259 16.9259 k = 0.7054-0.7093 0.4300 ( 3440 PWs) bands (ev): -10.7458 -10.7458 -10.5273 -10.5273 -10.2930 -10.2930 -10.2630 -10.2630 -10.0309 -10.0309 -9.8776 -9.8776 1.0043 1.0043 1.1022 1.1022 1.4371 1.4371 1.5760 1.5760 1.7906 1.7906 2.0384 2.0384 2.6541 2.6541 3.0782 3.0782 3.3674 3.3674 3.8046 3.8046 4.4226 4.4226 4.4879 4.4879 5.0502 5.0502 5.0888 5.0888 5.2892 5.2892 5.7069 5.7069 5.7500 5.7500 6.0540 6.0540 14.5160 14.5160 14.7520 14.7520 16.6404 16.6404 16.7330 16.7330 16.9134 16.9134 k = 0.7100-0.7278 0.4300 ( 3434 PWs) bands (ev): -10.7178 -10.7178 -10.5098 -10.5098 -10.2977 -10.2977 -10.2451 -10.2451 -10.0306 -10.0306 -9.8919 -9.8919 0.9796 0.9796 1.0707 1.0707 1.4166 1.4166 1.5590 1.5590 1.7730 1.7730 2.0075 2.0075 2.6739 2.6739 3.0787 3.0787 3.3759 3.3759 3.8116 3.8116 4.4270 4.4270 4.5021 4.5021 5.0632 5.0632 5.0781 5.0781 5.2553 5.2553 5.7154 5.7154 5.7582 5.7582 6.0319 6.0319 14.5357 14.5357 14.7411 14.7411 16.6546 16.6546 16.7049 16.7049 16.9047 16.9047 k = 0.7145-0.7463 0.4300 ( 3432 PWs) bands (ev): -10.6904 -10.6904 -10.4941 -10.4941 -10.3049 -10.3049 -10.2283 -10.2283 -10.0282 -10.0282 -9.9064 -9.9064 0.9568 0.9568 1.0407 1.0407 1.3982 1.3982 1.5446 1.5446 1.7580 1.7580 1.9792 1.9792 2.6888 2.6888 3.0791 3.0791 3.3897 3.3897 3.8161 3.8161 4.4305 4.4305 4.5144 4.5144 5.0685 5.0685 5.0754 5.0754 5.2258 5.2258 5.7241 5.7241 5.7615 5.7615 6.0149 6.0149 14.5552 14.5552 14.7292 14.7292 16.6649 16.6649 16.6765 16.6765 16.9002 16.9002 k = 0.7191-0.7648 0.4300 ( 3438 PWs) bands (ev): -10.6637 -10.6637 -10.4808 -10.4808 -10.3138 -10.3138 -10.2127 -10.2127 -10.0240 -10.0240 -9.9211 -9.9211 0.9362 0.9362 1.0124 1.0124 1.3821 1.3821 1.5326 1.5326 1.7455 1.7455 1.9538 1.9538 2.6987 2.6987 3.0794 3.0794 3.4090 3.4090 3.8179 3.8179 4.4335 4.4335 4.5248 4.5248 5.0604 5.0604 5.0812 5.0812 5.2062 5.2062 5.7329 5.7329 5.7588 5.7588 6.0041 6.0041 14.5743 14.5743 14.7163 14.7163 16.6478 16.6478 16.6721 16.6721 16.9000 16.9000 k = 0.7237-0.7833 0.4300 ( 3440 PWs) bands (ev): -10.6378 -10.6378 -10.4708 -10.4708 -10.3231 -10.3231 -10.1987 -10.1987 -10.0184 -10.0184 -9.9355 -9.9355 0.9178 0.9178 0.9860 0.9860 1.3682 1.3682 1.5231 1.5231 1.7357 1.7357 1.9313 1.9313 2.7036 2.7036 3.0792 3.0792 3.4334 3.4334 3.8165 3.8165 4.4367 4.4367 4.5329 4.5329 5.0535 5.0535 5.0740 5.0740 5.2030 5.2030 5.7415 5.7415 5.7505 5.7505 5.9997 5.9997 14.5931 14.5931 14.7025 14.7025 16.6199 16.6199 16.6763 16.6763 16.9040 16.9040 k = 0.7282-0.8018 0.4300 ( 3440 PWs) bands (ev): -10.6128 -10.6128 -10.4656 -10.4656 -10.3313 -10.3313 -10.1866 -10.1866 -10.0117 -10.0117 -9.9495 -9.9495 0.9018 0.9018 0.9617 0.9617 1.3568 1.3568 1.5162 1.5162 1.7283 1.7283 1.9119 1.9119 2.7035 2.7035 3.0786 3.0786 3.4626 3.4626 3.8120 3.8120 4.4405 4.4405 4.5386 4.5386 5.0473 5.0473 5.0543 5.0543 5.2159 5.2159 5.7362 5.7362 5.7509 5.7509 6.0011 6.0011 14.6115 14.6115 14.6878 14.6878 16.5929 16.5929 16.6788 16.6788 16.9115 16.9115 k = 0.7328-0.8203 0.4300 ( 3442 PWs) bands (ev): -10.5888 -10.5888 -10.4665 -10.4665 -10.3366 -10.3366 -10.1770 -10.1770 -10.0041 -10.0041 -9.9623 -9.9623 0.8884 0.8884 0.9396 0.9396 1.3480 1.3480 1.5117 1.5117 1.7235 1.7235 1.8957 1.8957 2.6990 2.6990 3.0773 3.0773 3.4960 3.4960 3.8041 3.8041 4.4452 4.4452 4.5419 4.5419 5.0267 5.0267 5.0434 5.0434 5.2385 5.2385 5.7192 5.7192 5.7591 5.7591 6.0071 6.0071 14.6294 14.6294 14.6722 14.6722 16.5670 16.5670 16.6805 16.6805 16.9218 16.9218 k = 0.7374-0.8388 0.4300 ( 3448 PWs) bands (ev): -10.5658 -10.5658 -10.4744 -10.4744 -10.3380 -10.3380 -10.1704 -10.1704 -9.9961 -9.9961 -9.9733 -9.9733 0.8775 0.8775 0.9199 0.9199 1.3418 1.3418 1.5097 1.5097 1.7211 1.7211 1.8826 1.8826 2.6904 2.6904 3.0751 3.0751 3.5331 3.5331 3.7930 3.7930 4.4511 4.4511 4.5427 4.5427 4.9977 4.9977 5.0395 5.0395 5.2664 5.2664 5.7001 5.7001 5.7672 5.7672 6.0163 6.0163 14.6468 14.6468 14.6560 14.6560 16.5426 16.5426 16.6825 16.6825 16.9341 16.9341 k = 0.7419-0.8573 0.4300 ( 3448 PWs) bands (ev): -10.5440 -10.5440 -10.4888 -10.4888 -10.3358 -10.3358 -10.1674 -10.1674 -9.9877 -9.9877 -9.9820 -9.9820 0.8693 0.8693 0.9027 0.9027 1.3382 1.3382 1.5102 1.5102 1.7211 1.7211 1.8727 1.8727 2.6782 2.6782 3.0721 3.0721 3.5732 3.5732 3.7788 3.7788 4.4583 4.4583 4.5410 4.5410 4.9684 4.9684 5.0362 5.0362 5.2972 5.2972 5.6802 5.6802 5.7749 5.7749 6.0277 6.0277 14.6388 14.6388 14.6637 14.6637 16.5200 16.5200 16.6854 16.6854 16.9478 16.9478 k = 0.2581-1.0460 0.5564 ( 3448 PWs) bands (ev): -10.5440 -10.5440 -10.4888 -10.4888 -10.3358 -10.3358 -10.1674 -10.1674 -9.9877 -9.9877 -9.9820 -9.9820 0.8693 0.8693 0.9027 0.9027 1.3382 1.3382 1.5102 1.5102 1.7211 1.7211 1.8727 1.8727 2.6782 2.6782 3.0721 3.0721 3.5732 3.5732 3.7788 3.7788 4.4583 4.4583 4.5410 4.5410 4.9684 4.9684 5.0362 5.0362 5.2972 5.2972 5.6802 5.6802 5.7749 5.7749 6.0277 6.0277 14.6388 14.6388 14.6637 14.6637 16.5200 16.5200 16.6854 16.6854 16.9478 16.9478 k = 0.2535-1.0273 0.5564 ( 3454 PWs) bands (ev): -10.5234 -10.5234 -10.5084 -10.5084 -10.3312 -10.3312 -10.1686 -10.1686 -9.9877 -9.9877 -9.9791 -9.9791 0.8637 0.8637 0.8880 0.8880 1.3373 1.3373 1.5133 1.5133 1.7236 1.7236 1.8661 1.8661 2.6628 2.6628 3.0681 3.0681 3.6161 3.6161 3.7615 3.7615 4.4667 4.4667 4.5368 4.5368 4.9395 4.9395 5.0332 5.0332 5.3303 5.3303 5.6605 5.6605 5.7822 5.7822 6.0406 6.0406 14.6208 14.6208 14.6799 14.6799 16.4991 16.4991 16.6901 16.6901 16.9625 16.9625 k = 0.2488-1.0086 0.5564 ( 3450 PWs) bands (ev): -10.5317 -10.5317 -10.5043 -10.5043 -10.3253 -10.3253 -10.1741 -10.1741 -9.9901 -9.9901 -9.9706 -9.9706 0.8609 0.8609 0.8760 0.8760 1.3392 1.3392 1.5189 1.5189 1.7284 1.7284 1.8627 1.8627 2.6448 2.6448 3.0631 3.0631 3.6608 3.6608 3.7416 3.7416 4.4762 4.4762 4.5301 4.5301 4.9120 4.9120 5.0303 5.0303 5.3646 5.3646 5.6418 5.6418 5.7890 5.7890 6.0543 6.0543 14.6021 14.6021 14.6953 14.6953 16.4803 16.4803 16.6969 16.6969 16.9777 16.9777 k = 0.2442-0.9900 0.5564 ( 3446 PWs) bands (ev): -10.5578 -10.5578 -10.4870 -10.4870 -10.3192 -10.3192 -10.1833 -10.1833 -9.9895 -9.9895 -9.9621 -9.9621 0.8610 0.8610 0.8667 0.8667 1.3437 1.3437 1.5272 1.5272 1.7355 1.7355 1.8626 1.8626 2.6246 2.6246 3.0571 3.0571 3.7067 3.7067 3.7198 3.7198 4.4867 4.4867 4.5212 4.5212 4.8861 4.8861 5.0272 5.0272 5.3997 5.3997 5.6247 5.6247 5.7952 5.7952 6.0686 6.0686 14.5827 14.5827 14.7098 14.7098 16.4639 16.4639 16.7062 16.7062 16.9931 16.9931 k = 0.2396-0.9713 0.5564 ( 3446 PWs) bands (ev): -10.5861 -10.5861 -10.4718 -10.4718 -10.3133 -10.3133 -10.1953 -10.1953 -9.9866 -9.9866 -9.9539 -9.9539 0.8602 0.8602 0.8639 0.8639 1.3511 1.3511 1.5379 1.5379 1.7447 1.7447 1.8656 1.8656 2.6025 2.6025 3.0500 3.0500 3.6953 3.6953 3.7544 3.7544 4.4977 4.4977 4.5102 4.5102 4.8622 4.8622 5.0237 5.0237 5.4353 5.4353 5.6096 5.6096 5.8008 5.8008 6.0831 6.0831 14.5627 14.5627 14.7231 14.7231 16.4498 16.4498 16.7183 16.7183 17.0082 17.0082 k = 0.2350-0.9526 0.5564 ( 3446 PWs) bands (ev): -10.6159 -10.6159 -10.4591 -10.4591 -10.3080 -10.3080 -10.2090 -10.2090 -9.9821 -9.9821 -9.9460 -9.9460 0.8567 0.8567 0.8695 0.8695 1.3611 1.3611 1.5512 1.5512 1.7559 1.7559 1.8717 1.8717 2.5791 2.5791 3.0421 3.0421 3.6699 3.6699 3.8022 3.8022 4.4966 4.4966 4.5096 4.5096 4.8404 4.8404 5.0197 5.0197 5.4712 5.4712 5.5965 5.5965 5.8059 5.8059 6.0977 6.0977 14.5421 14.5421 14.7353 14.7353 16.4381 16.4381 16.7332 16.7332 17.0227 17.0227 k = 0.2304-0.9339 0.5564 ( 3448 PWs) bands (ev): -10.6470 -10.6470 -10.4495 -10.4495 -10.3036 -10.3036 -10.2231 -10.2231 -9.9767 -9.9767 -9.9385 -9.9385 0.8559 0.8559 0.8780 0.8780 1.3738 1.3738 1.5671 1.5671 1.7690 1.7690 1.8808 1.8808 2.5546 2.5546 3.0332 3.0332 3.6435 3.6435 3.8502 3.8502 4.4817 4.4817 4.5211 4.5211 4.8208 4.8208 5.0151 5.0151 5.5071 5.5071 5.5856 5.5856 5.8103 5.8103 6.1123 6.1123 14.5210 14.5210 14.7461 14.7461 16.4288 16.4288 16.7512 16.7512 17.0363 17.0363 k = 0.2258-0.9153 0.5564 ( 3450 PWs) bands (ev): -10.6793 -10.6793 -10.4437 -10.4437 -10.3001 -10.3001 -10.2365 -10.2365 -9.9707 -9.9707 -9.9313 -9.9313 0.8579 0.8579 0.8891 0.8891 1.3890 1.3890 1.5855 1.5855 1.7838 1.7838 1.8926 1.8926 2.5295 2.5295 3.0236 3.0236 3.6165 3.6165 3.8983 3.8983 4.4650 4.4650 4.5324 4.5324 4.8037 4.8037 5.0101 5.0101 5.5428 5.5428 5.5768 5.5768 5.8141 5.8141 6.1269 6.1269 14.4992 14.4992 14.7555 14.7555 16.4217 16.4217 16.7724 16.7724 17.0486 17.0486 k = 0.2212-0.8966 0.5564 ( 3458 PWs) bands (ev): -10.7124 -10.7124 -10.4426 -10.4426 -10.2976 -10.2976 -10.2478 -10.2478 -9.9646 -9.9646 -9.9246 -9.9246 0.8626 0.8626 0.9028 0.9028 1.4068 1.4068 1.6063 1.6063 1.8002 1.8002 1.9069 1.9069 2.5042 2.5042 3.0134 3.0134 3.5895 3.5895 3.9459 3.9459 4.4468 4.4468 4.5431 4.5431 4.7892 4.7892 5.0047 5.0047 5.5690 5.5690 5.5791 5.5791 5.8172 5.8172 6.1413 6.1413 14.4769 14.4769 14.7633 14.7633 16.4168 16.4168 16.7967 16.7967 17.0592 17.0592 k = 0.2166-0.8779 0.5564 ( 3454 PWs) bands (ev): -10.7463 -10.7463 -10.4467 -10.4467 -10.2962 -10.2962 -10.2562 -10.2562 -9.9587 -9.9587 -9.9184 -9.9184 0.8701 0.8701 0.9190 0.9190 1.4270 1.4270 1.6297 1.6297 1.8178 1.8178 1.9235 1.9235 2.4791 2.4791 3.0026 3.0026 3.5629 3.5629 3.9929 3.9929 4.4273 4.4273 4.5528 4.5528 4.7775 4.7775 4.9991 4.9991 5.5644 5.5644 5.6137 5.6137 5.8198 5.8198 6.1556 6.1556 14.4541 14.4541 14.7694 14.7694 16.4139 16.4139 16.8242 16.8242 17.0681 17.0681 k = 0.2120-0.8592 0.5564 ( 3450 PWs) bands (ev): -10.7808 -10.7808 -10.4564 -10.4564 -10.2958 -10.2958 -10.2613 -10.2613 -9.9530 -9.9530 -9.9127 -9.9127 0.8801 0.8801 0.9376 0.9376 1.4494 1.4494 1.6554 1.6554 1.8366 1.8366 1.9420 1.9420 2.4547 2.4547 2.9915 2.9915 3.5373 3.5373 4.0390 4.0390 4.4068 4.4068 4.5612 4.5612 4.7687 4.7687 4.9934 4.9934 5.5607 5.5607 5.6481 5.6481 5.8218 5.8218 6.1697 6.1697 14.4307 14.4307 14.7738 14.7738 16.4128 16.4128 16.8547 16.8547 17.0750 17.0750 k = 0.2074-0.8405 0.5564 ( 3452 PWs) bands (ev): -10.8158 -10.8158 -10.4710 -10.4710 -10.2966 -10.2966 -10.2633 -10.2633 -9.9477 -9.9477 -9.9075 -9.9075 0.8926 0.8926 0.9584 0.9584 1.4740 1.4740 1.6834 1.6834 1.8564 1.8564 1.9618 1.9618 2.4318 2.4318 2.9802 2.9802 3.5131 3.5131 4.0838 4.0838 4.3855 4.3855 4.5678 4.5678 4.7629 4.7629 4.9880 4.9880 5.5581 5.5581 5.6819 5.6819 5.8233 5.8233 6.1837 6.1837 14.4068 14.4068 14.7763 14.7763 16.4131 16.4131 16.8882 16.8882 17.0800 17.0800 k = 0.2028-0.8219 0.5564 ( 3454 PWs) bands (ev): -10.8513 -10.8513 -10.4898 -10.4898 -10.2984 -10.2984 -10.2630 -10.2630 -9.9429 -9.9429 -9.9028 -9.9028 0.9075 0.9075 0.9812 0.9812 1.5006 1.5006 1.7137 1.7137 1.8768 1.8768 1.9822 1.9822 2.4112 2.4112 2.9687 2.9687 3.4910 3.4910 4.1268 4.1268 4.3641 4.3641 4.5726 4.5726 4.7602 4.7602 4.9830 4.9830 5.5565 5.5565 5.7149 5.7149 5.8244 5.8244 6.1975 6.1975 14.3823 14.3823 14.7769 14.7769 16.4146 16.4146 16.9240 16.9240 17.0835 17.0835 k = 0.1982-0.8032 0.5564 ( 3454 PWs) bands (ev): -10.8871 -10.8871 -10.5118 -10.5118 -10.3013 -10.3013 -10.2612 -10.2612 -9.9387 -9.9387 -9.8988 -9.8988 0.9244 0.9244 1.0057 1.0057 1.5289 1.5289 1.7459 1.7459 1.8979 1.8979 2.0026 2.0026 2.3938 2.3938 2.9573 2.9573 3.4715 3.4715 4.1673 4.1673 4.3432 4.3432 4.5755 4.5755 4.7604 4.7604 4.9787 4.9787 5.5555 5.5555 5.7465 5.7465 5.8254 5.8254 6.2111 6.2111 14.3573 14.3573 14.7756 14.7756 16.4168 16.4168 16.9614 16.9614 17.0866 17.0866 k = 0.1935-0.7845 0.5564 ( 3456 PWs) bands (ev): -10.9231 -10.9231 -10.5361 -10.5361 -10.3051 -10.3051 -10.2585 -10.2585 -9.9350 -9.9350 -9.8953 -9.8953 0.9433 0.9433 1.0318 1.0318 1.5588 1.5588 1.7800 1.7800 1.9194 1.9194 2.0217 2.0217 2.3812 2.3812 2.9459 2.9459 3.4552 3.4552 4.2037 4.2037 4.3246 4.3246 4.5765 4.5765 4.7632 4.7632 4.9753 4.9753 5.5549 5.5549 5.7760 5.7760 5.8272 5.8272 6.2245 6.2245 14.3317 14.3317 14.7723 14.7723 16.4195 16.4195 16.9974 16.9974 17.0919 17.0919 k = 0.1889-0.7658 0.5564 ( 3452 PWs) bands (ev): -10.9593 -10.9593 -10.5621 -10.5621 -10.3100 -10.3100 -10.2556 -10.2556 -9.9320 -9.9320 -9.8923 -9.8923 0.9638 0.9638 1.0590 1.0590 1.5899 1.5899 1.8153 1.8153 1.9413 1.9413 2.0387 2.0387 2.3747 2.3747 2.9347 2.9347 3.4427 3.4427 4.2307 4.2307 4.3135 4.3135 4.5761 4.5761 4.7682 4.7682 4.9729 4.9729 5.5545 5.5545 5.7995 5.7995 5.8336 5.8336 6.2378 6.2378 14.3056 14.3056 14.7671 14.7671 16.4221 16.4221 17.0247 17.0247 17.1070 17.1070 k = 0.1843-0.7471 0.5564 ( 3452 PWs) bands (ev): -10.9956 -10.9956 -10.5894 -10.5894 -10.3157 -10.3157 -10.2527 -10.2527 -9.9295 -9.9295 -9.8900 -9.8900 0.9857 0.9857 1.0870 1.0870 1.6219 1.6219 1.8513 1.8513 1.9635 1.9635 2.0530 2.0530 2.3757 2.3757 2.9239 2.9239 3.4346 3.4346 4.2377 4.2377 4.3207 4.3207 4.5744 4.5744 4.7749 4.7749 4.9718 4.9718 5.5541 5.5541 5.8097 5.8097 5.8519 5.8519 6.2508 6.2508 14.2788 14.2788 14.7598 14.7598 16.4243 16.4243 17.0354 17.0354 17.1396 17.1396 k = 0.1797-0.7285 0.5564 ( 3452 PWs) bands (ev): -11.0319 -11.0319 -10.6176 -10.6176 -10.3223 -10.3223 -10.2502 -10.2502 -9.9277 -9.9277 -9.8882 -9.8882 1.0085 1.0085 1.1154 1.1154 1.6546 1.6546 1.8866 1.8866 1.9861 1.9861 2.0649 2.0649 2.3852 2.3852 2.9136 2.9136 3.4313 3.4313 4.2266 4.2266 4.3441 4.3441 4.5719 4.5719 4.7829 4.7829 4.9721 4.9721 5.5537 5.5537 5.8113 5.8113 5.8775 5.8775 6.2637 6.2637 14.2514 14.2514 14.7507 14.7507 16.4257 16.4257 17.0340 17.0340 17.1852 17.1852 k = 0.1751-0.7098 0.5564 ( 3452 PWs) bands (ev): -11.0681 -11.0681 -10.6465 -10.6465 -10.3297 -10.3297 -10.2481 -10.2481 -9.9264 -9.9264 -9.8869 -9.8869 1.0319 1.0319 1.1436 1.1436 1.6874 1.6874 1.9190 1.9190 2.0092 2.0092 2.0769 2.0769 2.4031 2.4031 2.9043 2.9043 3.4331 3.4331 4.2094 4.2094 4.3722 4.3722 4.5689 4.5689 4.7917 4.7917 4.9739 4.9739 5.5530 5.5530 5.8101 5.8101 5.9043 5.9043 6.2764 6.2764 14.2233 14.2233 14.7396 14.7396 16.4258 16.4258 17.0264 17.0264 17.2377 17.2377 k = 0.1705-0.6911 0.5564 ( 3452 PWs) bands (ev): -11.1042 -11.1042 -10.6757 -10.6757 -10.3379 -10.3379 -10.2465 -10.2465 -9.9258 -9.9258 -9.8863 -9.8863 1.0555 1.0555 1.1713 1.1713 1.7201 1.7201 1.9448 1.9448 2.0330 2.0330 2.0936 2.0936 2.4284 2.4284 2.8962 2.8962 3.4401 3.4401 4.1909 4.1909 4.4001 4.4001 4.5655 4.5655 4.8010 4.8010 4.9774 4.9774 5.5520 5.5520 5.8079 5.8079 5.9308 5.9308 6.2888 6.2888 14.1946 14.1946 14.7265 14.7265 16.4242 16.4242 17.0151 17.0151 17.2942 17.2942 k = 0.1659-0.6724 0.5564 ( 3456 PWs) bands (ev): -11.1401 -11.1401 -10.7053 -10.7053 -10.3468 -10.3468 -10.2456 -10.2456 -9.9257 -9.9257 -9.8861 -9.8861 1.0786 1.0786 1.1978 1.1978 1.7522 1.7522 1.9612 1.9612 2.0576 2.0576 2.1192 2.1192 2.4600 2.4600 2.8900 2.8900 3.4525 3.4525 4.1728 4.1728 4.4263 4.4263 4.5620 4.5620 4.8107 4.8107 4.9825 4.9825 5.5507 5.5507 5.8050 5.8050 5.9566 5.9566 6.3010 6.3010 14.1653 14.1653 14.7116 14.7116 16.4207 16.4207 17.0010 17.0010 17.3538 17.3538 k = 0.1613-0.6538 0.5564 ( 3460 PWs) bands (ev): -11.1758 -11.1758 -10.7350 -10.7350 -10.3562 -10.3562 -10.2453 -10.2453 -9.9261 -9.9261 -9.8865 -9.8865 1.1007 1.1007 1.2225 1.2225 1.7832 1.7832 1.9688 1.9688 2.0833 2.0833 2.1545 2.1545 2.4967 2.4967 2.8864 2.8864 3.4701 3.4701 4.1557 4.1557 4.4505 4.4505 4.5585 4.5585 4.8204 4.8204 4.9893 4.9893 5.5490 5.5490 5.8016 5.8016 5.9814 5.9814 6.3130 6.3130 14.1352 14.1352 14.6949 14.6949 16.4147 16.4147 16.9843 16.9843 17.4156 17.4156 k = 0.1567-0.6351 0.5564 ( 3458 PWs) bands (ev): -11.2111 -11.2111 -10.7647 -10.7647 -10.3663 -10.3663 -10.2457 -10.2457 -9.9271 -9.9271 -9.8873 -9.8873 1.1213 1.1213 1.2450 1.2450 1.8127 1.8127 1.9711 1.9711 2.1105 2.1105 2.1971 2.1971 2.5374 2.5374 2.8860 2.8860 3.4926 3.4926 4.1401 4.1401 4.4724 4.4724 4.5552 4.5552 4.8302 4.8302 4.9977 4.9977 5.5469 5.5469 5.7979 5.7979 6.0053 6.0053 6.3247 6.3247 14.1045 14.1045 14.6763 14.6763 16.4061 16.4061 16.9653 16.9653 17.4790 17.4790 k = 0.1521-0.6164 0.5564 ( 3458 PWs) bands (ev): -11.2460 -11.2460 -10.7943 -10.7943 -10.3769 -10.3769 -10.2466 -10.2466 -9.9286 -9.9286 -9.8886 -9.8886 1.1397 1.1397 1.2647 1.2647 1.8400 1.8400 1.9714 1.9714 2.1393 2.1393 2.2445 2.2445 2.5814 2.5814 2.8898 2.8898 3.5196 3.5196 4.1262 4.1262 4.4921 4.4921 4.5521 4.5521 4.8398 4.8398 5.0076 5.0076 5.5444 5.5444 5.7940 5.7940 6.0281 6.0281 6.3361 6.3361 14.0730 14.0730 14.6559 14.6559 16.3946 16.3946 16.9439 16.9439 17.5432 17.5432 k = 0.1475-0.5977 0.5564 ( 3452 PWs) bands (ev): -11.2806 -11.2806 -10.8238 -10.8238 -10.3879 -10.3879 -10.2482 -10.2482 -9.9305 -9.9305 -9.8904 -9.8904 1.1553 1.1553 1.2814 1.2814 1.8646 1.8646 1.9722 1.9722 2.1702 2.1702 2.2951 2.2951 2.6281 2.6281 2.8983 2.8983 3.5506 3.5506 4.1143 4.1143 4.5097 4.5097 4.5493 4.5493 4.8493 4.8493 5.0188 5.0188 5.5416 5.5416 5.7899 5.7899 6.0498 6.0498 6.3472 6.3472 14.0408 14.0408 14.6337 14.6337 16.3799 16.3799 16.9202 16.9202 17.6070 17.6070 k = 0.1429-0.5790 0.5564 ( 3456 PWs) bands (ev): -11.3146 -11.3146 -10.8530 -10.8530 -10.3993 -10.3993 -10.2504 -10.2504 -9.9329 -9.9329 -9.8926 -9.8926 1.1677 1.1677 1.2946 1.2946 1.8859 1.8859 1.9747 1.9747 2.2035 2.2035 2.3479 2.3479 2.6771 2.6771 2.9122 2.9122 3.5852 3.5852 4.1046 4.1046 4.5255 4.5255 4.5470 4.5470 4.8586 4.8586 5.0310 5.0310 5.5383 5.5383 5.7858 5.7858 6.0705 6.0705 6.3580 6.3580 14.0079 14.0079 14.6099 14.6099 16.3620 16.3620 16.8941 16.8941 17.6686 17.6686 k = 0.1382-0.5604 0.5564 ( 3452 PWs) bands (ev): -11.3480 -11.3480 -10.8819 -10.8819 -10.4110 -10.4110 -10.2530 -10.2530 -9.9357 -9.9357 -9.8952 -9.8952 1.1765 1.1765 1.3044 1.3044 1.9031 1.9031 1.9797 1.9797 2.2396 2.2396 2.4021 2.4021 2.7282 2.7282 2.9320 2.9320 3.6228 3.6228 4.0971 4.0971 4.5395 4.5395 4.5456 4.5456 4.8677 4.8677 5.0439 5.0439 5.5348 5.5348 5.7816 5.7816 6.0901 6.0901 6.3683 6.3683 13.9743 13.9743 14.5843 14.5843 16.3407 16.3407 16.8657 16.8657 17.7248 17.7248 k = 0.1336-0.5417 0.5564 ( 3456 PWs) bands (ev): -11.3809 -11.3809 -10.9104 -10.9104 -10.4230 -10.4230 -10.2562 -10.2562 -9.9389 -9.9389 -9.8981 -9.8981 1.1816 1.1816 1.3108 1.3108 1.9159 1.9159 1.9875 1.9875 2.2789 2.2789 2.4574 2.4574 2.7812 2.7812 2.9578 2.9578 3.6628 3.6628 4.0917 4.0917 4.5435 4.5435 4.5537 4.5537 4.8766 4.8766 5.0574 5.0574 5.5311 5.5311 5.7775 5.7775 6.1087 6.1087 6.3783 6.3783 13.9400 13.9400 14.5572 14.5572 16.3159 16.3159 16.8349 16.8349 17.7696 17.7696 k = 0.1290-0.5230 0.5564 ( 3456 PWs) bands (ev): -11.4131 -11.4131 -10.9385 -10.9385 -10.4352 -10.4352 -10.2599 -10.2599 -9.9424 -9.9424 -9.9014 -9.9014 1.1829 1.1829 1.3138 1.3138 1.9240 1.9240 1.9980 1.9980 2.3214 2.3214 2.5135 2.5135 2.8361 2.8361 2.9896 2.9896 3.7046 3.7046 4.0887 4.0887 4.5433 4.5433 4.5660 4.5660 4.8853 4.8853 5.0711 5.0711 5.5272 5.5272 5.7735 5.7735 6.1261 6.1261 6.3878 6.3878 13.9051 13.9051 14.5284 14.5284 16.2878 16.2878 16.8018 16.8018 17.7941 17.7941 k = 0.1244-0.5043 0.5564 ( 3454 PWs) bands (ev): -11.4446 -11.4446 -10.9661 -10.9661 -10.4475 -10.4475 -10.2639 -10.2639 -9.9462 -9.9462 -9.9049 -9.9049 1.1807 1.1807 1.3138 1.3138 1.9275 1.9275 2.0109 2.0109 2.3673 2.3673 2.5701 2.5701 2.8926 2.8926 3.0270 3.0270 3.7475 3.7475 4.0877 4.0877 4.5437 4.5437 4.5781 4.5781 4.8938 4.8938 5.0848 5.0848 5.5231 5.5231 5.7697 5.7697 6.1425 6.1425 6.3968 6.3968 13.8695 13.8695 14.4981 14.4981 16.2563 16.2563 16.7665 16.7665 17.7689 17.7689 k = 0.1198-0.4856 0.5564 ( 3454 PWs) bands (ev): -11.4754 -11.4754 -10.9931 -10.9931 -10.4599 -10.4599 -10.2684 -10.2684 -9.9502 -9.9502 -9.9087 -9.9087 1.1753 1.1753 1.3111 1.3111 1.9267 1.9267 2.0257 2.0257 2.4162 2.4162 2.6271 2.6271 2.9507 2.9507 3.0695 3.0695 3.7911 3.7911 4.0886 4.0886 4.5450 4.5450 4.5901 4.5901 4.9022 4.9022 5.0983 5.0983 5.5190 5.5190 5.7663 5.7663 6.1579 6.1579 6.4054 6.4054 13.8334 13.8334 14.4664 14.4664 16.2216 16.2216 16.7291 16.7291 17.6650 17.6650 k = 0.1152-0.4670 0.5564 ( 3450 PWs) bands (ev): -11.5054 -11.5054 -11.0195 -11.0195 -10.4723 -10.4723 -10.2731 -10.2731 -9.9545 -9.9545 -9.9127 -9.9127 1.1671 1.1671 1.3060 1.3060 1.9221 1.9221 2.0417 2.0417 