Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:50:31 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: ./CaSi2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 86 57 17 1911 1038 168 Max 87 58 18 1914 1061 170 Sum 3099 2077 613 68873 37823 6093 bravais-lattice index = 14 lattice parameter (alat) = 19.6932 a.u. unit-cell volume = 898.5904 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 19.693157 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.930439 celldm(5)= 0.930439 celldm(6)= 0.930439 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.930439 0.366447 0.000000 ) a(3) = ( 0.930439 0.176621 0.321074 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.539083 -1.501161 ) b(2) = ( 0.000000 2.728908 -1.501161 ) b(3) = ( 0.000000 0.000000 3.114550 ) PseudoPot. # 1 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Ca 10.00 40.07800 Ca( 1.00) Si 4.00 28.08550 Si( 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= 299 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 2) = ( 0.0106383 -0.0270115 -0.0159698), wk = 0.0033445 k( 3) = ( 0.0212766 -0.0540230 -0.0319396), wk = 0.0033445 k( 4) = ( 0.0319149 -0.0810345 -0.0479094), wk = 0.0033445 k( 5) = ( 0.0425532 -0.1080461 -0.0638792), wk = 0.0033445 k( 6) = ( 0.0531915 -0.1350576 -0.0798490), wk = 0.0033445 k( 7) = ( 0.0638298 -0.1620691 -0.0958188), wk = 0.0033445 k( 8) = ( 0.0744681 -0.1890806 -0.1117886), wk = 0.0033445 k( 9) = ( 0.0851064 -0.2160921 -0.1277583), wk = 0.0033445 k( 10) = ( 0.0957447 -0.2431036 -0.1437281), wk = 0.0033445 k( 11) = ( 0.1063830 -0.2701152 -0.1596979), wk = 0.0033445 k( 12) = ( 0.1170213 -0.2971267 -0.1756677), wk = 0.0033445 k( 13) = ( 0.1276596 -0.3241382 -0.1916375), wk = 0.0033445 k( 14) = ( 0.1382979 -0.3511497 -0.2076073), wk = 0.0033445 k( 15) = ( 0.1489362 -0.3781612 -0.2235771), wk = 0.0033445 k( 16) = ( 0.1595745 -0.4051728 -0.2395469), wk = 0.0033445 k( 17) = ( 0.1702128 -0.4321843 -0.2555167), wk = 0.0033445 k( 18) = ( 0.1808511 -0.4591958 -0.2714865), wk = 0.0033445 k( 19) = ( 0.1914894 -0.4862073 -0.2874563), wk = 0.0033445 k( 20) = ( 0.2021277 -0.5132188 -0.3034261), wk = 0.0033445 k( 21) = ( 0.2127660 -0.5402303 -0.3193959), wk = 0.0033445 k( 22) = ( 0.2234043 -0.5672419 -0.3353657), wk = 0.0033445 k( 23) = ( 0.2340425 -0.5942534 -0.3513355), wk = 0.0033445 k( 24) = ( 0.2446809 -0.6212649 -0.3673053), wk = 0.0033445 k( 25) = ( 0.2553191 -0.6482764 -0.3832750), wk = 0.0033445 k( 26) = ( 0.2659574 -0.6752879 -0.3992448), wk = 0.0033445 k( 27) = ( 0.2765957 -0.7022994 -0.4152146), wk = 0.0033445 k( 28) = ( 0.2872340 -0.7293109 -0.4311844), wk = 0.0033445 k( 29) = ( 0.2978723 -0.7563225 -0.4471542), wk = 0.0033445 k( 30) = ( 0.3085106 -0.7833340 -0.4631240), wk = 0.0033445 k( 31) = ( 0.3191489 -0.8103455 -0.4790938), wk = 0.0033445 k( 32) = ( 0.3297872 -0.8373570 -0.4950636), wk = 0.0033445 k( 33) = ( 0.3404255 -0.8643685 -0.5110334), wk = 0.0033445 k( 34) = ( 0.3510638 -0.8913800 -0.5270032), wk = 0.0033445 k( 35) = ( 0.3617021 -0.9183916 -0.5429730), wk = 0.0033445 k( 36) = ( 0.3723404 -0.9454031 -0.5589428), wk = 0.0033445 k( 37) = ( 0.3829787 -0.9724146 -0.5749126), wk = 0.0033445 k( 38) = ( 0.3936170 -0.9994261 -0.5908824), wk = 0.0033445 k( 39) = ( 0.4042553 -1.0264376 -0.6068522), wk = 0.0033445 k( 40) = ( 0.4148936 -1.0534492 -0.6228220), wk = 0.0033445 k( 41) = ( 0.4255319 -1.0804606 -0.6387917), wk = 0.0033445 k( 42) = ( 0.4361702 -1.1074722 -0.6547615), wk = 0.0033445 k( 43) = ( 0.4468085 -1.1344837 -0.6707313), wk = 0.0033445 k( 44) = ( 0.4574468 -1.1614952 -0.6867011), wk = 0.0033445 k( 45) = ( 0.4680851 -1.1885067 -0.7026709), wk = 0.0033445 k( 46) = ( 0.4787234 -1.2155182 -0.7186407), wk = 0.0033445 k( 47) = ( 0.4893617 -1.2425298 -0.7346105), wk = 0.0033445 k( 48) = ( 0.5000000 -1.2695413 -0.7505803), wk = 0.0033445 k( 49) = ( 0.5000000 -1.2695413 -0.7505803), wk = 0.0033445 k( 50) = ( 0.5000000 -1.2530952 -0.7783973), wk = 0.0033445 k( 51) = ( 0.5000000 -1.2366492 -0.8062144), wk = 0.0033445 k( 52) = ( 0.5000000 -1.2202031 -0.8340315), wk = 0.0033445 k( 53) = ( 0.5000000 -1.2037571 -0.8618486), wk = 0.0033445 k( 54) = ( 0.5000000 -1.1873110 -0.8896656), wk = 0.0033445 k( 55) = ( 0.5000000 -1.1708650 -0.9174827), wk = 0.0033445 k( 56) = ( 0.5000000 -1.1544189 -0.9452997), wk = 0.0033445 k( 57) = ( 0.5000000 -1.1379729 -0.9731168), wk = 0.0033445 k( 58) = ( 0.5000000 -1.1215268 -1.0009339), wk = 0.0033445 k( 59) = ( 0.5000000 -1.1050808 -1.0287509), wk = 0.0033445 k( 60) = ( 0.5000000 -1.0886347 -1.0565680), wk = 0.0033445 k( 61) = ( 0.5000000 -1.0721887 -1.0843851), wk = 0.0033445 k( 62) = ( 0.5000000 -1.0557426 -1.1122021), wk = 0.0033445 k( 63) = ( 0.5000000 -1.0392966 -1.1400192), wk = 0.0033445 k( 64) = ( 0.5000000 -1.0228505 -1.1678363), wk = 0.0033445 k( 65) = ( 0.5000000 -1.0064045 -1.1956533), wk = 0.0033445 k( 66) = ( 0.5000000 -0.9899584 -1.2234704), wk = 0.0033445 k( 67) = ( 0.5000000 -0.9735124 -1.2512874), wk = 0.0033445 k( 68) = ( 0.5000000 -0.9570663 -1.2791045), wk = 0.0033445 k( 69) = ( 0.5000000 -0.9406203 -1.3069216), wk = 0.0033445 k( 70) = ( 0.5000000 -0.9241742 -1.3347386), wk = 0.0033445 k( 71) = ( 0.5000000 -0.9077282 -1.3625557), wk = 0.0033445 k( 72) = ( 0.5000000 -0.8912821 -1.3903728), wk = 0.0033445 k( 73) = ( 0.5000000 -0.8748361 -1.4181898), wk = 0.0033445 k( 74) = ( 0.5000000 -0.8583900 -1.4460069), wk = 0.0033445 k( 75) = ( 0.5000000 -0.8419440 -1.4738239), wk = 0.0033445 k( 76) = ( 0.5000000 -0.8254979 -1.5016410), wk = 0.0033445 k( 77) = ( 0.5000000 -0.8090519 -1.5294581), wk = 0.0033445 k( 78) = ( 0.5000000 -0.7926058 -1.5572752), wk = 0.0033445 k( 79) = ( 0.8252285 -0.7308691 -1.4450461), wk = 0.0033445 k( 80) = ( 0.8190921 -0.7152883 -1.4167223), wk = 0.0033445 k( 81) = ( 0.8129557 -0.6997075 -1.3883985), wk = 0.0033445 k( 82) = ( 0.8068193 -0.6841267 -1.3600747), wk = 0.0033445 k( 83) = ( 0.8006829 -0.6685459 -1.3317509), wk = 0.0033445 k( 84) = ( 0.7945465 -0.6529651 -1.3034271), wk = 0.0033445 k( 85) = ( 0.7884102 -0.6373844 -1.2751034), wk = 0.0033445 k( 86) = ( 0.7822738 -0.6218036 -1.2467796), wk = 0.0033445 k( 87) = ( 0.7761374 -0.6062228 -1.2184558), wk = 0.0033445 k( 88) = ( 0.7700010 -0.5906420 -1.1901320), wk = 0.0033445 k( 89) = ( 0.7638646 -0.5750612 -1.1618082), wk = 0.0033445 k( 90) = ( 0.7577282 -0.5594804 -1.1334844), wk = 0.0033445 k( 91) = ( 0.7515918 -0.5438996 -1.1051607), wk = 0.0033445 k( 92) = ( 0.7454555 -0.5283188 -1.0768369), wk = 0.0033445 k( 93) = ( 0.7393191 -0.5127380 -1.0485131), wk = 0.0033445 k( 94) = ( 0.7331827 -0.4971572 -1.0201893), wk = 0.0033445 k( 95) = ( 0.7270463 -0.4815764 -0.9918655), wk = 0.0033445 k( 96) = ( 0.7209099 -0.4659957 -0.9635417), wk = 0.0033445 k( 97) = ( 0.7147735 -0.4504149 -0.9352179), wk = 0.0033445 k( 98) = ( 0.7086371 -0.4348341 -0.9068941), wk = 0.0033445 k( 99) = ( 0.7025008 -0.4192533 -0.8785704), wk = 0.0033445 k( 100) = ( 0.6963644 -0.4036725 -0.8502466), wk = 0.0033445 k( 101) = ( 0.6902280 -0.3880917 -0.8219228), wk = 0.0033445 k( 102) = ( 0.6840916 -0.3725109 -0.7935990), wk = 0.0033445 k( 103) = ( 0.6779552 -0.3569301 -0.7652752), wk = 0.0033445 k( 104) = ( 0.6718188 -0.3413493 -0.7369515), wk = 0.0033445 k( 105) = ( 0.6656824 -0.3257685 -0.7086277), wk = 0.0033445 k( 106) = ( 0.6595460 -0.3101877 -0.6803039), wk = 0.0033445 k( 107) = ( 0.6534097 -0.2946069 -0.6519801), wk = 0.0033445 k( 108) = ( 0.6472733 -0.2790261 -0.6236563), wk = 0.0033445 k( 109) = ( 0.6411369 -0.2634453 -0.5953325), wk = 0.0033445 k( 110) = ( 0.6350005 -0.2478646 -0.5670087), wk = 0.0033445 k( 111) = ( 0.6288641 -0.2322838 -0.5386849), wk = 0.0033445 k( 112) = ( 0.6227277 -0.2167030 -0.5103612), wk = 0.0033445 k( 113) = ( 0.6165913 -0.2011222 -0.4820374), wk = 0.0033445 k( 114) = ( 0.6104550 -0.1855414 -0.4537136), wk = 0.0033445 k( 115) = ( 0.6043186 -0.1699606 -0.4253898), wk = 0.0033445 k( 116) = ( 0.5981822 -0.1543798 -0.3970660), wk = 0.0033445 k( 117) = ( 0.5920458 -0.1387990 -0.3687422), wk = 0.0033445 k( 118) = ( 0.5859094 -0.1232182 -0.3404185), wk = 0.0033445 k( 119) = ( 0.5797730 -0.1076374 -0.3120947), wk = 0.0033445 k( 120) = ( 0.5736366 -0.0920567 -0.2837709), wk = 0.0033445 k( 121) = ( 0.5675003 -0.0764759 -0.2554471), wk = 0.0033445 k( 122) = ( 0.5613639 -0.0608951 -0.2271233), wk = 0.0033445 k( 123) = ( 0.5552275 -0.0453143 -0.1987995), wk = 0.0033445 k( 124) = ( 0.5490911 -0.0297335 -0.1704757), wk = 0.0033445 k( 125) = ( 0.5429547 -0.0141527 -0.1421519), wk = 0.0033445 k( 126) = ( 0.5368183 0.0014281 -0.1138282), wk = 0.0033445 k( 127) = ( 0.5306819 0.0170089 -0.0855044), wk = 0.0033445 k( 128) = ( 0.5245456 0.0325897 -0.0571806), wk = 0.0033445 k( 129) = ( 0.5184092 0.0481705 -0.0288568), wk = 0.0033445 k( 130) = ( 0.5122728 0.0637513 -0.0005330), wk = 0.0033445 k( 131) = ( 0.5061364 0.0793320 0.0277907), wk = 0.0033445 k( 132) = ( 0.5000000 0.0949128 0.0561145), wk = 0.0033445 k( 133) = ( 0.5000000 0.0949128 0.0561145), wk = 0.0033445 k( 134) = ( 0.4687500 0.0889808 0.0526074), wk = 0.0033445 k( 135) = ( 0.4375000 0.0830487 0.0491002), wk = 0.0033445 k( 136) = ( 0.4062500 0.0771167 0.0455931), wk = 0.0033445 k( 137) = ( 0.3750000 0.0711846 0.0420859), wk = 0.0033445 k( 138) = ( 0.3437500 0.0652526 0.0385787), wk = 0.0033445 k( 139) = ( 0.3125000 0.0593205 0.0350716), wk = 0.0033445 k( 140) = ( 0.2812500 0.0533885 0.0315644), wk = 0.0033445 k( 141) = ( 0.2500000 0.0474564 0.0280573), wk = 0.0033445 k( 142) = ( 0.2187500 0.0415244 0.0245501), wk = 0.0033445 k( 143) = ( 0.1875000 0.0355923 0.0210429), wk = 0.0033445 k( 144) = ( 0.1562500 0.0296603 0.0175358), wk = 0.0033445 k( 145) = ( 0.1250000 0.0237282 0.0140286), wk = 0.0033445 k( 146) = ( 0.0937500 0.0177962 0.0105215), wk = 0.0033445 k( 147) = ( 0.0625000 0.0118641 0.0070143), wk = 0.0033445 k( 148) = ( 0.0312500 0.0059321 0.0035072), wk = 0.0033445 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 151) = ( 0.0061343 -0.0155755 -0.0283141), wk = 0.0033445 k( 152) = ( 0.0122686 -0.0311509 -0.0566282), wk = 0.0033445 k( 153) = ( 0.0184029 -0.0467264 -0.0849423), wk = 0.0033445 k( 154) = ( 0.0245372 -0.0623018 -0.1132564), wk = 0.0033445 k( 155) = ( 0.0306714 -0.0778773 -0.1415705), wk = 0.0033445 k( 156) = ( 0.0368057 -0.0934528 -0.1698846), wk = 0.0033445 k( 157) = ( 0.0429400 -0.1090282 -0.1981987), wk = 0.0033445 k( 158) = ( 0.0490743 -0.1246037 -0.2265127), wk = 0.0033445 k( 159) = ( 0.0552086 -0.1401791 -0.2548268), wk = 0.0033445 k( 160) = ( 0.0613429 -0.1557546 -0.2831410), wk = 0.0033445 k( 161) = ( 0.0674771 -0.1713301 -0.3114550), wk = 0.0033445 k( 162) = ( 0.0736114 -0.1869055 -0.3397691), wk = 0.0033445 k( 163) = ( 0.0797457 -0.2024810 -0.3680832), wk = 0.0033445 k( 164) = ( 0.0858800 -0.2180564 -0.3963973), wk = 0.0033445 k( 165) = ( 0.0920143 -0.2336319 -0.4247114), wk = 0.0033445 k( 166) = ( 0.0981486 -0.2492074 -0.4530255), wk = 0.0033445 k( 167) = ( 0.1042829 -0.2647828 -0.4813396), wk = 0.0033445 k( 168) = ( 0.1104172 -0.2803583 -0.5096537), wk = 0.0033445 k( 169) = ( 0.1165515 -0.2959338 -0.5379678), wk = 0.0033445 k( 170) = ( 0.1226857 -0.3115092 -0.5662819), wk = 0.0033445 k( 171) = ( 0.1288200 -0.3270847 -0.5945960), wk = 0.0033445 k( 172) = ( 0.1349543 -0.3426601 -0.6229101), wk = 0.0033445 k( 173) = ( 0.1410886 -0.3582356 -0.6512241), wk = 0.0033445 k( 174) = ( 0.1472229 -0.3738110 -0.6795382), wk = 0.0033445 k( 175) = ( 0.1533572 -0.3893865 -0.7078523), wk = 0.0033445 k( 176) = ( 0.1594915 -0.4049620 -0.7361664), wk = 0.0033445 k( 177) = ( 0.1656257 -0.4205374 -0.7644805), wk = 0.0033445 k( 178) = ( 0.1717600 -0.4361129 -0.7927946), wk = 0.0033445 k( 179) = ( 0.1778943 -0.4516883 -0.8211087), wk = 0.0033445 k( 180) = ( 0.1840286 -0.4672638 -0.8494228), wk = 0.0033445 k( 181) = ( 0.1901629 -0.4828393 -0.8777369), wk = 0.0033445 k( 182) = ( 0.1962972 -0.4984147 -0.9060510), wk = 0.0033445 k( 183) = ( 0.2024315 -0.5139902 -0.9343651), wk = 0.0033445 k( 184) = ( 0.2085657 -0.5295656 -0.9626792), wk = 0.0033445 k( 185) = ( 0.2147000 -0.5451411 -0.9909933), wk = 0.0033445 k( 186) = ( 0.2208343 -0.5607166 -1.0193074), wk = 0.0033445 k( 187) = ( 0.2269686 -0.5762920 -1.0476214), wk = 0.0033445 k( 188) = ( 0.2331029 -0.5918675 -1.0759355), wk = 0.0033445 k( 189) = ( 0.2392372 -0.6074430 -1.1042497), wk = 0.0033445 k( 190) = ( 0.2453715 -0.6230184 -1.1325637), wk = 0.0033445 k( 191) = ( 0.2515057 -0.6385939 -1.1608778), wk = 0.0033445 k( 192) = ( 0.2576400 -0.6541693 -1.1891919), wk = 0.0033445 k( 193) = ( 0.2637743 -0.6697448 -1.2175060), wk = 0.0033445 k( 194) = ( 0.2699086 -0.6853202 -1.2458201), wk = 0.0033445 k( 195) = ( 0.2760429 -0.7008957 -1.2741342), wk = 0.0033445 k( 196) = ( 0.2821772 -0.7164712 -1.3024483), wk = 0.0033445 k( 197) = ( 0.2883115 -0.7320466 -1.3307624), wk = 0.0033445 k( 198) = ( 0.2944458 -0.7476221 -1.3590765), wk = 0.0033445 k( 199) = ( 0.3005800 -0.7631975 -1.3873906), wk = 0.0033445 k( 200) = ( 0.3067143 -0.7787730 -1.4157047), wk = 0.0033445 k( 201) = ( 0.3128486 -0.7943485 -1.4440188), wk = 0.0033445 k( 202) = ( 0.3189829 -0.8099239 -1.4723328), wk = 0.0033445 k( 203) = ( 0.3251172 -0.8254994 -1.5006469), wk = 0.0033445 k( 204) = ( 0.3312515 -0.8410749 -1.5289611), wk = 0.0033445 k( 205) = ( 0.3373858 -0.8566503 -1.5572751), wk = 0.0033445 k( 206) = ( 0.6626142 -0.7617375 -1.5011606), wk = 0.0033445 k( 207) = ( 0.6565915 -0.7300097 -1.5011606), wk = 0.0033445 k( 208) = ( 0.6505687 -0.6982819 -1.5011606), wk = 0.0033445 k( 209) = ( 0.6445460 -0.6665541 -1.5011606), wk = 0.0033445 k( 210) = ( 0.6385232 -0.6348263 -1.5011606), wk = 0.0033445 k( 211) = ( 0.6325005 -0.6030985 -1.5011606), wk = 0.0033445 k( 212) = ( 0.6264777 -0.5713707 -1.5011606), wk = 0.0033445 k( 213) = ( 0.6204550 -0.5396429 -1.5011606), wk = 0.0033445 k( 214) = ( 0.6144322 -0.5079151 -1.5011606), wk = 0.0033445 k( 215) = ( 0.6084095 -0.4761874 -1.5011606), wk = 0.0033445 k( 216) = ( 0.6023867 -0.4444596 -1.5011606), wk = 0.0033445 k( 217) = ( 0.5963640 -0.4127318 -1.5011606), wk = 0.0033445 k( 218) = ( 0.5903412 -0.3810040 -1.5011606), wk = 0.0033445 k( 219) = ( 0.5843185 -0.3492762 -1.5011606), wk = 0.0033445 k( 220) = ( 0.5782957 -0.3175484 -1.5011606), wk = 0.0033445 k( 221) = ( 0.5722730 -0.2858206 -1.5011606), wk = 0.0033445 k( 222) = ( 0.5662502 -0.2540928 -1.5011606), wk = 0.0033445 k( 223) = ( 0.5602275 -0.2223651 -1.5011606), wk = 0.0033445 k( 224) = ( 0.5542048 -0.1906373 -1.5011606), wk = 0.0033445 k( 225) = ( 0.5481820 -0.1589095 -1.5011606), wk = 0.0033445 k( 226) = ( 0.5421592 -0.1271817 -1.5011606), wk = 0.0033445 k( 227) = ( 0.5361365 -0.0954539 -1.5011606), wk = 0.0033445 k( 228) = ( 0.5301138 -0.0637261 -1.5011606), wk = 0.0033445 k( 229) = ( 0.5240910 -0.0319983 -1.5011606), wk = 0.0033445 k( 230) = ( 0.5180683 -0.0002705 -1.5011606), wk = 0.0033445 k( 231) = ( 0.5120455 0.0314573 -1.5011606), wk = 0.0033445 k( 232) = ( 0.5060227 0.0631851 -1.5011606), wk = 0.0033445 k( 233) = ( 0.5000000 0.0949128 -1.5011606), wk = 0.0033445 k( 234) = ( 0.5000000 0.0949128 -1.5011606), wk = 0.0033445 k( 235) = ( 0.5271024 0.1000576 -1.4918082), wk = 0.0033445 k( 236) = ( 0.5542048 0.1052023 -1.4824558), wk = 0.0033445 k( 237) = ( 0.5813071 0.1103470 -1.4731034), wk = 0.0033445 k( 238) = ( 0.6084095 0.1154918 -1.4637509), wk = 0.0033445 k( 239) = ( 0.6355119 0.1206365 -1.4543985), wk = 0.0033445 k( 240) = ( 0.6626142 0.1257812 -1.4450461), wk = 0.0033445 k( 241) = ( 0.6626142 0.1257812 -1.4450461), wk = 0.0033445 k( 242) = ( 0.6590791 0.1251102 -1.4124121), wk = 0.0033445 k( 243) = ( 0.6555441 0.1244391 -1.3797782), wk = 0.0033445 k( 244) = ( 0.6520090 0.1237681 -1.3471443), wk = 0.0033445 k( 245) = ( 0.6484739 0.1230970 -1.3145104), wk = 0.0033445 k( 246) = ( 0.6449388 0.1224260 -1.2818764), wk = 0.0033445 k( 247) = ( 0.6414037 0.1217549 -1.2492425), wk = 0.0033445 k( 248) = ( 0.6378686 0.1210838 -1.2166086), wk = 0.0033445 k( 249) = ( 0.6343335 0.1204128 -1.1839747), wk = 0.0033445 k( 250) = ( 0.6307984 0.1197417 -1.1513408), wk = 0.0033445 k( 251) = ( 0.6272633 0.1190707 -1.1187068), wk = 0.0033445 k( 252) = ( 0.6237282 0.1183996 -1.0860729), wk = 0.0033445 k( 253) = ( 0.6201931 0.1177286 -1.0534389), wk = 0.0033445 k( 254) = ( 0.6166580 0.1170575 -1.0208050), wk = 0.0033445 k( 255) = ( 0.6131230 0.1163865 -0.9881711), wk = 0.0033445 k( 256) = ( 0.6095879 0.1157154 -0.9555372), wk = 0.0033445 k( 257) = ( 0.6060528 0.1150444 -0.9229033), wk = 0.0033445 k( 258) = ( 0.6025177 0.1143733 -0.8902693), wk = 0.0033445 k( 259) = ( 0.5989826 0.1137023 -0.8576354), wk = 0.0033445 k( 260) = ( 0.5954475 0.1130312 -0.8250015), wk = 0.0033445 k( 261) = ( 0.5919124 0.1123602 -0.7923675), wk = 0.0033445 k( 262) = ( 0.5883773 0.1116891 -0.7597336), wk = 0.0033445 k( 263) = ( 0.5848422 0.1110181 -0.7270997), wk = 0.0033445 k( 264) = ( 0.5813071 0.1103470 -0.6944658), wk = 0.0033445 k( 265) = ( 0.5777720 0.1096760 -0.6618318), wk = 0.0033445 k( 266) = ( 0.5742369 0.1090049 -0.6291979), wk = 0.0033445 k( 267) = ( 0.5707018 0.1083339 -0.5965640), wk = 0.0033445 k( 268) = ( 0.5671668 0.1076628 -0.5639301), wk = 0.0033445 k( 269) = ( 0.5636317 0.1069918 -0.5312962), wk = 0.0033445 k( 270) = ( 0.5600966 0.1063207 -0.4986622), wk = 0.0033445 k( 271) = ( 0.5565615 0.1056497 -0.4660283), wk = 0.0033445 k( 272) = ( 0.5530264 0.1049786 -0.4333943), wk = 0.0033445 k( 273) = ( 0.5494913 0.1043076 -0.4007604), wk = 0.0033445 k( 274) = ( 0.5459562 0.1036365 -0.3681265), wk = 0.0033445 k( 275) = ( 0.5424211 0.1029655 -0.3354926), wk = 0.0033445 k( 276) = ( 0.5388860 0.1022944 -0.3028587), wk = 0.0033445 k( 277) = ( 0.5353509 0.1016234 -0.2702247), wk = 0.0033445 k( 278) = ( 0.5318158 0.1009523 -0.2375908), wk = 0.0033445 k( 279) = ( 0.5282807 0.1002813 -0.2049569), wk = 0.0033445 k( 280) = ( 0.5247456 0.0996102 -0.1723229), wk = 0.0033445 k( 281) = ( 0.5212106 0.0989392 -0.1396890), wk = 0.0033445 k( 282) = ( 0.5176755 0.0982681 -0.1070551), wk = 0.0033445 k( 283) = ( 0.5141404 0.0975971 -0.0744212), wk = 0.0033445 k( 284) = ( 0.5106053 0.0969260 -0.0417873), wk = 0.0033445 k( 285) = ( 0.5070702 0.0962549 -0.0091533), wk = 0.0033445 k( 286) = ( 0.5035351 0.0955839 0.0234806), wk = 0.0033445 k( 287) = ( 0.5000000 0.0949128 0.0561145), wk = 0.0033445 k( 288) = ( 0.5000000 -1.2695413 -0.7505803), wk = 0.0033445 k( 289) = ( 0.5295662 -1.2609128 -0.7454790), wk = 0.0033445 k( 290) = ( 0.5591325 -1.2522844 -0.7403777), wk = 0.0033445 k( 291) = ( 0.5886987 -1.2436559 -0.7352763), wk = 0.0033445 k( 292) = ( 0.6182649 -1.2350275 -0.7301750), wk = 0.0033445 k( 293) = ( 0.6478311 -1.2263991 -0.7250737), wk = 0.0033445 k( 294) = ( 0.6773974 -1.2177706 -0.7199724), wk = 0.0033445 k( 295) = ( 0.7069636 -1.2091422 -0.7148711), wk = 0.0033445 k( 296) = ( 0.7365298 -1.2005138 -0.7097697), wk = 0.0033445 k( 297) = ( 0.7660960 -1.1918853 -0.7046684), wk = 0.0033445 k( 298) = ( 0.7956623 -1.1832569 -0.6995671), wk = 0.0033445 k( 299) = ( 0.8252285 -1.1746284 -0.6944658), wk = 0.0033445 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 2) = ( 0.0106383 0.0000000 -0.0000000), wk = 0.0033445 k( 3) = ( 0.0212766 0.0000000 -0.0000000), wk = 0.0033445 k( 4) = ( 0.0319149 0.0000000 0.0000000), wk = 0.0033445 k( 5) = ( 0.0425532 -0.0000000 0.0000000), wk = 0.0033445 k( 6) = ( 0.0531915 0.0000000 0.0000000), wk = 0.0033445 k( 7) = ( 0.0638298 -0.0000000 0.0000000), wk = 0.0033445 k( 8) = ( 0.0744681 -0.0000000 0.0000000), wk = 0.0033445 k( 9) = ( 0.0851064 -0.0000000 0.0000000), wk = 0.0033445 k( 10) = ( 0.0957447 -0.0000000 0.0000000), wk = 0.0033445 k( 11) = ( 0.1063830 0.0000000 0.0000000), wk = 0.0033445 k( 12) = ( 0.1170213 -0.0000000 -0.0000000), wk = 0.0033445 k( 13) = ( 0.1276596 0.0000000 0.0000000), wk = 0.0033445 k( 14) = ( 0.1382979 -0.0000000 -0.0000000), wk = 0.0033445 k( 15) = ( 0.1489362 0.0000000 0.0000000), wk = 0.0033445 k( 16) = ( 0.1595745 -0.0000000 0.0000000), wk = 0.0033445 k( 17) = ( 0.1702128 -0.0000000 0.0000000), wk = 0.0033445 k( 18) = ( 0.1808511 0.0000000 -0.0000000), wk = 0.0033445 k( 19) = ( 0.1914894 -0.0000000 0.0000000), wk = 0.0033445 k( 20) = ( 0.2021277 -0.0000000 0.0000000), wk = 0.0033445 k( 21) = ( 0.2127660 0.0000000 0.0000000), wk = 0.0033445 k( 22) = ( 0.2234043 -0.0000000 -0.0000000), wk = 0.0033445 k( 23) = ( 0.2340425 0.0000000 -0.0000000), wk = 0.0033445 k( 24) = ( 0.2446809 0.0000000 -0.0000000), wk = 0.0033445 k( 25) = ( 0.2553191 -0.0000000 0.0000000), wk = 0.0033445 k( 26) = ( 0.2659574 -0.0000000 0.0000000), wk = 0.0033445 k( 27) = ( 0.2765957 -0.0000000 -0.0000000), wk = 0.0033445 k( 28) = ( 0.2872340 0.0000000 0.0000000), wk = 0.0033445 k( 29) = ( 0.2978723 0.0000000 0.0000000), wk = 0.0033445 k( 30) = ( 0.3085106 0.0000000 0.0000000), wk = 0.0033445 k( 31) = ( 0.3191489 -0.0000000 0.0000000), wk = 0.0033445 k( 32) = ( 0.3297872 -0.0000000 -0.0000000), wk = 0.0033445 k( 33) = ( 0.3404255 -0.0000000 -0.0000000), wk = 0.0033445 k( 34) = ( 0.3510638 -0.0000000 0.0000000), wk = 0.0033445 k( 35) = ( 0.3617021 -0.0000000 0.0000000), wk = 0.0033445 k( 36) = ( 0.3723404 -0.0000000 -0.0000000), wk = 0.0033445 k( 37) = ( 0.3829787 -0.0000000 0.0000000), wk = 0.0033445 k( 38) = ( 0.3936170 -0.0000000 -0.0000000), wk = 0.0033445 k( 39) = ( 0.4042553 -0.0000000 0.0000000), wk = 0.0033445 k( 40) = ( 0.4148936 0.0000000 0.0000000), wk = 0.0033445 k( 41) = ( 0.4255319 -0.0000000 -0.0000000), wk = 0.0033445 k( 42) = ( 0.4361702 -0.0000000 -0.0000000), wk = 0.0033445 k( 43) = ( 0.4468085 -0.0000000 -0.0000000), wk = 0.0033445 k( 44) = ( 0.4574468 -0.0000000 -0.0000000), wk = 0.0033445 k( 45) = ( 0.4680851 0.0000000 0.0000000), wk = 0.0033445 k( 46) = ( 0.4787234 -0.0000000 -0.0000000), wk = 0.0033445 k( 47) = ( 0.4893617 0.0000000 -0.0000000), wk = 0.0033445 k( 48) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033445 k( 49) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033445 k( 50) = ( 0.5000000 0.0060266 -0.0060266), wk = 0.0033445 k( 51) = ( 0.5000000 0.0120532 -0.0120532), wk = 0.0033445 k( 52) = ( 0.5000000 0.0180798 -0.0180798), wk = 0.0033445 k( 53) = ( 0.5000000 0.0241064 -0.0241064), wk = 0.0033445 k( 54) = ( 0.5000000 0.0301330 -0.0301330), wk = 0.0033445 k( 55) = ( 0.5000000 0.0361596 -0.0361596), wk = 0.0033445 k( 56) = ( 0.5000000 0.0421862 -0.0421862), wk = 0.0033445 k( 57) = ( 0.5000000 