2.4678 2.4678 2.6844 2.6844 3.0104 3.0104 3.1166 3.1166 3.8346 3.8346 4.0913 4.0913 4.5474 4.5474 4.6024 4.6024 4.9106 4.9106 5.1114 5.1114 5.5148 5.5148 5.7632 5.7632 6.1722 6.1722 6.4134 6.4134 13.7968 13.7968 14.4333 14.4333 16.1840 16.1840 16.6895 16.6895 17.5592 17.5592 k = 0.1106-0.4483 0.5564 ( 3452 PWs) bands (ev): -11.5345 -11.5345 -11.0452 -11.0452 -10.4847 -10.4847 -10.2781 -10.2781 -9.9590 -9.9590 -9.9169 -9.9169 1.1564 1.1564 1.2988 1.2988 1.9143 1.9143 2.0584 2.0584 2.5217 2.5217 2.7420 2.7420 3.0715 3.0715 3.1677 3.1677 3.8775 3.8775 4.0953 4.0953 4.5510 4.5510 4.6151 4.6151 4.9190 4.9190 5.1240 5.1240 5.5108 5.5108 5.7607 5.7607 6.1855 6.1855 6.4208 6.4208 13.7597 13.7597 14.3989 14.3989 16.1435 16.1435 16.6481 16.6481 17.4526 17.4526 k = 0.1060-0.4296 0.5564 ( 3458 PWs) bands (ev): -11.5628 -11.5628 -11.0702 -11.0702 -10.4970 -10.4970 -10.2833 -10.2833 -9.9636 -9.9636 -9.9212 -9.9212 1.1439 1.1439 1.2900 1.2900 1.9039 1.9039 2.0750 2.0750 2.5774 2.5774 2.7998 2.7998 3.1338 3.1338 3.2219 3.2219 3.9192 3.9192 4.1005 4.1005 4.5558 4.5558 4.6285 4.6285 4.9275 4.9275 5.1360 5.1360 5.5068 5.5068 5.7589 5.7589 6.1978 6.1978 6.4277 6.4277 13.7222 13.7222 14.3633 14.3633 16.1006 16.1006 16.6048 16.6048 17.3460 17.3460 k = 0.1014-0.4109 0.5564 ( 3458 PWs) bands (ev): -11.5901 -11.5901 -11.0945 -11.0945 -10.5091 -10.5091 -10.2887 -10.2887 -9.9684 -9.9684 -9.9257 -9.9257 1.1298 1.1298 1.2798 1.2798 1.8915 1.8915 2.0912 2.0912 2.6344 2.6344 2.8578 2.8578 3.1972 3.1972 3.2788 3.2788 3.9593 3.9593 4.1066 4.1066 4.5619 4.5619 4.6426 4.6426 4.9361 4.9361 5.1475 5.1475 5.5031 5.5031 5.7578 5.7578 6.2092 6.2092 6.4339 6.4339 13.6845 13.6845 14.3267 14.3267 16.0555 16.0555 16.5599 16.5599 17.2399 17.2399 k = 0.0968-0.3923 0.5564 ( 3458 PWs) bands (ev): -11.6165 -11.6165 -11.1179 -11.1179 -10.5211 -10.5211 -10.2942 -10.2942 -9.9732 -9.9732 -9.9302 -9.9302 1.1146 1.1146 1.2686 1.2686 1.8774 1.8774 2.1064 2.1064 2.6923 2.6923 2.9161 2.9161 3.2614 3.2614 3.3378 3.3378 3.9972 3.9972 4.1131 4.1131 4.5692 4.5692 4.6574 4.6574 4.9449 4.9449 5.1585 5.1585 5.4995 5.4995 5.7575 5.7575 6.2196 6.2196 6.4395 6.4395 13.6466 13.6466 14.2891 14.2891 16.0085 16.0085 16.5137 16.5137 17.1347 17.1347 k = 0.0922-0.3736 0.5564 ( 3450 PWs) bands (ev): -11.6419 -11.6419 -11.1406 -11.1406 -10.5329 -10.5329 -10.2998 -10.2998 -9.9780 -9.9780 -9.9348 -9.9348 1.0987 1.0987 1.2565 1.2565 1.8623 1.8623 2.1203 2.1203 2.7505 2.7505 2.9745 2.9745 3.3263 3.3263 3.3981 3.3981 4.0328 4.0328 4.1199 4.1199 4.5778 4.5778 4.6727 4.6727 4.9539 4.9539 5.1691 5.1691 5.4961 5.4961 5.7583 5.7583 6.2291 6.2291 6.4444 6.4444 13.6087 13.6087 14.2507 14.2507 15.9600 15.9600 16.4664 16.4664 17.0308 17.0308 k = 0.0876-0.3549 0.5564 ( 3444 PWs) bands (ev): -11.6662 -11.6662 -11.1623 -11.1623 -10.5444 -10.5444 -10.3054 -10.3054 -9.9829 -9.9829 -9.9394 -9.9394 1.0823 1.0823 1.2439 1.2439 1.8464 1.8464 2.1327 2.1327 2.8087 2.8087 3.0330 3.0330 3.3914 3.3914 3.4594 3.4594 4.0656 4.0656 4.1266 4.1266 4.5873 4.5873 4.6884 4.6884 4.9631 4.9631 5.1795 5.1795 5.4931 5.4931 5.7603 5.7603 6.2377 6.2377 6.4487 6.4487 13.5709 13.5709 14.2118 14.2118 15.9104 15.9104 16.4182 16.4182 16.9287 16.9287 k = 0.0829-0.3362 0.5564 ( 3448 PWs) bands (ev): -11.6895 -11.6895 -11.1832 -11.1832 -10.5555 -10.5555 -10.3110 -10.3110 -9.9877 -9.9877 -9.9439 -9.9439 1.0657 1.0657 1.2310 1.2310 1.8301 1.8301 2.1436 2.1436 2.8663 2.8663 3.0914 3.0914 3.4566 3.4566 3.5211 3.5211 4.0957 4.0957 4.1333 4.1333 4.5977 4.5977 4.7040 4.7040 4.9724 4.9724 5.1899 5.1899 5.4903 5.4903 5.7635 5.7635 6.2455 6.2455 6.4522 6.4522 13.5333 13.5333 14.1724 14.1724 15.8601 15.8601 16.3694 16.3694 16.8288 16.8288 k = 0.0783-0.3175 0.5564 ( 3452 PWs) bands (ev): -11.7117 -11.7117 -11.2031 -11.2031 -10.5663 -10.5663 -10.3165 -10.3165 -9.9925 -9.9925 -9.9484 -9.9484 1.0491 1.0491 1.2179 1.2179 1.8137 1.8137 2.1529 2.1529 2.9229 2.9229 3.1495 3.1495 3.5215 3.5215 3.5828 3.5828 4.1228 4.1228 4.1398 4.1398 4.6085 4.6085 4.7191 4.7191 4.9818 4.9818 5.2005 5.2005 5.4878 5.4878 5.7681 5.7681 6.2524 6.2524 6.4551 6.4551 13.4961 13.4961 14.1328 14.1328 15.8095 15.8095 16.3204 16.3204 16.7314 16.7314 k = 0.0737-0.2989 0.5564 ( 3446 PWs) bands (ev): -11.7328 -11.7328 -11.2220 -11.2220 -10.5767 -10.5767 -10.3220 -10.3220 -9.9972 -9.9972 -9.9528 -9.9528 1.0328 1.0328 1.2049 1.2049 1.7974 1.7974 2.1606 2.1606 2.9783 2.9783 3.2070 3.2070 3.5858 3.5858 3.6439 3.6439 4.1430 4.1430 4.1504 4.1504 4.6196 4.6196 4.7332 4.7332 4.9910 4.9910 5.2116 5.2116 5.4856 5.4856 5.7743 5.7743 6.2585 6.2585 6.4573 6.4573 13.4596 13.4596 14.0933 14.0933 15.7589 15.7589 16.2714 16.2714 16.6370 16.6370 k = 0.0691-0.2802 0.5564 ( 3444 PWs) bands (ev): -11.7528 -11.7528 -11.2399 -11.2399 -10.5866 -10.5866 -10.3273 -10.3273 -10.0018 -10.0018 -9.9571 -9.9571 1.0168 1.0168 1.1921 1.1921 1.7813 1.7813 2.1669 2.1669 3.0319 3.0319 3.2637 3.2637 3.6493 3.6493 3.7041 3.7041 4.1500 4.1500 4.1716 4.1716 4.6305 4.6305 4.7457 4.7457 4.9999 4.9999 5.2233 5.2233 5.4838 5.4838 5.7819 5.7819 6.2639 6.2639 6.4588 6.4588 13.4238 13.4238 14.0541 14.0541 15.7089 15.7089 16.2230 16.2230 16.5459 16.5459 k = 0.0645-0.2615 0.5564 ( 3444 PWs) bands (ev): -11.7716 -11.7716 -11.2568 -11.2568 -10.5961 -10.5961 -10.3325 -10.3325 -10.0062 -10.0062 -9.9613 -9.9613 1.0014 1.0014 1.1795 1.1795 1.7658 1.7658 2.1718 2.1718 3.0834 3.0834 3.3191 3.3191 3.7116 3.7116 3.7630 3.7630 4.1554 4.1554 4.1920 4.1920 4.6411 4.6411 4.7562 4.7562 5.0082 5.0082 5.2358 5.2358 5.4824 5.4824 5.7912 5.7912 6.2685 6.2685 6.4597 6.4597 13.3889 13.3889 14.0154 14.0154 15.6597 15.6597 16.1753 16.1753 16.4586 16.4586 k = 0.0599-0.2428 0.5564 ( 3440 PWs) bands (ev): -11.7892 -11.7892 -11.2727 -11.2727 -10.6050 -10.6050 -10.3374 -10.3374 -10.0104 -10.0104 -9.9653 -9.9653 0.9866 0.9866 1.1675 1.1675 1.7508 1.7508 2.1755 2.1755 3.1325 3.1325 3.3730 3.3730 3.7725 3.7725 3.8200 3.8200 4.1603 4.1603 4.2108 4.2108 4.6512 4.6512 4.7643 4.7643 5.0156 5.0156 5.2490 5.2490 5.4815 5.4815 5.8019 5.8019 6.2725 6.2725 6.4599 6.4599 13.3553 13.3553 13.9776 13.9776 15.6118 15.6118 16.1289 16.1289 16.3754 16.3754 k = 0.0553-0.2241 0.5564 ( 3440 PWs) bands (ev): -11.8055 -11.8055 -11.2874 -11.2874 -10.6135 -10.6135 -10.3421 -10.3421 -10.0145 -10.0145 -9.9691 -9.9691 0.9726 0.9726 1.1559 1.1559 1.7366 1.7366 2.1782 2.1782 3.1788 3.1788 3.4249 3.4249 3.8315 3.8315 3.8750 3.8750 4.1651 4.1651 4.2282 4.2282 4.6606 4.6606 4.7697 4.7697 5.0219 5.0219 5.2627 5.2627 5.4813 5.4813 5.8140 5.8140 6.2757 6.2757 6.4596 6.4596 13.3230 13.3230 13.9409 13.9409 15.5657 15.5657 16.0839 16.0839 16.2967 16.2967 k = 0.0507-0.2055 0.5564 ( 3438 PWs) bands (ev): -11.8207 -11.8207 -11.3011 -11.3011 -10.6213 -10.6213 -10.3466 -10.3466 -10.0183 -10.0183 -9.9727 -9.9727 0.9594 0.9594 1.1450 1.1450 1.7232 1.7232 2.1801 2.1801 3.2221 3.2221 3.4744 3.4744 3.8885 3.8885 3.9274 3.9274 4.1697 4.1697 4.2442 4.2442 4.6695 4.6695 4.7722 4.7722 5.0267 5.0267 5.2766 5.2766 5.4817 5.4817 5.8272 5.8272 6.2784 6.2784 6.4588 6.4588 13.2923 13.2923 13.9056 13.9056 15.5216 15.5216 16.0410 16.0410 16.2228 16.2228 k = 0.0461-0.1868 0.5564 ( 3438 PWs) bands (ev): -11.8346 -11.8346 -11.3136 -11.3136 -10.6286 -10.6286 -10.3507 -10.3507 -10.0218 -10.0218 -9.9760 -9.9760 0.9472 0.9472 1.1348 1.1348 1.7108 1.7108 2.1812 2.1812 3.2621 3.2621 3.5211 3.5211 3.9431 3.9431 3.9770 3.9770 4.1744 4.1744 4.2591 4.2591 4.6779 4.6779 4.7719 4.7719 5.0301 5.0301 5.2902 5.2902 5.4831 5.4831 5.8413 5.8413 6.2805 6.2805 6.4575 6.4575 13.2634 13.2634 13.8721 13.8721 15.4799 15.4799 16.0003 16.0003 16.1540 16.1540 k = 0.0415-0.1681 0.5564 ( 3436 PWs) bands (ev): -11.8472 -11.8472 -11.3250 -11.3250 -10.6352 -10.6352 -10.3546 -10.3546 -10.0251 -10.0251 -9.9791 -9.9791 0.9359 0.9359 1.1254 1.1254 1.6993 1.6993 2.1818 2.1818 3.2986 3.2986 3.5645 3.5645 3.9948 3.9948 4.0233 4.0233 4.1793 4.1793 4.2727 4.2727 4.6858 4.6858 4.7690 4.7690 5.0319 5.0319 5.3031 5.3031 5.4856 5.4856 5.8559 5.8559 6.2821 6.2821 6.4558 6.4558 13.2365 13.2365 13.8407 13.8407 15.4410 15.4410 15.9623 15.9623 16.0908 16.0908 k = 0.0369-0.1494 0.5564 ( 3438 PWs) bands (ev): -11.8585 -11.8585 -11.3352 -11.3352 -10.6412 -10.6412 -10.3581 -10.3581 -10.0281 -10.0281 -9.9819 -9.9819 0.9257 0.9257 1.1168 1.1168 1.6889 1.6889 2.1819 2.1819 3.3314 3.3314 3.6043 3.6043 4.0434 4.0434 4.0661 4.0661 4.1843 4.1843 4.2850 4.2850 4.6934 4.6934 4.7638 4.7638 5.0320 5.0320 5.3146 5.3146 5.4893 5.4893 5.8705 5.8705 6.2832 6.2832 6.4539 6.4539 13.2118 13.2118 13.8116 13.8116 15.4053 15.4053 15.9273 15.9273 16.0333 16.0333 k = 0.0323-0.1308 0.5564 ( 3440 PWs) bands (ev): -11.8685 -11.8685 -11.3443 -11.3443 -10.6465 -10.6465 -10.3612 -10.3612 -10.0307 -10.0307 -9.9845 -9.9845 0.9166 0.9166 1.1091 1.1091 1.6796 1.6796 2.1818 2.1818 3.3605 3.3605 3.6400 3.6400 4.0883 4.0883 4.1052 4.1052 4.1898 4.1898 4.2957 4.2957 4.7008 4.7008 4.7566 4.7566 5.0308 5.0308 5.3244 5.3244 5.4940 5.4940 5.8849 5.8849 6.2840 6.2840 6.4518 6.4518 13.1895 13.1895 13.7852 13.7852 15.3730 15.3730 15.8955 15.8955 15.9819 15.9819 k = 0.0276-0.1121 0.5564 ( 3442 PWs) bands (ev): -11.8772 -11.8772 -11.3522 -11.3522 -10.6512 -10.6512 -10.3639 -10.3639 -10.0331 -10.0331 -9.9867 -9.9867 0.9086 0.9086 1.1024 1.1024 1.6714 1.6714 2.1814 2.1814 3.3857 3.3857 3.6714 3.6714 4.1285 4.1285 4.1401 4.1401 4.1962 4.1962 4.3048 4.3048 4.7079 4.7079 4.7480 4.7480 5.0284 5.0284 5.3324 5.3324 5.4996 5.4996 5.8985 5.8985 6.2844 6.2844 6.4496 6.4496 13.1698 13.1698 13.7616 13.7616 15.3444 15.3444 15.8674 15.8674 15.9368 15.9368 k = 0.0230-0.0934 0.5564 ( 3438 PWs) bands (ev): -11.8846 -11.8846 -11.3589 -11.3589 -10.6551 -10.6551 -10.3663 -10.3663 -10.0351 -10.0351 -9.9886 -9.9886 0.9018 0.9018 1.0966 1.0966 1.6645 1.6645 2.1810 2.1810 3.4071 3.4071 3.6983 3.6983 4.1618 4.1618 4.1710 4.1710 4.2047 4.2047 4.3118 4.3118 4.7148 4.7148 4.7386 4.7386 5.0251 5.0251 5.3384 5.3384 5.5057 5.5057 5.9109 5.9109 6.2845 6.2845 6.4475 6.4475 13.1528 13.1528 13.7413 13.7413 15.3197 15.3197 15.8432 15.8432 15.8983 15.8983 k = 0.0184-0.0747 0.5564 ( 3440 PWs) bands (ev): -11.8907 -11.8907 -11.3644 -11.3644 -10.6584 -10.6584 -10.3682 -10.3682 -10.0367 -10.0367 -9.9901 -9.9901 0.8962 0.8962 1.0919 1.0919 1.6588 1.6588 2.1805 2.1805 3.4245 3.4245 3.7203 3.7203 4.1834 4.1834 4.1987 4.1987 4.2185 4.2185 4.3166 4.3166 4.7210 4.7210 4.7292 4.7292 5.0214 5.0214 5.3428 5.3428 5.5118 5.5118 5.9217 5.9217 6.2845 6.2845 6.4456 6.4456 13.1387 13.1387 13.7243 13.7243 15.2993 15.2993 15.8230 15.8230 15.8665 15.8665 k = 0.0138-0.0560 0.5564 ( 3430 PWs) bands (ev): -11.8954 -11.8954 -11.3687 -11.3687 -10.6609 -10.6609 -10.3698 -10.3698 -10.0380 -10.0380 -9.9914 -9.9914 0.8919 0.8919 1.0881 1.0881 1.6543 1.6543 2.1800 2.1800 3.4380 3.4380 3.7376 3.7376 4.1938 4.1938 4.2219 4.2219 4.2370 4.2370 4.3192 4.3192 4.7196 4.7196 4.7275 4.7275 5.0178 5.0178 5.3458 5.3458 5.5172 5.5172 5.9305 5.9305 6.2844 6.2844 6.4440 6.4440 13.1276 13.1276 13.7109 13.7109 15.2832 15.2832 15.8071 15.8071 15.8415 15.8415 k = 0.0092-0.0374 0.5564 ( 3440 PWs) bands (ev): -11.8988 -11.8988 -11.3717 -11.3717 -10.6628 -10.6628 -10.3709 -10.3709 -10.0390 -10.0390 -9.9922 -9.9922 0.8887 0.8887 1.0855 1.0855 1.6511 1.6511 2.1797 2.1797 3.4477 3.4477 3.7499 3.7499 4.1991 4.1991 4.2394 4.2394 4.2536 4.2536 4.3200 4.3200 4.7126 4.7126 4.7318 4.7318 5.0147 5.0147 5.3477 5.3477 5.5214 5.5214 5.9370 5.9370 6.2842 6.2842 6.4428 6.4428 13.1196 13.1196 13.7012 13.7012 15.2716 15.2716 15.7956 15.7956 15.8237 15.8237 k = 0.0046-0.0187 0.5564 ( 3438 PWs) bands (ev): -11.9008 -11.9008 -11.3736 -11.3736 -10.6639 -10.6639 -10.3715 -10.3715 -10.0395 -10.0395 -9.9928 -9.9928 0.8868 0.8868 1.0839 1.0839 1.6491 1.6491 2.1795 2.1795 3.4535 3.4535 3.7572 3.7572 4.2018 4.2018 4.2508 4.2508 4.2646 4.2646 4.3197 4.3197 4.7079 4.7079 4.7346 4.7346 5.0127 5.0127 5.3487 5.3487 5.5242 5.5242 5.9410 5.9410 6.2841 6.2841 6.4420 6.4420 13.1148 13.1148 13.6953 13.6953 15.2645 15.2645 15.7887 15.7887 15.8129 15.8129 k = 0.0000 0.0000 0.5564 ( 3434 PWs) bands (ev): -11.9015 -11.9015 -11.3742 -11.3742 -10.6642 -10.6642 -10.3717 -10.3717 -10.0397 -10.0397 -9.9930 -9.9930 0.8862 0.8862 1.0833 1.0833 1.6485 1.6485 2.1794 2.1794 3.4554 3.4554 3.7597 3.7597 4.2027 4.2027 4.2548 4.2548 4.2683 4.2683 4.3194 4.3194 4.7062 4.7062 4.7356 4.7356 5.0119 5.0119 5.3490 5.3490 5.5251 5.5251 5.9424 5.9424 6.2841 6.2841 6.4418 6.4418 13.1132 13.1132 13.6933 13.6933 15.2622 15.2622 15.7864 15.7864 15.8093 15.8093 k = 0.0000 0.0000 0.5564 ( 3434 PWs) bands (ev): -11.9015 -11.9015 -11.3742 -11.3742 -10.6642 -10.6642 -10.3717 -10.3717 -10.0397 -10.0397 -9.9930 -9.9930 0.8862 0.8862 1.0833 1.0833 1.6485 1.6485 2.1794 2.1794 3.4554 3.4554 3.7597 3.7597 4.2027 4.2027 4.2548 4.2548 4.2683 4.2683 4.3194 4.3194 4.7062 4.7062 4.7356 4.7356 5.0119 5.0119 5.3490 5.3490 5.5251 5.5251 5.9424 5.9424 6.2841 6.2841 6.4418 6.4418 13.1132 13.1132 13.6933 13.6933 15.2622 15.2622 15.7864 15.7864 15.8093 15.8093 k = 0.0181 0.0045 0.5564 ( 3437 PWs) bands (ev): -11.9009 -11.9009 -11.3738 -11.3738 -10.6680 -10.6680 -10.3694 -10.3694 -10.0447 -10.0447 -9.9875 -9.9875 0.8838 0.8838 1.0873 1.0873 1.6470 1.6470 2.1820 2.1820 3.4518 3.4518 3.7597 3.7597 4.2004 4.2004 4.2331 4.2331 4.2890 4.2890 4.3209 4.3209 4.7022 4.7022 4.7410 4.7410 5.0126 5.0126 5.3516 5.3516 5.5248 5.5248 5.9418 5.9418 6.2735 6.2735 6.4512 6.4512 13.1143 13.1143 13.6946 13.6946 15.2590 15.2590 15.7627 15.7627 15.8295 15.8295 k = 0.0361 0.0089 0.5564 ( 3432 PWs) bands (ev): -11.8991 -11.8991 -11.3727 -11.3727 -10.6788 -10.6788 -10.3630 -10.3630 -10.0555 -10.0555 -9.9752 -9.9752 0.8773 0.8773 1.0984 1.0984 1.6427 1.6427 2.1897 2.1897 3.4415 3.4415 3.7592 3.7592 4.1933 4.1933 4.2055 4.2055 4.3145 4.3145 4.3250 4.3250 4.6946 4.6946 4.7529 4.7529 5.0145 5.0145 5.3590 5.3590 5.5240 5.5240 5.9401 5.9401 6.2473 6.2473 6.4740 6.4740 13.1178 13.1178 13.6983 13.6983 15.2495 15.2495 15.7274 15.7274 15.8546 15.8546 k = 0.0542 0.0134 0.5564 ( 3428 PWs) bands (ev): -11.8962 -11.8962 -11.3708 -11.3708 -10.6956 -10.6956 -10.3539 -10.3539 -10.0674 -10.0674 -9.9604 -9.9604 0.8680 0.8680 1.1154 1.1154 1.6360 1.6360 2.2021 2.2021 3.4254 3.4254 3.7576 3.7576 4.1715 4.1715 4.1879 4.1879 4.3307 4.3307 4.3399 4.3399 4.6871 4.6871 4.7675 4.7675 5.0174 5.0174 5.3712 5.3712 5.5226 5.5226 5.9373 5.9373 6.2132 6.2132 6.5026 6.5026 13.1235 13.1235 13.7044 13.7044 15.2342 15.2342 15.6884 15.6884 15.8767 15.8767 k = 0.0723 0.0178 0.5564 ( 3430 PWs) bands (ev): -11.8921 -11.8921 -11.3683 -11.3683 -10.7169 -10.7169 -10.3439 -10.3439 -10.0782 -10.0782 -9.9448 -9.9448 0.8573 0.8573 1.1366 1.1366 1.6275 1.6275 2.2186 2.2186 3.4048 3.4048 3.7535 3.7535 4.1404 4.1404 4.1763 4.1763 4.3372 4.3372 4.3654 4.3654 4.6810 4.6810 4.7836 4.7836 5.0208 5.0208 5.3877 5.3877 5.5207 5.5207 5.9334 5.9334 6.1756 6.1756 6.5329 6.5329 13.1315 13.1315 13.7128 13.7128 15.2137 15.2137 15.6468 15.6468 15.8954 15.8954 k = 0.0904 0.0223 0.5564 ( 3430 PWs) bands (ev): -11.8869 -11.8869 -11.3650 -11.3650 -10.7416 -10.7416 -10.3348 -10.3348 -10.0868 -10.0868 -9.9291 -9.9291 0.8463 0.8463 1.1607 1.1607 1.6178 1.6178 2.2384 2.2384 3.3809 3.3809 3.7459 3.7459 4.1079 4.1079 4.1640 4.1640 4.3436 4.3436 4.3914 4.3914 4.6767 4.6767 4.8009 4.8009 5.0242 5.0242 5.4080 5.4080 5.5183 5.5183 5.9284 5.9284 6.1368 6.1368 6.5629 6.5629 13.1417 13.1417 13.7235 13.7235 15.1890 15.1890 15.6028 15.6028 15.9108 15.9108 k = 0.1084 0.0267 0.5564 ( 3432 PWs) bands (ev): -11.8805 -11.8805 -11.3612 -11.3612 -10.7687 -10.7687 -10.3285 -10.3285 -10.0919 -10.0919 -9.9134 -9.9134 0.8358 0.8358 1.1866 1.1866 1.6077 1.6077 2.2607 2.2607 3.3549 3.3549 3.7339 3.7339 4.0749 4.0749 4.1510 4.1510 4.3493 4.3493 4.4179 4.4179 4.6745 4.6745 4.8191 4.8191 5.0272 5.0272 5.4315 5.4315 5.5154 5.5154 5.9223 5.9223 6.0983 6.0983 6.5917 6.5917 13.1540 13.1540 13.7362 13.7362 15.1609 15.1609 15.5570 15.5570 15.9230 15.9230 k = 0.1265 0.0312 0.5564 ( 3428 PWs) bands (ev): -11.8731 -11.8731 -11.3567 -11.3567 -10.7974 -10.7974 -10.3261 -10.3261 -10.0927 -10.0927 -9.8981 -9.8981 0.8262 0.8262 1.2133 1.2133 1.5982 1.5982 2.2847 2.2847 3.3281 3.3281 3.7170 3.7170 4.0421 4.0421 4.1376 4.1376 4.3539 4.3539 4.4452 4.4452 4.6744 4.6744 4.8380 4.8380 5.0290 5.0290 5.4574 5.4574 5.5121 5.5121 5.9152 5.9152 6.0611 6.0611 6.6188 6.6188 13.1683 13.1683 13.7508 13.7508 15.1303 15.1303 15.5096 15.5096 15.9321 15.9321 k = 0.1446 0.0357 0.5564 ( 3423 PWs) bands (ev): -11.8645 -11.8645 -11.3518 -11.3518 -10.8271 -10.8271 -10.3284 -10.3284 -10.0891 -10.0891 -9.8831 -9.8831 0.8180 0.8180 1.2398 1.2398 1.5900 1.5900 2.3096 2.3096 3.3014 3.3014 3.6947 3.6947 4.0103 4.0103 4.1242 4.1242 4.3573 4.3573 4.4730 4.4730 4.6765 4.6765 4.8576 4.8576 5.0291 5.0291 5.4846 5.4846 5.5086 5.5086 5.9071 5.9071 6.0263 6.0263 6.6440 6.6440 13.1845 13.1845 13.7671 13.7671 15.0981 15.0981 15.4609 15.4609 15.9382 15.9382 k = 0.1626 0.0401 0.5564 ( 3422 PWs) bands (ev): -11.8549 -11.8549 -11.3466 -11.3466 -10.8573 -10.8573 -10.3352 -10.3352 -10.0813 -10.0813 -9.8688 -9.8688 0.8113 0.8113 1.2649 1.2649 1.5844 1.5844 2.3346 2.3346 3.2757 3.2757 3.6672 3.6672 3.9799 3.9799 4.1108 4.1108 4.3592 4.3592 4.5010 4.5010 4.6806 4.6806 4.8778 4.8778 5.0271 5.0271 5.5024 5.5024 5.5146 5.5146 5.8981 5.8981 5.9953 5.9953 6.6671 6.6671 13.2025 13.2025 13.7848 13.7848 15.0649 15.0649 15.4114 15.4114 15.9417 15.9417 k = 0.1807 0.0446 0.5564 ( 3421 PWs) bands (ev): -11.8443 -11.8443 -11.3411 -11.3411 -10.8874 -10.8874 -10.3459 -10.3459 -10.0702 -10.0702 -9.8550 -9.8550 0.8064 0.8064 1.2875 1.2875 1.5824 1.5824 2.3588 2.3588 3.2519 3.2519 3.6347 3.6347 3.9515 3.9515 4.0977 4.0977 4.3599 4.3599 4.5290 4.5290 4.6865 4.6865 4.8983 4.8983 5.0224 5.0224 5.4988 5.4988 5.5412 5.5412 5.8881 5.8881 5.9691 5.9691 6.6880 6.6880 13.2221 13.2221 13.8037 13.8037 15.0316 15.0316 15.3613 15.3613 15.9426 15.9426 k = 0.1988 0.0490 0.5564 ( 3424 PWs) bands (ev): -11.8328 -11.8328 -11.3357 -11.3357 -10.9171 -10.9171 -10.3597 -10.3597 -10.0568 -10.0568 -9.8419 -9.8419 0.8033 0.8033 1.3061 1.3061 1.5852 1.5852 2.3815 2.3815 3.2307 3.2307 3.5978 3.5978 3.9252 3.9252 4.0849 4.0849 4.3594 4.3594 4.5564 4.5564 4.6941 4.6941 4.9191 4.9191 5.0149 5.0149 5.4941 5.4941 5.5667 5.5667 5.8774 5.8774 5.9493 5.9493 6.7066 6.7066 13.2430 13.2430 13.8235 13.8235 14.9986 14.9986 15.3112 15.3112 15.9411 15.9411 k = 0.2168 0.0535 0.5564 ( 3423 PWs) bands (ev): -11.8204 -11.8204 -11.3305 -11.3305 -10.9459 -10.9459 -10.3759 -10.3759 -10.0419 -10.0419 -9.8294 -9.8294 0.8020 0.8020 1.3197 1.3197 1.5937 1.5937 2.4018 2.4018 3.2127 3.2127 3.5573 3.5573 3.9014 3.9014 4.0726 4.0726 4.3579 4.3579 4.5826 4.5826 4.7030 4.7030 4.9400 4.9400 5.0045 5.0045 5.4890 5.4890 5.5889 5.5889 5.8659 5.8659 5.9373 5.9373 6.7230 6.7230 13.2650 13.2650 13.8438 13.8438 14.9665 14.9665 15.2615 15.2615 15.9376 15.9376 k = 0.2349 0.0580 0.5564 ( 3419 PWs) bands (ev): -11.8071 -11.8071 -11.3259 -11.3259 -10.9732 -10.9732 -10.3936 -10.3936 -10.0263 -10.0263 -9.8178 -9.8178 0.8027 0.8027 1.3280 1.3280 1.6081 1.6081 2.4191 2.4191 3.1986 3.1986 3.5139 3.5139 3.8801 3.8801 4.0608 4.0608 4.3556 4.3556 4.6068 4.6068 4.7128 4.7128 4.9604 4.9604 4.9921 4.9921 5.4838 5.4838 5.6065 5.6065 5.8539 5.8539 5.9341 5.9341 6.7372 6.7372 13.2877 13.2877 13.8644 13.8644 14.9355 14.9355 15.2128 15.2128 15.9324 15.9324 k = 0.2530 0.0624 0.5564 ( 3417 PWs) bands (ev): -11.7931 -11.7931 -11.3224 -11.3224 -10.9983 -10.9983 -10.4126 -10.4126 -10.0104 -10.0104 -9.8070 -9.8070 0.8053 0.8053 1.3311 1.3311 1.6277 1.6277 2.4329 2.4329 3.1885 3.1885 3.4686 3.4686 3.8616 3.8616 4.0495 4.0495 4.3527 4.3527 4.6282 4.6282 4.7234 4.7234 4.9720 4.9720 4.9866 4.9866 5.4786 5.4786 5.6189 5.6189 5.8413 5.8413 5.9400 5.9400 6.7493 6.7493 13.3107 13.3107 13.8849 13.8849 14.9060 14.9060 15.1658 15.1658 15.9258 15.9258 k = 0.2711 0.0669 0.5564 ( 3407 PWs) bands (ev): -11.7786 -11.7786 -11.3205 -11.3205 -11.0206 -11.0206 -10.4325 -10.4325 -9.9947 -9.9947 -9.7970 -9.7970 0.8098 0.8098 1.3301 1.3301 1.6512 1.6512 2.4428 2.4428 3.1824 3.1824 3.4220 3.4220 3.8461 3.8461 4.0390 4.0390 4.3494 4.3494 4.6454 4.6454 4.7343 4.7343 4.9591 4.9591 5.0046 5.0046 5.4733 5.4733 5.6263 5.6263 5.8284 5.8284 5.9546 5.9546 6.7594 6.7594 13.3335 13.3335 13.9050 13.9050 14.8780 14.8780 15.1215 15.1215 15.9180 15.9180 k = 0.2891 0.0713 0.5564 ( 3406 PWs) bands (ev): -11.7637 -11.7637 -11.3207 -11.3207 -11.0393 -11.0393 -10.4529 -10.4529 -9.9795 -9.9795 -9.7878 -9.7878 0.8162 0.8162 1.3260 1.3260 1.6770 1.6770 2.4491 2.4491 3.1799 3.1799 3.3751 3.3751 3.8340 3.8340 4.0291 4.0291 4.3458 4.3458 4.6570 4.6570 4.7453 4.7453 4.9449 4.9449 5.0247 5.0247 5.4683 5.4683 5.6298 5.6298 5.8151 5.8151 5.9761 5.9761 6.7676 6.7676 13.3556 13.3556 13.9244 13.9244 14.8511 14.8511 15.0808 15.0808 15.9096 15.9096 k = 0.3072 0.0758 0.5564 ( 3402 PWs) bands (ev): -11.7486 -11.7486 -11.3235 -11.3235 -11.0535 -11.0535 -10.4737 -10.4737 -9.9650 -9.9650 -9.7796 -9.7796 0.8245 0.8245 1.3196 1.3196 1.7037 1.7037 2.4519 2.4519 3.1803 3.1803 3.3286 3.3286 3.8257 3.8257 4.0199 4.0199 4.3421 4.3421 4.6614 4.6614 4.7562 4.7562 4.9336 4.9336 5.0445 5.0445 5.4636 5.4636 5.6304 5.6304 5.8015 5.8015 6.0027 6.0027 6.7741 6.7741 13.3762 13.3762 13.9429 13.9429 14.8249 14.8249 15.0452 15.0452 15.9008 15.9008 k = 0.3253 0.0802 0.5564 ( 3398 PWs) bands (ev): -11.7336 -11.7336 -11.3291 -11.3291 -11.0629 -11.0629 -10.4947 -10.4947 -9.9513 -9.9513 -9.7724 -9.7724 0.8346 0.8346 1.3118 1.3118 1.7299 1.7299 2.4519 2.4519 3.1825 3.1825 3.2833 3.2833 3.8214 3.8214 4.0116 4.0116 4.3385 4.3385 4.6576 4.6576 4.7666 4.7666 4.9271 4.9271 5.0635 5.0635 5.4593 5.4593 5.6293 5.6293 5.7880 5.7880 6.0328 6.0328 6.7790 6.7790 13.3946 13.3946 13.9605 13.9605 14.7988 14.7988 15.0160 15.0160 15.8919 15.8919 k = 0.3433 0.0847 0.5564 ( 3403 PWs) bands (ev): -11.7192 -11.7192 -11.3371 -11.3371 -11.0672 -11.0672 -10.5158 -10.5158 -9.9385 -9.9385 -9.7661 -9.7661 0.8465 0.8465 1.3029 1.3029 1.7543 1.7543 2.4499 2.4499 3.1848 3.1848 3.2406 3.2406 3.8213 3.8213 4.0040 4.0040 4.3349 4.3349 4.6458 4.6458 4.7765 4.7765 4.9259 4.9259 5.0815 5.0815 5.4556 5.4556 5.6271 5.6271 5.7746 5.7746 6.0648 6.0648 6.7824 6.7824 13.4099 13.4099 13.9773 13.9773 14.7722 14.7722 14.9943 14.9943 15.8833 15.8833 k = 0.3614 0.0892 0.5564 ( 3401 PWs) bands (ev): -11.7059 -11.7059 -11.3467 -11.3467 -11.0670 -11.0670 -10.5368 -10.5368 -9.9268 -9.9268 -9.7608 -9.7608 0.8601 0.8601 1.2933 1.2933 1.7756 1.7756 2.4470 2.4470 3.1807 3.1807 3.2066 3.2066 3.8255 3.8255 3.9972 3.9972 4.3316 4.3316 4.6278 4.6278 4.7857 4.7857 4.9291 4.9291 5.0984 5.0984 5.4527 5.4527 5.6242 5.6242 5.7615 5.7615 6.0977 6.0977 6.7847 6.7847 13.4212 13.4212 13.9935 13.9935 14.7451 14.7451 14.9806 14.9806 15.8748 15.8748 k = 0.3795 0.0936 0.5564 ( 3405 PWs) bands (ev): -11.6945 -11.6945 -11.3564 -11.3564 -11.0627 -11.0627 -10.5577 -10.5577 -9.9162 -9.9162 -9.7565 -9.7565 0.8752 0.8752 1.2834 1.2834 1.7928 1.7928 2.4438 2.4438 3.1529 3.1529 3.1985 3.1985 3.8334 3.8334 3.9913 3.9913 4.3285 4.3285 4.6062 4.6062 4.7938 4.7938 4.9353 4.9353 5.1138 5.1138 5.4506 5.4506 5.6208 5.6208 5.7489 5.7489 6.1307 6.1307 6.7860 6.7860 13.4275 13.4275 14.0095 14.0095 14.7177 14.7177 14.9750 14.9750 15.8659 15.8659 k = 0.3975 0.0981 0.5564 ( 3405 PWs) bands (ev): -11.6857 -11.6857 -11.3648 -11.3648 -11.0552 -11.0552 -10.5784 -10.5784 -9.9068 -9.9068 -9.7532 -9.7532 0.8919 0.8919 1.2731 1.2731 1.8048 1.8048 2.4413 2.4413 3.1195 3.1195 3.1984 3.1984 3.8444 3.8444 3.9863 3.9863 4.3258 4.3258 4.5838 4.5838 4.8008 4.8008 4.9428 4.9428 5.1276 5.1276 5.4493 5.4493 5.6168 5.6168 5.7372 5.7372 6.1631 6.1631 6.7865 6.7865 13.4280 13.4280 14.0259 14.0259 14.6909 14.6909 14.9765 14.9765 15.8545 15.8545 k = 0.5000 0.1234-0.1264 ( 3410 PWs) bands (ev): -11.8041 -11.8041 -11.6726 -11.6726 -10.5008 -10.5008 -10.3204 -10.3204 -10.1290 -10.1290 -9.8349 -9.8349 0.1397 0.1397 0.6639 0.6639 1.6749 1.6749 2.5156 2.5156 3.7201 3.7201 3.7419 3.7419 3.8506 3.8506 4.1961 4.1961 4.7129 4.7129 4.9282 4.9282 5.0477 5.0477 5.0737 5.0737 5.2413 5.2413 5.3086 5.3086 5.5022 5.5022 5.6967 5.6967 6.1120 6.1120 6.5821 6.5821 13.0353 13.0353 13.0506 13.0506 14.2616 14.2616 15.7856 15.7856 15.9021 15.9021 k = 0.5046 0.1048-0.1264 ( 3408 PWs) bands (ev): -11.8035 -11.8035 -11.6720 -11.6720 -10.5004 -10.5004 -10.3200 -10.3200 -10.1288 -10.1288 -9.8350 -9.8350 0.1405 0.1405 0.6644 0.6644 1.6754 1.6754 2.5161 2.5161 3.7174 3.7174 3.7390 3.7390 3.8500 3.8500 4.1956 4.1956 4.7111 4.7111 4.9274 4.9274 4.9865 4.9865 5.1306 5.1306 5.2422 5.2422 5.3078 5.3078 5.5016 5.5016 5.6967 5.6967 6.1123 6.1123 6.5823 6.5823 13.0365 13.0365 13.0525 13.0525 14.2643 14.2643 15.7882 15.7882 15.9055 15.9055 k = 0.5092 0.0862-0.1264 ( 3408 PWs) bands (ev): -11.8016 -11.8016 -11.6702 -11.6702 -10.4993 -10.4993 -10.3190 -10.3190 -10.1279 -10.1279 -9.8352 -9.8352 0.1430 0.1430 0.6659 0.6659 1.6768 1.6768 2.5177 2.5177 3.7093 3.7093 3.7303 3.7303 3.8480 3.8480 4.1942 4.1942 4.7059 4.7059 4.9092 4.9092 4.9269 4.9269 5.1888 5.1888 5.2472 5.2472 5.3072 5.3072 5.4996 5.4996 5.6968 5.6968 6.1132 6.1132 6.5828 6.5828 13.0401 13.0401 13.0582 13.0582 14.2726 14.2726 15.7959 15.7959 15.9155 15.9155 k = 0.5138 0.0676-0.1264 ( 3406 PWs) bands (ev): -11.7985 -11.7985 -11.6671 -11.6671 -10.4974 -10.4974 -10.3172 -10.3172 -10.1264 -10.1264 -9.8356 -9.8356 0.1472 0.1472 0.6684 0.6684 1.6791 1.6791 2.5204 2.5204 3.6957 3.6957 3.7161 3.7161 3.8446 3.8446 4.1921 4.1921 4.6972 4.6972 4.8316 4.8316 4.9223 4.9223 5.2186 5.2186 5.2620 5.2620 5.3193 5.3193 5.4963 5.4963 5.6969 5.6969 6.1145 6.1145 6.5836 6.5836 13.0461 13.0461 13.0677 13.0677 14.2863 14.2863 15.8087 15.8087 15.9320 15.9320 k = 0.5183 0.0490-0.1264 ( 3414 PWs) bands (ev): -11.7942 -11.7942 -11.6629 -11.6629 -10.4948 -10.4948 -10.3148 -10.3148 -10.1244 -10.1244 -9.8361 -9.8361 0.1531 0.1531 0.6719 0.6719 1.6823 1.6823 2.5241 2.5241 3.6766 3.6766 3.6967 3.6967 3.8395 3.8395 4.1896 4.1896 4.6850 4.6850 4.7510 4.7510 4.9168 4.9168 5.2224 5.2224 5.2654 5.2654 5.3626 5.3626 5.4919 5.4919 5.6972 5.6972 6.1163 6.1163 6.5848 6.5848 13.0543 13.0543 13.0807 13.0807 14.3054 14.3054 15.8264 15.8264 15.9549 15.9549 k = 0.5229 0.0304-0.1264 ( 3420 PWs) bands (ev): -11.7886 -11.7886 -11.6574 -11.6574 -10.4914 -10.4914 -10.3116 -10.3116 -10.1218 -10.1218 -9.8368 -9.8368 0.1606 0.1606 0.6763 0.6763 1.6864 1.6864 2.5289 2.5289 3.6518 3.6518 3.6722 3.6722 3.8325 3.8325 4.1871 4.1871 4.6670 4.6670 4.6710 4.6710 4.9091 4.9091 5.2170 5.2170 5.2592 5.2592 5.4184 5.4184 5.4867 5.4867 5.6978 5.6978 6.1183 6.1183 6.5863 6.5863 13.0647 13.0647 13.0973 13.0973 14.3298 14.3298 15.8489 15.8489 15.9840 15.9840 k = 0.5275 0.0118-0.1264 ( 3418 PWs) bands (ev): -11.7818 -11.7818 -11.6507 -11.6507 -10.4873 -10.4873 -10.3078 -10.3078 -10.1187 -10.1187 -9.8377 -9.8377 0.1698 0.1698 0.6817 0.6817 1.6913 1.6913 2.5346 2.5346 3.6216 3.6216 3.6429 3.6429 3.8232 3.8232 4.1850 4.1850 4.5846 4.5846 4.6505 4.6505 4.8990 4.8990 5.2043 5.2043 5.2534 5.2534 5.4745 5.4745 5.4815 5.4815 5.6987 5.6987 6.1206 6.1206 6.5880 6.5880 13.0772 13.0772 13.1172 13.1172 14.3594 14.3594 15.8761 15.8761 16.0189 16.0189 k = 0.5321-0.0067-0.1264 ( 3424 PWs) bands (ev): -11.7738 -11.7738 -11.6429 -11.6429 -10.4824 -10.4824 -10.3033 -10.3033 -10.1150 -10.1150 -9.8388 -9.8388 0.1806 0.1806 0.6879 0.6879 1.6971 1.6971 2.5413 2.5413 3.5859 3.5859 3.6092 3.6092 3.8115 3.8115 4.1834 4.1834 4.4997 4.4997 4.6281 4.6281 4.8859 4.8859 5.1849 5.1849 5.2500 5.2500 5.4745 5.4745 5.5306 5.5306 5.7000 5.7000 6.1230 6.1230 6.5900 6.5900 13.0917 13.0917 13.1402 13.1402 14.3940 14.3940 15.9077 15.9077 16.0592 16.0592 k = 0.5367-0.0253-0.1264 ( 3424 PWs) bands (ev): -11.7645 -11.7645 -11.6338 -11.6338 -10.4769 -10.4769 -10.2982 -10.2982 -10.1107 -10.1107 -9.8400 -9.8400 0.1931 0.1931 0.6950 0.6950 1.7037 1.7037 2.5488 2.5488 3.5449 3.5449 3.5713 3.5713 3.7970 3.7970 4.1826 4.1826 4.4143 4.4143 4.6027 4.6027 4.8693 4.8693 5.1606 5.1606 5.2483 5.2483 5.4684 5.4684 5.5833 5.5833 5.7017 5.7017 6.1253 6.1253 6.5922 6.5922 13.1079 13.1079 13.1661 13.1661 14.4335 14.4335 15.9433 15.9433 16.1042 16.1042 k = 0.5413-0.0439-0.1264 ( 3422 PWs) bands (ev): -11.7541 -11.7541 -11.6236 -11.6236 -10.4706 -10.4706 -10.2924 -10.2924 -10.1059 -10.1059 -9.8415 -9.8415 0.2071 0.2071 0.7029 0.7029 1.7111 1.7111 2.5572 2.5572 3.4991 3.4991 3.5294 3.5294 3.7792 3.7792 4.1827 4.1827 4.3290 4.3290 4.5745 4.5745 4.8490 4.8490 5.1328 5.1328 5.2474 5.2474 5.4628 5.4628 5.6331 5.6331 5.7038 5.7038 6.1276 6.1276 6.5947 6.5947 13.1258 13.1258 13.1948 13.1948 14.4776 14.4776 15.9828 15.9828 16.1529 16.1529 k = 0.5459-0.0625-0.1264 ( 3422 PWs) bands (ev): -11.7426 -11.7426 -11.6122 -11.6122 -10.4637 -10.4637 -10.2860 -10.2860 -10.1007 -10.1007 -9.8432 -9.8432 0.2228 0.2228 0.7116 0.7116 1.7193 1.7193 2.5663 2.5663 3.4486 3.4486 3.4839 3.4839 3.7574 3.7574 4.1835 4.1835 4.2446 4.2446 4.5437 4.5437 4.8248 4.8248 5.1025 5.1025 5.2470 5.2470 5.4578 5.4578 5.6797 5.6797 5.7065 5.7065 6.1298 6.1298 6.5973 6.5973 13.1450 13.1450 13.2258 13.2258 14.5262 14.5262 16.0256 16.0256 16.2040 16.2040 k = 0.5504-0.0811-0.1264 ( 3426 PWs) bands (ev): -11.7298 -11.7298 -11.5997 -11.5997 -10.4561 -10.4561 -10.2789 -10.2789 -10.0949 -10.0949 -9.8452 -9.8452 0.2399 0.2399 0.7209 0.7209 1.7281 1.7281 2.5761 2.5761 3.3940 3.3940 3.4350 3.4350 3.7307 3.7307 4.1615 4.1615 4.1857 4.1857 4.5107 4.5107 4.7965 4.7965 5.0702 5.0702 5.2468 5.2468 5.4538 5.4538 5.7077 5.7077 5.7247 5.7247 6.1319 6.1319 6.6001 6.6001 13.1655 13.1655 13.2591 13.2591 14.5789 14.5789 16.0713 16.0713 16.2552 16.2552 k = 0.5550-0.0997-0.1264 ( 3426 PWs) bands (ev): -11.7160 -11.7160 -11.5861 -11.5861 -10.4479 -10.4479 -10.2713 -10.2713 -10.0886 -10.0886 -9.8475 -9.8475 0.2586 0.2586 0.7308 0.7308 1.7375 1.7375 2.5864 2.5864 3.3357 3.3357 3.3831 3.3831 3.6976 3.6976 4.0830 4.0830 4.1874 4.1874 4.4760 4.4760 4.7641 4.7641 5.0365 5.0365 5.2468 5.2468 5.4508 5.4508 5.7111 5.7111 5.7643 5.7643 6.1341 6.1341 6.6030 6.6030 13.1871 13.1871 13.2944 13.2944 14.6357 14.6357 16.1193 16.1193 16.3030 16.3030 k = 0.5596-0.1183-0.1264 ( 3438 PWs) bands (ev): -11.7010 -11.7010 -11.5714 -11.5714 -10.4390 -10.4390 -10.2631 -10.2631 -10.0819 -10.0819 -9.8501 -9.8501 0.2788 0.2788 0.7413 0.7413 1.7474 1.7474 2.5972 2.5972 3.2741 3.2741 3.3285 3.3285 3.6566 3.6566 4.0097 4.0097 4.1891 4.1891 4.4403 4.4403 4.7280 4.7280 5.0017 5.0017 5.2468 5.2468 5.4488 5.4488 5.7142 5.7142 5.8006 5.8006 6.1364 6.1364 6.6060 6.6060 13.2095 13.2095 13.3313 13.3313 14.6960 14.6960 16.1691 16.1691 16.3423 16.3423 k = 0.5642-0.1369-0.1264 ( 3434 PWs) bands (ev): -11.6849 -11.6849 -11.5557 -11.5557 -10.4296 -10.4296 -10.2543 -10.2543 -10.0748 -10.0748 -9.8531 -9.8531 0.3005 0.3005 0.7522 0.7522 1.7579 1.7579 2.6081 2.6081 3.2097 3.2097 3.2715 3.2715 3.6061 3.6061 3.9435 3.9435 4.1899 4.1899 4.4046 4.4046 4.6885 4.6885 4.9663 4.9663 5.2468 5.2468 5.4478 5.4478 5.7172 5.7172 5.8331 5.8331 6.1391 6.1391 6.6092 6.6092 13.2325 13.2325 13.3698 13.3698 14.7598 14.7598 16.2199 16.2199 16.3685 16.3685 k = 0.5688-0.1554-0.1264 ( 3432 PWs) bands (ev): -11.6678 -11.6678 -11.5388 -11.5388 -10.4195 -10.4195 -10.2450 -10.2450 -10.0672 -10.0672 -9.8564 -9.8564 0.3236 0.3236 0.7634 0.7634 1.7686 1.7686 2.6192 2.6192 3.1431 3.1431 3.2124 3.2124 3.5453 3.5453 3.8856 3.8856 4.1879 4.1879 4.3707 4.3707 4.6459 4.6459 4.9307 4.9307 5.2467 5.2467 5.4478 5.4478 5.7201 5.7201 5.8612 5.8612 6.1424 6.1424 6.6123 6.6123 13.2560 13.2560 13.4096 13.4096 14.8266 14.8266 16.2708 16.2708 16.3791 16.3791 k = 0.5734-0.1740-0.1264 ( 3426 PWs) bands (ev): -11.6496 -11.6496 -11.5210 -11.5210 -10.4090 -10.4090 -10.2352 -10.2352 -10.0592 -10.0592 -9.8601 -9.8601 0.3480 0.3480 0.7749 0.7749 1.7795 1.7795 2.6300 2.6300 3.0746 3.0746 3.1517 3.1517 3.4751 3.4751 3.8354 3.8354 4.1803 4.1803 4.3416 4.3416 4.6008 4.6008 4.8950 4.8950 5.2466 5.2466 5.4485 5.4485 5.7230 5.7230 5.8848 5.8848 6.1467 6.1467 6.6156 6.6156 13.2797 13.2797 13.4505 13.4505 14.8963 14.8963 16.3210 16.3210 16.3756 16.3756 k = 0.5780-0.1926-0.1264 ( 3428 PWs) bands (ev): -11.6304 -11.6304 -11.5022 -11.5022 -10.3979 -10.3979 -10.2250 -10.2250 -10.0509 -10.0509 -9.8642 -9.8642 0.3738 0.3738 0.7865 0.7865 1.7903 1.7903 2.6404 2.6404 3.0048 3.0048 3.0895 3.0895 3.3973 3.3973 3.7917 3.7917 4.1635 4.1635 4.3211 4.3211 4.5536 4.5536 4.8597 4.8597 5.2463 5.2463 5.4498 5.4498 5.7256 5.7256 5.9035 5.9035 6.1522 6.1522 6.6188 6.6188 13.3036 13.3036 13.4922 13.4922 14.9684 14.9684 16.3609 16.3609 16.3694 16.3694 k = 0.5825-0.2112-0.1264 ( 3428 PWs) bands (ev): -11.6102 -11.6102 -11.4824 -11.4824 -10.3863 -10.3863 -10.2143 -10.2143 -10.0423 -10.0423 -9.8689 -9.8689 0.4009 0.4009 0.7982 0.7982 1.8009 1.8009 2.6499 2.6499 2.9344 2.9344 3.0263 3.0263 3.3141 3.3141 3.7525 3.7525 4.1357 4.1357 4.3108 4.3108 4.5051 4.5051 4.8250 4.8250 5.2460 5.2460 5.4517 5.4517 5.7279 5.7279 5.9172 5.9172 6.1591 6.1591 6.6221 6.6221 13.3273 13.3273 13.5346 13.5346 15.0427 15.0427 16.3377 16.3377 16.4148 16.4148 k = 0.5871-0.2298-0.1264 ( 3426 PWs) bands (ev): -11.5891 -11.5891 -11.4617 -11.4617 -10.3743 -10.3743 -10.2032 -10.2032 -10.0333 -10.0333 -9.8740 -9.8740 0.4292 0.4292 0.8097 0.8097 1.8108 1.8108 2.6580 2.6580 2.8640 2.8640 2.9624 2.9624 3.2276 3.2276 3.7165 3.7165 4.0986 4.0986 4.3091 4.3091 4.4558 4.4558 4.7910 4.7910 5.2454 5.2454 5.4539 5.4539 5.7300 5.7300 5.9260 5.9260 6.1673 6.1673 6.6253 6.6253 13.3507 13.3507 13.5776 13.5776 15.1187 15.1187 16.3078 16.3078 16.4558 16.4558 k = 0.5917-0.2484-0.1264 ( 3424 PWs) bands (ev): -11.5671 -11.5671 -11.4401 -11.4401 -10.3619 -10.3619 -10.1917 -10.1917 -10.0240 -10.0240 -9.8796 -9.8796 0.4586 0.4586 0.8210 0.8210 1.8197 1.8197 2.6640 2.6640 2.7943 2.7943 2.8981 2.8981 3.1397 3.1397 3.6828 3.6828 4.0550 4.0550 4.3129 4.3129 4.4065 4.4065 4.7579 4.7579 5.2447 5.2447 5.4562 5.4562 5.7316 5.7316 5.9302 5.9302 6.1765 6.1765 6.6286 6.6286 13.3737 13.3737 13.6209 13.6209 15.1963 15.1963 16.2726 16.2726 16.4912 16.4912 k = 0.5963-0.2670-0.1264 ( 3426 PWs) bands (ev): -11.5442 -11.5442 -11.4176 -11.4176 -10.3491 -10.3491 -10.1798 -10.1798 -10.0146 -10.0146 -9.8858 -9.8858 0.4891 0.4891 0.8320 0.8320 1.8268 1.8268 2.6665 2.6665 2.7263 2.7263 2.8337 2.8337 3.0523 3.0523 3.6510 3.6510 4.0073 4.0073 4.3186 4.3186 4.3591 4.3591 4.7259 4.7259 5.2437 5.2437 5.4587 5.4587 5.7329 5.7329 5.9303 5.9303 6.1863 6.1863 6.6318 6.6318 13.3962 13.3962 13.6645 13.6645 15.2749 15.2749 16.2332 16.2332 16.5197 16.5197 k = 0.6009-0.2856-0.1264 ( 3430 PWs) bands (ev): -11.5204 -11.5204 -11.3944 -11.3944 -10.3359 -10.3359 -10.1677 -10.1677 -10.0048 -10.0048 -9.8926 -9.8926 0.5206 0.5206 0.8424 0.8424 1.8315 1.8315 2.6602 2.6602 2.6643 2.6643 2.7695 2.7695 2.9679 2.9679 3.6209 3.6209 3.9567 3.9567 4.3023 4.3023 4.3369 4.3369 4.6952 4.6952 5.2425 5.2425 5.4613 5.4613 5.7336 5.7336 5.9268 5.9268 6.1963 6.1963 6.6349 6.6349 13.4179 13.4179 13.7081 13.7081 15.3542 15.3542 16.1903 16.1903 16.5400 16.5400 k = 0.6055-0.3041-0.1264 ( 3428 PWs) bands (ev): -11.4959 -11.4959 -11.3703 -11.3703 -10.3224 -10.3224 -10.1553 -10.1553 -9.9950 -9.9950 -9.9000 -9.9000 0.5531 0.5531 0.8522 0.8522 1.8325 1.8325 2.5997 2.5997 2.6508 2.6508 2.7057 2.7057 2.8910 2.8910 3.5925 3.5925 3.9038 3.9038 4.2576 4.2576 4.3460 4.3460 4.6658 4.6658 5.2410 5.2410 5.4637 5.4637 5.7339 5.7339 5.9202 5.9202 6.2059 6.2059 6.6379 6.6379 13.4389 13.4389 13.7517 13.7517 15.4336 15.4336 16.1448 16.1448 16.5514 16.5514 k = 0.6101-0.3227-0.1264 ( 3432 PWs) bands (ev): -11.4706 -11.4706 -11.3455 -11.3455 -10.3087 -10.3087 -10.1428 -10.1428 -9.9849 -9.9849 -9.9080 -9.9080 0.5863 0.5863 0.8613 0.8613 1.8285 1.8285 2.5442 2.5442 2.6215 2.6215 2.6422 2.6422 2.8289 2.8289 3.5659 3.5659 3.8493 3.8493 4.2124 4.2124 4.3586 4.3586 4.6379 4.6379 5.2392 5.2392 5.4660 5.4660 5.7335 5.7335 5.9110 5.9110 6.2148 6.2148 6.6409 6.6409 13.4590 13.4590 13.7950 13.7950 15.5125 15.5125 16.0973 16.0973 16.5539 16.5539 k = 0.6146-0.3413-0.1264 ( 3440 PWs) bands (ev): -11.4446 -11.4446 -11.3201 -11.3201 -10.2948 -10.2948 -10.1301 -10.1301 -9.9748 -9.9748 -9.9167 -9.9167 0.6202 0.6202 0.8694 0.8694 1.8182 1.8182 2.4962 2.4962 2.5722 2.5722 2.5770 2.5770 2.7871 2.7871 3.5416 3.5416 3.7934 3.7934 4.1690 4.1690 4.3725 4.3725 4.6114 4.6114 5.2370 5.2370 5.4681 5.4681 5.7326 5.7326 5.8996 5.8996 6.2226 6.2226 6.6438 6.6438 13.4780 13.4780 13.8381 13.8381 15.5902 15.5902 16.0483 16.0483 16.5481 16.5481 k = 0.6192-0.3599-0.1264 ( 3442 PWs) bands (ev): -11.4180 -11.4180 -11.2939 -11.2939 -10.2807 -10.2807 -10.1173 -10.1173 -9.9646 -9.9646 -9.9260 -9.9260 0.6547 0.6547 0.8766 0.8766 1.7999 1.7999 2.4572 2.4572 2.5007 2.5007 2.5169 2.5169 2.7615 2.7615 3.5195 3.5195 3.7364 3.7364 4.1278 4.1278 4.3873 4.3873 4.5866 4.5866 5.2344 5.2344 5.4699 5.4699 5.7310 5.7310 5.8863 5.8863 6.2292 6.2292 6.6465 6.6465 13.4960 13.4960 13.8806 13.8806 15.6655 15.6655 15.9985 15.9985 16.5358 16.5358 k = 0.6238-0.3785-0.1264 ( 3450 PWs) bands (ev): -11.3907 -11.3907 -11.2672 -11.2672 -10.2664 -10.2664 -10.1046 -10.1046 -9.9543 -9.9543 -9.9359 -9.9359 0.6897 0.6897 0.8826 0.8826 1.7728 1.7728 2.4192 2.4192 2.4286 2.4286 2.4589 2.4589 2.7435 2.7435 3.5000 3.5000 3.6786 3.6786 4.0890 4.0890 4.4028 4.4028 4.5634 4.5634 5.2314 5.2314 5.4715 5.4715 5.7288 5.7288 5.8713 5.8713 6.2343 6.2343 6.6492 6.6492 13.5129 13.5129 13.9226 13.9226 15.7367 15.7367 15.9485 15.9485 16.5197 16.5197 k = 0.6284-0.3971-0.1264 ( 3448 PWs) bands (ev): -11.3628 -11.3628 -11.2400 -11.2400 -10.2521 -10.2521 -10.0921 -10.0921 -9.9466 -9.9466 -9.9439 -9.9439 0.7249 0.7249 0.8875 0.8875 1.7366 1.7366 2.3340 2.3340 2.4001 2.4001 2.4128 2.4128 2.7276 2.7276 3.4831 3.4831 3.6204 3.6204 4.0530 4.0530 4.4188 4.4188 4.5420 4.5420 5.2279 5.2279 5.4727 5.4727 5.7259 5.7259 5.8549 5.8549 6.2379 6.2379 6.6517 6.6517 13.5286 13.5286 13.9638 13.9638 15.8015 15.8015 15.8987 15.8987 16.5036 16.5036 k = 0.6330-0.4157-0.1264 ( 3450 PWs) bands (ev): -11.3345 -11.3345 -11.2122 -11.2122 -10.2377 -10.2377 -10.0801 -10.0801 -9.9573 -9.9573 -9.9338 -9.9338 0.7603 0.7603 0.8911 0.8911 1.6921 1.6921 2.2475 2.2475 2.3460 2.3460 2.4043 2.4043 2.7115 2.7115 3.4687 3.4687 3.5621 3.5621 4.0197 4.0197 4.4354 4.4354 4.5225 4.5225 5.2238 5.2238 5.4735 5.4735 5.7223 5.7223 5.8373 5.8373 6.2398 6.2398 6.6540 6.6540 13.5432 13.5432 14.0042 14.0042 15.8490 15.8490 15.8572 15.8572 16.4924 16.4924 k = 0.6376-0.4342-0.1264 ( 3446 PWs) bands (ev): -11.3057 -11.3057 -11.1840 -11.1840 -10.2233 -10.2233 -10.0689 -10.0689 -9.9681 -9.9681 -9.9237 -9.9237 0.7955 0.7955 0.8934 0.8934 1.6406 1.6406 2.1611 2.1611 2.2930 2.2930 2.4060 2.4060 2.6942 2.6942 3.4565 3.4565 3.5040 3.5040 3.9893 3.9893 4.4523 4.4523 4.5051 4.5051 5.2192 5.2192 5.4740 5.4740 5.7179 5.7179 5.8185 5.8185 6.2400 6.2400 6.6562 6.6562 13.5565 13.5565 14.0436 14.0436 15.8014 15.8014 15.8983 15.8983 16.4916 16.4916 k = 0.6422-0.4528-0.1264 ( 3448 PWs) bands (ev): -11.2765 -11.2765 -11.1555 -11.1555 -10.2090 -10.2090 -10.0595 -10.0595 -9.9782 -9.9782 -9.9137 -9.9137 0.8305 0.8305 0.8944 0.8944 1.5836 1.5836 2.0754 2.0754 2.2424 2.2424 2.4156 2.4156 2.6754 2.6754 3.4421 3.4421 3.4504 3.4504 3.9616 3.9616 4.4694 4.4694 4.4901 4.4901 5.2140 5.2140 5.4741 5.4741 5.7128 5.7128 5.7988 5.7988 6.2385 6.2385 6.6583 6.6583 13.5686 13.5686 14.0819 14.0819 15.7549 15.7549 15.9228 15.9228 16.5058 16.5058 k = 0.6467-0.4714-0.1264 ( 3450 PWs) bands (ev): -11.2469 -11.2469 -11.1266 -11.1266 -10.1948 -10.1948 -10.0536 -10.0536 -9.9858 -9.9858 -9.9038 -9.9038 0.8650 0.8650 0.8941 0.8941 1.5228 1.5228 1.9910 1.9910 2.1944 2.1944 2.4315 2.4315 2.6554 2.6554 3.3885 3.3885 3.4382 3.4382 3.9366 3.9366 4.4763 4.4763 4.4879 4.4879 5.2081 5.2081 5.4737 5.4737 5.7071 5.7071 5.7782 5.7782 6.2352 6.2352 6.6601 6.6601 13.5796 13.5796 14.1188 14.1188 15.7103 15.7103 15.9292 15.9292 16.5371 16.5371 k = 0.6513-0.4900-0.1264 ( 3454 PWs) bands (ev): -11.2171 -11.2171 -11.0975 -11.0975 -10.1808 -10.1808 -10.0538 -10.0538 -9.9883 -9.9883 -9.8941 -9.8941 0.8923 0.8923 0.8988 0.8988 1.4595 1.4595 1.9082 1.9082 2.1492 2.1492 2.4526 2.4526 2.6345 2.6345 3.3326 3.3326 3.4301 3.4301 3.9143 3.9143 4.4663 4.4663 4.5052 4.5052 5.2014 5.2014 5.4730 5.4730 5.7005 5.7005 5.7570 5.7570 6.2302 6.2302 6.6618 6.6618 13.5893 13.5893 14.1542 14.1542 15.6678 15.6678 15.9200 15.9200 16.5836 16.5836 k = 0.6559-0.5086-0.1264 ( 3462 PWs) bands (ev): -11.1870 -11.1870 -11.0681 -11.0681 -10.1669 -10.1669 -10.0612 -10.0612 -9.9848 -9.9848 -9.8847 -9.8847 0.8896 0.8896 0.9311 0.9311 1.3947 1.3947 1.8275 1.8275 2.1069 2.1069 2.4779 2.4779 2.6133 2.6133 3.2780 3.2780 3.4224 3.4224 3.8945 3.8945 4.4587 4.4587 4.5232 4.5232 5.1940 5.1940 5.4718 5.4718 5.6933 5.6933 5.7351 5.7351 6.2233 6.2233 6.6633 6.6633 13.5980 13.5980 14.1880 14.1880 15.6279 15.6279 15.8997 15.8997 16.6408 16.6408 k = 0.6605-0.5272-0.1264 ( 3466 PWs) bands (ev): -11.1568 -11.1568 -11.0387 -11.0387 -10.1534 -10.1534 -10.0741 -10.0741 -9.9771 -9.9771 -9.8756 -9.8756 0.8855 0.8855 0.9621 0.9621 1.3292 1.3292 1.7491 1.7491 2.0678 2.0678 2.5066 2.5066 2.5922 2.5922 3.2250 3.2250 3.4144 3.4144 3.8770 3.8770 4.4539 4.4539 4.5412 4.5412 5.1858 5.1858 5.4702 5.4702 5.6854 5.6854 5.7129 5.7129 6.2148 6.2148 6.6647 6.6647 13.6056 13.6056 14.2199 14.2199 15.5906 15.5906 15.8726 15.8726 16.7027 16.7027 k = 0.6651-0.5458-0.1264 ( 3472 PWs) bands (ev): -11.1265 -11.1265 -11.0091 -11.0091 -10.1401 -10.1401 -10.0903 -10.0903 -9.9673 -9.9673 -9.8667 -9.8667 0.8804 0.8804 0.9911 0.9911 1.2639 1.2639 1.6735 1.6735 2.0320 2.0320 2.5381 2.5381 2.5719 2.5719 3.1740 3.1740 3.4055 3.4055 3.8618 3.8618 4.4521 4.4521 4.5594 4.5594 5.1767 5.1767 5.4681 5.4681 5.6767 5.6767 5.6904 5.6904 6.2045 6.2045 6.6658 6.6658 13.6122 13.6122 14.2497 14.2497 15.5564 15.5564 15.8422 15.8422 16.7590 16.7590 k = 0.6697-0.5644-0.1264 ( 3466 PWs) bands (ev): -11.0961 -11.0961 -10.9796 -10.9796 -10.1272 -10.1272 -10.1088 -10.1088 -9.9566 -9.9566 -9.8582 -9.8582 0.8742 0.8742 1.0176 1.0176 1.1993 1.1993 1.6010 1.6010 1.9995 1.9995 2.5526 2.5526 2.5719 2.5719 3.1254 3.1254 3.3954 3.3954 3.8485 3.8485 4.4534 4.4534 4.5776 4.5776 5.1668 5.1668 5.4657 5.4657 5.6655 5.6655 5.6696 5.6696 6.1925 6.1925 6.6668 6.6668 13.6179 13.6179 14.2773 14.2773 15.5252 15.5252 15.8110 15.8110 16.7874 16.7874 k = 0.6743-0.5829-0.1264 ( 3466 PWs) bands (ev): -11.0658 -11.0658 -10.9502 -10.9502 -10.1291 -10.1291 -10.1146 -10.1146 -9.9455 -9.9455 -9.8501 -9.8501 0.8670 0.8670 1.0409 1.0409 1.1359 1.1359 1.5324 1.5324 1.9705 1.9705 2.5356 2.5356 2.6067 2.6067 3.0798 3.0798 3.3836 3.3836 3.8371 3.8371 4.4576 4.4576 4.5958 4.5958 5.1559 5.1559 5.4628 5.4628 5.6439 5.6439 5.6584 5.6584 6.1788 6.1788 6.6675 6.6675 13.6229 13.6229 14.3025 14.3025 15.4972 15.4972 15.7809 15.7809 16.7716 16.7716 k = 0.6788-0.6015-0.1264 ( 3466 PWs) bands (ev): -11.0356 -11.0356 -10.9209 -10.9209 -10.1507 -10.1507 -10.1026 -10.1026 -9.9343 -9.9343 -9.8424 -9.8424 0.8589 0.8589 1.0599 1.0599 1.0742 1.0742 1.4685 1.4685 1.9449 1.9449 2.5208 2.5208 2.6421 2.6421 3.0380 3.0380 3.3698 3.3698 3.8274 3.8274 4.4649 4.4649 4.6140 4.6140 5.1442 5.1442 5.4594 5.4594 5.6211 5.6211 5.6481 5.6481 6.1635 6.1635 6.6681 6.6681 13.6273 13.6273 14.3249 14.3249 15.4726 15.4726 15.7531 15.7531 16.7307 16.7307 k = 0.6834-0.6201-0.1264 ( 3466 PWs) bands (ev): -11.0056 -11.0056 -10.8918 -10.8918 -10.1736 -10.1736 -10.0910 -10.0910 -9.9234 -9.9234 -9.8352 -9.8352 0.8496 0.8496 1.0147 1.0147 1.0733 1.0733 1.4108 1.4108 1.9227 1.9227 2.5089 2.5089 2.6765 2.6765 3.0013 3.0013 3.3541 3.3541 3.8190 3.8190 4.4749 4.4749 4.6322 4.6322 5.1316 5.1316 5.4556 5.4556 5.5983 5.5983 5.6375 5.6375 6.1466 6.1466 6.6685 6.6685 13.6312 13.6312 14.3445 14.3445 15.4514 15.4514 15.7286 15.7286 16.6814 16.6814 k = 0.6880-0.6387-0.1264 ( 3470 PWs) bands (ev): -10.9757 -10.9757 -10.8631 -10.8631 -10.1977 -10.1977 -10.0800 -10.0800 -9.9126 -9.9126 -9.8284 -9.8284 0.8385 0.8385 0.9588 0.9588 1.0787 1.0787 1.3615 1.3615 1.9039 1.9039 2.5001 2.5001 2.7074 2.7074 2.9722 2.9722 3.3362 3.3362 3.8118 3.8118 4.4874 4.4874 4.6503 4.6503 5.1183 5.1183 5.4513 5.4513 5.5757 5.5757 5.6266 5.6266 6.1281 6.1281 6.6688 6.6688 13.6347 13.6347 14.3612 14.3612 15.4336 15.4336 15.7081 15.7081 16.6296 16.6296 k = 0.6926-0.6573-0.1264 ( 3466 PWs) bands (ev): -10.9462 -10.9462 -10.8347 -10.8347 -10.2229 -10.2229 -10.0696 -10.0696 -9.9023 -9.9023 -9.8222 -9.8222 0.8235 0.8235 0.9087 0.9087 1.0733 1.0733 1.3236 1.3236 1.8883 1.8883 2.4948 2.4948 2.7305 2.7305 2.9549 2.9549 3.3164 3.3164 3.8057 3.8057 4.5021 4.5021 4.6682 4.6682 5.1044 5.1044 5.4464 5.4464 5.5534 5.5534 5.6155 5.6155 6.1082 6.1082 6.6688 6.6688 13.6380 13.6380 14.3748 14.3748 15.4191 15.4191 15.6922 15.6922 16.5775 16.5775 k = 0.6972-0.6759-0.1264 ( 3466 PWs) bands (ev): -10.9171 -10.9171 -10.8069 -10.8069 -10.2491 -10.2491 -10.0598 -10.0598 -9.8923 -9.8923 -9.8164 -9.8164 0.7994 0.7994 0.8702 0.8702 1.0554 1.0554 1.2990 1.2990 1.8758 1.8758 2.4930 2.4930 2.7408 2.7408 2.9544 2.9544 3.2947 3.2947 3.8003 3.8003 4.5184 4.5184 4.6860 4.6860 5.0902 5.0902 5.4410 5.4410 5.5314 5.5314 5.6044 5.6044 6.0868 6.0868 6.6688 6.6688 13.6414 13.6414 14.3853 14.3853 15.4081 15.4081 15.6810 15.6810 16.5259 16.5259 k = 0.7018-0.6945-0.1264 ( 3462 PWs) bands (ev): -10.8883 -10.8883 -10.7798 -10.7798 -10.2762 -10.2762 -10.0507 -10.0507 -9.8829 -9.8829 -9.8113 -9.8113 0.7628 0.7628 0.8469 0.8469 1.0264 1.0264 1.2864 1.2864 1.8662 1.8662 2.4950 2.4950 2.7368 2.7368 2.9720 2.9720 3.2715 3.2715 3.7955 3.7955 4.5358 4.5358 4.7036 4.7036 5.0761 5.0761 5.4349 5.4349 5.5099 5.5099 5.5935 5.5935 6.0640 6.0640 6.6685 6.6685 13.6450 13.6450 14.3928 14.3928 15.4003 15.4003 15.6749 15.6749 16.4756 16.4756 k = 0.7064-0.7130-0.1264 ( 3462 PWs) bands (ev): -10.8601 -10.8601 -10.7535 -10.7535 -10.3042 -10.3042 -10.0424 -10.0424 -9.8739 -9.8739 -9.8067 -9.8067 0.7197 0.7197 0.8330 0.8330 0.9901 0.9901 1.2822 1.2822 1.8594 1.8594 2.5005 2.5005 2.7230 2.7230 3.0033 3.0033 3.2471 3.2471 3.7910 3.7910 4.5534 4.5534 4.7210 4.7210 5.0625 5.0625 5.4281 5.4281 5.4889 5.4889 5.5829 5.5829 6.0400 6.0400 6.6682 6.6682 13.6489 13.6489 14.3973 14.3973 15.3957 15.3957 15.6738 15.6738 16.4268 16.4268 k = 0.7109-0.7316-0.1264 ( 3462 PWs) bands (ev): -10.8325 -10.8325 -10.7281 -10.7281 -10.3327 -10.3327 -10.0348 -10.0348 -9.8655 -9.8655 -9.8027 -9.8027 0.6759 0.6759 0.8234 0.8234 0.9505 0.9505 1.2829 1.2829 1.8552 1.8552 2.5092 2.5092 2.7046 2.7046 3.0430 3.0430 3.2219 3.2219 3.7868 3.7868 4.5704 4.5704 4.7382 4.7382 5.0501 5.0501 5.4205 5.4205 5.4683 5.4683 5.5728 5.5728 6.0146 6.0146 6.6677 6.6677 13.6533 13.6533 14.3991 14.3991 15.3942 15.3942 15.6776 15.6776 16.3799 16.3799 k = 0.7155-0.7502-0.1264 ( 3464 PWs) bands (ev): -10.8055 -10.8055 -10.7041 -10.7041 -10.3616 -10.3616 -10.0280 -10.0280 -9.8577 -9.8577 -9.7994 -9.7994 0.6334 0.6334 0.8159 0.8159 0.9101 0.9101 1.2862 1.2862 1.8535 1.8535 2.5207 2.5207 2.6851 2.6851 3.0874 3.0874 3.1965 3.1965 3.7826 3.7826 4.5857 4.5857 4.7551 4.7551 5.0400 5.0400 5.4120 5.4120 5.4482 5.4482 5.5634 5.5634 5.9881 5.9881 6.6671 6.6671 13.6585 13.6585 14.3983 14.3983 15.3957 15.3957 15.6862 15.6862 16.3349 16.3349 k = 0.7201-0.7688-0.1264 ( 3460 PWs) bands (ev): -10.7791 -10.7791 -10.6818 -10.6818 -10.3905 -10.3905 -10.0220 -10.0220 -9.8506 -9.8506 -9.7967 -9.7967 0.5932 0.5932 0.8099 0.8099 0.8706 0.8706 1.2908 1.2908 1.8544 1.8544 2.5345 2.5345 2.6664 2.6664 3.1347 3.1347 3.1715 3.1715 3.7783 3.7783 4.5980 4.5980 4.7716 4.7716 5.0331 5.0331 5.4026 5.4026 5.4286 5.4286 5.5548 5.5548 5.9606 5.9606 6.6664 6.6664 13.6645 13.6645 14.3951 14.3951 15.4000 15.4000 15.6993 15.6993 16.2920 16.2920 k = 0.7247-0.7874-0.1264 ( 3460 PWs) bands (ev): -10.7536 -10.7536 -10.6619 -10.6619 -10.4186 -10.4186 -10.0169 -10.0169 -9.8441 -9.8441 -9.7946 -9.7946 0.5558 0.5558 0.8053 0.8053 0.8328 0.8328 1.2961 1.2961 1.8576 1.8576 2.5497 2.5497 2.6493 2.6493 3.1474 3.1474 3.1841 3.1841 3.7738 3.7738 4.6060 4.6060 4.7878 4.7878 5.0306 5.0306 5.3922 5.3922 5.4096 5.4096 5.5472 5.5472 5.9320 5.9320 6.6657 6.6657 13.6716 13.6716 14.3899 14.3899 15.4071 15.4071 15.7167 15.7167 16.2515 16.2515 k = 0.7293-0.8060-0.1264 ( 3468 PWs) bands (ev): -10.7288 -10.7288 -10.6460 -10.6460 -10.4446 -10.4446 -10.0127 -10.0127 -9.8382 -9.8382 -9.7931 -9.7931 0.5213 0.5213 0.7973 0.7973 0.8020 0.8020 1.3017 1.3017 1.8633 1.8633 2.5653 2.5653 2.6344 2.6344 3.1255 3.1255 3.2343 3.2343 3.7690 3.7690 4.6087 4.6087 4.8035 4.8035 5.0334 5.0334 5.3807 5.3807 5.3912 5.3912 5.5406 5.5406 5.9026 5.9026 6.6648 6.6648 13.6798 13.6798 14.3828 14.3828 15.4166 15.4166 15.7379 15.7379 16.2136 16.2136 k = 0.7339-0.8246-0.1264 ( 3464 PWs) bands (ev): -10.7049 -10.7049 -10.6361 -10.6361 -10.4661 -10.4661 -10.0094 -10.0094 -9.8331 -9.8331 -9.7924 -9.7924 0.4899 0.4899 0.7645 0.7645 0.7999 0.7999 1.3076 1.3076 1.8716 1.8716 2.5803 2.5803 2.6223 2.6223 3.1067 3.1067 3.2853 3.2853 3.7640 3.7640 4.6055 4.6055 4.8188 4.8188 5.0420 5.0420 5.3671 5.3671 5.3746 5.3746 5.5350 5.5350 5.8724 5.8724 6.6640 6.6640 13.6893 13.6893 14.3741 14.3741 15.4286 15.4286 15.7626 15.7626 16.1783 16.1783 k = 0.2661-1.0787 0.0000 ( 3464 PWs) bands (ev): -10.7049 -10.7049 -10.6361 -10.6361 -10.4661 -10.4661 -10.0094 -10.0094 -9.8331 -9.8331 -9.7924 -9.7924 0.4899 0.4899 0.7645 0.7645 0.7999 0.7999 1.3076 1.3076 1.8716 1.8716 2.5803 2.5803 2.6223 2.6223 3.1067 3.1067 3.2853 3.2853 3.7640 3.7640 4.6055 4.6055 4.8188 4.8188 5.0420 5.0420 5.3671 5.3671 5.3746 5.3746 5.5350 5.5350 5.8724 5.8724 6.6640 6.6640 13.6893 13.6893 14.3741 14.3741 15.4286 15.4286 15.7626 15.7626 16.1783 16.1783 k = 0.2615-1.0601 0.0000 ( 3456 PWs) bands (ev): -10.6819 -10.6819 -10.6358 -10.6358 -10.4799 -10.4799 -10.0071 -10.0071 -9.8286 -9.8286 -9.7922 -9.7922 0.4617 0.4617 0.7346 0.7346 0.7991 0.7991 1.3135 1.3135 1.8823 1.8823 2.5929 2.5929 2.6134 2.6134 3.0920 3.0920 3.3367 3.3367 3.7585 3.7585 4.5963 4.5963 4.8334 4.8334 5.0565 5.0565 5.3506 5.3506 5.3607 5.3607 5.5304 5.5304 5.8416 5.8416 6.6631 6.6631 13.7002 13.7002 14.3640 14.3640 15.4429 15.4429 15.7903 15.7903 16.1460 16.1460 k = 0.2570-1.0415 0.0000 ( 3460 PWs) bands (ev): -10.6599 -10.6599 -10.6472 -10.6472 -10.4837 -10.4837 -10.0057 -10.0057 -9.8249 -9.8249 -9.7928 -9.7928 0.4369 0.4369 0.7077 0.7077 0.7996 0.7996 1.3196 1.3196 1.8956 1.8956 2.5998 2.5998 2.6104 2.6104 3.0827 3.0827 3.3880 3.3880 3.7528 3.7528 4.5816 4.5816 4.8474 4.8474 5.0763 5.0763 5.3328 5.3328 5.3481 5.3481 5.5267 5.5267 5.8102 5.8102 6.6622 6.6622 13.7126 13.7126 14.3524 14.3524 15.4592 15.4592 15.8207 15.8207 16.1169 16.1169 k = 0.2524-1.0229 0.0000 ( 3460 PWs) bands (ev): -10.6690 -10.6690 -10.6389 -10.6389 -10.4788 -10.4788 -10.0052 -10.0052 -9.8219 -9.8219 -9.7939 -9.7939 0.4154 0.4154 0.6840 0.6840 0.8015 0.8015 1.3256 1.3256 1.9114 1.9114 2.5991 2.5991 2.6141 2.6141 3.0796 3.0796 3.4389 3.4389 3.7469 3.7469 4.5623 4.5623 4.8606 4.8606 5.1005 5.1005 5.3145 5.3145 5.3360 5.3360 5.5239 5.5239 5.7785 5.7785 6.6614 6.6614 13.7266 13.7266 14.3395 14.3395 15.4775 15.4775 15.8530 15.8530 16.0918 16.0918 k = 0.2478-1.0043 0.0000 ( 3462 PWs) bands (ev): -10.6978 -10.6978 -10.6190 -10.6190 -10.4687 -10.4687 -10.0057 -10.0057 -9.8197 -9.8197 -9.7958 -9.7958 0.3974 0.3974 0.6635 0.6635 0.8048 0.8048 1.3314 1.3314 1.9297 1.9297 2.5988 2.5988 2.6165 2.6165 3.0831 3.0831 3.4891 3.4891 3.7410 3.7410 4.5393 4.5393 4.8728 4.8728 5.1282 5.1282 5.2961 5.2961 5.3244 5.3244 5.5219 5.5219 5.7467 5.7467 6.6606 6.6606 13.7421 13.7421 14.3254 14.3254 15.4976 15.4976 15.8861 15.8861 16.0716 16.0716 k = 0.2432-0.9857 0.0000 ( 3466 PWs) bands (ev): -10.7308 -10.7308 -10.6002 -10.6002 -10.4560 -10.4560 -10.0072 -10.0072 -9.8181 -9.8181 -9.7982 -9.7982 0.3829 0.3829 0.6462 0.6462 0.8093 0.8093 1.3371 1.3371 1.9502 1.9502 2.6008 2.6008 2.6159 2.6159 3.0932 3.0932 3.5380 3.5380 3.7354 3.7354 4.5134 4.5134 4.8840 4.8840 5.1584 5.1584 5.2775 5.2775 5.3136 5.3136 5.5207 5.5207 5.7150 5.7150 6.6598 6.6598 13.7593 13.7593 14.3099 14.3099 15.5193 15.5193 15.9176 15.9176 16.0586 16.0586 k = 0.2386-0.9671 0.0000 ( 3466 PWs) bands (ev): -10.7665 -10.7665 -10.5825 -10.5825 -10.4423 -10.4423 -10.0097 -10.0097 -9.8173 -9.8173 -9.8013 -9.8013 0.3718 0.3718 0.6321 0.6321 0.8152 0.8152 1.3424 1.3424 1.9729 1.9729 2.6040 2.6040 2.6144 2.6144 3.1092 3.1092 3.5847 3.5847 3.7310 3.7310 4.4854 4.4854 4.8941 4.8941 5.1903 5.1903 5.2586 5.2586 5.3038 5.3038 5.5201 5.5201 5.6836 5.6836 6.6591 6.6591 13.7781 13.7781 14.2930 14.2930 15.5426 15.5426 15.9425 15.9425 16.0578 16.0578 k = 0.2340-0.9485 0.0000 ( 3468 PWs) bands (ev): -10.8040 -10.8040 -10.5659 -10.5659 -10.4285 -10.4285 -10.0131 -10.0131 -9.8173 -9.8173 -9.8050 -9.8050 0.3643 0.3643 0.6212 0.6212 0.8224 0.8224 1.3472 1.3472 1.9974 1.9974 2.6031 2.6031 2.6185 2.6185 3.1300 3.1300 3.6271 3.6271 3.7297 3.7297 4.4561 4.4561 4.9028 4.9028 5.2229 5.2229 5.2394 5.2394 5.2953 5.2953 5.5202 5.5202 5.6530 5.6530 6.6585 6.6585 13.7985 13.7985 14.2746 14.2746 15.5672 15.5672 15.9554 15.9554 16.0747 16.0747 k = 0.2294-0.9299 0.0000 ( 3464 PWs) bands (ev): -10.8427 -10.8427 -10.5506 -10.5506 -10.4150 -10.4150 -10.0174 -10.0174 -9.8179 -9.8179 -9.8092 -9.8092 0.3603 0.3603 0.6135 0.6135 0.8307 0.8307 1.3513 1.3513 2.0234 2.0234 2.5992 2.5992 2.6290 2.6290 3.1544 3.1544 3.6596 3.6596 3.7370 3.7370 4.4259 4.4259 4.9102 4.9102 5.2193 5.2193 5.2561 5.2561 5.2884 5.2884 5.5208 5.5208 5.6237 5.6237 6.6580 6.6580 13.8204 13.8204 14.2545 14.2545 15.5932 15.5932 15.9580 15.9580 16.1076 16.1076 k = 0.2248-0.9113 0.0000 ( 3466 PWs) bands (ev): -10.8824 -10.8824 -10.5364 -10.5364 -10.4021 -10.4021 -10.0227 -10.0227 -9.8192 -9.8192 -9.8141 -9.8141 0.3597 0.3597 0.6088 0.6088 0.8402 0.8402 1.3544 1.3544 2.0503 2.0503 2.5965 2.5965 2.6432 2.6432 3.1814 3.1814 3.6748 3.6748 3.7603 3.7603 4.3954 4.3954 4.9162 4.9162 5.1990 5.1990 5.2829 5.2829 5.2882 5.2882 5.5221 5.5221 5.5965 5.5965 6.6575 6.6575 13.8438 13.8438 14.2326 14.2326 15.6204 15.6204 15.9570 15.9570 16.1497 16.1497 k = 0.2202-0.8927 0.0000 ( 3462 PWs) bands (ev): -10.9228 -10.9228 -10.5235 -10.5235 -10.3901 -10.3901 -10.0289 -10.0289 -9.8213 -9.8213 -9.8195 -9.8195 0.3626 0.3626 0.6071 0.6071 0.8507 0.8507 1.3565 1.3565 2.0776 2.0776 2.5970 2.5970 2.6606 2.6606 3.2099 3.2099 3.6774 3.6774 3.7948 3.7948 4.3651 4.3651 4.9208 4.9208 5.1781 5.1781 5.2796 5.2796 5.3172 5.3172 5.5241 5.5241 5.5730 5.5730 6.6573 6.6573 13.8685 13.8685 14.2086 14.2086 15.6488 15.6488 15.9565 15.9565 16.1973 16.1973 k = 0.2157-0.8741 0.0000 ( 3458 PWs) bands (ev): -10.9638 -10.9638 -10.5118 -10.5118 -10.3789 -10.3789 -10.0360 -10.0360 -9.8254 -9.8254 -9.8239 -9.8239 0.3690 0.3690 0.6082 0.6082 0.8622 0.8622 1.3573 1.3573 2.1048 2.1048 2.6023 2.6023 2.6809 2.6809 3.2391 3.2391 3.6755 3.6755 3.8322 3.8322 4.3354 4.3354 4.9243 4.9243 5.1564 5.1564 5.2779 5.2779 5.3414 5.3414 5.5267 5.5267 5.5556 5.5556 6.6571 6.6571 13.8944 13.8944 14.1824 14.1824 15.6783 15.6783 15.9580 15.9580 16.2484 16.2484 k = 0.2111-0.8555 0.0000 ( 3460 PWs) bands (ev): -11.0051 -11.0051 -10.5014 -10.5014 -10.3687 -10.3687 -10.0439 -10.0439 -9.8318 -9.8318 -9.8273 -9.8273 0.3787 0.3787 0.6119 0.6119 0.8745 0.8745 1.3567 1.3567 2.1313 2.1313 2.6138 2.6138 2.7042 2.7042 3.2680 3.2680 3.6726 3.6726 3.8692 3.8692 4.3069 4.3069 4.9267 4.9267 5.1340 5.1340 5.2779 5.2779 5.3569 5.3569 5.5301 5.5301 5.5477 5.5477 6.6571 6.6571 13.9213 13.9213 14.1538 14.1538 15.7089 15.7089 15.9625 15.9625 16.3024 16.3024 k = 0.2065-0.8369 0.0000 ( 3462 PWs) bands (ev): -11.0468 -11.0468 -10.4922 -10.4922 -10.3595 -10.3595 -10.0527 -10.0527 -9.8387 -9.8387 -9.8312 -9.8312 0.3917 0.3917 0.6180 0.6180 0.8875 0.8875 1.3545 1.3545 2.1569 2.1569 2.6322 2.6322 2.7302 2.7302 3.2960 3.2960 3.6699 3.6699 3.9045 3.9045 4.2800 4.2800 4.9282 4.9282 5.1107 5.1107 5.2793 5.2793 5.3608 5.3608 5.5343 5.5343 5.5524 5.5524 6.6572 6.6572 13.9491 13.9491 14.1227 14.1227 15.7407 15.7407 15.9702 15.9702 16.3589 16.3589 k = 0.2019-0.8183 0.0000 ( 3462 PWs) bands (ev): -11.0887 -11.0887 -10.4842 -10.4842 -10.3514 -10.3514 -10.0622 -10.0622 -9.8461 -9.8461 -9.8358 -9.8358 0.4080 0.4080 0.6261 0.6261 0.9011 0.9011 1.3509 1.3509 2.1814 2.1814 2.6582 2.6582 2.7590 2.7590 3.3224 3.3224 3.6682 3.6682 3.9374 3.9374 4.2551 4.2551 4.9293 4.9293 5.0866 5.0866 5.2820 5.2820 5.3538 5.3538 5.5394 5.5394 5.5689 5.5689 6.6575 6.6575 13.9775 13.9775 14.0888 14.0888 15.7735 15.7735 15.9812 15.9812 16.4177 16.4177 k = 0.1973-0.7997 0.0000 ( 3466 PWs) bands (ev): -11.1307 -11.1307 -10.4774 -10.4774 -10.3443 -10.3443 -10.0725 -10.0725 -9.8539 -9.8539 -9.8409 -9.8409 0.4274 0.4274 0.6360 0.6360 0.9150 0.9150 1.3460 1.3460 2.2050 2.2050 2.6916 2.6916 2.7903 2.7903 3.3467 3.3467 3.6677 3.6677 3.9675 3.9675 4.2329 4.2329 4.9301 4.9301 5.0616 5.0616 5.2856 5.2856 5.3395 5.3395 5.5458 5.5458 5.5936 5.5936 6.6579 6.6579 14.0061 14.0061 14.0522 14.0522 15.8077 15.8077 15.9956 15.9956 16.4787 16.4787 k = 0.1927-0.7811 0.0000 ( 3466 PWs) bands (ev): -11.1728 -11.1728 -10.4718 -10.4718 -10.3382 -10.3382 -10.0835 -10.0835 -9.8621 -9.8621 -9.8466 -9.8466 0.4499 0.4499 0.6472 0.6472 0.9292 0.9292 1.3400 1.3400 2.2282 2.2282 2.7323 2.7323 2.8241 2.8241 3.3683 3.3683 3.6690 3.6690 3.9947 3.9947 4.2136 4.2136 4.9309 4.9309 5.0357 5.0357 5.2898 5.2898 5.3216 5.3216 5.5534 5.5534 5.6228 5.6228 6.6585 6.6585 14.0122 14.0122 14.0353 14.0353 15.8432 15.8432 16.0132 16.0132 16.5417 16.5417 k = 0.1881-0.7625 0.0000 ( 3466 PWs) bands (ev): -11.2148 -11.2148 -10.4674 -10.4674 -10.3333 -10.3333 -10.0951 -10.0951 -9.8706 -9.8706 -9.8527 -9.8527 0.4753 0.4753 0.6592 0.6592 0.9435 0.9435 1.3335 1.3335 2.2515 2.2515 2.7795 2.7795 2.8602 2.8602 3.3867 3.3867 3.6723 3.6723 4.0188 4.0188 4.1978 4.1978 4.9318 4.9318 5.0091 5.0091 5.2933 5.2933 5.3031 5.3031 5.5624 5.5624 5.6545 5.6545 6.6592 6.6592 13.9698 13.9698 14.0637 14.0637 15.8801 15.8801 16.0338 16.0338 16.6064 16.6064 k = 0.1835-0.7439 0.0000 ( 3464 PWs) bands (ev): -11.2567 -11.2567 -10.4641 -10.4641 -10.3293 -10.3293 -10.1073 -10.1073 -9.8796 -9.8796 -9.8594 -9.8594 0.5036 0.5036 0.6713 0.6713 0.9577 0.9577 1.3271 1.3271 2.2754 2.2754 2.8326 2.8326 2.8986 2.8986 3.4016 3.4016 3.6779 3.6779 4.0397 4.0397 4.1859 4.1859 4.9330 4.9330 4.9819 4.9819 5.2810 5.2810 5.3001 5.3001 5.5732 5.5732 5.6873 5.6873 6.6600 6.6600 13.9242 13.9242 14.0917 14.0917 15.9187 15.9187 16.0570 16.0570 16.6726 16.6726 k = 0.1790-0.7253 0.0000 ( 3464 PWs) bands (ev): -11.2984 -11.2984 -10.4620 -10.4620 -10.3263 -10.3263 -10.1201 -10.1201 -9.8888 -9.8888 -9.8665 -9.8665 0.5346 0.5346 0.6827 0.6827 0.9715 0.9715 1.3216 1.3216 2.3002 2.3002 2.8908 2.8908 2.9390 2.9390 3.4128 3.4128 3.6859 3.6859 4.0576 4.0576 4.1782 4.1782 4.9343 4.9343 4.9544 4.9544 5.2618 5.2618 5.3041 5.3041 5.5857 5.5857 5.7206 5.7206 6.6610 6.6610 13.8755 13.8755 14.1189 14.1189 15.9591 15.9591 16.0823 16.0823 16.7391 16.7391 k = 0.1744-0.7067 0.0000 ( 3462 PWs) bands (ev): -11.3399 -11.3399 -10.4609 -10.4609 -10.3244 -10.3244 -10.1334 -10.1334 -9.8983 -9.8983 -9.8740 -9.8740 0.5681 0.5681 0.6928 0.6928 0.9850 0.9850 1.3179 1.3179 2.3262 2.3262 2.9535 2.9535 2.9814 2.9814 3.4202 3.4202 3.6968 3.6968 4.0724 4.0724 4.1746 4.1746 4.9242 4.9242 