0.0482128 -0.0482128), wk = 0.0033445 k( 58) = ( 0.5000000 0.0542394 -0.0542394), wk = 0.0033445 k( 59) = ( 0.5000000 0.0602660 -0.0602660), wk = 0.0033445 k( 60) = ( 0.5000000 0.0662926 -0.0662926), wk = 0.0033445 k( 61) = ( 0.5000000 0.0723193 -0.0723192), wk = 0.0033445 k( 62) = ( 0.5000000 0.0783459 -0.0783459), wk = 0.0033445 k( 63) = ( 0.5000000 0.0843725 -0.0843725), wk = 0.0033445 k( 64) = ( 0.5000000 0.0903991 -0.0903991), wk = 0.0033445 k( 65) = ( 0.5000000 0.0964257 -0.0964257), wk = 0.0033445 k( 66) = ( 0.5000000 0.1024523 -0.1024523), wk = 0.0033445 k( 67) = ( 0.5000000 0.1084789 -0.1084789), wk = 0.0033445 k( 68) = ( 0.5000000 0.1145055 -0.1145055), wk = 0.0033445 k( 69) = ( 0.5000000 0.1205321 -0.1205321), wk = 0.0033445 k( 70) = ( 0.5000000 0.1265587 -0.1265587), wk = 0.0033445 k( 71) = ( 0.5000000 0.1325853 -0.1325853), wk = 0.0033445 k( 72) = ( 0.5000000 0.1386119 -0.1386119), wk = 0.0033445 k( 73) = ( 0.5000000 0.1446385 -0.1446385), wk = 0.0033445 k( 74) = ( 0.5000000 0.1506651 -0.1506651), wk = 0.0033445 k( 75) = ( 0.5000000 0.1566917 -0.1566917), wk = 0.0033445 k( 76) = ( 0.5000000 0.1627183 -0.1627183), wk = 0.0033445 k( 77) = ( 0.5000000 0.1687449 -0.1687449), wk = 0.0033445 k( 78) = ( 0.5000000 0.1747715 -0.1747715), wk = 0.0033445 k( 79) = ( 0.8252285 0.5000000 0.1747715), wk = 0.0033445 k( 80) = ( 0.8190921 0.5000000 0.1809079), wk = 0.0033445 k( 81) = ( 0.8129557 0.5000000 0.1870443), wk = 0.0033445 k( 82) = ( 0.8068193 0.5000000 0.1931807), wk = 0.0033445 k( 83) = ( 0.8006829 0.5000000 0.1993171), wk = 0.0033445 k( 84) = ( 0.7945465 0.5000000 0.2054535), wk = 0.0033445 k( 85) = ( 0.7884102 0.5000000 0.2115898), wk = 0.0033445 k( 86) = ( 0.7822738 0.5000000 0.2177262), wk = 0.0033445 k( 87) = ( 0.7761374 0.5000000 0.2238626), wk = 0.0033445 k( 88) = ( 0.7700010 0.5000000 0.2299990), wk = 0.0033445 k( 89) = ( 0.7638646 0.5000000 0.2361354), wk = 0.0033445 k( 90) = ( 0.7577282 0.5000000 0.2422718), wk = 0.0033445 k( 91) = ( 0.7515918 0.5000000 0.2484082), wk = 0.0033445 k( 92) = ( 0.7454555 0.5000000 0.2545446), wk = 0.0033445 k( 93) = ( 0.7393191 0.5000000 0.2606809), wk = 0.0033445 k( 94) = ( 0.7331827 0.5000000 0.2668173), wk = 0.0033445 k( 95) = ( 0.7270463 0.5000000 0.2729537), wk = 0.0033445 k( 96) = ( 0.7209099 0.5000000 0.2790901), wk = 0.0033445 k( 97) = ( 0.7147735 0.5000000 0.2852265), wk = 0.0033445 k( 98) = ( 0.7086371 0.5000000 0.2913629), wk = 0.0033445 k( 99) = ( 0.7025008 0.5000000 0.2974993), wk = 0.0033445 k( 100) = ( 0.6963644 0.5000000 0.3036356), wk = 0.0033445 k( 101) = ( 0.6902280 0.5000000 0.3097720), wk = 0.0033445 k( 102) = ( 0.6840916 0.5000000 0.3159084), wk = 0.0033445 k( 103) = ( 0.6779552 0.5000000 0.3220448), wk = 0.0033445 k( 104) = ( 0.6718188 0.5000000 0.3281812), wk = 0.0033445 k( 105) = ( 0.6656824 0.5000000 0.3343176), wk = 0.0033445 k( 106) = ( 0.6595460 0.5000000 0.3404540), wk = 0.0033445 k( 107) = ( 0.6534097 0.5000000 0.3465903), wk = 0.0033445 k( 108) = ( 0.6472733 0.5000000 0.3527267), wk = 0.0033445 k( 109) = ( 0.6411369 0.5000000 0.3588631), wk = 0.0033445 k( 110) = ( 0.6350005 0.5000000 0.3649995), wk = 0.0033445 k( 111) = ( 0.6288641 0.5000000 0.3711359), wk = 0.0033445 k( 112) = ( 0.6227277 0.5000000 0.3772723), wk = 0.0033445 k( 113) = ( 0.6165913 0.5000000 0.3834087), wk = 0.0033445 k( 114) = ( 0.6104550 0.5000000 0.3895451), wk = 0.0033445 k( 115) = ( 0.6043186 0.5000000 0.3956814), wk = 0.0033445 k( 116) = ( 0.5981822 0.5000000 0.4018178), wk = 0.0033445 k( 117) = ( 0.5920458 0.5000000 0.4079542), wk = 0.0033445 k( 118) = ( 0.5859094 0.5000000 0.4140906), wk = 0.0033445 k( 119) = ( 0.5797730 0.5000000 0.4202270), wk = 0.0033445 k( 120) = ( 0.5736366 0.5000000 0.4263634), wk = 0.0033445 k( 121) = ( 0.5675003 0.5000000 0.4324998), wk = 0.0033445 k( 122) = ( 0.5613639 0.5000000 0.4386361), wk = 0.0033445 k( 123) = ( 0.5552275 0.5000000 0.4447725), wk = 0.0033445 k( 124) = ( 0.5490911 0.5000000 0.4509089), wk = 0.0033445 k( 125) = ( 0.5429547 0.5000000 0.4570453), wk = 0.0033445 k( 126) = ( 0.5368183 0.5000000 0.4631817), wk = 0.0033445 k( 127) = ( 0.5306819 0.5000000 0.4693181), wk = 0.0033445 k( 128) = ( 0.5245456 0.5000000 0.4754544), wk = 0.0033445 k( 129) = ( 0.5184092 0.5000000 0.4815908), wk = 0.0033445 k( 130) = ( 0.5122728 0.5000000 0.4877272), wk = 0.0033445 k( 131) = ( 0.5061364 0.5000000 0.4938636), wk = 0.0033445 k( 132) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033445 k( 133) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033445 k( 134) = ( 0.4687500 0.4687500 0.4687500), wk = 0.0033445 k( 135) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0033445 k( 136) = ( 0.4062500 0.4062500 0.4062500), wk = 0.0033445 k( 137) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0033445 k( 138) = ( 0.3437500 0.3437500 0.3437500), wk = 0.0033445 k( 139) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0033445 k( 140) = ( 0.2812500 0.2812500 0.2812500), wk = 0.0033445 k( 141) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033445 k( 142) = ( 0.2187500 0.2187500 0.2187500), wk = 0.0033445 k( 143) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0033445 k( 144) = ( 0.1562500 0.1562500 0.1562500), wk = 0.0033445 k( 145) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0033445 k( 146) = ( 0.0937500 0.0937500 0.0937500), wk = 0.0033445 k( 147) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0033445 k( 148) = ( 0.0312500 0.0312500 0.0312500), wk = 0.0033445 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033445 k( 151) = ( 0.0061343 0.0000000 -0.0061343), wk = 0.0033445 k( 152) = ( 0.0122686 0.0000000 -0.0122686), wk = 0.0033445 k( 153) = ( 0.0184029 -0.0000000 -0.0184029), wk = 0.0033445 k( 154) = ( 0.0245372 -0.0000000 -0.0245372), wk = 0.0033445 k( 155) = ( 0.0306714 -0.0000000 -0.0306714), wk = 0.0033445 k( 156) = ( 0.0368057 -0.0000000 -0.0368057), wk = 0.0033445 k( 157) = ( 0.0429400 -0.0000000 -0.0429400), wk = 0.0033445 k( 158) = ( 0.0490743 0.0000000 -0.0490743), wk = 0.0033445 k( 159) = ( 0.0552086 -0.0000000 -0.0552086), wk = 0.0033445 k( 160) = ( 0.0613429 -0.0000000 -0.0613429), wk = 0.0033445 k( 161) = ( 0.0674771 -0.0000000 -0.0674771), wk = 0.0033445 k( 162) = ( 0.0736114 -0.0000000 -0.0736114), wk = 0.0033445 k( 163) = ( 0.0797457 0.0000000 -0.0797457), wk = 0.0033445 k( 164) = ( 0.0858800 -0.0000000 -0.0858800), wk = 0.0033445 k( 165) = ( 0.0920143 -0.0000000 -0.0920143), wk = 0.0033445 k( 166) = ( 0.0981486 -0.0000000 -0.0981486), wk = 0.0033445 k( 167) = ( 0.1042829 0.0000000 -0.1042829), wk = 0.0033445 k( 168) = ( 0.1104172 -0.0000000 -0.1104172), wk = 0.0033445 k( 169) = ( 0.1165515 0.0000000 -0.1165515), wk = 0.0033445 k( 170) = ( 0.1226857 -0.0000000 -0.1226857), wk = 0.0033445 k( 171) = ( 0.1288200 -0.0000000 -0.1288200), wk = 0.0033445 k( 172) = ( 0.1349543 -0.0000000 -0.1349543), wk = 0.0033445 k( 173) = ( 0.1410886 0.0000000 -0.1410886), wk = 0.0033445 k( 174) = ( 0.1472229 -0.0000000 -0.1472229), wk = 0.0033445 k( 175) = ( 0.1533572 -0.0000000 -0.1533572), wk = 0.0033445 k( 176) = ( 0.1594915 -0.0000000 -0.1594915), wk = 0.0033445 k( 177) = ( 0.1656257 -0.0000000 -0.1656257), wk = 0.0033445 k( 178) = ( 0.1717600 -0.0000000 -0.1717600), wk = 0.0033445 k( 179) = ( 0.1778943 -0.0000000 -0.1778943), wk = 0.0033445 k( 180) = ( 0.1840286 -0.0000000 -0.1840286), wk = 0.0033445 k( 181) = ( 0.1901629 0.0000000 -0.1901629), wk = 0.0033445 k( 182) = ( 0.1962972 0.0000000 -0.1962972), wk = 0.0033445 k( 183) = ( 0.2024315 -0.0000000 -0.2024315), wk = 0.0033445 k( 184) = ( 0.2085657 0.0000000 -0.2085657), wk = 0.0033445 k( 185) = ( 0.2147000 0.0000000 -0.2147000), wk = 0.0033445 k( 186) = ( 0.2208343 -0.0000000 -0.2208343), wk = 0.0033445 k( 187) = ( 0.2269686 -0.0000000 -0.2269686), wk = 0.0033445 k( 188) = ( 0.2331029 0.0000000 -0.2331029), wk = 0.0033445 k( 189) = ( 0.2392372 0.0000000 -0.2392372), wk = 0.0033445 k( 190) = ( 0.2453715 -0.0000000 -0.2453715), wk = 0.0033445 k( 191) = ( 0.2515057 -0.0000000 -0.2515058), wk = 0.0033445 k( 192) = ( 0.2576400 -0.0000000 -0.2576400), wk = 0.0033445 k( 193) = ( 0.2637743 -0.0000000 -0.2637743), wk = 0.0033445 k( 194) = ( 0.2699086 -0.0000000 -0.2699086), wk = 0.0033445 k( 195) = ( 0.2760429 0.0000000 -0.2760429), wk = 0.0033445 k( 196) = ( 0.2821772 0.0000000 -0.2821772), wk = 0.0033445 k( 197) = ( 0.2883115 -0.0000000 -0.2883115), wk = 0.0033445 k( 198) = ( 0.2944458 -0.0000000 -0.2944458), wk = 0.0033445 k( 199) = ( 0.3005800 -0.0000000 -0.3005800), wk = 0.0033445 k( 200) = ( 0.3067143 -0.0000000 -0.3067143), wk = 0.0033445 k( 201) = ( 0.3128486 -0.0000000 -0.3128486), wk = 0.0033445 k( 202) = ( 0.3189829 -0.0000000 -0.3189829), wk = 0.0033445 k( 203) = ( 0.3251172 -0.0000000 -0.3251172), wk = 0.0033445 k( 204) = ( 0.3312515 -0.0000000 -0.3312515), wk = 0.0033445 k( 205) = ( 0.3373858 0.0000000 -0.3373858), wk = 0.0033445 k( 206) = ( 0.6626142 0.3373858 0.0000000), wk = 0.0033445 k( 207) = ( 0.6565915 0.3434085 0.0000000), wk = 0.0033445 k( 208) = ( 0.6505687 0.3494313 0.0000000), wk = 0.0033445 k( 209) = ( 0.6445460 0.3554540 0.0000000), wk = 0.0033445 k( 210) = ( 0.6385232 0.3614768 0.0000000), wk = 0.0033445 k( 211) = ( 0.6325005 0.3674995 0.0000000), wk = 0.0033445 k( 212) = ( 0.6264777 0.3735223 -0.0000000), wk = 0.0033445 k( 213) = ( 0.6204550 0.3795450 0.0000000), wk = 0.0033445 k( 214) = ( 0.6144322 0.3855678 0.0000000), wk = 0.0033445 k( 215) = ( 0.6084095 0.3915905 0.0000000), wk = 0.0033445 k( 216) = ( 0.6023867 0.3976133 0.0000000), wk = 0.0033445 k( 217) = ( 0.5963640 0.4036360 0.0000000), wk = 0.0033445 k( 218) = ( 0.5903412 0.4096588 -0.0000000), wk = 0.0033445 k( 219) = ( 0.5843185 0.4156815 0.0000000), wk = 0.0033445 k( 220) = ( 0.5782957 0.4217043 0.0000000), wk = 0.0033445 k( 221) = ( 0.5722730 0.4277270 0.0000000), wk = 0.0033445 k( 222) = ( 0.5662502 0.4337498 0.0000000), wk = 0.0033445 k( 223) = ( 0.5602275 0.4397725 0.0000000), wk = 0.0033445 k( 224) = ( 0.5542048 0.4457953 -0.0000000), wk = 0.0033445 k( 225) = ( 0.5481820 0.4518180 0.0000000), wk = 0.0033445 k( 226) = ( 0.5421592 0.4578408 -0.0000000), wk = 0.0033445 k( 227) = ( 0.5361365 0.4638635 0.0000000), wk = 0.0033445 k( 228) = ( 0.5301138 0.4698863 0.0000000), wk = 0.0033445 k( 229) = ( 0.5240910 0.4759090 0.0000000), wk = 0.0033445 k( 230) = ( 0.5180683 0.4819318 0.0000000), wk = 0.0033445 k( 231) = ( 0.5120455 0.4879545 0.0000000), wk = 0.0033445 k( 232) = ( 0.5060227 0.4939772 0.0000000), wk = 0.0033445 k( 233) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033445 k( 234) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0033445 k( 235) = ( 0.5271024 0.5271024 0.0291286), wk = 0.0033445 k( 236) = ( 0.5542048 0.5542048 0.0582572), wk = 0.0033445 k( 237) = ( 0.5813071 0.5813071 0.0873858), wk = 0.0033445 k( 238) = ( 0.6084095 0.6084095 0.1165144), wk = 0.0033445 k( 239) = ( 0.6355119 0.6355119 0.1456429), wk = 0.0033445 k( 240) = ( 0.6626142 0.6626142 0.1747715), wk = 0.0033445 k( 241) = ( 0.6626142 0.6626142 0.1747715), wk = 0.0033445 k( 242) = ( 0.6590791 0.6590791 0.1818417), wk = 0.0033445 k( 243) = ( 0.6555441 0.6555441 0.1889119), wk = 0.0033445 k( 244) = ( 0.6520090 0.6520090 0.1959821), wk = 0.0033445 k( 245) = ( 0.6484739 0.6484739 0.2030523), wk = 0.0033445 k( 246) = ( 0.6449388 0.6449388 0.2101225), wk = 0.0033445 k( 247) = ( 0.6414037 0.6414037 0.2171926), wk = 0.0033445 k( 248) = ( 0.6378686 0.6378686 0.2242628), wk = 0.0033445 k( 249) = ( 0.6343335 0.6343335 0.2313330), wk = 0.0033445 k( 250) = ( 0.6307984 0.6307984 0.2384032), wk = 0.0033445 k( 251) = ( 0.6272633 0.6272633 0.2454734), wk = 0.0033445 k( 252) = ( 0.6237282 0.6237282 0.2525436), wk = 0.0033445 k( 253) = ( 0.6201931 0.6201931 0.2596137), wk = 0.0033445 k( 254) = ( 0.6166580 0.6166580 0.2666839), wk = 0.0033445 k( 255) = ( 0.6131230 0.6131230 0.2737541), wk = 0.0033445 k( 256) = ( 0.6095879 0.6095879 0.2808243), wk = 0.0033445 k( 257) = ( 0.6060528 0.6060528 0.2878945), wk = 0.0033445 k( 258) = ( 0.6025177 0.6025177 0.2949647), wk = 0.0033445 k( 259) = ( 0.5989826 0.5989826 0.3020348), wk = 0.0033445 k( 260) = ( 0.5954475 0.5954475 0.3091050), wk = 0.0033445 k( 261) = ( 0.5919124 0.5919124 0.3161752), wk = 0.0033445 k( 262) = ( 0.5883773 0.5883773 0.3232454), wk = 0.0033445 k( 263) = ( 0.5848422 0.5848422 0.3303156), wk = 0.0033445 k( 264) = ( 0.5813071 0.5813071 0.3373858), wk = 0.0033445 k( 265) = ( 0.5777720 0.5777720 0.3444560), wk = 0.0033445 k( 266) = ( 0.5742369 0.5742369 0.3515261), wk = 0.0033445 k( 267) = ( 0.5707018 0.5707018 0.3585963), wk = 0.0033445 k( 268) = ( 0.5671668 0.5671668 0.3656665), wk = 0.0033445 k( 269) = ( 0.5636317 0.5636317 0.3727367), wk = 0.0033445 k( 270) = ( 0.5600966 0.5600966 0.3798069), wk = 0.0033445 k( 271) = ( 0.5565615 0.5565615 0.3868771), wk = 0.0033445 k( 272) = ( 0.5530264 0.5530264 0.3939472), wk = 0.0033445 k( 273) = ( 0.5494913 0.5494913 0.4010174), wk = 0.0033445 k( 274) = ( 0.5459562 0.5459562 0.4080876), wk = 0.0033445 k( 275) = ( 0.5424211 0.5424211 0.4151578), wk = 0.0033445 k( 276) = ( 0.5388860 0.5388860 0.4222280), wk = 0.0033445 k( 277) = ( 0.5353509 0.5353509 0.4292982), wk = 0.0033445 k( 278) = ( 0.5318158 0.5318158 0.4363683), wk = 0.0033445 k( 279) = ( 0.5282807 0.5282807 0.4434385), wk = 0.0033445 k( 280) = ( 0.5247456 0.5247456 0.4505087), wk = 0.0033445 k( 281) = ( 0.5212106 0.5212106 0.4575789), wk = 0.0033445 k( 282) = ( 0.5176755 0.5176755 0.4646491), wk = 0.0033445 k( 283) = ( 0.5141404 0.5141404 0.4717193), wk = 0.0033445 k( 284) = ( 0.5106053 0.5106053 0.4787895), wk = 0.0033445 k( 285) = ( 0.5070702 0.5070702 0.4858596), wk = 0.0033445 k( 286) = ( 0.5035351 0.5035351 0.4929298), wk = 0.0033445 k( 287) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033445 k( 288) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033445 k( 289) = ( 0.5295662 0.0306714 0.0306714), wk = 0.0033445 k( 290) = ( 0.5591325 0.0613429 0.0613429), wk = 0.0033445 k( 291) = ( 0.5886987 0.0920143 0.0920143), wk = 0.0033445 k( 292) = ( 0.6182649 0.1226857 0.1226857), wk = 0.0033445 k( 293) = ( 0.6478311 0.1533572 0.1533572), wk = 0.0033445 k( 294) = ( 0.6773974 0.1840286 0.1840286), wk = 0.0033445 k( 295) = ( 0.7069636 0.2147000 0.2147000), wk = 0.0033445 k( 296) = ( 0.7365298 0.2453715 0.2453715), wk = 0.0033445 k( 297) = ( 0.7660960 0.2760429 0.2760429), wk = 0.0033445 k( 298) = ( 0.7956623 0.3067143 0.3067143), wk = 0.0033445 k( 299) = ( 0.8252285 0.3373858 0.3373858), wk = 0.0033445 Dense grid: 68873 G-vectors FFT dimensions: ( 108, 108, 108) Smooth grid: 37823 G-vectors FFT dimensions: ( 90, 90, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.19 Mb ( 280, 44) NL pseudopotentials 0.44 Mb ( 140, 204) Each V/rho on FFT grid 0.53 Mb ( 34992) Each G-vector array 0.01 Mb ( 1912) G-vector shells 0.01 Mb ( 1583) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.75 Mb ( 280, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.27 Mb ( 204, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CaSi2.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.8 secs Computing kpt #: 2 total cpu time spent up to now is 8.1 secs Computing kpt #: 3 total cpu time spent up to now is 10.3 secs Computing kpt #: 4 total cpu time spent up to now is 12.8 secs Computing kpt #: 5 total cpu time spent up to now is 15.5 secs Computing kpt #: 6 total cpu time spent up to now is 17.8 secs Computing kpt #: 7 total cpu time spent up to now is 20.0 secs Computing kpt #: 8 total cpu time spent up to now is 22.3 secs Computing kpt #: 9 total cpu time spent up to now is 24.5 secs Computing kpt #: 10 total cpu time spent up to now is 26.7 secs Computing kpt #: 11 total cpu time spent up to now is 28.9 secs Computing kpt #: 12 total cpu time spent up to now is 31.0 secs Computing kpt #: 13 total cpu time spent up to now is 33.2 secs Computing kpt #: 14 total cpu time spent up to now is 35.4 secs Computing kpt #: 15 total cpu time spent up to now is 37.7 secs Computing kpt #: 16 total cpu time spent up to now is 39.9 secs Computing kpt #: 17 total cpu time spent up to now is 42.4 secs Computing kpt #: 18 total cpu time spent up to now is 44.8 secs Computing kpt #: 19 total cpu time spent up to now is 47.3 secs Computing kpt #: 20 total cpu time spent up to now is 49.6 secs Computing kpt #: 21 total cpu time spent up to now is 51.8 secs Computing kpt #: 22 total cpu time spent up to now is 54.0 secs Computing kpt #: 23 total cpu time spent up to now is 56.1 secs Computing kpt #: 24 total cpu time spent up to now is 58.2 secs Computing kpt #: 25 total cpu time spent up to now is 60.3 secs Computing kpt #: 26 total cpu time spent up to now is 62.7 secs Computing kpt #: 27 total cpu time spent up to now is 65.1 secs Computing kpt #: 28 total cpu time spent up to now is 67.8 secs Computing kpt #: 29 total cpu time spent up to now is 70.3 secs Computing kpt #: 30 total cpu time spent up to now is 72.8 secs Computing kpt #: 31 total cpu time spent up to now is 75.2 secs Computing kpt #: 32 total cpu time spent up to now is 77.6 secs Computing kpt #: 33 total cpu time spent up to now is 79.6 secs Computing kpt #: 34 total cpu time spent up to now is 81.9 secs Computing kpt #: 35 total cpu time spent up to now is 84.0 secs Computing kpt #: 36 total cpu time spent up to now is 86.0 secs Computing kpt #: 37 total cpu time spent up to now is 88.0 secs Computing kpt #: 38 total cpu time spent up to now is 90.0 secs Computing kpt #: 39 total cpu time spent up to now is 92.3 secs Computing kpt #: 40 total cpu time spent up to now is 94.3 secs Computing kpt #: 41 total cpu time spent up to now is 96.2 secs Computing kpt #: 42 total cpu time spent up to now is 98.1 secs Computing kpt #: 43 total cpu time spent up to now is 100.0 secs Computing kpt #: 44 total cpu time spent up to now is 101.9 secs Computing kpt #: 45 total cpu time spent up to now is 103.8 secs Computing kpt #: 46 total cpu time spent up to now is 106.0 secs Computing kpt #: 47 total cpu time spent up to now is 108.1 secs Computing kpt #: 48 total cpu time spent up to now is 109.9 secs Computing kpt #: 49 total cpu time spent up to now is 111.8 secs Computing kpt #: 50 total cpu time spent up to now is 113.7 secs Computing kpt #: 51 total cpu time spent up to now is 115.6 secs Computing kpt #: 52 total cpu time spent up to now is 117.5 secs Computing kpt #: 53 total cpu time spent up to now is 119.5 secs Computing kpt #: 54 total cpu time spent up to now is 121.8 secs Computing kpt #: 55 total cpu time spent up to now is 123.8 secs Computing kpt #: 56 total cpu time spent up to now is 126.2 secs Computing kpt #: 57 total cpu time spent up to now is 128.5 secs Computing kpt #: 58 total cpu time spent up to now is 130.8 secs Computing kpt #: 59 total cpu time spent up to now is 133.2 secs Computing kpt #: 60 total cpu time spent up to now is 135.6 secs Computing kpt #: 61 total cpu time spent up to now is 138.0 secs Computing kpt #: 62 total cpu time spent up to now is 140.5 secs Computing kpt #: 63 total cpu time spent up to now is 142.8 secs Computing kpt #: 64 total cpu time spent up to now is 144.9 secs Computing kpt #: 65 total cpu time spent up to now is 146.9 secs Computing kpt #: 66 total cpu time spent up to now is 148.9 secs Computing kpt #: 67 total cpu time spent up to now is 150.8 secs Computing kpt #: 68 total cpu time spent up to now is 152.7 secs Computing kpt #: 69 total cpu time spent up to now is 154.6 secs Computing kpt #: 70 total cpu time spent up to now is 156.5 secs Computing kpt #: 71 total cpu time spent up to now is 158.3 secs Computing kpt #: 72 total cpu time spent up to now is 160.2 secs Computing kpt #: 73 total cpu time spent up to now is 162.1 secs Computing kpt #: 74 total cpu time spent up to now is 164.0 secs Computing kpt #: 75 total cpu time spent up to now is 165.9 secs Computing kpt #: 76 total cpu time spent up to now is 167.8 secs Computing kpt #: 77 total cpu time spent up to now is 169.6 secs Computing kpt #: 78 total cpu time spent up to now is 171.6 secs Computing kpt #: 79 total cpu time spent up to now is 173.4 secs Computing kpt #: 80 total cpu time spent up to now is 175.3 secs Computing kpt #: 81 total cpu time spent up to now is 177.2 secs Computing kpt #: 82 total cpu time spent up to now is 179.1 secs Computing kpt #: 83 total cpu time spent up to now is 181.0 secs Computing kpt #: 84 total cpu time spent up to now is 182.9 secs Computing kpt #: 85 total cpu time spent up to now is 184.7 secs Computing kpt #: 86 total cpu time spent up to now is 186.6 secs Computing kpt #: 87 total cpu time spent up to now is 188.5 secs Computing kpt #: 88 total cpu time spent up to now is 190.5 secs Computing kpt #: 89 total cpu time spent up to now is 192.4 secs Computing kpt #: 90 total cpu time spent up to now is 194.4 secs Computing kpt #: 91 total cpu time spent up to now is 196.4 secs Computing kpt #: 92 total cpu time spent up to now is 198.3 secs Computing kpt #: 93 total cpu time spent up to now is 200.3 secs Computing kpt #: 94 total cpu time spent up to now is 202.2 secs Computing kpt #: 95 total cpu time spent up to now is 204.2 secs Computing kpt #: 96 total cpu time spent up to now is 206.2 secs Computing kpt #: 97 total cpu time spent up to now is 208.2 secs Computing kpt #: 98 total cpu time spent up to now is 210.2 secs Computing kpt #: 99 total cpu time spent up to now is 212.2 secs Computing kpt #: 100 total cpu time spent up to now is 214.1 secs Computing kpt #: 101 total cpu time spent up to now is 216.1 secs Computing kpt #: 102 total cpu time spent up to now is 218.2 secs Computing kpt #: 103 total cpu time spent up to now is 220.2 secs Computing kpt #: 104 total cpu time spent up to now is 222.2 secs Computing kpt #: 105 total cpu time spent up to now is 224.2 secs Computing kpt #: 106 total cpu time spent up to now is 226.3 secs Computing kpt #: 107 total cpu time spent up to now is 228.3 secs Computing kpt #: 108 total cpu time spent up to now is 230.4 secs Computing kpt #: 109 total cpu time spent up to now is 232.5 secs Computing kpt #: 110 total cpu time spent up to now is 234.6 secs Computing kpt #: 111 total cpu time spent up to now is 236.7 secs Computing kpt #: 112 total cpu time spent up to now is 238.8 secs Computing kpt #: 113 total cpu time