4.9384 4.9384 5.2429 5.2429 5.3078 5.3078 5.6001 5.6001 5.7538 5.7538 6.6620 6.6620 13.8239 13.8239 14.1448 14.1448 16.0015 16.0015 16.1091 16.1091 16.8026 16.8026 k = 0.1698-0.6881 0.0000 ( 3470 PWs) bands (ev): -11.3810 -11.3810 -10.4609 -10.4609 -10.3233 -10.3233 -10.1471 -10.1471 -9.9081 -9.9081 -9.8818 -9.8818 0.6040 0.6040 0.7005 0.7005 0.9979 0.9979 1.3170 1.3170 2.3534 2.3534 3.0195 3.0195 3.0262 3.0262 3.4240 3.4240 3.7106 3.7106 4.0845 4.0845 4.1752 4.1752 4.8964 4.8964 4.9402 4.9402 5.2249 5.2249 5.3108 5.3108 5.6164 5.6164 5.7868 5.7868 6.6632 6.6632 13.7692 13.7692 14.1692 14.1692 16.0461 16.0461 16.1364 16.1364 16.8486 16.8486 k = 0.1652-0.6695 0.0000 ( 3474 PWs) bands (ev): -11.4218 -11.4218 -10.4618 -10.4618 -10.3232 -10.3232 -10.1612 -10.1612 -9.9180 -9.9180 -9.8900 -9.8900 0.6421 0.6421 0.7050 0.7050 1.0100 1.0100 1.3200 1.3200 2.3818 2.3818 3.0706 3.0706 3.0908 3.0908 3.4246 3.4246 3.7275 3.7275 4.0942 4.0942 4.1798 4.1798 4.8679 4.8679 4.9429 4.9429 5.2078 5.2078 5.3131 5.3131 5.6347 5.6347 5.8193 5.8193 6.6645 6.6645 13.7117 13.7117 14.1918 14.1918 16.0930 16.0930 16.1629 16.1629 16.8489 16.8489 k = 0.1606-0.6509 0.0000 ( 3474 PWs) bands (ev): -11.4622 -11.4622 -10.4637 -10.4637 -10.3239 -10.3239 -10.1757 -10.1757 -9.9282 -9.9282 -9.8986 -9.8986 0.6823 0.6823 0.7057 0.7057 1.0213 1.0213 1.3275 1.3275 2.4110 2.4110 3.1179 3.1179 3.1637 3.1637 3.4227 3.4227 3.7478 3.7478 4.1016 4.1016 4.1879 4.1879 4.8395 4.8395 4.9458 4.9458 5.1918 5.1918 5.3144 5.3144 5.6549 5.6549 5.8512 5.8512 6.6659 6.6659 13.6514 13.6514 14.2122 14.2122 16.1423 16.1423 16.1869 16.1869 16.8211 16.8211 k = 0.1560-0.6323 0.0000 ( 3468 PWs) bands (ev): -11.5020 -11.5020 -10.4664 -10.4664 -10.3254 -10.3254 -10.1904 -10.1904 -9.9385 -9.9385 -9.9073 -9.9073 0.7020 0.7020 0.7244 0.7244 1.0316 1.0316 1.3403 1.3403 2.4409 2.4409 3.1662 3.1662 3.2391 3.2391 3.4188 3.4188 3.7714 3.7714 4.1072 4.1072 4.1991 4.1991 4.8113 4.8113 4.9489 4.9489 5.1770 5.1770 5.3149 5.3149 5.6769 5.6769 5.8824 5.8824 6.6674 6.6674 13.5883 13.5883 14.2302 14.2302 16.1941 16.1941 16.2060 16.2060 16.7905 16.7905 k = 0.1514-0.6137 0.0000 ( 3478 PWs) bands (ev): -11.5413 -11.5413 -10.4700 -10.4700 -10.3277 -10.3277 -10.2054 -10.2054 -9.9490 -9.9490 -9.9163 -9.9163 0.6940 0.6940 0.7681 0.7681 1.0408 1.0408 1.3583 1.3583 2.4710 2.4710 3.2156 3.2156 3.3165 3.3165 3.4139 3.4139 3.7984 3.7984 4.1114 4.1114 4.2129 4.2129 4.7837 4.7837 4.9518 4.9518 5.1633 5.1633 5.3144 5.3144 5.7004 5.7004 5.9127 5.9127 6.6689 6.6689 13.5227 13.5227 14.2456 14.2456 16.2173 16.2173 16.2484 16.2484 16.7658 16.7658 k = 0.1468-0.5952 0.0000 ( 3478 PWs) bands (ev): -11.5800 -11.5800 -10.4744 -10.4744 -10.3307 -10.3307 -10.2205 -10.2205 -9.9595 -9.9595 -9.9255 -9.9255 0.6817 0.6817 0.8132 0.8132 1.0489 1.0489 1.3817 1.3817 2.5010 2.5010 3.2659 3.2659 3.3919 3.3919 3.4125 3.4125 3.8288 3.8288 4.1144 4.1144 4.2288 4.2288 4.7567 4.7567 4.9546 4.9546 5.1510 5.1510 5.3130 5.3130 5.7254 5.7254 5.9423 5.9423 6.6705 6.6705 13.4546 13.4546 14.2583 14.2583 16.2179 16.2179 16.3050 16.3050 16.7513 16.7513 k = 0.1422-0.5766 0.0000 ( 3468 PWs) bands (ev): -11.6181 -11.6181 -10.4795 -10.4795 -10.3344 -10.3344 -10.2358 -10.2358 -9.9701 -9.9701 -9.9349 -9.9349 0.6656 0.6656 0.8594 0.8594 1.0559 1.0559 1.4098 1.4098 2.5303 2.5303 3.3170 3.3170 3.4012 3.4012 3.4787 3.4787 3.8625 3.8625 4.1169 4.1169 4.2463 4.2463 4.7307 4.7307 4.9572 4.9572 5.1400 5.1400 5.3108 5.3108 5.7516 5.7516 5.9709 5.9709 6.6721 6.6721 13.3841 13.3841 14.2681 14.2681 16.2059 16.2059 16.3636 16.3636 16.7492 16.7492 k = 0.1377-0.5580 0.0000 ( 3462 PWs) bands (ev): -11.6554 -11.6554 -10.4852 -10.4852 -10.3386 -10.3386 -10.2511 -10.2511 -9.9808 -9.9808 -9.9443 -9.9443 0.6461 0.6461 0.9066 0.9066 1.0618 1.0618 1.4422 1.4422 2.5585 2.5585 3.3685 3.3685 3.3979 3.3979 3.5601 3.5601 3.8992 3.8992 4.1191 4.1191 4.2650 4.2650 4.7059 4.7059 4.9595 4.9595 5.1305 5.1305 5.3079 5.3079 5.7787 5.7787 5.9986 5.9986 6.6738 6.6738 13.3115 13.3115 14.2751 14.2751 16.1812 16.1812 16.4237 16.4237 16.7592 16.7592 k = 0.1331-0.5394 0.0000 ( 3462 PWs) bands (ev): -11.6920 -11.6920 -10.4915 -10.4915 -10.3434 -10.3434 -10.2664 -10.2664 -9.9914 -9.9914 -9.9539 -9.9539 0.6240 0.6240 0.9541 0.9541 1.0668 1.0668 1.4782 1.4782 2.5851 2.5851 3.3946 3.3946 3.4219 3.4219 3.6423 3.6423 3.9385 3.9385 4.1218 4.1218 4.2843 4.2843 4.6824 4.6824 4.9615 4.9615 5.1226 5.1226 5.3042 5.3042 5.8066 5.8066 6.0253 6.0253 6.6754 6.6754 13.2369 13.2369 14.2791 14.2791 16.1452 16.1452 16.4846 16.4846 16.7797 16.7797 k = 0.1285-0.5208 0.0000 ( 3462 PWs) bands (ev): -11.7278 -11.7278 -10.4983 -10.4983 -10.3487 -10.3487 -10.2817 -10.2817 -10.0020 -10.0020 -9.9635 -9.9635 0.5996 0.5996 1.0010 1.0010 1.0718 1.0718 1.5171 1.5171 2.6095 2.6095 3.3950 3.3950 3.4744 3.4744 3.7247 3.7247 3.9796 3.9796 4.1257 4.1257 4.3040 4.3040 4.6607 4.6607 4.9632 4.9632 5.1166 5.1166 5.2998 5.2998 5.8350 5.8350 6.0511 6.0511 6.6771 6.6771 13.1604 13.1604 14.2803 14.2803 16.1003 16.1003 16.5452 16.5452 16.8077 16.8077 k = 0.1239-0.5022 0.0000 ( 3454 PWs) bands (ev): -11.7627 -11.7627 -10.5056 -10.5056 -10.3544 -10.3544 -10.2970 -10.2970 -10.0125 -10.0125 -9.9731 -9.9731 0.5737 0.5737 1.0424 1.0424 1.0814 1.0814 1.5582 1.5582 2.6316 2.6316 3.3980 3.3980 3.5275 3.5275 3.8067 3.8067 4.0209 4.0209 4.1325 4.1325 4.3235 4.3235 4.6411 4.6411 4.9646 4.9646 5.1126 5.1126 5.2948 5.2948 5.8638 5.8638 6.0757 6.0757 6.6788 6.6788 13.0823 13.0823 14.2788 14.2788 16.0489 16.0489 16.6038 16.6038 16.8405 16.8405 k = 0.1193-0.4836 0.0000 ( 3448 PWs) bands (ev): -11.7967 -11.7967 -10.5133 -10.5133 -10.3605 -10.3605 -10.3120 -10.3120 -10.0230 -10.0230 -9.9827 -9.9827 0.5467 0.5467 1.0610 1.0610 1.1127 1.1127 1.6009 1.6009 2.6509 2.6509 3.4043 3.4043 3.5809 3.5809 3.8875 3.8875 4.0586 4.0586 4.1458 4.1458 4.3425 4.3425 4.6240 4.6240 4.9659 4.9659 5.1110 5.1110 5.2893 5.2893 5.8926 5.8926 6.0994 6.0994 6.6804 6.6804 13.0027 13.0027 14.2746 14.2746 15.9926 15.9926 16.6574 16.6574 16.8757 16.8757 k = 0.1147-0.4650 0.0000 ( 3448 PWs) bands (ev): -11.8297 -11.8297 -10.5213 -10.5213 -10.3669 -10.3669 -10.3270 -10.3270 -10.0334 -10.0334 -9.9923 -9.9923 0.5189 0.5189 1.0642 1.0642 1.1580 1.1580 1.6446 1.6446 2.6674 2.6674 3.4140 3.4140 3.6343 3.6343 3.9662 3.9662 4.0867 4.0867 4.1717 4.1717 4.3605 4.3605 4.6102 4.6102 4.9670 4.9670 5.1121 5.1121 5.2832 5.2832 5.9213 5.9213 6.1219 6.1219 6.6820 6.6820 12.9219 12.9219 14.2680 14.2680 15.9329 15.9329 16.7010 16.7010 16.9113 16.9113 k = 0.1101-0.4464 0.0000 ( 3446 PWs) bands (ev): -11.8618 -11.8618 -10.5296 -10.5296 -10.3735 -10.3735 -10.3416 -10.3416 -10.0435 -10.0435 -10.0018 -10.0018 0.4907 0.4907 1.0639 1.0639 1.2055 1.2055 1.6888 1.6888 2.6810 2.6810 3.4271 3.4271 3.6878 3.6878 4.0418 4.0418 4.1038 4.1038 4.2112 4.2112 4.3772 4.3772 4.6005 4.6005 4.9681 4.9681 5.1163 5.1163 5.2766 5.2766 5.9498 5.9498 6.1434 6.1434 6.6837 6.6837 12.8400 12.8400 14.2590 14.2590 15.8707 15.8707 16.7255 16.7255 16.9457 16.9457 k = 0.1055-0.4278 0.0000 ( 3440 PWs) bands (ev): -11.8929 -11.8929 -10.5380 -10.5380 -10.3803 -10.3803 -10.3560 -10.3560 -10.0536 -10.0536 -10.0111 -10.0111 0.4624 0.4624 1.0619 1.0619 1.2531 1.2531 1.7328 1.7328 2.6921 2.6921 3.4436 3.4436 3.7410 3.7410 4.1114 4.1114 4.1168 4.1168 4.2586 4.2586 4.3922 4.3922 4.5959 4.5959 4.9694 4.9694 5.1240 5.1240 5.2696 5.2696 5.9778 5.9778 6.1638 6.1638 6.6852 6.6852 12.7574 12.7574 14.2481 14.2481 15.8068 15.8068 16.7184 16.7184 16.9774 16.9774 k = 0.1009-0.4092 0.0000 ( 3438 PWs) bands (ev): -11.9229 -11.9229 -10.5466 -10.5466 -10.3873 -10.3873 -10.3701 -10.3701 -10.0634 -10.0634 -10.0203 -10.0203 0.4342 0.4342 1.0588 1.0588 1.3001 1.3001 1.7762 1.7762 2.7010 2.7010 3.4632 3.4632 3.7937 3.7937 4.1257 4.1257 4.1767 4.1767 4.3095 4.3095 4.4061 4.4061 4.5973 4.5973 4.9710 4.9710 5.1359 5.1359 5.2622 5.2622 6.0052 6.0052 6.1831 6.1831 6.6868 6.6868 12.6741 12.6741 14.2352 14.2352 15.7419 15.7419 16.6748 16.6748 17.0053 17.0053 k = 0.0964-0.3906 0.0000 ( 3436 PWs) bands (ev): -11.9518 -11.9518 -10.5553 -10.5553 -10.3944 -10.3944 -10.3839 -10.3839 -10.0730 -10.0730 -10.0294 -10.0294 0.4063 0.4063 1.0548 1.0548 1.3462 1.3462 1.8185 1.8185 2.7081 2.7081 3.4854 3.4854 3.8456 3.8456 4.1367 4.1367 4.2305 4.2305 4.3617 4.3617 4.4201 4.4201 4.6057 4.6057 4.9733 4.9733 5.1525 5.1525 5.2544 5.2544 6.0320 6.0320 6.2013 6.2013 6.6882 6.6882 12.5906 12.5906 14.2207 14.2207 15.6763 15.6763 16.6057 16.6057 17.0281 17.0281 k = 0.0918-0.3720 0.0000 ( 3436 PWs) bands (ev): -11.9796 -11.9796 -10.5640 -10.5640 -10.4015 -10.4015 -10.3972 -10.3972 -10.0823 -10.0823 -10.0382 -10.0382 0.3790 0.3790 1.0501 1.0501 1.3910 1.3910 1.8592 1.8592 2.7139 2.7139 3.5099 3.5099 3.8962 3.8962 4.1494 4.1494 4.2706 4.2706 4.4138 4.4138 4.4367 4.4367 4.6213 4.6213 4.9763 4.9763 5.1742 5.1742 5.2464 5.2464 6.0579 6.0579 6.2184 6.2184 6.6897 6.6897 12.5070 12.5070 14.2047 14.2047 15.6106 15.6106 16.5239 16.5239 17.0447 17.0447 k = 0.0872-0.3534 0.0000 ( 3436 PWs) bands (ev): -12.0063 -12.0063 -10.5726 -10.5726 -10.4104 -10.4104 -10.4083 -10.4083 -10.0914 -10.0914 -10.0468 -10.0468 0.3524 0.3524 1.0448 1.0448 1.4344 1.4344 1.8979 1.8979 2.7189 2.7189 3.5361 3.5361 3.9448 3.9448 4.1645 4.1645 4.2953 4.2953 4.4562 4.4562 4.4659 4.4659 4.6440 4.6440 4.9806 4.9806 5.2013 5.2013 5.2383 5.2383 6.0829 6.0829 6.2344 6.2344 6.6910 6.6910 12.4237 12.4237 14.1876 14.1876 15.5451 15.5451 16.4367 16.4367 17.0454 17.0454 k = 0.0826-0.3348 0.0000 ( 3436 PWs) bands (ev): -12.0317 -12.0317 -10.5812 -10.5812 -10.4227 -10.4227 -10.4154 -10.4154 -10.1001 -10.1001 -10.0552 -10.0552 0.3265 0.3265 1.0391 1.0391 1.4761 1.4761 1.9342 1.9342 2.7235 2.7235 3.5638 3.5638 3.9906 3.9906 4.1829 4.1829 4.3068 4.3068 4.4783 4.4783 4.5151 4.5151 4.6727 4.6727 4.9866 4.9866 5.2254 5.2254 5.2387 5.2387 6.1068 6.1068 6.2493 6.2493 6.6923 6.6923 12.3409 12.3409 14.1694 14.1694 15.4801 15.4801 16.3477 16.3477 17.0351 17.0351 k = 0.0780-0.3162 0.0000 ( 3432 PWs) bands (ev): -12.0559 -12.0559 -10.5896 -10.5896 -10.4347 -10.4347 -10.4224 -10.4224 -10.1086 -10.1086 -10.0632 -10.0632 0.3016 0.3016 1.0330 1.0330 1.5159 1.5159 1.9677 1.9677 2.7283 2.7283 3.5926 3.5926 4.0326 4.0326 4.2055 4.2055 4.3094 4.3094 4.4989 4.4989 4.5618 4.5618 4.7057 4.7057 4.9947 4.9947 5.2188 5.2188 5.2755 5.2755 6.1297 6.1297 6.2631 6.2631 6.6936 6.6936 12.2591 12.2591 14.1505 14.1505 15.4161 15.4161 16.2590 16.2590 17.0151 17.0151 k = 0.0734-0.2976 0.0000 ( 3426 PWs) bands (ev): -12.0789 -12.0789 -10.5978 -10.5978 -10.4462 -10.4462 -10.4291 -10.4291 -10.1166 -10.1166 -10.0709 -10.0709 0.2777 0.2777 1.0268 1.0268 1.5538 1.5538 1.9983 1.9983 2.7334 2.7334 3.6221 3.6221 4.0699 4.0699 4.2329 4.2329 4.3067 4.3067 4.5166 4.5166 4.6049 4.6049 4.7408 4.7408 5.0056 5.0056 5.2098 5.2098 5.3200 5.3200 6.1514 6.1514 6.2758 6.2758 6.6948 6.6948 12.1785 12.1785 14.1310 14.1310 15.3534 15.3534 16.1718 16.1718 16.9864 16.9864 k = 0.0688-0.2790 0.0000 ( 3424 PWs) bands (ev): -12.1006 -12.1006 -10.6058 -10.6058 -10.4571 -10.4571 -10.4356 -10.4356 -10.1243 -10.1243 -10.0783 -10.0783 0.2549 0.2549 1.0203 1.0203 1.5897 1.5897 2.0257 2.0257 2.7392 2.7392 3.6521 3.6521 4.1020 4.1020 4.2650 4.2650 4.3010 4.3010 4.5311 4.5311 4.6433 4.6433 4.7763 4.7763 5.0197 5.0197 5.2003 5.2003 5.3692 5.3692 6.1718 6.1718 6.2874 6.2874 6.6959 6.6959 12.0996 12.0996 14.1112 14.1112 15.2923 15.2923 16.0868 16.0868 16.9510 16.9510 k = 0.0642-0.2604 0.0000 ( 3428 PWs) bands (ev): -12.1211 -12.1211 -10.6134 -10.6134 -10.4674 -10.4674 -10.4419 -10.4419 -10.1317 -10.1317 -10.0854 -10.0854 0.2333 0.2333 1.0139 1.0139 1.6233 1.6233 2.0498 2.0498 2.7457 2.7457 3.6825 3.6825 4.1297 4.1297 4.2909 4.2909 4.3035 4.3035 4.5428 4.5428 4.6763 4.6763 4.8111 4.8111 5.0375 5.0375 5.1907 5.1907 5.4222 5.4222 6.1910 6.1910 6.2979 6.2979 6.6970 6.6970 12.0227 12.0227 14.0913 14.0913 15.2331 15.2331 16.0048 16.0048 16.9105 16.9105 k = 0.0597-0.2418 0.0000 ( 3430 PWs) bands (ev): -12.1402 -12.1402 -10.6207 -10.6207 -10.4771 -10.4771 -10.4480 -10.4480 -10.1385 -10.1385 -10.0920 -10.0920 0.2129 0.2129 1.0075 1.0075 1.6546 1.6546 2.0707 2.0707 2.7530 2.7530 3.7129 3.7129 4.1539 4.1539 4.2830 4.2830 4.3413 4.3413 4.5522 4.5522 4.7037 4.7037 4.8445 4.8445 5.0587 5.0587 5.1811 5.1811 5.4775 5.4775 6.2089 6.2089 6.3075 6.3075 6.6980 6.6980 11.9482 11.9482 14.0716 14.0716 15.1762 15.1762 15.9262 15.9262 16.8670 16.8670 k = 0.0551-0.2232 0.0000 ( 3420 PWs) bands (ev): -12.1580 -12.1580 -10.6277 -10.6277 -10.4862 -10.4862 -10.4537 -10.4537 -10.1450 -10.1450 -10.0983 -10.0983 0.1938 0.1938 1.0013 1.0013 1.6835 1.6835 2.0886 2.0886 2.7608 2.7608 3.7434 3.7434 4.1755 4.1755 4.2728 4.2728 4.3815 4.3815 4.5597 4.5597 4.7254 4.7254 4.8761 4.8761 5.0826 5.0826 5.1718 5.1718 5.5341 5.5341 6.2254 6.2254 6.3159 6.3159 6.6989 6.6989 11.8766 11.8766 14.0521 14.0521 15.1219 15.1219 15.8516 15.8516 16.8220 16.8220 k = 0.0505-0.2046 0.0000 ( 3420 PWs) bands (ev): -12.1744 -12.1744 -10.6342 -10.6342 -10.4947 -10.4947 -10.4590 -10.4590 -10.1510 -10.1510 -10.1041 -10.1041 0.1761 0.1761 0.9953 0.9953 1.7101 1.7101 2.1035 2.1035 2.7692 2.7692 3.7737 3.7737 4.1953 4.1953 4.2618 4.2618 4.4219 4.4219 4.5655 4.5655 4.7421 4.7421 4.9059 4.9059 5.1072 5.1072 5.1642 5.1642 5.5908 5.5908 6.2406 6.2406 6.3234 6.3234 6.6997 6.6997 11.8083 11.8083 14.0332 14.0332 15.0706 15.0706 15.7814 15.7814 16.7768 16.7768 k = 0.0459-0.1860 0.0000 ( 3408 PWs) bands (ev): -12.1894 -12.1894 -10.6403 -10.6403 -10.5025 -10.5025 -10.4641 -10.4641 -10.1566 -10.1566 -10.1095 -10.1095 0.1598 0.1598 0.9895 0.9895 1.7344 1.7344 2.1158 2.1158 2.7778 2.7778 3.8038 3.8038 4.2136 4.2136 4.2501 4.2501 4.4618 4.4618 4.5701 4.5701 4.7543 4.7543 4.9337 4.9337 5.1259 5.1259 5.1639 5.1639 5.6464 5.6464 6.2544 6.2544 6.3299 6.3299 6.7005 6.7005 11.7438 11.7438 14.0151 14.0151 15.0224 15.0224 15.7159 15.7159 16.7326 16.7326 k = 0.0413-0.1674 0.0000 ( 3404 PWs) bands (ev): -12.2031 -12.2031 -10.6459 -10.6459 -10.5096 -10.5096 -10.4687 -10.4687 -10.1616 -10.1616 -10.1144 -10.1144 0.1449 0.1449 0.9841 0.9841 1.7562 1.7562 2.1258 2.1258 2.7864 2.7864 3.8335 3.8335 4.2301 4.2301 4.2381 4.2381 4.5003 4.5003 4.5736 4.5736 4.7630 4.7630 4.9594 4.9594 5.1278 5.1278 5.1808 5.1808 5.7000 5.7000 6.2668 6.2668 6.3354 6.3354 6.7013 6.7013 11.6835 11.6835 13.9979 13.9979 14.9778 14.9778 15.6555 15.6555 16.6903 16.6903 k = 0.0367-0.1488 0.0000 ( 3402 PWs) bands (ev): -12.2154 -12.2154 -10.6509 -10.6509 -10.5159 -10.5159 -10.4729 -10.4729 -10.1662 -10.1662 -10.1188 -10.1188 0.1315 0.1315 0.9792 0.9792 1.7756 1.7756 2.1337 2.1337 2.7948 2.7948 3.8628 3.8628 4.2237 4.2237 4.2469 4.2469 4.5370 4.5370 4.5764 4.5764 4.7688 4.7688 4.9830 4.9830 5.1207 5.1207 5.2059 5.2059 5.7506 5.7506 6.2779 6.2779 6.3400 6.3400 6.7019 6.7019 11.6279 11.6279 13.9819 13.9819 14.9371 14.9371 15.6006 15.6006 16.6508 16.6508 k = 0.0321-0.1302 0.0000 ( 3404 PWs) bands (ev): -12.2262 -12.2262 -10.6555 -10.6555 -10.5216 -10.5216 -10.4766 -10.4766 -10.1703 -10.1703 -10.1228 -10.1228 0.1197 0.1197 0.9747 0.9747 1.7926 1.7926 2.1400 2.1400 2.8027 2.8027 3.8914 3.8914 4.2098 4.2098 4.2612 4.2612 4.5705 4.5705 4.5796 4.5796 4.7722 4.7722 5.0042 5.0042 5.1118 5.1118 5.2315 5.2315 5.7975 5.7975 6.2876 6.2876 6.3437 6.3437 6.7025 6.7025 11.5776 11.5776 13.9673 13.9673 14.9004 14.9004 15.5514 15.5514 16.6145 16.6145 k = 0.0275-0.1116 0.0000 ( 3404 PWs) bands (ev): -12.2356 -12.2356 -10.6595 -10.6595 -10.5266 -10.5266 -10.4799 -10.4799 -10.1738 -10.1738 -10.1262 -10.1262 0.1093 0.1093 0.9707 0.9707 1.8073 1.8073 2.1448 2.1448 2.8099 2.8099 3.9193 3.9193 4.1949 4.1949 4.2742 4.2742 4.5792 4.5792 4.6046 4.6046 4.7736 4.7736 5.0229 5.0229 5.1027 5.1027 5.2554 5.2554 5.8398 5.8398 6.2960 6.2960 6.3467 6.3467 6.7030 6.7030 11.5329 11.5329 13.9542 13.9542 14.8680 14.8680 15.5082 15.5082 16.5822 16.5822 k = 0.0229-0.0930 0.0000 ( 3408 PWs) bands (ev): -12.2436 -12.2436 -10.6629 -10.6629 -10.5308 -10.5308 -10.4827 -10.4827 -10.1768 -10.1768 -10.1292 -10.1292 0.1005 0.1005 0.9673 0.9673 1.8196 1.8196 2.1484 2.1484 2.8163 2.8163 3.9463 3.9463 4.1792 4.1792 4.2856 4.2856 4.5805 4.5805 4.6339 4.6339 4.7732 4.7732 5.0389 5.0389 5.0941 5.0941 5.2768 5.2768 5.8769 5.8769 6.3030 6.3030 6.3489 6.3489 6.7034 6.7034 11.4942 11.4942 13.9428 13.9428 14.8403 14.8403 15.4712 15.4712 16.5541 16.5541 k = 0.0184-0.0744 0.0000 ( 3406 PWs) bands (ev): -12.2502 -12.2502 -10.6657 -10.6657 -10.5342 -10.5342 -10.4850 -10.4850 -10.1793 -10.1793 -10.1316 -10.1316 0.0933 0.0933 0.9644 0.9644 1.8297 1.8297 2.1511 2.1511 2.8217 2.8217 3.9721 3.9721 4.1629 4.1629 4.2951 4.2951 4.5813 4.5813 4.6605 4.6605 4.7710 4.7710 5.0519 5.0519 5.0865 5.0865 5.2949 5.2949 5.9083 5.9083 6.3087 6.3087 6.3504 6.3504 6.7038 6.7038 11.4620 11.4620 13.9333 13.9333 14.8173 14.8173 15.4407 15.4407 16.5307 16.5307 k = 0.0138-0.0558 0.0000 ( 3408 PWs) bands (ev): -12.2553 -12.2553 -10.6679 -10.6679 -10.5369 -10.5369 -10.4868 -10.4868 -10.1812 -10.1812 -10.1335 -10.1335 0.0877 0.0877 0.9622 0.9622 1.8375 1.8375 2.1529 2.1529 2.8260 2.8260 3.9963 3.9963 4.1462 4.1462 4.3027 4.3027 4.5818 4.5818 4.6838 4.6838 4.7672 4.7672 5.0612 5.0612 5.0810 5.0810 5.3094 5.3094 5.9333 5.9333 6.3132 6.3132 6.3515 6.3515 6.7041 6.7041 11.4365 11.4365 13.9258 13.9258 14.7992 14.7992 15.4167 15.4167 16.5122 16.5122 k = 0.0092-0.0372 0.0000 ( 3408 PWs) bands (ev): -12.2589 -12.2589 -10.6694 -10.6694 -10.5388 -10.5388 -10.4881 -10.4881 -10.1826 -10.1826 -10.1348 -10.1348 0.0837 0.0837 0.9605 0.9605 1.8430 1.8430 2.1542 2.1542 2.8291 2.8291 4.0182 4.0182 4.1298 4.1298 4.3083 4.3083 4.5822 4.5822 4.7035 4.7035 4.7616 4.7616 5.0655 5.0655 5.0791 5.0791 5.3199 5.3199 5.9515 5.9515 6.3163 6.3163 6.3521 6.3521 6.7043 6.7043 11.4181 11.4181 13.9203 13.9203 14.7862 14.7862 15.3996 15.3996 16.4988 16.4988 k = 0.0046-0.0186 0.0000 ( 3406 PWs) bands (ev): -12.2611 -12.2611 -10.6704 -10.6704 -10.5400 -10.5400 -10.4889 -10.4889 -10.1834 -10.1834 -10.1356 -10.1356 0.0812 0.0812 0.9596 0.9596 1.8464 1.8464 2.1549 2.1549 2.8310 2.8310 4.0356 4.0356 4.1157 4.1157 4.3116 4.3116 4.5824 4.5824 4.7188 4.7188 4.7550 4.7550 5.0655 5.0655 5.0805 5.0805 5.3263 5.3263 5.9626 5.9626 6.3182 6.3182 6.3524 6.3524 6.7044 6.7044 11.4070 11.4070 13.9170 13.9170 14.7784 14.7784 15.3892 15.3892 16.4908 16.4908 k = 0.0000 0.0000 0.0000 ( 3407 PWs) bands (ev): -12.2618 -12.2618 -10.6707 -10.6707 -10.5404 -10.5404 -10.4892 -10.4892 -10.1837 -10.1837 -10.1359 -10.1359 0.0804 0.0804 0.9592 0.9592 1.8475 1.8475 2.1551 2.1551 2.8316 2.8316 4.0431 4.0431 4.1094 4.1094 4.3128 4.3128 4.5825 4.5825 4.7257 4.7257 4.7510 4.7510 5.0650 5.0650 5.0814 5.0814 5.3285 5.3285 5.9663 5.9663 6.3188 6.3188 6.3525 6.3525 6.7044 6.7044 11.4033 11.4033 13.9159 13.9159 14.7758 14.7758 15.3858 15.3858 16.4881 16.4881 k = 0.0000 0.0000 0.0000 ( 3407 PWs) bands (ev): -12.2618 -12.2618 -10.6707 -10.6707 -10.5404 -10.5404 -10.4892 -10.4892 -10.1837 -10.1837 -10.1359 -10.1359 0.0804 0.0804 0.9592 0.9592 1.8475 1.8475 2.1551 2.1551 2.8316 2.8316 4.0431 4.0431 4.1094 4.1094 4.3128 4.3128 4.5825 4.5825 4.7257 4.7257 4.7510 4.7510 5.0650 5.0650 5.0814 5.0814 5.3285 5.3285 5.9663 5.9663 6.3188 6.3188 6.3525 6.3525 6.7044 6.7044 11.4033 11.4033 13.9159 13.9159 14.7758 14.7758 15.3858 15.3858 16.4881 16.4881 k = 0.0089-0.0170-0.0011 ( 3405 PWs) bands (ev): -12.2611 -12.2611 -10.6709 -10.6709 -10.5401 -10.5401 -10.4884 -10.4884 -10.1835 -10.1835 -10.1356 -10.1356 0.0812 0.0812 0.9594 0.9594 1.8462 1.8462 2.1553 2.1553 2.8311 2.8311 4.0358 4.0358 4.1152 4.1152 4.3119 4.3119 4.5821 4.5821 4.7192 4.7192 4.7552 4.7552 5.0655 5.0655 5.0806 5.0806 5.3264 5.3264 5.9628 5.9628 6.3180 6.3180 6.3524 6.3524 6.7044 6.7044 11.4071 11.4071 13.9168 13.9168 14.7782 14.7782 15.3891 15.3891 16.4904 16.4904 k = 0.0179-0.0340-0.0023 ( 3407 PWs) bands (ev): -12.2589 -12.2589 -10.6716 -10.6716 -10.5392 -10.5392 -10.4861 -10.4861 -10.1829 -10.1829 -10.1346 -10.1346 0.0836 0.0836 0.9600 0.9600 1.8424 1.8424 2.1558 2.1558 2.8295 2.8295 4.0188 4.0188 4.1281 4.1281 4.3094 4.3094 4.5810 4.5810 4.7049 4.7049 4.7625 4.7625 5.0656 5.0656 5.0795 5.0795 5.3204 5.3204 5.9521 5.9521 6.3157 6.3157 6.3519 6.3519 6.7042 6.7042 11.4183 11.4183 13.9196 13.9196 14.7854 14.7854 15.3993 15.3993 16.4976 16.4976 k = 0.0268-0.0510-0.0034 ( 3412 PWs) bands (ev): -12.2552 -12.2552 -10.6726 -10.6726 -10.5377 -10.5377 -10.4823 -10.4823 -10.1818 -10.1818 -10.1330 -10.1330 0.0875 0.0875 0.9611 0.9611 1.8361 1.8361 2.1564 2.1564 2.8268 2.8268 3.9971 3.9971 4.1427 4.1427 4.3055 4.3055 4.5791 4.5791 4.6867 4.6867 4.7692 4.7692 5.0614 5.0614 5.0818 5.0818 5.3104 5.3104 5.9345 5.9345 6.3119 6.3119 6.3511 6.3511 6.7039 6.7039 11.4368 11.4368 13.9241 13.9241 14.7973 14.7973 15.4161 15.4161 16.5094 16.5094 k = 0.0357-0.0680-0.0045 ( 3405 PWs) bands (ev): -12.2501 -12.2501 -10.6740 -10.6740 -10.5355 -10.5355 -10.4772 -10.4772 -10.1803 -10.1803 -10.1307 -10.1307 0.0930 0.0930 0.9625 0.9625 1.8275 1.8275 2.1571 2.1571 2.8231 2.8231 3.9729 3.9729 4.1564 4.1564 4.3009 4.3009 4.5764 4.5764 4.6654 4.6654 4.7747 4.7747 5.0523 5.0523 5.0878 5.0878 5.2966 5.2966 5.9102 5.9102 6.3067 6.3067 6.3499 6.3499 6.7035 6.7035 11.4624 11.4624 13.9304 13.9304 14.8139 14.8139 15.4395 15.4395 16.5257 16.5257 k = 0.0446-0.0850-0.0056 ( 3407 PWs) bands (ev): -12.2435 -12.2435 -10.6756 -10.6756 -10.5326 -10.5326 -10.4709 -10.4709 -10.1783 -10.1783 -10.1279 -10.1279 0.1001 0.1001 0.9643 0.9643 1.8165 1.8165 2.1575 2.1575 2.8184 2.8184 3.9471 3.9471 4.1677 4.1677 4.2965 4.2965 4.5727 4.5727 4.6416 4.6416 4.7787 4.7787 5.0398 5.0398 5.0960 5.0960 5.2794 5.2794 5.8796 5.8796 6.3001 6.3001 6.3481 6.3481 6.7030 6.7030 11.4949 11.4949 13.9384 13.9384 14.8350 14.8350 15.4693 15.4693 16.5464 16.5464 k = 0.0536-0.1020-0.0068 ( 3407 PWs) bands (ev): -12.2355 -12.2355 -10.6773 -10.6773 -10.5290 -10.5290 -10.4636 -10.4636 -10.1759 -10.1759 -10.1244 -10.1244 0.1086 0.1086 0.9665 0.9665 1.8033 1.8033 2.1575 2.1575 2.8128 2.8128 3.9200 3.9200 4.1750 4.1750 4.2937 4.2937 4.5675 4.5675 4.6161 4.6161 4.7811 4.7811 5.0244 5.0244 5.1054 5.1054 5.2590 5.2590 5.8430 5.8430 6.2923 6.2923 6.3459 6.3459 6.7024 6.7024 11.5338 11.5338 13.9480 13.9480 14.8604 14.8604 15.5054 15.5054 16.5713 16.5713 k = 0.0625-0.1190-0.0079 ( 3406 PWs) bands (ev): -12.2260 -12.2260 -10.6792 -10.6792 -10.5246 -10.5246 -10.4553 -10.4553 -10.1731 -10.1731 -10.1204 -10.1204 0.1187 0.1187 0.9690 0.9690 1.7881 1.7881 2.1566 2.1566 2.8064 2.8064 3.8919 3.8919 4.1769 4.1769 4.2941 4.2941 4.5585 4.5585 4.5913 4.5913 4.7816 4.7816 5.0068 5.0068 5.1153 5.1153 5.2361 5.2361 5.8011 5.8011 6.2833 6.2833 6.3430 6.3430 6.7017 6.7017 11.5788 11.5788 13.9591 13.9591 14.8900 14.8900 15.5476 15.5476 16.6000 16.6000 k = 0.0714-0.1359-0.0090 ( 3407 PWs) bands (ev): -12.2151 -12.2151 -10.6810 -10.6810 -10.5194 -10.5194 -10.4463 -10.4463 -10.1698 -10.1698 -10.1159 -10.1159 0.1303 0.1303 0.9719 0.9719 1.7709 1.7709 2.1546 2.1546 2.7993 2.7993 3.8629 3.8629 4.1726 4.1726 4.2986 4.2986 4.5392 4.5392 4.5737 4.5737 4.7796 4.7796 4.9873 4.9873 5.1252 5.1252 5.2116 5.2116 5.7545 5.7545 6.2731 6.2731 6.3396 6.3396 6.7009 6.7009 11.6294 11.6294 13.9716 13.9716 14.9235 14.9235 15.5957 15.5957 16.6321 16.6321 k = 0.0804-0.1529-0.0102 ( 3403 PWs) bands (ev): -12.2027 -12.2027 -10.6827 -10.6827 -10.5134 -10.5134 -10.4366 -10.4366 -10.1660 -10.1660 -10.1108 -10.1108 0.1434 0.1434 0.9751 0.9751 1.7517 1.7517 2.1510 2.1510 2.7918 2.7918 3.8334 3.8334 4.1626 4.1626 4.3068 4.3068 4.5094 4.5094 4.5640 4.5640 4.7743 4.7743 4.9664 4.9664 5.1332 5.1332 5.1875 5.1875 5.7038 5.7038 6.2618 6.2618 6.3355 6.3355 6.7000 6.7000 11.6852 11.6852 13.9853 13.9853 14.9608 14.9608 15.6492 15.6492 16.6674 16.6674 k = 0.0893-0.1699-0.0113 ( 3409 PWs) bands (ev): -12.1890 -12.1890 -10.6843 -10.6843 -10.5068 -10.5068 -10.4263 -10.4263 -10.1618 -10.1618 -10.1053 -10.1053 0.1579 0.1579 0.9787 0.9787 1.7308 1.7308 2.1455 2.1455 2.7839 2.7839 3.8033 3.8033 4.1481 4.1481 4.3175 4.3175 4.4749 4.4749 4.5565 4.5565 4.7646 4.7646 4.9447 4.9447 5.1327 5.1327 5.1713 5.1713 5.6501 5.6501 6.2493 6.2493 6.3308 6.3308 6.6990 6.6990 11.7457 11.7457 14.0002 14.0002 15.0014 15.0014 15.7081 15.7081 16.7051 16.7051 k = 0.0982-0.1869-0.0124 ( 3419 PWs) bands (ev): -12.1738 -12.1738 -10.6857 -10.6857 -10.4994 -10.4994 -10.4155 -10.4155 -10.1572 -10.1572 -10.0993 -10.0993 0.1738 0.1738 0.9825 0.9825 1.7081 1.7081 2.1377 2.1377 2.7759 2.7759 3.7730 3.7730 4.1303 4.1303 4.3293 4.3293 4.4383 4.4383 4.5491 4.5491 4.7494 4.7494 4.9228 4.9228 5.1152 5.1152 5.1721 5.1721 5.5942 5.5942 6.2357 6.2357 6.3253 6.3253 6.6979 6.6979 11.8103 11.8103 14.0159 14.0159 15.0453 15.0453 15.7718 15.7718 16.7448 16.7448 k = 0.1071-0.2039-0.0135 ( 3420 PWs) bands (ev): -12.1573 -12.1573 -10.6868 -10.6868 -10.4913 -10.4913 -10.4043 -10.4043 -10.1521 -10.1521 -10.0930 -10.0930 0.1911 0.1911 0.9865 0.9865 1.6838 1.6838 2.1272 2.1272 2.7681 2.7681 3.7424 3.7424 4.1100 4.1100 4.3399 4.3399 4.4018 4.4018 4.5412 4.5412 4.7277 4.7277 4.9009 4.9009 5.0914 5.0914 5.1803 5.1803 5.5372 5.5372 6.2210 6.2210 6.3192 6.3192 6.6968 6.6968 11.8787 11.8787 14.0324 14.0324 15.0922 15.0922 15.8401 15.8401 16.7857 16.7857 k = 0.1161-0.2209-0.0147 ( 3417 PWs) bands (ev): -12.1395 -12.1395 -10.6876 -10.6876 -10.4825 -10.4825 -10.3927 -10.3927 -10.1465 -10.1465 -10.0862 -10.0862 0.2097 0.2097 0.9908 0.9908 1.6578 1.6578 2.1137 2.1137 2.7607 2.7607 3.7118 3.7118 4.0877 4.0877 4.3380 4.3380 4.3764 4.3764 4.5326 4.5326 4.6990 4.6990 4.8784 4.8784 5.0683 5.0683 5.1901 5.1901 5.4804 5.4804 6.2052 6.2052 6.3123 6.3123 6.6956 6.6956 11.9502 11.9502 14.0496 14.0496 15.1417 15.1417 15.9125 15.9125 16.8270 16.8270 k = 0.1250-0.2379-0.0158 ( 3419 PWs) bands (ev): -12.1202 -12.1202 -10.6881 -10.6881 -10.4731 -10.4731 -10.3809 -10.3809 -10.1406 -10.1406 -10.0791 -10.0791 0.2295 0.2295 0.9952 0.9952 1.6303 1.6303 2.0969 2.0969 2.7537 2.7537 3.6814 3.6814 4.0637 4.0637 4.3067 4.3067 4.3785 4.3785 4.5228 4.5228 4.6637 4.6637 4.8547 4.8547 5.0480 5.0480 5.1999 5.1999 5.4251 5.4251 6.1883 6.1883 6.3046 6.3046 6.6944 6.6944 12.0246 12.0246 14.0671 14.0671 15.1936 15.1936 15.9886 15.9886 16.8674 16.8674 k = 0.1339-0.2549-0.0169 ( 3420 PWs) bands (ev): -12.0997 -12.0997 -10.6882 -10.6882 -10.4630 -10.4630 -10.3690 -10.3690 -10.1342 -10.1342 -10.0717 -10.0717 0.2506 0.2506 0.9997 0.9997 1.6013 1.6013 2.0767 2.0767 2.7474 2.7474 3.6513 3.6513 4.0380 4.0380 4.2664 4.2664 4.3867 4.3867 4.5118 4.5118 4.6232 4.6232 4.8292 4.8292 5.0312 5.0312 5.2089 5.2089 5.3732 5.3732 6.1704 6.1704 6.2961 6.2961 6.6930 6.6930 12.1013 12.1013 14.0847 14.0847 15.2476 15.2476 16.0680 16.0680 16.9054 16.9054 k = 0.1429-0.2719-0.0181 ( 3429 PWs) bands (ev): -12.0779 -12.0779 -10.6879 -10.6879 -10.4523 -10.4523 -10.3569 -10.3569 -10.1275 -10.1275 -10.0640 -10.0640 0.2728 0.2728 1.0043 1.0043 1.5709 1.5709 2.0532 2.0532 2.7416 2.7416 3.6216 3.6216 4.0107 4.0107 4.2248 4.2248 4.3916 4.3916 4.4991 4.4991 4.5799 4.5799 4.8022 4.8022 5.0178 5.0178 5.2162 5.2162 5.3268 5.3268 6.1514 6.1514 6.2869 6.2869 6.6917 6.6917 12.1798 12.1798 14.1024 14.1024 15.3035 15.3035 16.1500 16.1500 16.9384 16.9384 k = 0.1518-0.2889-0.0192 ( 3434 PWs) bands (ev): -12.0548 -12.0548 -10.6873 -10.6873 -10.4411 -10.4411 -10.3448 -10.3448 -10.1203 -10.1203 -10.0560 -10.0560 0.2962 0.2962 1.0088 1.0088 1.5391 1.5391 2.0262 2.0262 2.7364 2.7364 3.5925 3.5925 3.9815 3.9815 4.1834 4.1834 4.3868 4.3868 4.4845 4.4845 4.5385 4.5385 4.7750 4.7750 5.0069 5.0069 5.2185 5.2185 5.2905 5.2905 6.1315 6.1315 6.2768 6.2768 6.6903 6.6903 12.2598 12.2598 14.1199 14.1199 15.3611 15.3611 16.2340 16.2340 16.9619 16.9619 k = 0.1607-0.3059-0.0203 ( 3435 PWs) bands (ev): -12.0304 -12.0304 -10.6863 -10.6863 -10.4294 -10.4294 -10.3328 -10.3328 -10.1128 -10.1128 -10.0479 -10.0479 0.3205 0.3205 1.0133 1.0133 1.5060 1.5060 1.9962 1.9962 2.7315 2.7315 3.5643 3.5643 3.9500 3.9500 4.1433 4.1433 4.3640 4.3640 4.4673 4.4673 4.5065 4.5065 4.7498 4.7498 4.9973 4.9973 5.2089 5.2089 5.2722 5.2722 6.1106 6.1106 6.2660 6.2660 6.6888 6.6888 12.3410 12.3410 14.1369 14.1369 15.4201 15.4201 16.3192 16.3192 16.9700 16.9700 k = 0.1696-0.3229-0.0214 ( 3431 PWs) bands (ev): -12.0049 -12.0049 -10.6849 -10.6849 -10.4171 -10.4171 -10.3208 -10.3208 -10.1050 -10.1050 -10.0395 -10.0395 0.3457 0.3457 1.0176 1.0176 1.4716 1.4716 1.9632 1.9632 2.7267 2.7267 3.5370 3.5370 3.9156 3.9156 4.1052 4.1052 4.3192 4.3192 4.4473 4.4473 4.4860 4.4860 4.7295 4.7295 4.9881 4.9881 5.1892 5.1892 5.2710 5.2710 6.0888 6.0888 6.2542 6.2542 6.6873 6.6873 12.4228 12.4228 14.1533 14.1533 15.4803 15.4803 16.4046 16.4046 16.9620 16.9620 k = 0.1786-0.3399-0.0226 ( 3436 PWs) bands (ev): -11.9781 -11.9781 -10.6832 -10.6832 -10.4044 -10.4044 -10.3090 -10.3090 -10.0969 -10.0969 -10.0310 -10.0310 0.3718 0.3718 1.0216 1.0216 1.4360 1.4360 1.9278 1.9278 2.7217 2.7217 3.5108 3.5108 3.8783 3.8783 4.0699 4.0699 4.2586 4.2586 4.4235 4.4235 4.4706 4.4706 4.7169 4.7169 4.9785 4.9785 5.1698 5.1698 5.2767 5.2767 6.0662 6.0662 6.2417 6.2417 6.6858 6.6858 12.5051 12.5051 14.1688 14.1688 15.5414 15.5414 16.4886 16.4886 16.9415 16.9415 k = 0.1875-0.3569-0.0237 ( 3439 PWs) bands (ev): -11.9502 -11.9502 -10.6810 -10.6810 -10.3913 -10.3913 -10.2975 -10.2975 -10.0884 -10.0884 -10.0224 -10.0224 0.3986 0.3986 1.0254 1.0254 1.3992 1.3992 1.8903 1.8903 2.7161 2.7161 3.4857 3.4857 3.8377 3.8377 4.0372 4.0372 4.1888 4.1888 4.3954 4.3954 4.4545 4.4545 4.7133 4.7133 4.9682 4.9682 5.1551 5.1551 5.2846 5.2846 6.0427 6.0427 6.2282 6.2282 6.6843 6.6843 12.5875 12.5875 14.1833 14.1833 15.6032 15.6032 16.5687 16.5687 16.9124 16.9124 k = 0.1964-0.3739-0.0248 ( 3441 PWs) bands (ev): -11.9212 -11.9212 -10.6785 -10.6785 -10.3777 -10.3777 -10.2863 -10.2863 -10.0797 -10.0797 -10.0136 -10.0136 0.4260 0.4260 1.0287 1.0287 1.3614 1.3614 1.8513 1.8513 2.7097 2.7097 3.4620 3.4620 3.7944 3.7944 4.0063 4.0063 4.1140 4.1140 4.3627 4.3627 4.4367 4.4367 4.7180 4.7180 4.9575 4.9575 5.1456 5.1456 5.2933 5.2933 6.0186 6.0186 6.2139 6.2139 6.6828 6.6828 12.6696 12.6696 14.1966 14.1966 15.6655 15.6655 16.6394 16.6394 16.8800 16.8800 k = 0.2054-0.3909-0.0260 ( 3442 PWs) bands (ev): -11.8911 -11.8911 -10.6757 -10.6757 -10.3639 -10.3639 -10.2755 -10.2755 -10.0707 -10.0707 -10.0047 -10.0047 0.4539 0.4539 1.0315 1.0315 1.3226 1.3226 1.8111 1.8111 2.7021 2.7021 3.4395 3.4395 3.7487 3.7487 3.9734 3.9734 4.0396 4.0396 4.3265 4.3265 4.4177 4.4177 4.7291 4.7291 4.9467 4.9467 5.1405 5.1405 5.3026 5.3026 5.9938 5.9938 6.1987 6.1987 6.6813 6.6813 12.7512 12.7512 14.2084 14.2084 15.7281 15.7281 16.6872 16.6872 16.8556 16.8556 k = 0.2143-0.4078-0.0271 ( 3443 PWs) bands (ev): -11.8600 -11.8600 -10.6725 -10.6725 -10.3497 -10.3497 -10.2653 -10.2653 -10.0615 -10.0615 -9.9958 -9.9958 0.4821 0.4821 1.0338 1.0338 1.2828 1.2828 1.7703 1.7703 2.6931 2.6931 3.4183 3.4183 3.7014 3.7014 3.9220 3.9220 3.9826 3.9826 4.2882 4.2882 4.3984 4.3984 4.7446 4.7446 4.9363 4.9363 5.1389 5.1389 5.3122 5.3122 5.9684 5.9684 6.1826 6.1826 6.6798 6.6798 12.8320 12.8320 14.2186 14.2186 15.7907 15.7907 16.6895 16.6895 16.8579 16.8579 k = 0.2232-0.4248-0.0282 ( 3450 PWs) bands (ev): -11.8278 -11.8278 -10.6690 -10.6690 -10.3352 -10.3352 -10.2556 -10.2556 -10.0522 -10.0522 -9.9868 -9.9868 0.5104 0.5104 1.0353 1.0353 1.2422 1.2422 1.7295 1.7295 2.6825 2.6825 3.3980 3.3980 3.6529 3.6529 3.8451 3.8451 3.9503 3.9503 4.2495 4.2495 4.3792 4.3792 4.7631 4.7631 4.9265 4.9265 5.1400 5.1400 5.3222 5.3222 5.9425 5.9425 6.1657 6.1657 6.6783 6.6783 12.9117 12.9117 14.2271 14.2271 15.8528 15.8528 16.6525 16.6525 16.8751 16.8751 k = 0.2321-0.4418-0.0293 ( 3453 PWs) bands (ev): -11.7947 -11.7947 -10.6651 -10.6651 -10.3205 -10.3205 -10.2467 -10.2467 -10.0426 -10.0426 -9.9778 -9.9778 0.5387 0.5387 1.0360 1.0360 1.2009 1.2009 1.6890 1.6890 2.6701 2.6701 3.3785 3.3785 3.6038 3.6038 3.7601 3.7601 3.9258 3.9258 4.2117 4.2117 4.3609 4.3609 4.7833 4.7833 4.9173 4.9173 5.1432 5.1432 5.3325 5.3325 5.9162 5.9162 6.1479 6.1479 6.6768 6.6768 12.9901 12.9901 14.2338 14.2338 15.9140 15.9140 16.5993 16.5993 16.8818 16.8818 k = 0.2411-0.4588-0.0305 ( 3454 PWs) bands (ev): -11.7607 -11.7607 -10.6610 -10.6610 -10.3056 -10.3056 -10.2385 -10.2385 -10.0330 -10.0330 -9.9688 -9.9688 0.5667 0.5667 1.0357 1.0357 1.1592 1.1592 1.6495 1.6495 2.6558 2.6558 3.3591 3.3591 3.5542 3.5542 3.6736 3.6736 3.9033 3.9033 4.1759 4.1759 4.3437 4.3437 4.8045 4.8045 4.9089 4.9089 5.1478 5.1478 5.3434 5.3434 5.8897 5.8897 6.1292 6.1292 6.6754 6.6754 13.0668 13.0668 14.2386 14.2386 15.9735 15.9735 16.5407 16.5407 16.8729 16.8729 k = 0.2500-0.4758-0.0316 ( 3455 PWs) bands (ev): -11.7258 -11.7258 -10.6567 -10.6567 -10.2906 -10.2906 -10.2312 -10.2312 -10.0232 -10.0232 -9.9597 -9.9597 0.5943 0.5943 1.0340 1.0340 1.1174 1.1174 1.6114 1.6114 2.6396 2.6396 3.3389 3.3389 3.5036 3.5036 3.5889 3.5889 3.8813 3.8813 4.1426 4.1426 4.3282 4.3282 4.8260 4.8260 4.9010 4.9010 5.1536 5.1536 5.3548 5.3548 5.8629 5.8629 6.1096 6.1096 6.6740 6.6740 13.1417 13.1417 14.2415 14.2415 16.0299 16.0299 16.4813 16.4813 16.8523 16.8523 k = 0.2589-0.4928-0.0327 ( 3460 PWs) bands (ev): -11.6900 -11.6900 -10.6521 -10.6521 -10.2755 -10.2755 -10.2248 -10.2248 -10.0133 -10.0133 -9.9506 -9.9506 0.6210 0.6210 1.0292 1.0292 1.0775 1.0775 1.5752 1.5752 2.6214 2.6214 3.3162 3.3162 3.4493 3.4493 3.5115 3.5115 3.8593 3.8593 4.1120 4.1120 4.3149 4.3149 4.8474 4.8474 4.8935 4.8935 5.1601 5.1601 5.3669 5.3669 5.8362 5.8362 6.0893 6.0893 6.6727 6.6727 13.2143 13.2143 14.2425 14.2425 16.0804 16.0804 16.4253 16.4253 16.8246 16.8246 k = 0.2679-0.5098-0.0339 ( 3460 PWs) bands (ev): -11.6535 -11.6535 -10.6474 -10.6474 -10.2604 -10.2604 -10.2195 -10.2195 -10.0033 -10.0033 -9.9416 -9.9416 0.6467 0.6467 1.0121 1.0121 1.0486 1.0486 1.5413 1.5413 2.6011 2.6011 3.2860 3.2860 3.3890 3.3890 3.4493 3.4493 3.8374 3.8374 4.0839 4.0839 4.3044 4.3044 4.8677 4.8677 4.8868 4.8868 5.1672 5.1672 5.3798 5.3798 5.8095 5.8095 6.0682 6.0682 6.6714 6.6714 13.2845 13.2845 14.2418 14.2418 16.1188 16.1188 16.3792 16.3792 16.7931 16.7931 k = 0.2768-0.5268-0.0350 ( 3458 PWs) bands (ev): -11.6162 -11.6162 -10.6424 -10.6424 -10.2452 -10.2452 -10.2154 -10.2154 -9.9933 -9.9933 -9.9325 -9.9325 0.6710 0.6710 0.9760 0.9760 1.0378 1.0378 1.5102 1.5102 2.5787 2.5787 3.2381 3.2381 3.3342 3.3342 3.4019 3.4019 3.8156 3.8156 4.0578 4.0578 4.2972 4.2972 4.8765 4.8765 4.8908 4.8908 5.1745 5.1745 5.3935 5.3935 5.7830 5.7830 6.0465 6.0465 6.6702 6.6702 13.3517 13.3517 14.2397 14.2397 16.1333 16.1333 16.3545 16.3545 16.7602 16.7602 k = 0.2857-0.5438-0.0361 ( 3460 PWs) bands (ev): -11.5783 -11.5783 -10.6373 -10.6373 -10.2303 -10.2303 -10.2124 -10.2124 -9.9833 -9.9833 -9.9235 -9.9235 0.6935 0.6935 0.9339 0.9339 1.0322 1.0322 1.4823 1.4823 2.5541 2.5541 3.1688 3.1688 3.2946 3.2946 3.3641 3.3641 3.7946 3.7946 4.0331 4.0331 4.2935 4.2935 4.8701 4.8701 4.9091 4.9091 5.1820 5.1820 5.4081 5.4081 5.7569 5.7569 6.0241 6.0241 6.6690 6.6690 13.4156 13.4156 14.2364 14.2364 16.1157 16.1157 16.3583 16.3583 16.7281 16.7281 k = 0.2946-0.5608-0.0372 ( 3462 PWs) bands (ev): -11.5398 -11.5398 -10.6322 -10.6322 -10.2162 -10.2162 -10.2099 -10.2099 -9.9732 -9.9732 -9.9146 -9.9146 0.7138 0.7138 0.8907 0.8907 1.0272 1.0272 1.4580 1.4580 2.5269 2.5269 3.0894 3.0894 3.2616 3.2616 3.3338 3.3338 3.7744 3.7744 4.0092 4.0092 4.2936 4.2936 4.8624 4.8624 4.9272 4.9272 5.1892 5.1892 5.4237 5.4237 5.7313 5.7313 6.0013 6.0013 6.6680 6.6680 13.4755 13.4755 14.2326 14.2326 16.0756 16.0756 16.3785 16.3785 16.6990 16.6990 k = 0.3036-0.5778-0.0384 ( 3458 PWs) bands (ev): -11.5007 -11.5007 -10.6269 -10.6269 -10.2115 -10.2115 -10.1995 -10.1995 -9.9632 -9.9632 -9.9058 -9.9058 0.7314 0.7314 0.8480 0.8480 1.0219 1.0219 1.4376 1.4376 2.4970 2.4970 3.0077 3.0077 3.2297 3.2297 3.3101 3.3101 3.7554 3.7554 3.9857 3.9857 4.2973 4.2973 4.8542 4.8542 4.9442 4.9442 5.1961 5.1961 5.4401 5.4401 5.7064 5.7064 5.9780 5.9780 6.6670 6.6670 13.5308 13.5308 14.2290 14.2290 16.0261 16.0261 16.3986 16.3986 16.6751 16.6751 k = 0.3125-0.5948-0.0395 ( 3456 PWs) bands (ev): -11.4611 -11.4611 -10.6216 -10.6216 -10.2125 -10.2125 -10.1851 -10.1851 -9.9533 -9.9533 -9.8971 -9.8971 0.7442 0.7442 0.8077 0.8077 1.0160 1.0160 1.4215 1.4215 2.4640 2.4640 2.9270 2.9270 3.1981 3.1981 3.2914 3.2914 3.7374 3.7374 3.9627 3.9627 4.3045 4.3045 4.8455 4.8455 4.9601 4.9601 5.2024 5.2024 5.4572 5.4572 5.6821 5.6821 5.9547 5.9547 6.6661 6.6661 13.5807 13.5807 14.2264 14.2264 15.9736 15.9736 16.4086 16.4086 16.6569 16.6569 k = 0.3214-0.6118-0.0406 ( 3453 PWs) bands (ev): -11.4211 -11.4211 -10.6163 -10.6163 -10.2151 -10.2151 -10.1708 -10.1708 -9.9434 -9.9434 -9.8885 -9.8885 0.7406 0.7406 0.7821 0.7821 1.0094 1.0094 1.4097 1.4097 2.4274 2.4274 2.8490 2.8490 3.1674 3.1674 3.2767 3.2767 3.7202 3.7202 3.9402 3.9402 4.3149 4.3149 4.8361 4.8361 4.9749 4.9749 5.2079 5.2079 5.4750 5.4750 5.6588 5.6588 5.9313 5.9313 6.6653 6.6653 13.6243 13.6243 14.2259 14.2259 15.9209 15.9209 16.4048 16.4048 16.6406 16.6406 k = 0.3304-0.6288-0.0418 ( 3451 PWs) bands (ev): -11.3807 -11.3807 -10.6111 -10.6111 -10.2194 -10.2194 -10.1567 -10.1567 -9.9336 -9.9336 -9.8802 -9.8802 0.7083 0.7083 0.7836 0.7836 1.0019 1.0019 1.4023 1.4023 2.3868 2.3868 2.7750 2.7750 3.1382 3.1382 3.2654 3.2654 3.7034 3.7034 3.9187 3.9187 4.3279 4.3279 4.8262 4.8262 4.9884 4.9884 5.2126 5.2126 5.4930 5.4930 5.6364 5.6364 5.9083 5.9083 6.6645 6.6645 13.6606 13.6606 14.2287 14.2287 15.8692 15.8692 16.3892 16.3892 16.6195 16.6195 k = 0.3393-0.6458-0.0429 ( 3456 PWs) bands (ev): -11.3400 -11.3400 -10.6059 -10.6059 -10.2251 -10.2251 -10.1430 -10.1430 -9.9240 -9.9240 -9.8720 -9.8720 0.6689 0.6689 0.7909 0.7909 0.9937 0.9937 1.3991 1.3991 2.3417 2.3417 2.7059 2.7059 3.1110 3.1110 3.2572 3.2572 3.6862 3.6862 3.8984 3.8984 4.3432 4.3432 4.8156 4.8156 5.0008 5.0008 5.2164 5.2164 5.5110 5.5110 5.6150 5.6150 5.8860 5.8860 6.6639 6.6639 13.6888 13.6888 14.2357 14.2357 15.8193 15.8193 16.3658 16.3658 16.5893 16.5893 k = 0.3482-0.6627-0.0440 ( 3459 PWs) bands (ev): -11.2991 -11.2991 -10.6008 -10.6008 -10.2325 -10.2325 -10.1297 -10.1297 -9.9146 -9.9146 -9.8642 -9.8642 0.6292 0.6292 0.7980 0.7980 0.9849 0.9849 1.3998 1.3998 2.2920 2.2920 2.6424 2.6424 3.0862 3.0862 3.2521 3.2521 3.6681 3.6681 3.8801 3.8801 4.3604 4.3604 4.8044 4.8044 5.0120 5.0120 5.2191 5.2191 5.5284 5.5284 5.5947 5.5947 5.8648 5.8648 6.6633 6.6633 13.7083 13.7083 14.2478 14.2478 15.7714 15.7714 16.3381 16.3381 16.5510 16.5510 k = 0.3571-0.6797-0.0451 ( 3452 PWs) bands (ev): -11.2580 -11.2580 -10.5959 -10.5959 -10.2414 -10.2414 -10.1168 -10.1168 -9.9054 -9.9054 -9.8566 -9.8566 0.5903 0.5903 0.8041 0.8041 0.9756 0.9756 1.4037 1.4037 2.2379 2.2379 2.5849 2.5849 3.0639 3.0639 3.2499 3.2499 3.6484 3.6484 3.8640 3.8640 4.3791 4.3791 4.7928 4.7928 5.0222 5.0222 5.2209 5.2209 5.5441 5.5441 5.5763 5.5763 5.8452 5.8452 6.6628 6.6628 13.7195 13.7195 14.2650 14.2650 15.7259 15.7259 16.3084 16.3084 16.5078 16.5078 k = 0.3661-0.6967-0.0463 ( 3449 PWs) bands (ev): -11.2168 -11.2168 -10.5912 -10.5912 -10.2518 -10.2518 -10.1044 -10.1044 -9.8964 -9.8964 -9.8494 -9.8494 0.5528 0.5528 0.8092 0.8092 0.9663 0.9663 1.4103 1.4103 2.1800 2.1800 2.5331 2.5331 3.0442 3.0442 3.2506 3.2506 3.6268 3.6268 3.8504 3.8504 4.3988 4.3988 4.7808 4.7808 5.0313 5.0313 5.2216 5.2216 5.5488 5.5488 5.5680 5.5680 5.8279 5.8279 6.6624 6.6624 13.7229 13.7229 14.2868 14.2868 15.6827 15.6827 16.2781 16.2781 16.4627 16.4627 k = 0.3750-0.7137-0.0474 ( 3453 PWs) bands (ev): -11.1757 -11.1757 -10.5868 -10.5868 -10.2638 -10.2638 -10.0925 -10.0925 -9.8878 -9.8878 -9.8425 -9.8425 0.5168 0.5168 0.8133 0.8133 0.9576 0.9576 1.4187 1.4187 2.1195 2.1195 2.4866 2.4866 3.0275 3.0275 3.2539 3.2539 3.6031 3.6031 3.8394 3.8394 4.4193 4.4193 4.7685 4.7685 5.0394 5.0394 5.2215 5.2215 5.5339 5.5339 5.5780 5.5780 5.8135 5.8135 6.6621 6.6621 13.7199 13.7199 14.3123 14.3123 15.6419 15.6419 16.2479 16.2479 16.4176 16.4176 k = 0.3839-0.7307-0.0485 ( 3454 PWs) bands (ev): -11.1346 -11.1346 -10.5827 -10.5827 -10.2772 -10.2772 -10.0812 -10.0812 -9.8794 -9.8794 -9.8361 -9.8361 0.4825 0.4825 0.8164 0.8164 0.9501 0.9501 1.4281 1.4281 2.0575 2.0575 2.4447 2.4447 3.0139 3.0139 3.2596 3.2596 3.5775 3.5775 3.8306 3.8306 4.4401 4.4401 4.7563 4.7563 5.0464 5.0464 5.2205 5.2205 5.5161 5.5161 5.5888 5.5888 5.8028 5.8028 6.6618 6.6618 13.7118 13.7118 14.3403 14.3403 15.6038 15.6038 16.2185 16.2185 16.3739 16.3739 k = 0.3929-0.7477-0.0497 ( 3452 PWs) bands (ev): -11.0937 -11.0937 -10.5789 -10.5789 -10.2921 -10.2921 -10.0706 -10.0706 -9.8714 -9.8714 -9.8301 -9.8301 0.4503 0.4503 0.8183 0.8183 0.9449 0.9449 1.4378 1.4378 1.9954 1.9954 2.4068 2.4068 3.0034 3.0034 3.2671 3.2671 3.5503 3.5503 3.8237 3.8237 4.4609 4.4609 4.7443 4.7443 5.0524 5.0524 5.2189 5.2189 5.4979 5.4979 5.5972 5.5972 5.7961 5.7961 6.6616 6.6616 13.7000 13.7000 14.3697 14.3697 15.5682 15.5682 16.1900 16.1900 16.3323 16.3323 k = 0.4018-0.7647-0.0508 ( 3457 PWs) bands (ev): -11.0531 -11.0531 -10.5756 -10.5756 -10.3083 -10.3083 -10.0607 -10.0607 -9.8638 -9.8638 -9.8246 -9.8246 0.4201 0.4201 0.8186 0.8186 0.9427 0.9427 1.4468 1.4468 1.9343 1.9343 2.3724 2.3724 2.9961 2.9961 3.2761 3.2761 3.5222 3.5222 3.8182 3.8182 4.4813 4.4813 4.7329 4.7329 5.0573 5.0573 5.2169 5.2169 5.4794 5.4794 5.6030 5.6030 5.7935 5.7935 6.6615 6.6615 13.6858 13.6858 14.3996 14.3996 15.5352 15.5352 16.1628 16.1628 16.2934 16.2934 k = 0.4107-0.7817-0.0519 ( 3456 PWs) bands (ev): -11.0128 -11.0128 -10.5729 -10.5729 -10.3257 -10.3257 -10.0515 -10.0515 -9.8566 -9.8566 -9.8196 -9.8196 0.3921 0.3921 0.8170 0.8170 0.9443 0.9443 1.4542 1.4542 1.8757 1.8757 2.3412 2.3412 2.9922 2.9922 3.2856 3.2856 3.4939 3.4939 3.8137 3.8137 4.5007 4.5007 4.7225 4.7225 5.0612 5.0612 5.2146 5.2146 5.4607 5.4607 5.6065 5.6065 5.7946 5.7946 6.6614 6.6614 13.6701 13.6701 14.4290 14.4290 15.5050 15.5050 16.1371 16.1371 16.2576 16.2576 k = 0.4196-0.7987-0.0530 ( 3457 PWs) bands (ev): -10.9729 -10.9729 -10.5709 -10.5709 -10.3442 -10.3442 -10.0430 -10.0430 -9.8499 -9.8499 -9.8150 -9.8150 0.3665 0.3665 0.8137 0.8137 0.9499 0.9499 1.4589 1.4589 1.8208 1.8208 2.3130 2.3130 2.9916 2.9916 3.2946 3.2946 3.4665 3.4665 3.8099 3.8099 4.5186 4.5186 4.7137 4.7137 5.0639 5.0639 5.2123 5.2123 5.4421 5.4421 5.6082 5.6082 5.7985 5.7985 6.6613 6.6613 13.6539 13.6539 14.4572 14.4572 15.4774 15.4774 16.1129 16.1129 16.2250 16.2250 k = 0.4286-0.8157-0.0542 ( 3453 PWs) bands (ev): -10.9336 -10.9336 -10.5698 -10.5698 -10.3635 -10.3635 -10.0353 -10.0353 -9.8438 -9.8438 -9.8110 -9.8110 0.3433 0.3433 0.8091 0.8091 0.9595 0.9595 1.4594 1.4594 1.7713 1.7713 2.2876 2.2876 2.9942 2.9942 3.3013 3.3013 3.4416 3.4416 3.8063 3.8063 4.5345 4.5345 4.7069 4.7069 5.0654 5.0654 5.2101 5.2101 5.4236 5.4236 5.6088 5.6088 5.8042 5.8042 6.6612 6.6612 13.6379 13.6379 14.4838 14.4838 15.4527 15.4527 16.0906 16.0906 16.1959 16.1959 k = 0.4375-0.8327-0.0553 ( 3454 PWs) bands (ev): -10.8950 -10.8950 -10.5698 -10.5698 -10.3832 -10.3832 -10.0285 -10.0285 -9.8381 -9.8381 -9.8076 -9.8076 0.3226 0.3226 0.8036 0.8036 0.9727 0.9727 1.4542 1.4542 1.7292 1.7292 2.2651 2.2651 3.0000 3.0000 3.3029 3.3029 3.4222 3.4222 3.8029 3.8029 4.5476 4.5476 4.7027 4.7027 5.0658 5.0658 5.2084 5.2084 5.4058 5.4058 5.6088 5.6088 5.8110 5.8110 6.6612 6.6612 13.6226 13.6226 14.5082 14.5082 15.4307 15.4307 16.0701 16.0701 16.1704 16.1704 k = 0.4464-0.8497-0.0564 ( 3458 PWs) bands (ev): -10.8573 -10.8573 -10.5715 -10.5715 -10.4029 -10.4029 -10.0225 -10.0225 -9.8331 -9.8331 -9.8047 -9.8047 0.3045 0.3045 0.7979 0.7979 0.9888 0.9888 1.4420 1.4420 1.6961 1.6961 2.2454 2.2454 3.0087 3.0087 3.2961 3.2961 3.4111 3.4111 3.7996 3.7996 4.5576 4.5576 4.7015 4.7015 5.0651 5.0651 5.2071 5.2071 5.3889 5.3889 5.6085 5.6085 5.8180 5.8180 6.6612 6.6612 13.6085 13.6085 14.5300 14.5300 15.4116 15.4116 16.0519 16.0519 16.1483 16.1483 k = 0.4554-0.8667-0.0576 ( 3462 PWs) bands (ev): -10.8205 -10.8205 -10.5755 -10.5755 -10.4217 -10.4217 -10.0174 -10.0174 -9.8287 -9.8287 -9.8023 -9.8023 0.2891 0.2891 0.7924 0.7924 1.0072 1.0072 1.4226 1.4226 1.6726 1.6726 2.2286 2.2286 3.0199 3.0199 3.2807 3.2807 3.4086 3.4086 3.7963 3.7963 4.5643 4.5643 4.7031 4.7031 5.0635 5.0635 5.2065 5.2065 5.3735 5.3735 5.6083 5.6083 5.8246 5.8246 6.6612 6.6612 13.5960 13.5960 14.5490 14.5490 15.3954 15.3954 16.0360 16.0360 16.1298 16.1298 k = 0.4643-0.8837-0.0587 ( 3457 PWs) bands (ev): -10.7850 -10.7850 -10.5825 -10.5825 -10.4388 -10.4388 -10.0132 -10.0132 -9.8249 -9.8249 -9.8004 -9.8004 0.2764 0.2764 0.7874 0.7874 1.0270 1.0270 1.3979 1.3979 1.6575 1.6575 2.2147 2.2147 3.0333 3.0333 3.2599 3.2599 3.4115 3.4115 3.7932 3.7932 4.5682 4.5682 4.7068 4.7068 5.0613 5.0613 5.2064 5.2064 5.3599 5.3599 5.6081 5.6081 5.8305 5.8305 6.6613 6.6613 13.5853 13.5853 14.5649 14.5649 15.3821 15.3821 16.0227 16.0227 16.1148 16.1148 k = 0.4732-0.9007-0.0598 ( 3457 PWs) bands (ev): -10.7510 -10.7510 -10.5933 -10.5933 -10.4530 -10.4530 -10.0099 -10.0099 -9.8220 -9.8220 -9.7989 -9.7989 0.2665 0.2665 0.7834 0.7834 1.0468 1.0468 1.3715 1.3715 1.6487 1.6487 2.2038 2.2038 3.0480 3.0480 3.2375 3.2375 3.4165 3.4165 3.7905 3.7905 4.5701 4.5701 4.7114 4.7114 5.0589 5.0589 5.2067 5.2067 5.3487 5.3487 5.6080 5.6080 5.8353 5.8353 6.6613 6.6613 13.5768 13.5768 14.5775 14.5775 15.3717 15.3717 16.0121 16.0121 16.1031 16.1031 k = 0.4821-0.9177-0.0609 ( 3460 PWs) bands (ev): -10.7192 -10.7192 -10.6084 -10.6084 -10.4633 -10.4633 -10.0075 -10.0075 -9.8198 -9.8198 -9.7980 -9.7980 0.2594 0.2594 0.7804 0.7804 1.0647 1.0647 1.3474 1.3474 1.6438 1.6438 2.1959 2.1959 3.0624 3.0624 3.2167 3.2167 3.4212 3.4212 3.7883 3.7883 4.5708 4.5708 4.7157 4.7157 5.0567 5.0567 5.2072 5.2072 5.3403 5.3403 5.6079 5.6079 5.8389 5.8389 6.6613 6.6613 13.5706 13.5706 14.5866 14.5866 15.3643 15.3643 16.0044 16.0044 16.0948 16.0948 k = 0.4911-0.9346-0.0621 ( 3465 PWs) bands (ev): -10.6911 -10.6911 -10.6265 -10.6265 -10.4695 -10.4695 -10.0061 -10.0061 -9.8184 -9.8184 -9.7974 -9.7974 0.2552 0.2552 0.7785 0.7785 1.0777 1.0777 1.3301 1.3301 1.6415 1.6415 2.1912 2.1912 3.0741 3.0741 3.2010 3.2010 3.4244 3.4244 3.7869 3.7869 4.5710 4.5710 4.7187 4.7187 5.0551 5.0551 5.2077 5.2077 5.3351 5.3351 5.6079 5.6079 5.8411 5.8411 6.6613 6.6613 13.5669 13.5669 14.5921 14.5921 15.3599 15.3599 15.9997 15.9997 16.0899 16.0899 k = 0.5000-0.9516-0.0632 ( 3468 PWs) bands (ev): -10.6756 -10.6756 -10.6386 -10.6386 -10.4715 -10.4715 -10.0056 -10.0056 -9.8180 -9.8180 -9.7972 -9.7972 0.2537 0.2537 0.7779 0.7779 1.0825 1.0825 1.3237 1.3237 1.6408 1.6408 2.1896 2.1896 3.0788 3.0788 3.1949 3.1949 3.4255 3.4255 3.7864 3.7864 4.5710 4.5710 4.7198 4.7198 5.0546 5.0546 5.2079 5.2079 5.3333 5.3333 5.6079 5.6079 5.8419 5.8419 6.6613 6.6613 13.5656 13.5656 14.5939 14.5939 15.3584 15.3584 15.9982 15.9982 16.0882 16.0882 k = 0.5000-0.9516 0.4932 ( 3452 PWs) bands (ev): -10.5200 -10.5200 -10.5150 -10.5150 -10.3265 -10.3265 -10.1715 -10.1715 -9.9945 -9.9945 -9.9686 -9.9686 0.7570 0.7570 1.0044 1.0044 1.3367 1.3367 1.5165 1.5165 1.7297 1.7297 1.8701 1.8701 2.6189 2.6189 2.9287 2.9287 3.7677 3.7677 4.0820 4.0820 4.2048 4.2048 4.3559 4.3559 4.9541 4.9541 5.1283 5.1283 5.4571 5.4571 5.5379 5.5379 5.7898 5.7898 6.0515 6.0515 14.6585 14.6585 14.6712 14.6712 16.5306 16.5306 16.6369 16.6369 16.9097 16.9097 k = 0.4919-0.9363 0.4852 ( 3453 PWs) bands (ev): -10.5387 -10.5387 -10.4986 -10.4986 -10.3261 -10.3261 -10.1730 -10.1730 -9.9939 -9.9939 -9.9677 -9.9677 0.7567 0.7567 1.0051 1.0051 1.3367 1.3367 1.5178 1.5178 1.7318 1.7318 1.8713 1.8713 2.6192 2.6192 2.9283 2.9283 3.7664 3.7664 4.0800 4.0800 4.2080 4.2080 4.3566 4.3566 4.9534 4.9534 5.1284 5.1284 5.4575 5.4575 5.5379 5.5379 5.7872 5.7872 6.0547 6.0547 14.6574 14.6574 14.6707 14.6707 16.5281 16.5281 16.6414 16.6414 16.9061 16.9061 k = 0.4839-0.9209 0.4773 ( 3447 PWs) bands (ev): -10.5620 -10.5620 -10.4824 -10.4824 -10.3249 -10.3249 -10.1771 -10.1771 -9.9923 -9.9923 -9.9649 -9.9649 0.7559 0.7559 1.0072 1.0072 1.3368 1.3368 1.5215 1.5215 1.7380 1.7380 1.8751 1.8751 2.6202 2.6202 2.9270 2.9270 3.7626 3.7626 4.0747 4.0747 4.2171 4.2171 4.3586 4.3586 4.9512 4.9512 5.1288 5.1288 5.4586 5.4586 5.5376 5.5376 5.7800 5.7800 6.0636 6.0636 14.6541 14.6541 14.6695 14.6695 16.5216 16.5216 16.6536 16.6536 16.8992 16.8992 k = 0.4758-0.9056 0.4693 ( 3441 PWs) bands (ev): -10.5873 -10.5873 -10.4688 -10.4688 -10.3230 -10.3230 -10.1835 -10.1835 -9.9906 -9.9906 -9.9600 -9.9600 0.7548 0.7548 1.0103 1.0103 1.3373 1.3373 1.5276 1.5276 1.7479 1.7479 1.8817 1.8817 2.6218 2.6218 2.9249 2.9249 3.7566 3.7566 4.0671 4.0671 4.2307 4.2307 4.3617 4.3617 4.9477 4.9477 5.1294 5.1294 5.4606 5.4606 5.5367 5.5367 5.7697 5.7697 6.0771 6.0771 14.6484 14.6484 14.6674 14.6674 16.5133 16.5133 16.6715 16.6715 16.8927 16.8927 k = 0.4677-0.8902 0.4613 ( 3443 PWs) bands (ev): -10.6145 -10.6145 -10.4577 -10.4577 -10.3206 -10.3206 -10.1915 -10.1915 -9.9891 -9.9891 -9.9527 -9.9527 0.7537 0.7537 1.0143 1.0143 1.3385 1.3385 1.5358 1.5358 1.7610 1.7610 1.8914 1.8914 2.6240 2.6240 2.9221 2.9221 3.7489 3.7489 4.0582 4.0582 4.2476 4.2476 4.3660 4.3660 4.9429 4.9429 5.1301 5.1301 5.4636 5.4636 5.5344 5.5344 5.7583 5.7583 6.0939 6.0939 14.6405 14.6405 14.6646 14.6646 16.5046 16.5046 16.6930 16.6930 16.8874 16.8874 k = 0.4597-0.8749 0.4534 ( 3443 PWs) bands (ev): -10.6435 -10.6435 -10.4491 -10.4491 -10.3181 -10.3181 -10.2004 -10.2004 -9.9882 -9.9882 -9.9437 -9.9437 0.7526 0.7526 1.0188 1.0188 1.3406 1.3406 1.5458 1.5458 1.7766 1.7766 1.9048 1.9048 2.6266 2.6266 2.9188 2.9188 3.7400 3.7400 4.0487 4.0487 4.2666 4.2666 4.3711 4.3711 4.9371 4.9371 5.1308 5.1308 5.4675 5.4675 5.5301 5.5301 5.7475 5.7475 6.1129 6.1129 14.6303 14.6303 14.6612 14.6612 16.4964 16.4964 16.7172 16.7172 16.8837 16.8837 k = 0.4516-0.8595 0.4454 ( 3446 PWs) bands (ev): -10.6741 -10.6741 -10.4428 -10.4428 -10.3159 -10.3159 -10.2097 -10.2097 -9.9876 -9.9876 -9.9334 -9.9334 0.7520 0.7520 1.0235 1.0235 1.3439 1.3439 1.5574 1.5574 1.7939 1.7939 1.9225 1.9225 2.6296 2.6296 2.9154 2.9154 3.7305 3.7305 4.0390 4.0390 4.2870 4.2870 4.3770 4.3770 4.9305 4.9305 5.1314 5.1314 5.4723 5.4723 5.5234 5.5234 5.7390 5.7390 6.1330 6.1330 14.6177 14.6177 14.6573 14.6573 16.4892 16.4892 16.7430 16.7430 16.8816 16.8816 k = 0.4435-0.8442 0.4375 ( 3447 PWs) bands (ev): -10.7061 -10.7061 -10.4385 -10.4385 -10.3145 -10.3145 -10.2187 -10.2187 -9.9873 -9.9873 -9.9224 -9.9224 0.7521 0.7521 1.0282 1.0282 1.3485 1.3485 1.5703 1.5703 1.8120 1.8120 1.9451 1.9451 2.6329 2.6329 2.9120 2.9120 3.7208 3.7208 4.0293 4.0293 4.3080 4.3080 4.3834 4.3834 4.9231 4.9231 5.1320 5.1320 5.4768 5.4768 5.5147 5.5147 5.7340 5.7340 6.1537 6.1537 14.6026 14.6026 14.6531 14.6531 16.4829 16.4829 16.7698 16.7698 16.8811 16.8811 k = 0.4355-0.8288 0.4295 ( 3445 PWs) bands (ev): -10.7395 -10.7395 -10.4359 -10.4359 -10.3146 -10.3146 -10.2269 -10.2269 -9.9872 -9.9872 -9.9110 -9.9110 0.7530 0.7530 1.0327 1.0327 1.3543 1.3543 1.5841 1.5841 1.8306 1.8306 1.9729 1.9729 2.6362 2.6362 2.9092 2.9092 3.7114 3.7114 4.0198 4.0198 4.3293 4.3293 4.3902 4.3902 4.9151 4.9151 5.1326 5.1326 5.4774 5.4774 5.5079 5.5079 5.7328 5.7328 6.1745 6.1745 14.5850 14.5850 14.6486 14.6486 16.4778 16.4778 16.7970 16.7970 16.8819 16.8819 k = 0.4274-0.8135 0.4216 ( 3438 PWs) bands (ev): -10.7740 -10.7740 -10.4349 -10.4349 -10.3166 -10.3166 -10.2336 -10.2336 -9.9872 -9.9872 -9.8996 -9.8996 0.7551 0.7551 1.0369 1.0369 1.3612 1.3612 1.5984 1.5984 1.8497 1.8497 2.0058 2.0058 2.6394 2.6394 2.9074 2.9074 3.7027 3.7027 4.0107 4.0107 4.3502 4.3502 4.3973 4.3973 4.9068 4.9068 5.1330 5.1330 5.4681 5.4681 5.5094 5.5094 5.7353 5.7353 6.1950 6.1950 14.5649 14.5649 14.6440 14.6440 16.4736 16.4736 16.8238 16.8238 16.8839 16.8839 k = 0.4194-0.7981 0.4136 ( 3440 PWs) bands (ev): -10.8096 -10.8096 -10.4353 -10.4353 -10.3208 -10.3208 -10.2389 -10.2389 -9.9873 -9.9873 -9.8884 -9.8884 0.7584 0.7584 1.0408 1.0408 1.3691 1.3691 1.6127 1.6127 1.8696 1.8696 2.0436 2.0436 2.6424 2.6424 2.9071 2.9071 3.6949 3.6949 4.0021 4.0021 4.3702 4.3702 4.4048 4.4048 4.8983 4.8983 5.1335 5.1335 5.4514 5.4514 5.5173 5.5173 5.7411 5.7411 6.2151 6.2151 14.5422 14.5422 14.6394 14.6394 16.4704 16.4704 16.8497 16.8497 16.8868 16.8868 k = 0.4113-0.7828 0.4057 ( 3442 PWs) bands (ev): -10.8462 -10.8462 -10.4368 -10.4368 -10.3270 -10.3270 -10.2427 -10.2427 -9.9874 -9.9874 -9.8777 -9.8777 0.7630 0.7630 1.0445 1.0445 1.3775 1.3775 1.6264 1.6264 1.8909 1.8909 2.0857 2.0857 2.6451 2.6451 2.9088 2.9088 3.6884 3.6884 3.9941 3.9941 4.3881 4.3881 4.4131 4.4131 4.8898 4.8898 5.1339 5.1339 5.4320 5.4320 5.5277 5.5277 5.7499 5.7499 6.2346 6.2346 14.5168 14.5168 14.6349 14.6349 16.4679 16.4679 16.8734 16.8734 16.8908 16.8908 k = 0.4032-0.7674 0.3977 ( 3445 PWs) bands (ev): -10.8837 -10.8837 -10.4393 -10.4393 -10.3348 -10.3348 -10.2456 -10.2456 -9.9876 -9.9876 -9.8675 -9.8675 0.7692 0.7692 1.0481 1.0481 1.3862 1.3862 1.6389 1.6389 1.9144 1.9144 2.1317 2.1317 2.6474 2.6474 2.9129 2.9129 3.6832 3.6832 3.9868 3.9868 4.4026 4.4026 4.4236 4.4236 4.8815 4.8815 5.1342 5.1342 5.4118 5.4118 5.5393 5.5393 5.7610 5.7610 6.2533 6.2533 14.4888 14.4888 14.6305 14.6305 16.4661 16.4661 16.8888 16.8888 16.9012 16.9012 k = 0.3952-0.7521 0.3898 ( 3450 PWs) bands (ev): -10.9218 -10.9218 -10.4428 -10.4428 -10.3436 -10.3436 -10.2481 -10.2481 -9.9879 -9.9879 -9.8579 -9.8579 0.7768 0.7768 1.0515 1.0515 1.3949 1.3949 1.6496 1.6496 1.9404 1.9404 2.1810 2.1810 2.6496 2.6496 2.9197 2.9197 3.6794 3.6794 3.9804 3.9804 4.4126 4.4126 4.4365 4.4365 4.8737 4.8737 5.1341 5.1341 5.3917 5.3917 5.5516 5.5516 5.7743 5.7743 6.2713 6.2713 14.4581 14.4581 14.6264 14.6264 16.4648 16.4648 16.8929 16.8929 16.9202 16.9202 k = 0.3871-0.7368 0.3818 ( 3455 PWs) bands (ev): -10.9607 -10.9607 -10.4473 -10.4473 -10.3529 -10.3529 -10.2505 -10.2505 -9.9882 -9.9882 -9.8492 -9.8492 0.7860 0.7860 1.0547 1.0547 1.4033 1.4033 1.6580 1.6580 1.9694 1.9694 2.2335 2.2335 2.6520 2.6520 2.9294 2.9294 3.6770 3.6770 3.9751 3.9751 4.4197 4.4197 4.4502 4.4502 4.8664 4.8664 5.1337 5.1337 5.3727 5.3727 5.5644 5.5644 5.7893 5.7893 6.2884 6.2884 14.4248 14.4248 14.6224 14.6224 16.4638 16.4638 16.8944 16.8944 16.9385 16.9385 k = 0.3790-0.7214 0.3738 ( 3451 PWs) bands (ev): -11.0000 -11.0000 -10.4526 -10.4526 -10.3624 -10.3624 -10.2532 -10.2532 -9.9886 -9.9886 -9.8412 -9.8412 0.7967 0.7967 1.0579 1.0579 1.4111 1.4111 1.6641 1.6641 2.0012 2.0012 2.2885 2.2885 2.6550 2.6550 2.9422 2.9422 3.6762 3.6762 3.9709 3.9709 4.4252 4.4252 4.4631 4.4631 4.8600 4.8600 5.1326 5.1326 5.3553 5.3553 5.5774 5.5774 5.8061 5.8061 6.3047 6.3047 14.3887 14.3887 14.6186 14.6186 16.4630 16.4630 16.8940 16.8940 16.9549 16.9549 k = 0.3710-0.7061 0.3659 ( 3450 PWs) bands (ev): -11.0398 -11.0398 -10.4588 -10.4588 -10.3716 -10.3716 -10.2563 -10.2563 -9.9892 -9.9892 -9.8342 -9.8342 0.8090 0.8090 1.0608 1.0608 1.4180 1.4180 1.6676 1.6676 2.0360 2.0360 2.3460 2.3460 2.6591 2.6591 2.9580 2.9580 3.6768 3.6768 3.9680 3.9680 4.4296 4.4296 4.4743 4.4743 4.8547 4.8547 5.1308 5.1308 5.3400 5.3400 5.5907 5.5907 5.8242 5.8242 6.3201 6.3201 14.3500 14.3500 14.6151 14.6151 16.4620 16.4620 16.8916 16.8916 16.9695 16.9695 k = 0.3629-0.6907 0.3579 ( 3450 PWs) bands (ev): -11.0800 -11.0800 -10.4657 -10.4657 -10.3805 -10.3805 -10.2600 -10.2600 -9.9899 -9.9899 -9.8282 -9.8282 0.8227 0.8227 1.0634 1.0634 1.4239 1.4239 1.6689 1.6689 2.0733 2.0733 2.4054 2.4054 2.6648 2.6648 2.9767 2.9767 3.6788 3.6788 3.9667 3.9667 4.4331 4.4331 4.4836 4.4836 4.8505 4.8505 5.1280 5.1280 5.3268 5.3268 5.6042 5.6042 5.8436 5.8436 6.3348 6.3348 14.3085 14.3085 14.6116 14.6116 16.4607 16.4607 16.8869 16.8869 16.9823 16.9823 k = 0.3548-0.6754 0.3500 ( 3447 PWs) bands (ev): -11.1204 -11.1204 -10.4734 -10.4734 -10.3890 -10.3890 -10.2642 -10.2642 -9.9909 -9.9909 -9.8231 -9.8231 0.8380 0.8380 1.0654 1.0654 1.4284 1.4284 1.6683 1.6683 2.1128 2.1128 2.4665 2.4665 2.6729 2.6729 2.9983 2.9983 3.6821 3.6821 3.9669 3.9669 4.4358 4.4358 4.4909 4.4909 4.8476 4.8476 5.1245 5.1245 5.3160 5.3160 5.6179 5.6179 5.8642 5.8642 6.3487 6.3487 14.2644 14.2644 14.6082 14.6082 16.4586 16.4586 16.8801 16.8801 16.9935 16.9935 k = 0.3468-0.6600 0.3420 ( 3446 PWs) bands (ev): -11.1610 -11.1610 -10.4816 -10.4816 -10.3970 -10.3970 -10.2690 -10.2690 -9.9921 -9.9921 -9.8191 -9.8191 0.8546 0.8546 1.0666 1.0666 1.4315 1.4315 1.6662 1.6662 2.1541 2.1541 2.5288 2.5288 2.6837 2.6837 3.0227 3.0227 3.6868 3.6868 3.9689 3.9689 4.4377 4.4377 4.4964 4.4964 4.8459 4.8459 5.1202 5.1202 5.3072 5.3072 5.6320 5.6320 5.8856 5.8856 6.3619 6.3619 14.2175 14.2175 14.6048 14.6048 16.4553 16.4553 16.8714 16.8714 17.0032 17.0032 k = 0.3387-0.6447 0.3341 ( 3445 PWs) bands (ev): -11.2017 -11.2017 -10.4904 -10.4904 -10.4046 -10.4046 -10.2743 -10.2743 -9.9935 -9.9935 -9.8161 -9.8161 0.8726 0.8726 1.0668 1.0668 1.4330 1.4330 1.6631 1.6631 2.1969 2.1969 2.5912 2.5912 2.6983 2.6983 3.0500 3.0500 3.6926 3.6926 3.9728 3.9728 4.4388 4.4388 4.5004 4.5004 4.8453 4.8453 5.1156 5.1156 5.3001 5.3001 5.6465 5.6465 5.9079 5.9079 6.3745 6.3745 14.1680 14.1680 14.6013 14.6013 16.4503 16.4503 16.8611 16.8611 17.0117 17.0117 k = 0.3306-0.6293 0.3261 ( 3442 PWs) bands (ev): -11.2424 -11.2424 -10.4994 -10.4994 -10.4119 -10.4119 -10.2801 -10.2801 -9.9953 -9.9953 -9.8141 -9.8141 0.8916 0.8916 1.0655 1.0655 1.4329 1.4329 1.6598 1.6598 2.2408 2.2408 2.6512 2.6512 2.7190 2.7190 3.0802 3.0802 3.6996 3.6996 3.9787 3.9787 4.4390 4.4390 4.5033 4.5033 4.8456 4.8456 5.1110 5.1110 5.2943 5.2943 5.6615 5.6615 5.9307 5.9307 6.3864 6.3864 14.1158 14.1158 14.5976 14.5976 16.4431 16.4431 16.8499 16.8499 17.0190 17.0190 k = 0.3226-0.6140 0.3182 ( 3443 PWs) bands (ev): -11.2830 -11.2830 -10.5087 -10.5087 -10.4188 -10.4188 -10.2864 -10.2864 -9.9974 -9.9974 -9.8131 -9.8131 0.9115 0.9115 1.0625 1.0625 1.4311 1.4311 1.6567 1.6567 2.2855 2.2855 2.7003 2.7003 2.7538 2.7538 3.1136 3.1136 3.7076 3.7076 3.9866 3.9866 4.4386 4.4386 4.5053 4.5053 4.8467 4.8467 5.1066 5.1066 5.2894 5.2894 5.6771 5.6771 5.9539 5.9539 6.3978 6.3978 14.0609 14.0609 14.5934 14.5934 16.4328 16.4328 16.8384 16.8384 17.0253 17.0253 k = 0.3145-0.5986 0.3102 ( 3445 PWs) bands (ev): -11.3235 -11.3235 -10.5180 -10.5180 -10.4255 -10.4255 -10.2931 -10.2931 -9.9998 -9.9998 -9.8132 -9.8132 0.9318 0.9318 1.0578 1.0578 1.4277 1.4277 1.6545 1.6545 2.3306 2.3306 2.7326 2.7326 2.8080 2.8080 3.1503 3.1503 3.7168 3.7168 3.9968 3.9968 4.4376 4.4376 4.5069 4.5069 4.8484 4.8484 5.1028 5.1028 5.2848 5.2848 5.6934 5.6934 5.9774 5.9774 6.4088 6.4088 14.0033 14.0033 14.5888 14.5888 16.4190 16.4190 16.8274 16.8274 17.0309 17.0309 k = 0.3065-0.5833 0.3023 ( 3447 PWs) bands (ev): -11.3639 -11.3639 -10.5273 -10.5273 -10.4321 -10.4321 -10.3000 -10.3000 -10.0026 -10.0026 -9.8143 -9.8143 0.9514 0.9514 1.0519 1.0519 1.4229 1.4229 1.6538 1.6538 2.3760 2.3760 2.7586 2.7586 2.8702 2.8702 3.1907 3.1907 3.7269 3.7269 4.0091 4.0091 4.4363 4.4363 4.5084 4.5084 4.8504 4.8504 5.0996 5.0996 5.2803 5.2803 5.7106 5.7106 6.0010 6.0010 6.4193 6.4193 13.9432 13.9432 14.5834 14.5834 16.4011 16.4011 16.8175 16.8175 17.0358 17.0358 k = 0.2984-0.5679 0.2943 ( 3446 PWs) bands (ev): -11.4039 -11.4039 -10.5364 -10.5364 -10.4385 -10.4385 -10.3072 -10.3072 -10.0058 -10.0058 -9.8163 -9.8163 0.9677 0.9677 1.0471 1.0471 1.4166 1.4166 1.6550 1.6550 2.4213 2.4213 2.7839 2.7839 2.9341 2.9341 3.2351 3.2351 3.7380 3.7380 4.0237 4.0237 4.4350 4.4350 4.5099 4.5099 