spent up to now is 240.9 secs Computing kpt #: 114 total cpu time spent up to now is 243.0 secs Computing kpt #: 115 total cpu time spent up to now is 245.2 secs Computing kpt #: 116 total cpu time spent up to now is 247.3 secs Computing kpt #: 117 total cpu time spent up to now is 249.5 secs Computing kpt #: 118 total cpu time spent up to now is 251.6 secs Computing kpt #: 119 total cpu time spent up to now is 253.8 secs Computing kpt #: 120 total cpu time spent up to now is 256.0 secs Computing kpt #: 121 total cpu time spent up to now is 258.2 secs Computing kpt #: 122 total cpu time spent up to now is 260.4 secs Computing kpt #: 123 total cpu time spent up to now is 262.7 secs Computing kpt #: 124 total cpu time spent up to now is 264.9 secs Computing kpt #: 125 total cpu time spent up to now is 267.1 secs Computing kpt #: 126 total cpu time spent up to now is 269.6 secs Computing kpt #: 127 total cpu time spent up to now is 272.1 secs Computing kpt #: 128 total cpu time spent up to now is 274.7 secs Computing kpt #: 129 total cpu time spent up to now is 277.3 secs Computing kpt #: 130 total cpu time spent up to now is 279.9 secs Computing kpt #: 131 total cpu time spent up to now is 282.5 secs Computing kpt #: 132 total cpu time spent up to now is 285.0 secs Computing kpt #: 133 total cpu time spent up to now is 287.4 secs Computing kpt #: 134 total cpu time spent up to now is 289.6 secs Computing kpt #: 135 total cpu time spent up to now is 291.9 secs Computing kpt #: 136 total cpu time spent up to now is 294.1 secs Computing kpt #: 137 total cpu time spent up to now is 296.3 secs Computing kpt #: 138 total cpu time spent up to now is 298.6 secs Computing kpt #: 139 total cpu time spent up to now is 300.8 secs Computing kpt #: 140 total cpu time spent up to now is 303.0 secs Computing kpt #: 141 total cpu time spent up to now is 305.3 secs Computing kpt #: 142 total cpu time spent up to now is 307.5 secs Computing kpt #: 143 total cpu time spent up to now is 309.7 secs Computing kpt #: 144 total cpu time spent up to now is 311.9 secs Computing kpt #: 145 total cpu time spent up to now is 314.1 secs Computing kpt #: 146 total cpu time spent up to now is 316.3 secs Computing kpt #: 147 total cpu time spent up to now is 318.5 secs Computing kpt #: 148 total cpu time spent up to now is 320.7 secs Computing kpt #: 149 total cpu time spent up to now is 322.9 secs Computing kpt #: 150 total cpu time spent up to now is 325.1 secs Computing kpt #: 151 total cpu time spent up to now is 327.2 secs Computing kpt #: 152 total cpu time spent up to now is 329.5 secs Computing kpt #: 153 total cpu time spent up to now is 332.0 secs Computing kpt #: 154 total cpu time spent up to now is 334.5 secs Computing kpt #: 155 total cpu time spent up to now is 337.0 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 340.8 secs Computing kpt #: 157 total cpu time spent up to now is 343.8 secs Computing kpt #: 158 total cpu time spent up to now is 346.4 secs Computing kpt #: 159 total cpu time spent up to now is 348.7 secs Computing kpt #: 160 total cpu time spent up to now is 351.2 secs Computing kpt #: 161 total cpu time spent up to now is 353.7 secs Computing kpt #: 162 total cpu time spent up to now is 356.0 secs Computing kpt #: 163 total cpu time spent up to now is 358.2 secs Computing kpt #: 164 total cpu time spent up to now is 360.4 secs Computing kpt #: 165 total cpu time spent up to now is 362.6 secs Computing kpt #: 166 total cpu time spent up to now is 364.9 secs Computing kpt #: 167 total cpu time spent up to now is 367.3 secs Computing kpt #: 168 total cpu time spent up to now is 369.8 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 373.6 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 377.6 secs Computing kpt #: 171 total cpu time spent up to now is 380.8 secs Computing kpt #: 172 total cpu time spent up to now is 383.4 secs Computing kpt #: 173 total cpu time spent up to now is 385.7 secs Computing kpt #: 174 total cpu time spent up to now is 387.9 secs Computing kpt #: 175 total cpu time spent up to now is 390.1 secs Computing kpt #: 176 total cpu time spent up to now is 392.3 secs Computing kpt #: 177 total cpu time spent up to now is 394.6 secs Computing kpt #: 178 total cpu time spent up to now is 396.8 secs Computing kpt #: 179 total cpu time spent up to now is 399.3 secs Computing kpt #: 180 total cpu time spent up to now is 401.7 secs Computing kpt #: 181 total cpu time spent up to now is 404.1 secs Computing kpt #: 182 total cpu time spent up to now is 406.9 secs Computing kpt #: 183 total cpu time spent up to now is 409.4 secs Computing kpt #: 184 total cpu time spent up to now is 412.3 secs Computing kpt #: 185 total cpu time spent up to now is 415.2 secs Computing kpt #: 186 total cpu time spent up to now is 417.5 secs Computing kpt #: 187 total cpu time spent up to now is 419.9 secs Computing kpt #: 188 total cpu time spent up to now is 422.3 secs Computing kpt #: 189 total cpu time spent up to now is 424.3 secs Computing kpt #: 190 total cpu time spent up to now is 426.3 secs Computing kpt #: 191 total cpu time spent up to now is 428.3 secs Computing kpt #: 192 total cpu time spent up to now is 430.3 secs Computing kpt #: 193 total cpu time spent up to now is 432.2 secs Computing kpt #: 194 total cpu time spent up to now is 434.1 secs Computing kpt #: 195 total cpu time spent up to now is 436.0 secs Computing kpt #: 196 total cpu time spent up to now is 437.9 secs Computing kpt #: 197 total cpu time spent up to now is 439.7 secs Computing kpt #: 198 total cpu time spent up to now is 441.6 secs Computing kpt #: 199 total cpu time spent up to now is 443.5 secs Computing kpt #: 200 total cpu time spent up to now is 445.3 secs Computing kpt #: 201 total cpu time spent up to now is 447.2 secs Computing kpt #: 202 total cpu time spent up to now is 449.0 secs Computing kpt #: 203 total cpu time spent up to now is 450.9 secs Computing kpt #: 204 total cpu time spent up to now is 452.8 secs Computing kpt #: 205 total cpu time spent up to now is 454.6 secs Computing kpt #: 206 total cpu time spent up to now is 456.5 secs Computing kpt #: 207 total cpu time spent up to now is 458.4 secs Computing kpt #: 208 total cpu time spent up to now is 460.2 secs Computing kpt #: 209 total cpu time spent up to now is 462.1 secs Computing kpt #: 210 total cpu time spent up to now is 464.0 secs Computing kpt #: 211 total cpu time spent up to now is 465.8 secs Computing kpt #: 212 total cpu time spent up to now is 467.8 secs Computing kpt #: 213 total cpu time spent up to now is 469.7 secs Computing kpt #: 214 total cpu time spent up to now is 471.6 secs Computing kpt #: 215 total cpu time spent up to now is 473.7 secs Computing kpt #: 216 total cpu time spent up to now is 475.8 secs Computing kpt #: 217 total cpu time spent up to now is 478.2 secs Computing kpt #: 218 total cpu time spent up to now is 480.6 secs Computing kpt #: 219 total cpu time spent up to now is 482.9 secs Computing kpt #: 220 total cpu time spent up to now is 485.8 secs Computing kpt #: 221 total cpu time spent up to now is 487.7 secs Computing kpt #: 222 total cpu time spent up to now is 489.7 secs Computing kpt #: 223 total cpu time spent up to now is 491.6 secs Computing kpt #: 224 total cpu time spent up to now is 493.5 secs Computing kpt #: 225 total cpu time spent up to now is 495.4 secs Computing kpt #: 226 total cpu time spent up to now is 497.4 secs Computing kpt #: 227 total cpu time spent up to now is 499.3 secs Computing kpt #: 228 total cpu time spent up to now is 501.3 secs Computing kpt #: 229 total cpu time spent up to now is 503.2 secs Computing kpt #: 230 total cpu time spent up to now is 505.2 secs Computing kpt #: 231 total cpu time spent up to now is 507.3 secs Computing kpt #: 232 total cpu time spent up to now is 509.3 secs Computing kpt #: 233 total cpu time spent up to now is 511.2 secs Computing kpt #: 234 total cpu time spent up to now is 513.2 secs Computing kpt #: 235 total cpu time spent up to now is 515.1 secs Computing kpt #: 236 total cpu time spent up to now is 517.0 secs Computing kpt #: 237 total cpu time spent up to now is 519.0 secs Computing kpt #: 238 total cpu time spent up to now is 520.9 secs Computing kpt #: 239 total cpu time spent up to now is 522.7 secs Computing kpt #: 240 total cpu time spent up to now is 524.7 secs Computing kpt #: 241 total cpu time spent up to now is 526.6 secs Computing kpt #: 242 total cpu time spent up to now is 528.5 secs Computing kpt #: 243 total cpu time spent up to now is 530.4 secs Computing kpt #: 244 total cpu time spent up to now is 532.7 secs Computing kpt #: 245 total cpu time spent up to now is 534.8 secs Computing kpt #: 246 total cpu time spent up to now is 537.0 secs Computing kpt #: 247 total cpu time spent up to now is 539.2 secs Computing kpt #: 248 total cpu time spent up to now is 541.4 secs Computing kpt #: 249 total cpu time spent up to now is 543.8 secs Computing kpt #: 250 total cpu time spent up to now is 546.1 secs Computing kpt #: 251 total cpu time spent up to now is 548.5 secs Computing kpt #: 252 total cpu time spent up to now is 551.0 secs Computing kpt #: 253 total cpu time spent up to now is 553.4 secs Computing kpt #: 254 total cpu time spent up to now is 556.1 secs Computing kpt #: 255 total cpu time spent up to now is 559.3 secs Computing kpt #: 256 total cpu time spent up to now is 563.0 secs Computing kpt #: 257 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 566.6 secs Computing kpt #: 258 total cpu time spent up to now is 569.1 secs Computing kpt #: 259 total cpu time spent up to now is 571.6 secs Computing kpt #: 260 total cpu time spent up to now is 574.0 secs Computing kpt #: 261 total cpu time spent up to now is 576.3 secs Computing kpt #: 262 total cpu time spent up to now is 578.7 secs Computing kpt #: 263 total cpu time spent up to now is 580.9 secs Computing kpt #: 264 total cpu time spent up to now is 583.0 secs Computing kpt #: 265 total cpu time spent up to now is 585.3 secs Computing kpt #: 266 total cpu time spent up to now is 587.5 secs Computing kpt #: 267 total cpu time spent up to now is 589.8 secs Computing kpt #: 268 total cpu time spent up to now is 592.0 secs Computing kpt #: 269 total cpu time spent up to now is 594.3 secs Computing kpt #: 270 total cpu time spent up to now is 596.8 secs Computing kpt #: 271 total cpu time spent up to now is 599.3 secs Computing kpt #: 272 total cpu time spent up to now is 601.8 secs Computing kpt #: 273 total cpu time spent up to now is 604.8 secs Computing kpt #: 274 total cpu time spent up to now is 607.4 secs Computing kpt #: 275 total cpu time spent up to now is 609.8 secs Computing kpt #: 276 total cpu time spent up to now is 612.3 secs Computing kpt #: 277 total cpu time spent up to now is 614.6 secs Computing kpt #: 278 total cpu time spent up to now is 617.1 secs Computing kpt #: 279 total cpu time spent up to now is 619.6 secs Computing kpt #: 280 total cpu time spent up to now is 622.2 secs Computing kpt #: 281 total cpu time spent up to now is 624.7 secs Computing kpt #: 282 total cpu time spent up to now is 627.3 secs Computing kpt #: 283 total cpu time spent up to now is 629.9 secs Computing kpt #: 284 total cpu time spent up to now is 632.8 secs Computing kpt #: 285 total cpu time spent up to now is 635.5 secs Computing kpt #: 286 total cpu time spent up to now is 638.1 secs Computing kpt #: 287 total cpu time spent up to now is 640.5 secs Computing kpt #: 288 total cpu time spent up to now is 642.4 secs Computing kpt #: 289 total cpu time spent up to now is 644.3 secs Computing kpt #: 290 total cpu time spent up to now is 646.1 secs Computing kpt #: 291 total cpu time spent up to now is 648.0 secs Computing kpt #: 292 total cpu time spent up to now is 649.9 secs Computing kpt #: 293 total cpu time spent up to now is 651.8 secs Computing kpt #: 294 total cpu time spent up to now is 653.7 secs Computing kpt #: 295 total cpu time spent up to now is 655.5 secs Computing kpt #: 296 total cpu time spent up to now is 657.4 secs Computing kpt #: 297 total cpu time spent up to now is 659.3 secs Computing kpt #: 298 total cpu time spent up to now is 661.2 secs Computing kpt #: 299 total cpu time spent up to now is 663.0 secs ethr = 2.78E-08, avg # of iterations = 37.3 total cpu time spent up to now is 663.