4.8528 4.8528 5.0972 5.0972 5.2756 5.2756 5.7285 5.7285 6.0246 6.0246 6.4295 6.4295 13.8806 13.8806 14.5773 14.5773 16.3785 16.3785 16.8091 16.8091 17.0403 17.0403 k = 0.2903-0.5526 0.2864 ( 3448 PWs) bands (ev): -11.4436 -11.4436 -10.5454 -10.5454 -10.4450 -10.4450 -10.3146 -10.3146 -10.0093 -10.0093 -9.8194 -9.8194 0.9749 0.9749 1.0488 1.0488 1.4091 1.4091 1.6587 1.6587 2.4664 2.4664 2.8095 2.8095 2.9979 2.9979 3.2836 3.2836 3.7502 3.7502 4.0405 4.0405 4.4342 4.4342 4.5117 4.5117 4.8555 4.8555 5.0955 5.0955 5.2706 5.2706 5.7473 5.7473 6.0480 6.0480 6.4393 6.4393 13.8155 13.8155 14.5702 14.5702 16.3512 16.3512 16.8024 16.8024 17.0446 17.0446 k = 0.2823-0.5372 0.2784 ( 3445 PWs) bands (ev): -11.4829 -11.4829 -10.5540 -10.5540 -10.4514 -10.4514 -10.3220 -10.3220 -10.0132 -10.0132 -9.8233 -9.8233 0.9684 0.9684 1.0618 1.0618 1.4003 1.4003 1.6649 1.6649 2.5108 2.5108 2.8353 2.8353 3.0609 3.0609 3.3363 3.3363 3.7636 3.7636 4.0596 4.0596 4.4342 4.4342 4.5137 4.5137 4.8584 4.8584 5.0944 5.0944 5.2651 5.2651 5.7668 5.7668 6.0712 6.0712 6.4488 6.4488 13.7479 13.7479 14.5620 14.5620 16.3193 16.3193 16.7972 16.7972 17.0488 17.0488 k = 0.2742-0.5219 0.2704 ( 3448 PWs) bands (ev): -11.5217 -11.5217 -10.5624 -10.5624 -10.4578 -10.4578 -10.3295 -10.3295 -10.0175 -10.0175 -9.8281 -9.8281 0.9513 0.9513 1.0827 1.0827 1.3903 1.3903 1.6739 1.6739 2.5544 2.5544 2.8614 2.8614 3.1229 3.1229 3.3929 3.3929 3.7782 3.7782 4.0808 4.0808 4.4353 4.4353 4.5159 4.5159 4.8616 4.8616 5.0938 5.0938 5.2593 5.2593 5.7871 5.7871 6.0939 6.0939 6.4581 6.4581 13.6780 13.6780 14.5526 14.5526 16.2828 16.2828 16.7934 16.7934 17.0530 17.0530 k = 0.2661-0.5065 0.2625 ( 3453 PWs) bands (ev): -11.5600 -11.5600 -10.5703 -10.5703 -10.4644 -10.4644 -10.3370 -10.3370 -10.0222 -10.0222 -9.8338 -9.8338 0.9279 0.9279 1.1075 1.1075 1.3791 1.3791 1.6857 1.6857 2.5965 2.5965 2.8877 2.8877 3.1838 3.1838 3.4528 3.4528 3.7944 3.7944 4.1040 4.1040 4.4379 4.4379 4.5186 4.5186 4.8651 4.8651 5.0935 5.0935 5.2531 5.2531 5.8080 5.8080 6.1162 6.1162 6.4672 6.4672 13.6058 13.6058 14.5419 14.5419 16.2424 16.2424 16.7904 16.7904 17.0567 17.0567 k = 0.2581-0.4912 0.2545 ( 3446 PWs) bands (ev): -11.5977 -11.5977 -10.5778 -10.5778 -10.4710 -10.4710 -10.3443 -10.3443 -10.0272 -10.0272 -9.8403 -9.8403 0.9003 0.9003 1.1342 1.1342 1.3668 1.3668 1.7002 1.7002 2.6366 2.6366 2.9144 2.9144 3.2438 3.2438 3.5150 3.5150 3.8124 3.8124 4.1292 4.1292 4.4422 4.4422 4.5215 4.5215 4.8691 4.8691 5.0935 5.0935 5.2468 5.2468 5.8295 5.8295 6.1379 6.1379 6.4761 6.4761 13.5315 13.5315 14.5298 14.5298 16.1983 16.1983 16.7876 16.7876 17.0591 17.0591 k = 0.2500-0.4758 0.2466 ( 3442 PWs) bands (ev): -11.6348 -11.6348 -10.5849 -10.5849 -10.4778 -10.4778 -10.3516 -10.3516 -10.0325 -10.0325 -9.8476 -9.8476 0.8697 0.8697 1.1622 1.1622 1.3535 1.3535 1.7171 1.7171 2.6739 2.6739 2.9421 2.9421 3.3032 3.3032 3.5783 3.5783 3.8330 3.8330 4.1562 4.1562 4.4484 4.4484 4.5249 4.5249 4.8736 4.8736 5.0934 5.0934 5.2405 5.2405 5.8515 5.8515 6.1589 6.1589 6.4847 6.4847 13.4552 13.4552 14.5161 14.5161 16.1510 16.1510 16.7846 16.7846 17.0580 17.0580 k = 0.2419-0.4605 0.2386 ( 3443 PWs) bands (ev): -11.6711 -11.6711 -10.5914 -10.5914 -10.4846 -10.4846 -10.3586 -10.3586 -10.0382 -10.0382 -9.8556 -9.8556 0.8368 0.8368 1.1908 1.1908 1.3392 1.3392 1.7363 1.7363 2.7076 2.7076 2.9713 2.9713 3.3622 3.3622 3.6408 3.6408 3.8570 3.8570 4.1847 4.1847 4.4564 4.4564 4.5287 4.5287 4.8788 4.8788 5.0931 5.0931 5.2346 5.2346 5.8739 5.8739 6.1792 6.1792 6.4933 6.4933 13.3770 13.3770 14.5010 14.5010 16.1010 16.1010 16.7808 16.7808 17.0486 17.0486 k = 0.2339-0.4451 0.2307 ( 3443 PWs) bands (ev): -11.7068 -11.7068 -10.5975 -10.5975 -10.4916 -10.4916 -10.3654 -10.3654 -10.0441 -10.0441 -9.8642 -9.8642 0.8021 0.8021 1.2196 1.2196 1.3244 1.3244 1.7574 1.7574 2.7368 2.7368 3.0027 3.0027 3.4207 3.4207 3.7006 3.7006 3.8858 3.8858 4.2146 4.2146 4.4665 4.4665 4.5329 4.5329 4.8849 4.8849 5.0926 5.0926 5.2292 5.2292 5.8965 5.8965 6.1986 6.1986 6.5016 6.5016 13.2970 13.2970 14.4843 14.4843 16.0486 16.0486 16.7759 16.7759 17.0224 17.0224 k = 0.2258-0.4298 0.2227 ( 3446 PWs) bands (ev): -11.7416 -11.7416 -10.6031 -10.6031 -10.4987 -10.4987 -10.3719 -10.3719 -10.0503 -10.0503 -9.8735 -9.8735 0.7661 0.7661 1.2479 1.2479 1.3098 1.3098 1.7801 1.7801 2.7610 2.7610 3.0369 3.0369 3.4789 3.4789 3.7551 3.7551 3.9210 3.9210 4.2457 4.2457 4.4785 4.4785 4.5378 4.5378 4.8920 4.8920 5.0918 5.0918 5.2247 5.2247 5.9193 5.9193 6.2172 6.2172 6.5098 6.5098 13.2154 13.2154 14.4661 14.4661 15.9942 15.9942 16.7694 16.7694 16.9732 16.9732 k = 0.2177-0.4144 0.2148 ( 3450 PWs) bands (ev): -11.7757 -11.7757 -10.6081 -10.6081 -10.5059 -10.5059 -10.3781 -10.3781 -10.0568 -10.0568 -9.8834 -9.8834 0.7292 0.7292 1.2701 1.2701 1.3009 1.3009 1.8040 1.8040 2.7801 2.7801 3.0740 3.0740 3.5365 3.5365 3.8026 3.8026 3.9635 3.9635 4.2775 4.2775 4.4925 4.4925 4.5434 4.5434 4.9002 4.9002 5.0906 5.0906 5.2216 5.2216 5.9422 5.9422 6.2349 6.2349 6.5179 6.5179 13.1323 13.1323 14.4465 14.4465 15.9381 15.9381 16.7610 16.7610 16.9058 16.9058 k = 0.2097-0.3991 0.2068 ( 3451 PWs) bands (ev): -11.8088 -11.8088 -10.6127 -10.6127 -10.5132 -10.5132 -10.3840 -10.3840 -10.0634 -10.0634 -9.8937 -9.8937 0.6917 0.6917 1.2666 1.2666 1.3172 1.3172 1.8289 1.8289 2.7943 2.7943 3.1138 3.1138 3.5934 3.5934 3.8435 3.8435 4.0119 4.0119 4.3099 4.3099 4.5085 4.5085 4.5499 4.5499 4.9097 4.9097 5.0891 5.0891 5.2201 5.2201 5.9650 5.9650 6.2515 6.2515 6.5259 6.5259 13.0480 13.0480 14.4254 14.4254 15.8806 15.8806 16.7492 16.7492 16.8298 16.8298 k = 0.2016-0.3837 0.1989 ( 3451 PWs) bands (ev): -11.8411 -11.8411 -10.6167 -10.6167 -10.5205 -10.5205 -10.3897 -10.3897 -10.0702 -10.0702 -9.9045 -9.9045 0.6539 0.6539 1.2513 1.2513 1.3451 1.3451 1.8545 1.8545 2.8042 2.8042 3.1560 3.1560 3.6493 3.6493 3.8797 3.8797 4.0631 4.0631 4.3426 4.3426 4.5262 4.5262 4.5576 4.5576 4.9207 4.9207 5.0873 5.0873 5.2208 5.2208 5.9877 5.9877 6.2671 6.2671 6.5337 6.5337 12.9627 12.9627 14.4031 14.4031 15.8221 15.8221 16.7213 16.7213 16.7634 16.7634 k = 0.1935-0.3684 0.1909 ( 3449 PWs) bands (ev): -11.8723 -11.8723 -10.6203 -10.6203 -10.5277 -10.5277 -10.3950 -10.3950 -10.0772 -10.0772 -9.9157 -9.9157 0.6162 0.6162 1.2340 1.2340 1.3745 1.3745 1.8804 1.8804 2.8105 2.8105 3.1999 3.1999 3.7039 3.7039 3.9138 3.9138 4.1135 4.1135 4.3755 4.3755 4.5448 4.5448 4.5676 4.5676 4.9331 4.9331 5.0855 5.0855 5.2240 5.2240 6.0101 6.0101 6.2816 6.2816 6.5415 6.5415 12.8766 12.8766 14.3795 14.3795 15.7627 15.7627 16.6493 16.6493 16.7375 16.7375 k = 0.1855-0.3530 0.1829 ( 3448 PWs) bands (ev): -11.9026 -11.9026 -10.6233 -10.6233 -10.5349 -10.5349 -10.4000 -10.4000 -10.0843 -10.0843 -9.9273 -9.9273 0.5787 0.5787 1.2162 1.2162 1.4042 1.4042 1.9063 1.9063 2.8138 2.8138 3.2450 3.2450 3.7567 3.7567 3.9474 3.9474 4.1599 4.1599 4.4086 4.4086 4.5615 4.5615 4.5831 4.5831 4.9469 4.9469 5.0838 5.0838 5.2304 5.2304 6.0322 6.0322 6.2950 6.2950 6.5492 6.5492 12.7899 12.7899 14.3550 14.3550 15.7027 15.7027 16.5656 16.5656 16.7214 16.7214 k = 0.1774-0.3377 0.1750 ( 3446 PWs) bands (ev): -11.9318 -11.9318 -10.6260 -10.6260 -10.5419 -10.5419 -10.4048 -10.4048 -10.0914 -10.0914 -9.9391 -9.9391 0.5416 0.5416 1.1982 1.1982 1.4339 1.4339 1.9319 1.9319 2.8150 2.8150 3.2909 3.2909 3.8072 3.8072 3.9817 3.9817 4.2000 4.2000 4.4415 4.4415 4.5746 4.5746 4.6058 4.6058 4.9617 4.9617 5.0825 5.0825 5.2406 5.2406 6.0539 6.0539 6.3072 6.3072 6.5569 6.5569 12.7028 12.7028 14.3296 14.3296 15.6424 15.6424 16.4809 16.4809 16.7055 16.7055 k = 0.1694-0.3223 0.1670 ( 3443 PWs) bands (ev): -11.9600 -11.9600 -10.6282 -10.6282 -10.5486 -10.5486 -10.4093 -10.4093 -10.0985 -10.0985 -9.9511 -9.9511 0.5051 0.5051 1.1803 1.1803 1.4633 1.4633 1.9570 1.9570 2.8145 2.8145 3.3371 3.3371 3.8548 3.8548 4.0176 4.0176 4.2326 4.2326 4.4735 4.4735 4.5872 4.5872 4.6331 4.6331 4.9773 4.9773 5.0818 5.0818 5.2554 5.2554 6.0751 6.0751 6.3183 6.3183 6.5646 6.5646 12.6156 12.6156 14.3035 14.3035 15.5821 15.5821 16.3969 16.3969 16.6890 16.6890 k = 0.1613-0.3070 0.1591 ( 3440 PWs) bands (ev): -11.9871 -11.9871 -10.6302 -10.6302 -10.5550 -10.5550 -10.4136 -10.4136 -10.1057 -10.1057 -9.9633 -9.9633 0.4695 0.4695 1.1625 1.1625 1.4923 1.4923 1.9814 1.9814 2.8129 2.8129 3.3834 3.3834 3.8992 3.8992 4.0554 4.0554 4.2576 4.2576 4.5025 4.5025 4.6022 4.6022 4.6630 4.6630 4.9930 4.9930 5.0820 5.0820 5.2754 5.2754 6.0958 6.0958 6.3280 6.3280 6.5723 6.5723 12.5287 12.5287 14.2769 14.2769 15.5220 15.5220 16.3142 16.3142 16.6716 16.6716 k = 0.1532-0.2916 0.1511 ( 3436 PWs) bands (ev): -12.0130 -12.0130 -10.6319 -10.6319 -10.5610 -10.5610 -10.4178 -10.4178 -10.1128 -10.1128 -9.9755 -9.9755 0.4348 0.4348 1.1450 1.1450 1.5208 1.5208 2.0046 2.0046 2.8107 2.8107 3.4295 3.4295 3.9403 3.9403 4.0949 4.0949 4.2757 4.2757 4.5259 4.5259 4.6215 4.6215 4.6943 4.6943 5.0084 5.0084 5.0831 5.0831 5.3011 5.3011 6.1158 6.1158 6.3366 6.3366 6.5801 6.5801 12.4422 12.4422 14.2500 14.2500 15.4623 15.4623 16.2334 16.2334 16.6537 16.6537 k = 0.1452-0.2763 0.1432 ( 3436 PWs) bands (ev): -12.0378 -12.0378 -10.6334 -10.6334 -10.5663 -10.5663 -10.4218 -10.4218 -10.1197 -10.1197 -9.9878 -9.9878 0.4012 0.4012 1.1279 1.1279 1.5488 1.5488 2.0265 2.0265 2.8082 2.8082 3.4750 3.4750 3.9780 3.9780 4.1357 4.1357 4.2884 4.2884 4.5422 4.5422 4.6455 4.6455 4.7261 4.7261 5.0233 5.0233 5.0853 5.0853 5.3328 5.3328 6.1351 6.1351 6.3440 6.3440 6.5879 6.5879 12.3566 12.3566 14.2229 14.2229 15.4035 15.4035 16.1549 16.1549 16.6354 16.6354 k = 0.1371-0.2609 0.1352 ( 3436 PWs) bands (ev): -12.0614 -12.0614 -10.6350 -10.6350 -10.5709 -10.5709 -10.4256 -10.4256 -10.1266 -10.1266 -10.0000 -10.0000 0.3688 0.3688 1.1113 1.1113 1.5761 1.5761 2.0470 2.0470 2.8058 2.8058 3.5199 3.5199 4.0127 4.0127 4.1763 4.1763 4.2977 4.2977 4.5526 4.5526 4.6717 4.6717 4.7579 4.7579 5.0374 5.0374 5.0889 5.0889 5.3700 5.3700 6.1537 6.1537 6.3501 6.3501 6.5958 6.5958 12.2722 12.2722 14.1959 14.1959 15.3456 15.3456 16.0790 16.0790 16.6170 16.6170 k = 0.1290-0.2456 0.1273 ( 3432 PWs) bands (ev): -12.0838 -12.0838 -10.6366 -10.6366 -10.5747 -10.5747 -10.4295 -10.4295 -10.1332 -10.1332 -10.0122 -10.0122 0.3377 0.3377 1.0953 1.0953 1.6026 1.6026 2.0657 2.0657 2.8037 2.8037 3.5639 3.5639 4.0447 4.0447 4.2144 4.2144 4.3063 4.3063 4.5593 4.5593 4.6974 4.6974 4.7893 4.7893 5.0501 5.0501 5.0947 5.0947 5.4120 5.4120 6.1715 6.1715 6.3551 6.3551 6.6038 6.6038 12.1892 12.1892 14.1692 14.1692 15.2891 15.2891 16.0059 16.0059 16.5989 16.5989 k = 0.1210-0.2302 0.1193 ( 3430 PWs) bands (ev): -12.1050 -12.1050 -10.6385 -10.6385 -10.5774 -10.5774 -10.4332 -10.4332 -10.1396 -10.1396 -10.0241 -10.0241 0.3081 0.3081 1.0799 1.0799 1.6284 1.6284 2.0826 2.0826 2.8022 2.8022 3.6069 3.6069 4.0743 4.0743 4.2446 4.2446 4.3199 4.3199 4.5636 4.5636 4.7204 4.7204 4.8200 4.8200 5.0605 5.0605 5.1040 5.1040 5.4578 5.4578 6.1884 6.1884 6.3590 6.3590 6.6120 6.6120 12.1082 12.1082 14.1429 14.1429 15.2342 15.2342 15.9358 15.9358 16.5812 16.5812 k = 0.1129-0.2149 0.1114 ( 3429 PWs) bands (ev): -12.1248 -12.1248 -10.6407 -10.6407 -10.5790 -10.5790 -10.4370 -10.4370 -10.1457 -10.1457 -10.0358 -10.0358 0.2800 0.2800 1.0652 1.0652 1.6532 1.6532 2.0976 2.0976 2.8015 2.8015 3.6487 3.6487 4.1016 4.1016 4.2607 4.2607 4.3448 4.3448 4.5665 4.5665 4.7399 4.7399 4.8499 4.8499 5.0676 5.0676 5.1176 5.1176 5.5061 5.5061 6.2044 6.2044 6.3619 6.3619 6.6202 6.6202 12.0295 12.0295 14.1173 14.1173 15.1811 15.1811 15.8691 15.8691 16.5644 16.5644 k = 0.1048-0.1995 0.1034 ( 3425 PWs) bands (ev): -12.1434 -12.1434 -10.6432 -10.6432 -10.5795 -10.5795 -10.4408 -10.4408 -10.1514 -10.1514 -10.0472 -10.0472 0.2535 0.2535 1.0513 1.0513 1.6769 1.6769 2.1106 2.1106 2.8015 2.8015 3.6893 3.6893 4.1263 4.1263 4.2653 4.2653 4.3788 4.3788 4.5686 4.5686 4.7553 4.7553 4.8786 4.8786 5.0719 5.0719 5.1350 5.1350 5.5559 5.5559 6.2195 6.2195 6.3638 6.3638 6.6284 6.6284 11.9534 11.9534 14.0925 14.0925 15.1303 15.1303 15.8059 15.8059 16.5487 16.5487 k = 0.0968-0.1842 0.0955 ( 3421 PWs) bands (ev): -12.1607 -12.1607 -10.6460 -10.6460 -10.5789 -10.5789 -10.4447 -10.4447 -10.1568 -10.1568 -10.0583 -10.0583 0.2286 0.2286 1.0382 1.0382 1.6996 1.6996 2.1216 2.1216 2.8024 2.8024 3.7284 3.7284 4.1482 4.1482 4.2645 4.2645 4.4159 4.4159 4.5705 4.5705 4.7670 4.7670 4.9061 4.9061 5.0744 5.0744 5.1550 5.1550 5.6061 5.6061 6.2336 6.2336 6.3649 6.3649 6.6367 6.6367 11.8805 11.8805 14.0688 14.0688 15.0818 15.0818 15.7465 15.7465 16.5344 16.5344 k = 0.0887-0.1688 0.0875 ( 3419 PWs) bands (ev): -12.1767 -12.1767 -10.6490 -10.6490 -10.5773 -10.5773 -10.4487 -10.4487 -10.1617 -10.1617 -10.0689 -10.0689 0.2056 0.2056 1.0260 1.0260 1.7211 1.7211 2.1307 2.1307 2.8040 2.8040 3.7661 3.7661 4.1665 4.1665 4.2623 4.2623 4.4530 4.4530 4.5724 4.5724 4.7753 4.7753 4.9320 4.9320 5.0758 5.0758 5.1764 5.1764 5.6555 5.6555 6.2468 6.2468 6.3652 6.3652 6.6450 6.6450 11.8111 11.8111 14.0462 14.0462 15.0361 15.0361 15.6911 15.6911 16.5216 16.5216 k = 0.0806-0.1535 0.0795 ( 3414 PWs) bands (ev): -12.1914 -12.1914 -10.6521 -10.6521 -10.5749 -10.5749 -10.4528 -10.4528 -10.1661 -10.1661 -10.0790 -10.0790 0.1843 0.1843 1.0147 1.0147 1.7413 1.7413 2.1381 2.1381 2.8064 2.8064 3.8022 3.8022 4.1798 4.1798 4.2611 4.2611 4.4885 4.4885 4.5748 4.5748 4.7807 4.7807 4.9561 4.9561 5.0763 5.0763 5.1982 5.1982 5.7035 5.7035 6.2589 6.2589 6.3649 6.3649 6.6531 6.6531 11.7457 11.7457 14.0250 14.0250 14.9934 14.9934 15.6397 15.6397 16.5106 16.5106 k = 0.0726-0.1381 0.0716 ( 3414 PWs) bands (ev): -12.2047 -12.2047 -10.6551 -10.6551 -10.5718 -10.5718 -10.4570 -10.4570 -10.1701 -10.1701 -10.0886 -10.0886 0.1649 0.1649 1.0044 1.0044 1.7601 1.7601 2.1438 2.1438 2.8093 2.8093 3.8366 3.8366 4.1866 4.1866 4.2630 4.2630 4.5210 4.5210 4.5788 4.5788 4.7837 4.7837 4.9783 4.9783 5.0763 5.0763 5.2197 5.2197 5.7491 5.7491 6.2700 6.2700 6.3640 6.3640 6.6611 6.6611 11.6848 11.6848 14.0053 14.0053 14.9538 14.9538 15.5927 15.5927 16.5016 16.5016 k = 0.0645-0.1228 0.0636 ( 3411 PWs) bands (ev): -12.2166 -12.2166 -10.6581 -10.6581 -10.5681 -10.5681 -10.4613 -10.4613 -10.1735 -10.1735 -10.0975 -10.0975 0.1474 0.1474 0.9951 0.9951 1.7774 1.7774 2.1480 2.1480 2.8126 2.8126 3.8693 3.8693 4.1865 4.1865 4.2687 4.2687 4.5474 4.5474 4.5869 4.5869 4.7846 4.7846 4.9984 4.9984 5.0760 5.0760 5.2403 5.2403 5.7916 5.7916 6.2800 6.2800 6.3628 6.3628 6.6688 6.6688 11.6287 11.6287 13.9873 13.9873 14.9178 14.9178 15.5501 15.5501 16.4945 16.4945 k = 0.0565-0.1074 0.0557 ( 3409 PWs) bands (ev): -12.2272 -12.2272 -10.6608 -10.6608 -10.5641 -10.5641 -10.4658 -10.4658 -10.1764 -10.1764 -10.1057 -10.1057 0.1318 0.1318 0.9868 0.9868 1.7930 1.7930 2.1510 2.1510 2.8160 2.8160 3.9001 3.9001 4.1811 4.1811 4.2767 4.2767 4.5629 4.5629 4.6039 4.6039 4.7839 4.7839 5.0164 5.0164 5.0754 5.0754 5.2596 5.2596 5.8305 5.8305 6.2889 6.2889 6.3613 6.3613 6.6761 6.6761 11.5780 11.5780 13.9711 13.9711 14.8854 14.8854 15.5122 15.5122 16.4894 16.4894 k = 0.0484-0.0921 0.0477 ( 3407 PWs) bands (ev): -12.2363 -12.2363 -10.6633 -10.6633 -10.5597 -10.5597 -10.4703 -10.4703 -10.1787 -10.1787 -10.1132 -10.1132 0.1183 0.1183 0.9795 0.9795 1.8069 1.8069 2.1530 2.1530 2.8195 2.8195 3.9290 3.9290 4.1724 4.1724 4.2853 4.2853 4.5700 4.5700 4.6269 4.6269 4.7817 4.7817 5.0319 5.0319 5.0746 5.0746 5.2770 5.2770 5.8653 5.8653 6.2967 6.2967 6.3596 6.3596 6.6829 6.6829 11.5331 11.5331 13.9568 13.9568 14.8569 14.8569 15.4791 15.4791 16.4863 16.4863 k = 0.0403-0.0767 0.0398 ( 3407 PWs) bands (ev): -12.2441 -12.2441 -10.6655 -10.6655 -10.5552 -10.5552 -10.4748 -10.4748 -10.1805 -10.1805 -10.1197 -10.1197 0.1068 0.1068 0.9734 0.9734 1.8190 1.8190 2.1542 2.1542 2.8228 2.8228 3.9560 3.9560 4.1616 4.1616 4.2934 4.2934 4.5741 4.5741 4.6503 4.6503 4.7782 4.7782 5.0449 5.0449 5.0740 5.0740 5.2922 5.2922 5.8954 5.8954 6.3033 6.3033 6.3578 6.3578 6.6890 6.6890 11.4943 11.4943 13.9445 13.9445 14.8324 14.8324 15.4508 15.4508 16.4848 16.4848 k = 0.0323-0.0614 0.0318 ( 3405 PWs) bands (ev): -12.2505 -12.2505 -10.6673 -10.6673 -10.5508 -10.5508 -10.4791 -10.4791 -10.1818 -10.1818 -10.1253 -10.1253 0.0973 0.0973 0.9683 0.9683 1.8291 1.8291 2.1549 2.1549 2.8258 2.8258 3.9809 3.9809 4.1495 4.1495 4.3002 4.3002 4.5770 4.5770 4.6719 4.6719 4.7737 4.7737 5.0550 5.0550 5.0740 5.0740 5.3050 5.3050 5.9205 5.9205 6.3089 6.3089 6.3561 6.3561 6.6943 6.6943 11.4620 11.4620 13.9343 13.9343 14.8122 14.8122 15.4275 15.4275 16.4847 16.4847 k = 0.0242-0.0460 0.0239 ( 3406 PWs) bands (ev): -12.2555 -12.2555 -10.6688 -10.6688 -10.5468 -10.5468 -10.4830 -10.4830 -10.1828 -10.1828 -10.1298 -10.1298 0.0899 0.0899 0.9643 0.9643 1.8370 1.8370 2.1551 2.1551 2.8283 2.8283 4.0033 4.0033 4.1368 4.1368 4.3057 4.3057 4.5793 4.5793 4.6911 4.6911 4.7680 4.7680 5.0613 5.0613 5.0754 5.0754 5.3152 5.3152 5.9404 5.9404 6.3132 6.3132 6.3547 6.3547 6.6986 6.6986 11.4365 11.4365 13.9263 13.9263 14.7964 14.7964 15.4093 15.4093 16.4855 16.4855 k = 0.0161-0.0307 0.0159 ( 3406 PWs) bands (ev): -12.2590 -12.2590 -10.6699 -10.6699 -10.5435 -10.5435 -10.4862 -10.4862 -10.1833 -10.1833 -10.1331 -10.1331 0.0847 0.0847 0.9615 0.9615 1.8428 1.8428 2.1552 2.1552 2.8301 2.8301 4.0227 4.0227 4.1243 4.1243 4.3096 4.3096 4.5810 4.5810 4.7074 4.7074 4.7615 4.7615 5.0641 5.0641 5.0781 5.0781 5.3225 5.3225 5.9548 5.9548 6.3163 6.3163 6.3535 6.3535 6.7018 6.7018 11.4181 11.4181 13.9205 13.9205 14.7850 14.7850 15.3962 15.3962 16.4867 16.4867 k = 0.0081-0.0153 0.0080 ( 3407 PWs) bands (ev): -12.2611 -12.2611 -10.6705 -10.6705 -10.5412 -10.5412 -10.4884 -10.4884 -10.1836 -10.1836 -10.1352 -10.1352 0.0815 0.0815 0.9598 0.9598 1.8463 1.8463 2.1551 2.1551 2.8313 2.8313 4.0372 4.0372 4.1138 4.1138 4.3120 4.3120 4.5821 4.5821 4.7200 4.7200 4.7547 4.7547 5.0649 5.0649 5.0805 5.0805 5.3270 5.3270 5.9634 5.9634 6.3182 6.3182 6.3528 6.3528 6.7038 6.7038 11.4070 11.4070 13.9170 13.9170 14.7781 14.7781 15.3884 15.3884 16.4877 16.4877 k = 0.0000 0.0000 0.0000 ( 3407 PWs) bands (ev): -12.2618 -12.2618 -10.6707 -10.6707 -10.5404 -10.5404 -10.4892 -10.4892 -10.1837 -10.1837 -10.1359 -10.1359 0.0804 0.0804 0.9592 0.9592 1.8475 1.8475 2.1551 2.1551 2.8316 2.8316 4.0431 4.0431 4.1094 4.1094 4.3128 4.3128 4.5825 4.5825 4.7257 4.7257 4.7510 4.7510 5.0650 5.0650 5.0814 5.0814 5.3285 5.3285 5.9663 5.9663 6.3188 6.3188 6.3525 6.3525 6.7044 6.7044 11.4033 11.4033 13.9159 13.9159 14.7758 14.7758 15.3858 15.3858 16.4881 16.4881 Writing output data file Al2O3.save init_run : 0.23s CPU 0.47s WALL ( 1 calls) electrons : 315.80s CPU 320.41s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 315.79s CPU 320.39s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.09s WALL ( 428 calls) cegterg : 285.13s CPU 288.27s WALL ( 619 calls) Called by sum_band: Called by *egterg: h_psi : 181.65s CPU 183.73s WALL ( 9931 calls) s_psi : 9.96s CPU 10.00s WALL ( 9931 calls) g_psi : 0.26s CPU 0.27s WALL ( 8884 calls) cdiaghg : 94.20s CPU 95.35s WALL ( 9312 calls) cegterg:over : 8.51s CPU 8.65s WALL ( 8884 calls) cegterg:upda : 7.24s CPU 7.43s WALL ( 8884 calls) cegterg:last : 3.50s CPU 3.64s WALL ( 1534 calls) cdiaghg:chol : 5.36s CPU 5.42s WALL ( 9312 calls) cdiaghg:inve : 3.94s CPU 3.92s WALL ( 9312 calls) cdiaghg:para : 6.27s CPU 6.44s WALL ( 18624 calls) Called by h_psi: h_psi:vloc : 158.04s CPU 159.70s WALL ( 9931 calls) h_psi:vnl : 23.34s CPU 23.75s WALL ( 9931 calls) add_vuspsi : 12.43s CPU 12.66s WALL ( 9931 calls) General routines calbec : 10.85s CPU 11.06s WALL ( 9931 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 146.87s CPU 148.39s WALL ( 1185760 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 1.03s WALL ( 856 calls) Parallel routines fft_scatter : 34.55s CPU 35.29s WALL ( 1185783 calls) PWSCF : 5m36.76s CPU 6m16.13s WALL This run was terminated on: 18:50:10 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=