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4685 PWs) bands (ev): -33.5391 -33.5391 -33.5390 -33.5390 -14.8206 -14.8206 -14.8143 -14.8143 -14.4677 -14.4677 -14.4601 -14.4601 -14.3949 -14.3949 -14.3948 -14.3948 -3.4417 -3.4417 -3.0317 -3.0317 1.3108 1.3108 3.1536 3.1536 5.0185 5.0185 6.6537 6.6537 6.6791 6.6791 7.0313 7.0313 7.0612 7.0612 8.4890 8.4890 8.7555 8.7555 8.7663 8.7663 8.7689 8.7689 9.4466 9.4466 k = 0.0106-0.0270-0.0160 ( 4683 PWs) bands (ev): -33.5391 -33.5391 -33.5390 -33.5390 -14.8207 -14.8207 -14.8143 -14.8143 -14.4678 -14.4678 -14.4602 -14.4602 -14.3950 -14.3950 -14.3949 -14.3949 -3.4403 -3.4403 -3.0305 -3.0305 1.3121 1.3121 3.1533 3.1533 5.0202 5.0202 6.6462 6.6462 6.6730 6.6730 7.0192 7.0192 7.0518 7.0518 8.4962 8.4962 8.6815 8.6815 8.7631 8.7631 8.8469 8.8469 9.4591 9.4591 k = 0.0213-0.0540-0.0319 ( 4683 PWs) bands (ev): -33.5391 -33.5391 -33.5389 -33.5389 -14.8208 -14.8208 -14.8144 -14.8144 -14.4679 -14.4679 -14.4603 -14.4603 -14.3953 -14.3953 -14.3952 -14.3952 -3.4362 -3.4362 -3.0269 -3.0269 1.3162 1.3162 3.1523 3.1523 5.0250 5.0250 6.6186 6.6186 6.6607 6.6607 6.9742 6.9742 7.0341 7.0341 8.5155 8.5155 8.5988 8.5988 8.7696 8.7696 8.9259 8.9259 9.4934 9.4934 k = 0.0319-0.0810-0.0479 ( 4683 PWs) bands (ev): -33.5390 -33.5390 -33.5389 -33.5389 -14.8209 -14.8209 -14.8146 -14.8146 -14.4680 -14.4680 -14.4604 -14.4604 -14.3958 -14.3958 -14.3957 -14.3957 -3.4293 -3.4293 -3.0209 -3.0209 1.3231 1.3231 3.1505 3.1505 5.0330 5.0330 6.5683 6.5683 6.6464 6.6464 6.8966 6.8966 7.0126 7.0126 8.5052 8.5052 8.5554 8.5554 8.7803 8.7803 9.0008 9.0008 9.5345 9.5345 k = 0.0426-0.1080-0.0639 ( 4690 PWs) bands (ev): -33.5389 -33.5389 -33.5388 -33.5388 -14.8211 -14.8211 -14.8149 -14.8149 -14.4682 -14.4682 -14.4606 -14.4606 -14.3964 -14.3964 -14.3964 -14.3964 -3.4196 -3.4196 -3.0126 -3.0126 1.3326 1.3326 3.1480 3.1480 5.0441 5.0441 6.4993 6.4993 6.6288 6.6288 6.7942 6.7942 6.9853 6.9853 8.4232 8.4232 8.5895 8.5895 8.7949 8.7949 9.0700 9.0700 9.5540 9.5540 k = 0.0532-0.1351-0.0798 ( 4692 PWs) bands (ev): -33.5388 -33.5388 -33.5387 -33.5387 -14.8214 -14.8214 -14.8152 -14.8152 -14.4685 -14.4685 -14.4609 -14.4609 -14.3973 -14.3973 -14.3972 -14.3972 -3.4073 -3.4073 -3.0018 -3.0018 1.3447 1.3447 3.1446 3.1446 5.0583 5.0583 6.4154 6.4154 6.6074 6.6074 6.6735 6.6735 6.9522 6.9522 8.3373 8.3373 8.6299 8.6299 8.8131 8.8131 9.1314 9.1314 9.5504 9.5504 k = 0.0638-0.1621-0.0958 ( 4698 PWs) bands (ev): -33.5387 -33.5387 -33.5386 -33.5386 -14.8217 -14.8217 -14.8156 -14.8156 -14.4688 -14.4688 -14.4613 -14.4613 -14.3983 -14.3983 -14.3983 -14.3983 -3.3922 -3.3922 -2.9887 -2.9887 1.3595 1.3595 3.1403 3.1403 5.0755 5.0755 6.3194 6.3194 6.5391 6.5391 6.5821 6.5821 6.9138 6.9138 8.2504 8.2504 8.6707 8.6707 8.8345 8.8345 9.1827 9.1827 9.5390 9.5390 k = 0.0745-0.1891-0.1118 ( 4702 PWs) bands (ev): -33.5386 -33.5386 -33.5384 -33.5384 -14.8221 -14.8221 -14.8161 -14.8161 -14.4692 -14.4692 -14.4617 -14.4617 -14.3996 -14.3996 -14.3995 -14.3995 -3.3743 -3.3743 -2.9732 -2.9732 1.3768 1.3768 3.1349 3.1349 5.0955 5.0955 6.2138 6.2138 6.3951 6.3951 6.5532 6.5532 6.8707 6.8707 8.1631 8.1631 8.7092 8.7092 8.8589 8.8589 9.2202 9.2202 9.5288 9.5288 k = 0.0851-0.2161-0.1278 ( 4702 PWs) bands (ev): -33.5384 -33.5384 -33.5382 -33.5382 -14.8225 -14.8225 -14.8166 -14.8166 -14.4696 -14.4696 -14.4621 -14.4621 -14.4009 -14.4009 -14.4008 -14.4008 -3.3538 -3.3538 -2.9554 -2.9554 1.3965 1.3965 3.1282 3.1282 5.1183 5.1183 6.1006 6.1006 6.2445 6.2445 6.5210 6.5210 6.8238 6.8238 8.0754 8.0754 8.7437 8.7437 8.8858 8.8858 9.2397 9.2397 9.5260 9.5260 k = 0.0957-0.2431-0.1437 ( 4702 PWs) bands (ev): -33.5382 -33.5382 -33.5380 -33.5380 -14.8231 -14.8231 -14.8172 -14.8172 -14.4701 -14.4701 -14.4626 -14.4626 -14.4024 -14.4024 -14.4023 -14.4023 -3.3305 -3.3305 -2.9351 -2.9351 1.4187 1.4187 3.1201 3.1201 5.1437 5.1437 5.9811 5.9811 6.0903 6.0903 6.4859 6.4859 6.7738 6.7738 7.9876 7.9876 8.7729 8.7729 8.9148 8.9148 9.2392 9.2392 9.5334 9.5334 k = 0.1064-0.2701-0.1597 ( 4704 PWs) bands (ev): -33.5379 -33.5379 -33.5378 -33.5378 -14.8236 -14.8236 -14.8179 -14.8179 -14.4706 -14.4706 -14.4632 -14.4632 -14.4040 -14.4040 -14.4039 -14.4039 -3.3046 -3.3046 -2.9125 -2.9125 1.4431 1.4431 3.1103 3.1103 5.1714 5.1714 5.8551 5.8551 5.9361 5.9361 6.4482 6.4482 6.7214 6.7214 7.8997 7.8997 8.7957 8.7957 8.9458 8.9458 9.2219 9.2219 9.5489 9.5489 k = 0.1170-0.2971-0.1757 ( 4709 PWs) bands (ev): -33.5377 -33.5377 -33.5376 -33.5376 -14.8243 -14.8243 -14.8186 -14.8186 -14.4712 -14.4712 -14.4639 -14.4639 -14.4058 -14.4058 -14.4057 -14.4057 -3.2760 -3.2760 -2.8876 -2.8876 1.4696 1.4696 3.0985 3.0985 5.2010 5.2010 5.7195 5.7195 5.7879 5.7879 6.4083 6.4083 6.6671 6.6671 7.8120 7.8120 8.8109 8.8109 8.9784 8.9784 9.1936 9.1936 9.5676 9.5676 k = 0.1277-0.3241-0.1916 ( 4708 PWs) bands (ev): -33.5374 -33.5374 -33.5373 -33.5373 -14.8249 -14.8249 -14.8194 -14.8194 -14.4719 -14.4719 -14.4647 -14.4647 -14.4076 -14.4076 -14.4075 -14.4075 -3.2447 -3.2447 -2.8602 -2.8602 1.4981 1.4981 3.0842 3.0842 5.2318 5.2318 5.5716 5.5716 5.6517 5.6517 6.3665 6.3665 6.6116 6.6116 7.7245 7.7245 8.8175 8.8175 9.0122 9.0122 9.1598 9.1598 9.5855 9.5855 k = 0.1383-0.3511-0.2076 ( 4708 PWs) bands (ev): -33.5372 -33.5372 -33.5370 -33.5370 -14.8257 -14.8257 -14.8203 -14.8203 -14.4726 -14.4726 -14.4655 -14.4655 -14.4095 -14.4095 -14.4094 -14.4094 -3.2108 -3.2108 -2.8305 -2.8305 1.5284 1.5284 3.0671 3.0671 5.2605 5.2605 5.4178 5.4178 5.5262 5.5262 6.3232 6.3232 6.5554 6.5554 7.6374 7.6374 8.8144 8.8144 9.0471 9.0471 9.1245 9.1245 9.6002 9.6002 k = 0.1489-0.3782-0.2236 ( 4712 PWs) bands (ev): -33.5369 -33.5369 -33.5367 -33.5367 -14.8265 -14.8265 -14.8213 -14.8213 -14.4734 -14.4734 -14.4663 -14.4663 -14.4115 -14.4115 -14.4114 -14.4114 -3.1743 -3.1743 -2.7985 -2.7985 1.5603 1.5603 3.0466 3.0466 5.2329 5.2329 5.3119 5.3119 5.4135 5.4135 6.2786 6.2786 6.4987 6.4987 7.5508 7.5508 8.8008 8.8008 9.0811 9.0811 9.0922 9.0922 9.6098 9.6098 k = 0.1596-0.4052-0.2395 ( 4710 PWs) bands (ev): -33.5366 -33.5366 -33.5364 -33.5364 -14.8274 -14.8274 -14.8223 -14.8223 -14.4742 -14.4742 -14.4673 -14.4673 -14.4136 -14.4136 -14.4134 -14.4134 -3.1351 -3.1351 -2.7641 -2.7641 1.5935 1.5935 3.0222 3.0222 5.0838 5.0838 5.2641 5.2641 5.3702 5.3702 6.2330 6.2330 6.4422 6.4422 7.4648 7.4648 8.7766 8.7766 9.0584 9.0584 9.1198 9.1198 9.6125 9.6125 k = 0.1702-0.4322-0.2555 ( 4719 PWs) bands (ev): -33.5363 -33.5363 -33.5361 -33.5361 -14.8283 -14.8283 -14.8234 -14.8234 -14.4752 -14.4752 -14.4684 -14.4684 -14.4157 -14.4157 -14.4155 -14.4155 -3.0934 -3.0934 -2.7274 -2.7274 1.6277 1.6277 2.9931 2.9931 4.9255 4.9255 5.1618 5.1618 5.3983 5.3983 6.1868 6.1868 6.3859 6.3859 7.3793 7.3793 8.7430 8.7430 9.0299 9.0299 9.1565 9.1565 9.6053 9.6053 k = 0.1809-0.4592-0.2715 ( 4721 PWs) bands (ev): -33.5359 -33.5359 -33.5358 -33.5358 -14.8293 -14.8293 -14.8245 -14.8245 -14.4761 -14.4761 -14.4695 -14.4695 -14.4178 -14.4178 -14.4176 -14.4176 -3.0492 -3.0492 -2.6883 -2.6883 1.6624 1.6624 2.9588 2.9588 4.7679 4.7679 5.0580 5.0580 5.4362 5.4362 6.1401 6.1401 6.3303 6.3303 7.2946 7.2946 8.7019 8.7019 9.0030 9.0030 9.1935 9.1935 9.5829 9.5829 k = 0.1915-0.4862-0.2875 ( 4726 PWs) bands (ev): -33.5356 -33.5356 -33.5355 -33.5355 -14.8303 -14.8303 -14.8257 -14.8257 -14.4772 -14.4772 -14.4707 -14.4707 -14.4199 -14.4199 -14.4197 -14.4197 -3.0024 -3.0024 -2.6470 -2.6470 1.6973 1.6973 2.9186 2.9186 4.6129 4.6129 4.9596 4.9596 5.4766 5.4766 6.0932 6.0932 6.2754 6.2754 7.2107 7.2107 8.6556 8.6556 8.9768 8.9768 9.2305 9.2305 9.5393 9.5393 k = 0.2021-0.5132-0.3034 ( 4724 PWs) bands (ev): -33.5352 -33.5352 -33.5351 -33.5351 -14.8314 -14.8314 -14.8270 -14.8270 -14.4783 -14.4783 -14.4720 -14.4720 -14.4219 -14.4219 -14.4217 -14.4217 -2.9532 -2.9532 -2.6034 -2.6034 1.7317 1.7317 2.8718 2.8718 4.4614 4.4614 4.8684 4.8684 5.5181 5.5181 6.0463 6.0463 6.2217 6.2217 7.1277 7.1277 8.6061 8.6061 8.9503 8.9503 9.2674 9.2674 9.4739 9.4739 k = 0.2128-0.5402-0.3194 ( 4727 PWs) bands (ev): -33.5349 -33.5349 -33.5347 -33.5347 -14.8325 -14.8325 -14.8283 -14.8283 -14.4795 -14.4795 -14.4733 -14.4733 -14.4240 -14.4240 -14.4237 -14.4237 -2.9015 -2.9015 -2.5575 -2.5575 1.7649 1.7649 2.8179 2.8179 4.3144 4.3144 4.7854 4.7854 5.5602 5.5602 5.9997 5.9997 6.1691 6.1691 7.0455 7.0455 8.5549 8.5549 8.9231 8.9231 9.3039 9.3039 9.3926 9.3926 k = 0.2234-0.5672-0.3354 ( 4724 PWs) bands (ev): -33.5345 -33.5345 -33.5344 -33.5344 -14.8337 -14.8337 -14.8296 -14.8296 -14.4807 -14.4807 -14.4748 -14.4748 -14.4260 -14.4260 -14.4257 -14.4257 -2.8474 -2.8474 -2.5094 -2.5094 1.7959 1.7959 2.7566 2.7566 4.1730 4.1730 4.7111 4.7111 5.6023 5.6023 5.9534 5.9534 6.1178 6.1178 6.9643 6.9643 8.5031 8.5031 8.8950 8.8950 9.3014 9.3014 9.3406 9.3406 k = 0.2340-0.5943-0.3513 ( 4724 PWs) bands (ev): -33.5341 -33.5341 -33.5340 -33.5340 -14.8349 -14.8349 -14.8310 -14.8310 -14.4820 -14.4820 -14.4763 -14.4763 -14.4279 -14.4279 -14.4275 -14.4275 -2.7910 -2.7910 -2.4591 -2.4591 1.8236 1.8236 2.6878 2.6878 4.0382 4.0382 4.6461 4.6461 5.6439 5.6439 5.9078 5.9078 6.0680 6.0680 6.8840 6.8840 8.4517 8.4517 8.8660 8.8660 9.2067 9.2067 9.3758 9.3758 k = 0.2447-0.6213-0.3673 ( 4722 PWs) bands (ev): -33.5338 -33.5338 -33.5336 -33.5336 -14.8362 -14.8362 -14.8325 -14.8325 -14.4834 -14.4834 -14.4779 -14.4779 -14.4298 -14.4298 -14.4293 -14.4293 -2.7322 -2.7322 -2.4066 -2.4066 1.8466 1.8466 2.6117 2.6117 3.9117 3.9117 4.5904 4.5904 5.6846 5.6846 5.8630 5.8630 6.0197 6.0197 6.8049 6.8049 8.4013 8.4013 8.8361 8.8361 9.1098 9.1098 9.4105 9.4105 k = 0.2553-0.6483-0.3833 ( 4726 PWs) bands (ev): -33.5334 -33.5334 -33.5333 -33.5333 -14.8375 -14.8375 -14.8339 -14.8339 -14.4848 -14.4848 -14.4796 -14.4796 -14.4316 -14.4316 -14.4310 -14.4310 -2.6712 -2.6712 -2.3519 -2.3519 1.8631 1.8631 2.5287 2.5287 3.7950 3.7950 4.5436 4.5436 5.7239 5.7239 5.8193 5.8193 5.9730 5.9730 6.7268 6.7268 8.3525 8.3525 8.8055 8.8055 9.0129 9.0129 9.4443 9.4443 k = 0.2660-0.6753-0.3992 ( 4724 PWs) bands (ev): -33.5330 -33.5330 -33.5329 -33.5329 -14.8388 -14.8388 -14.8354 -14.8354 -14.4863 -14.4863 -14.4813 -14.4813 -14.4332 -14.4332 -14.4326 -14.4326 -2.6080 -2.6080 -2.2952 -2.2952 1.8712 1.8712 2.4395 2.4395 3.6901 3.6901 4.5054 4.5054 5.7590 5.7590 5.7791 5.7791 5.9280 5.9280 6.6499 6.6499 8.3057 8.3057 8.7740 8.7740 8.9174 8.9174 9.4770 9.4770 k = 0.2766-0.7023-0.4152 ( 4720 PWs) bands (ev): -33.5327 -33.5327 -33.5325 -33.5325 -14.8401 -14.8401 -14.8369 -14.8369 -14.4878 -14.4878 -14.4830 -14.4830 -14.4348 -14.4348 -14.4341 -14.4341 -2.5427 -2.5427 -2.2364 -2.2364 1.8687 1.8687 2.3450 2.3450 3.5991 3.5991 4.4752 4.4752 5.7333 5.7333 5.7985 5.7985 5.8847 5.8847 6.5743 6.5743 8.2611 8.2611 8.7403 8.7403 8.8256 8.8256 9.5086 9.5086 k = 0.2872-0.7293-0.4312 ( 4729 PWs) bands (ev): -33.5323 -33.5323 -33.5322 -33.5322 -14.8415 -14.8415 -14.8384 -14.8384 -14.4894 -14.4894 -14.4848 -14.4848 -14.4363 -14.4363 -14.4355 -14.4355 -2.4753 -2.4753 -2.1756 -2.1756 1.8534 1.8534 2.2463 2.2463 3.5238 3.5238 4.4521 4.4521 5.6934 5.6934 5.8301 5.8301 5.8440 5.8440 6.5000 6.5000 8.2191 8.2191 8.6966 8.6966 8.7460 8.7460 9.5310 9.5311 k = 0.2979-0.7563-0.4472 ( 4730 PWs) bands (ev): -33.5319 -33.5319 -33.5318 -33.5318 -14.8428 -14.8428 -14.8400 -14.8400 -14.4909 -14.4909 -14.4866 -14.4866 -14.4377 -14.4377 -14.4368 -14.4368 -2.4059 -2.4059 -2.1130 -2.1130 1.8235 1.8235 2.1444 2.1444 3.4658 3.4658 4.4353 4.4353 5.6546 5.6546 5.8031 5.8031 5.8610 5.8610 6.4273 6.4273 8.1798 8.1798 8.6250 8.6250 8.6974 8.6974 9.4984 9.4984 k = 0.3085-0.7833-0.4631 ( 4730 PWs) bands (ev): -33.5316 -33.5316 -33.5315 -33.5315 -14.8442 -14.8442 -14.8415 -14.8415 -14.4925 -14.4925 -14.4884 -14.4884 -14.4390 -14.4390 -14.4380 -14.4380 -2.3346 -2.3346 -2.0486 -2.0486 1.7780 1.7780 2.0405 2.0405 3.4259 3.4259 4.4239 4.4239 5.6172 5.6172 5.7653 5.7653 5.8869 5.8869 6.3563 6.3563 8.1432 8.1432 8.5425 8.5425 8.6635 8.6635 9.4666 9.4667 k = 0.3191-0.8103-0.4791 ( 4738 PWs) bands (ev): -33.5312 -33.5312 -33.5311 -33.5311 -14.8456 -14.8456 -14.8430 -14.8430 -14.4941 -14.4941 -14.4903 -14.4903 -14.4402 -14.4402 -14.4391 -14.4391 -2.2616 -2.2616 -1.9824 -1.9824 1.7169 1.7169 1.9356 1.9356 3.4039 3.4039 4.4171 4.4171 5.5815 5.5815 5.7293 5.7293 5.9088 5.9088 6.2873 6.2873 8.1092 8.1092 8.4612 8.4612 8.6327 8.6327 9.4366 9.4366 k = 0.3298-0.8374-0.4951 ( 4737 PWs) bands (ev): -33.5309 -33.5309 -33.5308 -33.5308 -14.8469 -14.8469 -14.8445 -14.8445 -14.4956 -14.4956 -14.4920 -14.4920 -14.4412 -14.4412 -14.4401 -14.4401 -2.1869 -2.1869 -1.9148 -1.9148 1.6415 1.6415 1.8305 1.8305 3.3985 3.3985 4.4141 4.4141 5.5474 5.5474 5.6952 5.6952 5.9259 5.9259 6.2208 6.2208 8.0777 8.0777 8.3836 8.3836 8.6032 8.6032 9.4085 9.4085 k = 0.3404-0.8644-0.5110 ( 4743 PWs) bands (ev): -33.5306 -33.5306 -33.5305 -33.5305 -14.8482 -14.8482 -14.8459 -14.8459 -14.4972 -14.4972 -14.4938 -14.4938 -14.4422 -14.4422 -14.4410 -14.4410 -2.1108 -2.1108 -1.8457 -1.8457 1.5543 1.5543 1.7253 1.7253 3.4078 3.4078 4.4138 4.4138 5.5151 5.5151 5.6631 5.6631 5.9374 5.9374 6.1576 6.1576 8.0482 8.0482 8.3111 8.3111 8.5747 8.5747 9.3827 9.3827 k = 0.3511-0.8914-0.5270 ( 4735 PWs) bands (ev): -33.5303 -33.5303 -33.5302 -33.5302 -14.8495 -14.8495 -14.8473 -14.8473 -14.4987 -14.4987 -14.4954 -14.4954 -14.4431 -14.4431 -14.4418 -14.4418 -2.0333 -2.0333 -1.7755 -1.7755 1.4582 1.4582 1.6200 1.6200 3.4297 3.4297 4.4156 4.4156 5.4847 5.4847 5.6329 5.6329 5.9416 5.9416 6.0997 6.0997 8.0198 8.0198 8.2447 8.2447 8.5470 8.5470 9.3594 9.3594 k = 0.3617-0.9184-0.5430 ( 4734 PWs) bands (ev): -33.5300 -33.5300 -33.5299 -33.5299 -14.8507 -14.8507 -14.8487 -14.8487 -14.5001 -14.5001 -14.4971 -14.4971 -14.4439 -14.4439 -14.4425 -14.4425 -1.9548 -1.9548 -1.7043 -1.7043 1.3565 1.3565 1.5145 1.5145 3.4619 3.4619 4.4185 4.4185 5.4561 5.4561 5.6047 5.6047 5.9347 5.9347 6.0511 6.0511 7.9915 7.9915 8.1859 8.1859 8.5202 8.5202 9.3386 9.3386 k = 0.3723-0.9454-0.5589 ( 4733 PWs) bands (ev): -33.5297 -33.5297 -33.5296 -33.5296 -14.8519 -14.8519 -14.8500 -14.8500 -14.5015 -14.5015 -14.4986 -14.4986 -14.4446 -14.4446 -14.4432 -14.4432 -1.8755 -1.8755 -1.6326 -1.6326 1.2516 1.2516 1.4088 1.4088 3.5025 3.5025 4.4217 4.4217 5.4295 5.4295 5.5784 5.5784 5.9114 5.9114 6.0176 6.0176 7.9616 7.9616 8.1361 8.1361 8.4943 8.4943 9.3203 9.3203 k = 0.3830-0.9724-0.5749 ( 4735 PWs) bands (ev): -33.5294 -33.5294 -33.5293 -33.5293 -14.8531 -14.8531 -14.8512 -14.8512 -14.5028 -14.5028 -14.5001 -14.5001 -14.4452 -14.4452 -14.4438 -14.4438 -1.7958 -1.7958 -1.5606 -1.5606 1.1458 1.1458 1.3035 1.3035 3.5497 3.5497 4.4242 4.4242 5.4049 5.4049 5.5542 5.5542 5.8733 5.8733 5.9980 5.9980 7.9292 7.9292 8.0966 8.0966 8.4695 8.4695 9.3045 9.3045 k = 0.3936-0.9994-0.5909 ( 4739 PWs) bands (ev): -33.5292 -33.5292 -33.5291 -33.5291 -14.8541 -14.8541 -14.8524 -14.8524 -14.5040 -14.5040 -14.5015 -14.5015 -14.4458 -14.4458 -14.4444 -14.4444 -1.7160 -1.7160 -1.4889 -1.4889 1.0407 1.0407 1.1994 1.1994 3.6020 3.6020 4.4252 4.4252 5.3823 5.3823 5.5321 5.5321 5.8295 5.8295 5.9843 5.9843 7.8941 7.8941 8.0670 8.0670 8.4459 8.4459 9.2910 9.2910 k = 0.4043-1.0264-0.6069 ( 4741 PWs) bands (ev): -33.5290 -33.5290 -33.5289 -33.5289 -14.8551 -14.8551 -14.8535 -14.8535 -14.5051 -14.5051 -14.5028 -14.5028 -14.4463 -14.4463 -14.4448 -14.4448 -1.6368 -1.6368 -1.4181 -1.4181 0.9377 0.9377 1.0973 1.0973 3.6582 3.6582 4.4237 4.4237 5.3618 5.3618 5.5119 5.5119 5.7859 5.7859 5.9715 5.9715 7.8580 7.8580 8.0458 8.0458 8.4237 8.4237 9.2797 9.2797 k = 0.4149-1.0534-0.6228 ( 4745 PWs) bands (ev): -33.5288 -33.5288 -33.5287 -33.5287 -14.8560 -14.8560 -14.8545 -14.8545 -14.5062 -14.5062 -14.5040 -14.5040 -14.4467 -14.4467 -14.4452 -14.4452 -1.5587 -1.5587 -1.3490 -1.3490 0.8383 0.8383 0.9984 0.9984 3.7171 3.7171 4.4188 4.4188 5.3434 5.3434 5.4939 5.4939 5.7453 5.7453 5.9579 5.9579 7.8226 7.8226 8.0308 8.0308 8.4031 8.4031 9.2702 9.2702 k = 0.4255-1.0805-0.6388 ( 4748 PWs) bands (ev): -33.5286 -33.5286 -33.5285 -33.5285 -14.8568 -14.8568 -14.8554 -14.8554 -14.5071 -14.5071 -14.5050 -14.5050 -14.4471 -14.4471 -14.4456 -14.4456 -1.4827 -1.4827 -1.2826 -1.2826 0.7439 0.7439 0.9038 0.9038 3.7779 3.7779 4.4097 4.4097 5.3271 5.3271 5.4779 5.4779 5.7090 5.7090 5.9433 5.9433 7.7896 7.7896 8.0203 8.0203 8.3842 8.3842 9.2625 9.2625 k = 0.4362-1.1075-0.6548 ( 4745 PWs) bands (ev): -33.5284 -33.5284 -33.5283 -33.5283 -14.8575 -14.8575 -14.8561 -14.8561 -14.5079 -14.5079 -14.5059 -14.5059 -14.4474 -14.4474 -14.4459 -14.4459 -1.4099 -1.4099 -1.2202 -1.2202 0.6560 0.6560 0.8150 0.8150 3.8396 3.8396 4.3957 4.3957 5.3129 5.3129 5.4641 5.4641 5.6777 5.6777 5.9283 5.9283 7.7599 7.7599 8.0129 8.0129 8.3673 8.3673 9.2563 9.2563 k = 0.4468-1.1345-0.6707 ( 4752 PWs) bands (ev): -33.5283 -33.5283 -33.5282 -33.5282 -14.8581 -14.8581 -14.8568 -14.8568 -14.5086 -14.5086 -14.5067 -14.5067 -14.4477 -14.4477 -14.4462 -14.4462 -1.3419 -1.3419 -1.1632 -1.1632 0.5765 0.5765 0.7337 0.7337 3.9015 3.9015 4.3761 4.3761 5.3008 5.3008 5.4523 5.4523 5.6517 5.6517 5.9133 5.9133 7.7343 7.7343 8.0078 8.0078 8.3526 8.3526 9.2514 9.2514 k = 0.4574-1.1615-0.6867 ( 4756 PWs) bands (ev): -33.5282 -33.5282 -33.5281 -33.5281 -14.8587 -14.8587 -14.8574 -14.8574 -14.5092 -14.5092 -14.5074 -14.5074 -14.4479 -14.4479 -14.4464 -14.4464 -1.2803 -1.2803 -1.1134 -1.1134 0.5072 0.5072 0.6620 0.6620 3.9627 3.9627 4.3507 4.3507 5.2910 5.2910 5.4427 5.4427 5.6311 5.6311 5.8993 5.8993 7.7130 7.7130 8.0043 8.0043 8.3403 8.3403 9.2475 9.2475 k = 0.4681-1.1885-0.7027 ( 4752 PWs) bands (ev): -33.5281 -33.5281 -33.5280 -33.5280 -14.8590 -14.8590 -14.8578 -14.8578 -14.5097 -14.5097 -14.5079 -14.5079 -14.4480 -14.4480 -14.4465 -14.4465 -1.2278 -1.2278 -1.0726 -1.0726 0.4504 0.4504 0.6020 0.6020 4.0225 4.0225 4.3194 4.3194 5.2833 5.2833 5.4352 5.4352 5.6158 5.6158 5.8872 5.8872 7.6963 7.6963 8.0020 8.0020 8.3305 8.3305 9.2447 9.2447 k = 0.4787-1.2155-0.7186 ( 4756 PWs) bands (ev): -33.5281 -33.5281 -33.5280 -33.5280 -14.8593 -14.8593 -14.8582 -14.8582 -14.5100 -14.5100 -14.5083 -14.5083 -14.4481 -14.4481 -14.4466 -14.4466 -1.1870 -1.1870 -1.0423 -1.0423 0.4080 0.4080 0.5565 0.5565 4.0799 4.0799 4.2828 4.2828 5.2778 5.2778 5.4298 5.4298 5.6053 5.6053 5.8778 5.8778 7.6843 7.6843 8.0005 8.0005 8.3233 8.3233 9.2428 9.2428 k = 0.4894-1.2425-0.7346 ( 4746 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8595 -14.8595 -14.8583 -14.8583 -14.5102 -14.5102 -14.5085 -14.5085 -14.4482 -14.4482 -14.4467 -14.4467 -1.1608 -1.1608 -1.0239 -1.0239 0.3819 0.3819 0.5279 0.5279 4.1330 4.1330 4.2423 4.2423 5.2745 5.2745 5.4266 5.4266 5.5992 5.5992 5.8718 5.8718 7.6770 7.6770 7.9998 7.9998 8.3190 8.3190 9.2416 9.2416 k = 0.5000-1.2695-0.7506 ( 4748 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8595 -14.8595 -14.8584 -14.8584 -14.5102 -14.5102 -14.5086 -14.5086 -14.4482 -14.4482 -14.4467 -14.4467 -1.1518 -1.1518 -1.0177 -1.0177 0.3730 0.3730 0.5181 0.5181 4.1672 4.1672 4.2123 4.2123 5.2734 5.2734 5.4255 5.4255 5.5972 5.5972 5.8697 5.8697 7.6746 7.6746 7.9995 7.9995 8.3176 8.3176 9.2413 9.2413 k = 0.5000-1.2695-0.7506 ( 4748 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8595 -14.8595 -14.8584 -14.8584 -14.5102 -14.5102 -14.5086 -14.5086 -14.4482 -14.4482 -14.4467 -14.4467 -1.1518 -1.1518 -1.0177 -1.0177 0.3730 0.3730 0.5181 0.5181 4.1672 4.1672 4.2123 4.2123 5.2734 5.2734 5.4255 5.4255 5.5972 5.5972 5.8697 5.8697 7.6746 7.6746 7.9995 7.9995 8.3176 8.3176 9.2413 9.2413 k = 0.5000-1.2531-0.7784 ( 4744 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8595 -14.8595 -14.8584 -14.8584 -14.5102 -14.5102 -14.5085 -14.5085 -14.4483 -14.4483 -14.4468 -14.4468 -1.1505 -1.1505 -1.0164 -1.0164 0.3730 0.3730 0.5181 0.5181 4.1669 4.1669 4.2127 4.2127 5.2630 5.2630 5.4154 5.4154 5.5990 5.5990 5.8692 5.8692 7.6765 7.6765 8.0118 8.0118 8.3290 8.3290 9.2416 9.2416 k = 0.5000-1.2366-0.8062 ( 4742 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8595 -14.8595 -14.8584 -14.8584 -14.5101 -14.5101 -14.5084 -14.5084 -14.4485 -14.4485 -14.4470 -14.4470 -1.1467 -1.1467 -1.0125 -1.0125 0.3731 0.3731 0.5181 0.5181 4.1660 4.1660 4.2138 4.2138 5.2331 5.2331 5.3860 5.3860 5.6036 5.6036 5.8675 5.8675 7.6817 7.6817 8.0479 8.0479 8.3629 8.3629 9.2428 9.2428 k = 0.5000-1.2202-0.8340 ( 4748 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8595 -14.8595 -14.8584 -14.8584 -14.5099 -14.5099 -14.5083 -14.5083 -14.4490 -14.4490 -14.4475 -14.4475 -1.1403 -1.1403 -1.0060 -1.0060 0.3731 0.3731 0.5180 0.5180 4.1640 4.1640 4.2154 4.2154 5.1867 5.1867 5.3393 5.3393 5.6099 5.6099 5.8645 5.8645 7.6894 7.6894 8.1059 8.1059 8.4185 8.4185 9.2448 9.2448 k = 0.5000-1.2038-0.8618 ( 4752 PWs) bands (ev): -33.5279 -33.5279 -33.5278 -33.5278 -14.8595 -14.8595 -14.8584 -14.8584 -14.5097 -14.5097 -14.5081 -14.5081 -14.4495 -14.4495 -14.4481 -14.4481 -1.1313 -1.1313 -0.9970 -0.9970 0.3731 0.3731 0.5178 0.5178 4.1607 4.1607 4.2172 4.2172 5.1277 5.1277 5.2786 5.2786 5.6166 5.6166 5.8600 5.8600 7.6987 7.6987 8.1827 8.1827 8.4944 8.4944 9.2477 9.2477 k = 0.5000-1.1873-0.8897 ( 4754 PWs) bands (ev): -33.5279 -33.5279 -33.5278 -33.5278 -14.8596 -14.8596 -14.8584 -14.8584 -14.5094 -14.5094 -14.5078 -14.5078 -14.4503 -14.4503 -14.4488 -14.4488 -1.1198 -1.1198 -0.9854 -0.9854 0.3729 0.3729 0.5174 0.5174 4.1551 4.1551 4.2185 4.2185 5.0598 5.0598 5.2075 5.2075 5.6233 5.6233 5.8538 5.8538 7.7087 7.7087 8.2749 8.2749 8.5882 8.5882 9.2520 9.2520 k = 0.5000-1.1709-0.9175 ( 4740 PWs) bands (ev): -33.5279 -33.5279 -33.5278 -33.5278 -14.8595 -14.8595 -14.8584 -14.8584 -14.5090 -14.5090 -14.5074 -14.5074 -14.4511 -14.4511 -14.4497 -14.4497 -1.1057 -1.1057 -0.9712 -0.9712 0.3724 0.3724 0.5167 0.5167 4.1463 4.1463 4.2184 4.2184 4.9872 4.9872 5.1299 5.1299 5.6295 5.6295 5.8460 5.8460 7.7189 7.7189 8.3788 8.3788 8.6973 8.6973 9.2579 9.2579 k = 0.5000-1.1544-0.9453 ( 4742 PWs) bands (ev): -33.5278 -33.5278 -33.5277 -33.5277 -14.8595 -14.8595 -14.8584 -14.8584 -14.5086 -14.5086 -14.5071 -14.5071 -14.4522 -14.4522 -14.4507 -14.4507 -1.0891 -1.0891 -0.9544 -0.9544 0.3715 0.3715 0.5155 0.5155 4.1325 4.1325 4.2156 4.2156 4.9137 4.9137 5.0498 5.0498 5.6353 5.6353 5.8364 5.8364 7.7287 7.7287 8.4904 8.4904 8.8186 8.8186 9.2662 9.2662 k = 0.5000-1.1380-0.9731 ( 4740 PWs) bands (ev): -33.5278 -33.5278 -33.5277 -33.5277 -14.8595 -14.8595 -14.8584 -14.8584 -14.5081 -14.5081 -14.5066 -14.5066 -14.4533 -14.4533 -14.4519 -14.4519 -1.0699 -1.0699 -0.9351 -0.9351 0.3700 0.3700 0.5137 0.5137 4.1120 4.1120 4.2083 4.2083 4.8436 4.8436 4.9714 4.9714 5.6405 5.6405 5.8250 5.8250 7.7379 7.7379 8.6054 8.6054 8.9485 8.9485 9.2782 9.2782 k = 0.5000-1.1215-1.0009 ( 4750 PWs) bands (ev): -33.5277 -33.5277 -33.5276 -33.5276 -14.8595 -14.8595 -14.8585 -14.8585 -14.5075 -14.5075 -14.5061 -14.5061 -14.4547 -14.4547 -14.4532 -14.4532 -1.0482 -1.0482 -0.9132 -0.9132 0.3678 0.3678 0.5111 0.5111 4.0825 4.0825 4.1939 4.1939 4.7807 4.7807 4.8991 4.8991 5.6452 5.6452 5.8119 5.8119 7.7461 7.7461 8.7184 8.7184 9.0819 9.0819 9.2958 9.2958 k = 0.5000-1.1051-1.0288 ( 4748 PWs) bands (ev): -33.5276 -33.5276 -33.5275 -33.5275 -14.8595 -14.8595 -14.8585 -14.8585 -14.5069 -14.5069 -14.5055 -14.5055 -14.4561 -14.4561 -14.4546 -14.4546 -1.0240 -1.0240 -0.8887 -0.8887 0.3645 0.3645 0.5074 0.5074 4.0423 4.0423 4.1698 4.1698 4.7286 4.7286 4.8373 4.8373 5.6494 5.6494 5.7969 5.7969 7.7532 7.7532 8.8225 8.8225 9.2117 9.2117 9.3220 9.3220 k = 0.5000-1.0886-1.0566 ( 4740 PWs) bands (ev): -33.5276 -33.5276 -33.5275 -33.5275 -14.8595 -14.8595 -14.8585 -14.8585 -14.5062 -14.5062 -14.5049 -14.5049 -14.4575 -14.4575 -14.4561 -14.4561 -0.9972 -0.9972 -0.8617 -0.8617 0.3600 0.3600 0.5025 0.5025 3.9908 3.9908 4.1338 4.1338 4.6893 4.6893 4.7894 4.7894 5.6529 5.6529 5.7802 5.7802 7.7588 7.7588 8.9091 8.9091 9.3254 9.3254 9.3578 9.3578 k = 0.5000-1.0722-1.0844 ( 4740 PWs) bands (ev): -33.5275 -33.5275 -33.5274 -33.5274 -14.8596 -14.8596 -14.8585 -14.8585 -14.5055 -14.5055 -14.5042 -14.5042 -14.4591 -14.4591 -14.4577 -14.4577 -0.9679 -0.9679 -0.8322 -0.8322 0.3539 0.3539 0.4959 0.4959 3.9287 3.9287 4.0852 4.0852 4.6631 4.6631 4.7575 4.7575 5.6556 5.6556 5.7616 5.7616 7.7626 7.7626 8.9708 8.9708 9.3907 9.3907 9.4079 9.4079 k = 0.5000-1.0557-1.1122 ( 4740 PWs) bands (ev): -33.5274 -33.5274 -33.5273 -33.5273 -14.8596 -14.8596 -14.8586 -14.8586 -14.5047 -14.5047 -14.5035 -14.5035 -14.4608 -14.4608 -14.4594 -14.4594 -0.9361 -0.9361 -0.8001 -0.8001 0.3460 0.3460 0.4875 0.4875 3.8584 3.8584 4.0255 4.0255 4.6488 4.6488 4.7409 4.7409 5.6574 5.6574 5.7411 5.7411 7.7646 7.7646 9.0063 9.0063 9.3959 9.3959 9.4518 9.4518 k = 0.5000-1.0393-1.1400 ( 4754 PWs) bands (ev): -33.5273 -33.5273 -33.5272 -33.5272 -14.8597 -14.8597 -14.8587 -14.8587 -14.5039 -14.5039 -14.5028 -14.5028 -14.4626 -14.4626 -14.4612 -14.4612 -0.9017 -0.9017 -0.7656 -0.7656 0.3358 0.3358 0.4768 0.4768 3.7828 3.7828 3.9577 3.9577 4.6446 4.6446 4.7375 4.7375 5.6581 5.6581 5.7188 5.7188 7.7645 7.7645 9.0195 9.0195 9.3805 9.3805 9.4689 9.4689 k = 0.5000-1.0229-1.1678 ( 4756 PWs) bands (ev): -33.5273 -33.5273 -33.5272 -33.5272 -14.8597 -14.8597 -14.8587 -14.8587 -14.5030 -14.5030 -14.5020 -14.5020 -14.4644 -14.4644 -14.4629 -14.4629 -0.8649 -0.8649 -0.7285 -0.7285 0.3230 0.3230 0.4636 0.4636 3.7045 3.7045 3.8852 3.8852 4.6486 4.6486 4.7447 4.7447 5.6574 5.6574 5.6946 5.6946 7.7622 7.7622 9.0156 9.0156 9.3619 9.3619 9.4732 9.4732 k = 0.5000-1.0064-1.1957 ( 4768 PWs) bands (ev): -33.5272 -33.5272 -33.5271 -33.5271 -14.8598 -14.8598 -14.8588 -14.8588 -14.5021 -14.5021 -14.5011 -14.5011 -14.4663 -14.4663 -14.4648 -14.4648 -0.8256 -0.8256 -0.6889 -0.6889 0.3073 0.3073 0.4474 0.4474 3.6261 3.6261 3.8111 3.8111 4.6592 4.6592 4.7601 4.7601 5.6551 5.6551 5.6686 5.6686 7.7577 7.7577 8.9990 8.9990 9.3464 9.3464 9.4731 9.4731 k = 0.5000-0.9900-1.2235 ( 4766 PWs) bands (ev): -33.5271 -33.5271 -33.5270 -33.5270 -14.8598 -14.8598 -14.8589 -14.8589 -14.5011 -14.5011 -14.5002 -14.5002 -14.4682 -14.4682 -14.4666 -14.4666 -0.7838 -0.7838 -0.6469 -0.6469 0.2883 0.2883 0.4279 0.4279 3.5495 3.5495 3.7380 3.7380 4.6750 4.6750 4.7816 4.7816 5.6407 5.6407 5.6511 5.6511 7.7514 7.7514 8.9734 8.9734 9.3355 9.3355 9.4729 9.4729 k = 0.5000-0.9735-1.2513 ( 4768 PWs) bands (ev): -33.5270 -33.5270 -33.5270 -33.5270 -14.8599 -14.8599 -14.8590 -14.8590 -14.5001 -14.5001 -14.4993 -14.4993 -14.4700 -14.4700 -14.4685 -14.4685 -0.7395 -0.7395 -0.6024 -0.6024 0.2656 0.2656 0.4048 0.4048 3.4763 3.4763 3.6677 3.6677 4.6951 4.6951 4.8078 4.8078 5.6112 5.6112 5.6447 5.6447 7.7436 7.7436 8.9416 8.9416 9.3288 9.3288 9.4747 9.4747 k = 0.5000-0.9571-1.2791 ( 4770 PWs) bands (ev): -33.5270 -33.5270 -33.5269 -33.5269 -14.8600 -14.8600 -14.8591 -14.8591 -14.4990 -14.4990 -14.4984 -14.4984 -14.4719 -14.4719 -14.4703 -14.4703 -0.6927 -0.6927 -0.5554 -0.5554 0.2388 0.2388 0.3777 0.3777 3.4078 3.4078 3.6017 3.6017 4.7189 4.7189 4.8374 4.8374 5.5802 5.5802 5.6360 5.6360 7.7346 7.7346 8.9063 8.9063 9.3254 9.3254 9.4792 9.4792 k = 0.5000-0.9406-1.3069 ( 4768 PWs) bands (ev): -33.5269 -33.5269 -33.5268 -33.5268 -14.8600 -14.8600 -14.8591 -14.8591 -14.4980 -14.4980 -14.4974 -14.4974 -14.4737 -14.4737 -14.4721 -14.4721 -0.6436 -0.6436 -0.5060 -0.5060 0.2076 0.2076 0.3462 0.3462 3.3450 3.3450 3.5412 3.5412 4.7457 4.7457 4.8695 4.8695 5.5478 5.5478 5.6245 5.6245 7.7252 7.7252 8.8694 8.8694 9.3245 9.3245 9.4863 9.4863 k = 0.5000-0.9242-1.3347 ( 4758 PWs) bands (ev): -33.5268 -33.5268 -33.5268 -33.5268 -14.8601 -14.8601 -14.8592 -14.8592 -14.4969 -14.4969 -14.4964 -14.4964 -14.4755 -14.4755 -14.4738 -14.4738 -0.5920 -0.5920 -0.4542 -0.4542 0.1719 0.1719 0.3103 0.3103 3.2887 3.2887 3.4870 3.4870 4.7753 4.7753 4.9030 4.9030 5.5146 5.5146 5.6100 5.6100 7.7159 7.7159 8.8325 8.8325 9.3253 9.3253 9.4957 9.4957 k = 0.5000-0.9077-1.3626 ( 4770 PWs) bands (ev): -33.5268 -33.5268 -33.5267 -33.5267 -14.8602 -14.8602 -14.8593 -14.8593 -14.4958 -14.4958 -14.4955 -14.4955 -14.4772 -14.4772 -14.4754 -14.4754 -0.5379 -0.5379 -0.4001 -0.4001 0.1314 0.1314 0.2698 0.2698 3.2395 3.2395 3.4398 3.4398 4.8073 4.8073 4.9369 4.9369 5.4811 5.4811 5.5922 5.5922 7.7074 7.7074 8.7966 8.7966 9.3275 9.3275 9.5064 9.5064 k = 0.5000-0.8913-1.3904 ( 4766 PWs) bands (ev): -33.5267 -33.5267 -33.5267 -33.5267 -14.8602 -14.8602 -14.8594 -14.8594 -14.4948 -14.4948 -14.4945 -14.4945 -14.4788 -14.4788 -14.4769 -14.4769 -0.4815 -0.4815 -0.3435 -0.3435 0.0860 0.0860 0.2244 0.2244 3.1978 3.1978 3.4000 3.4000 4.8414 4.8414 4.9697 4.9697 5.4484 5.4484 5.5711 5.5711 7.7006 7.7006 8.7627 8.7627 9.3307 9.3307 9.5176 9.5176 k = 0.5000-0.8748-1.4182 ( 4762 PWs) bands (ev): -33.5267 -33.5267 -33.5266 -33.5266 -14.8603 -14.8603 -14.8595 -14.8595 -14.4939 -14.4939 -14.4934 -14.4934 -14.4802 -14.4802 -14.4783 -14.4783 -0.4228 -0.4228 -0.2847 -0.2847 0.0358 0.0358 0.1743 0.1743 3.1638 3.1638 3.3679 3.3679 4.8773 4.8773 4.9994 4.9994 5.4185 5.4185 5.5464 5.5464 7.6960 7.6960 8.7313 8.7313 9.3346 9.3346 9.5282 9.5282 k = 0.5000-0.8584-1.4460 ( 4756 PWs) bands (ev): -33.5266 -33.5266 -33.5266 -33.5266 -14.8603 -14.8603 -14.8596 -14.8596 -14.4932 -14.4932 -14.4925 -14.4925 -14.4815 -14.4815 -14.4794 -14.4794 -0.3616 -0.3616 -0.2236 -0.2236 -0.0191 -0.0191 0.1196 0.1196 3.1377 3.1377 3.3436 3.3436 4.9148 4.9148 5.0229 5.0229 5.3940 5.3940 5.5183 5.5183 7.6942 7.6942 8.7031 8.7031 9.3390 9.3390 9.5369 9.5369 k = 0.5000-0.8419-1.4738 ( 4756 PWs) bands (ev): -33.5266 -33.5266 -33.5265 -33.5265 -14.8603 -14.8603 -14.8596 -14.8596 -14.4926 -14.4926 -14.4917 -14.4917 -14.4825 -14.4825 -14.4803 -14.4803 -0.2982 -0.2982 -0.1608 -0.1608 -0.0781 -0.0781 0.0604 0.0604 3.1195 3.1195 3.3272 3.3272 4.9536 4.9536 5.0360 5.0360 5.3791 5.3791 5.4868 5.4868 7.6957 7.6957 8.6784 8.6784 9.3438 9.3438 9.5426 9.5426 k = 0.5000-0.8255-1.5016 ( 4756 PWs) bands (ev): -33.5266 -33.5266 -33.5265 -33.5265 -14.8603 -14.8603 -14.8597 -14.8597 -14.4923 -14.4923 -14.4913 -14.4913 -14.4830 -14.4830 -14.4808 -14.4808 -0.2325 -0.2325 -0.1452 -0.1452 -0.0919 -0.0919 -0.0031 -0.0031 3.1090 3.1090 3.3185 3.3185 4.9932 4.9932 5.0350 5.0350 5.3774 5.3774 5.4524 5.4524 7.7009 7.7009 8.6576 8.6576 9.3487 9.3487 9.5445 9.5445 k = 0.5000-0.8091-1.5295 ( 4754 PWs) bands (ev): -33.5266 -33.5266 -33.5265 -33.5265 -14.8603 -14.8603 -14.8597 -14.8597 -14.4922 -14.4922 -14.4912 -14.4912 -14.4830 -14.4830 -14.4809 -14.4809 -0.2119 -0.2119 -0.1646 -0.1646 -0.0707 -0.0707 -0.0251 -0.0251 3.1061 3.1061 3.3174 3.3174 5.0173 5.0173 5.0341 5.0341 5.3900 5.3900 5.4160 5.4160 7.7102 7.7102 8.6410 8.6410 9.3538 9.3538 9.5419 9.5419 k = 0.5000-0.7926-1.5573 ( 4752 PWs) bands (ev): -33.5266 -33.5266 -33.5265 -33.5265 -14.8603 -14.8603 -14.8597 -14.8597 -14.4924 -14.4924 -14.4915 -14.4915 -14.4825 -14.4825 -14.4807 -14.4807 -0.2835 -0.2835 -0.1419 -0.1419 -0.0941 -0.0941 0.0448 0.0448 3.1104 3.1104 3.3236 3.3236 4.9878 4.9878 5.0720 5.0720 5.3779 5.3779 5.4160 5.4160 7.7236 7.7236 8.6287 8.6287 9.3589 9.3589 9.5342 9.5342 k = 0.8252-0.7309-1.4450 ( 4752 PWs) bands (ev): -33.5266 -33.5266 -33.5265 -33.5265 -14.8603 -14.8603 -14.8597 -14.8597 -14.4924 -14.4924 -14.4915 -14.4915 -14.4825 -14.4825 -14.4807 -14.4807 -0.2835 -0.2835 -0.1419 -0.1419 -0.0941 -0.0941 0.0448 0.0448 3.1104 3.1104 3.3236 3.3236 4.9878 4.9878 5.0720 5.0720 5.3779 5.3779 5.4160 5.4160 7.7236 7.7236 8.6287 8.6287 9.3589 9.3589 9.5342 9.5342 k = 0.8191-0.7153-1.4167 ( 4746 PWs) bands (ev): -33.5266 -33.5266 -33.5266 -33.5266 -14.8602 -14.8602 -14.8596 -14.8596 -14.4928 -14.4928 -14.4921 -14.4921 -14.4816 -14.4816 -14.4801 -14.4801 -0.3599 -0.3599 -0.2173 -0.2173 -0.0205 -0.0205 0.1185 0.1185 3.1219 3.1219 3.3371 3.3371 4.9473 4.9473 5.1065 5.1065 5.3429 5.3429 5.4503 5.4503 7.7416 7.7416 8.6208 8.6208 9.3639 9.3639 9.5211 9.5211 k = 0.8130-0.6997-1.3884 ( 4736 PWs) bands (ev): -33.5267 -33.5267 -33.5266 -33.5266 -14.8601 -14.8601 -14.8595 -14.8595 -14.4934 -14.4934 -14.4928 -14.4928 -14.4805 -14.4805 -14.4792 -14.4792 -0.4393 -0.4393 -0.2958 -0.2958 0.0554 0.0554 0.1943 0.1943 3.1402 3.1402 3.3575 3.3575 4.8997 4.8997 5.1282 5.1282 5.3190 5.3190 5.4906 5.4906 7.7640 7.7640 8.6177 8.6177 9.3686 9.3686 9.5028 9.5028 k = 0.8068-0.6841-1.3601 ( 4746 PWs) bands (ev): -33.5267 -33.5267 -33.5267 -33.5267 -14.8599 -14.8599 -14.8594 -14.8594 -14.4940 -14.4940 -14.4935 -14.4935 -14.4792 -14.4792 -14.4781 -14.4781 -0.5213 -0.5213 -0.3768 -0.3768 0.1335 0.1335 0.2723 0.2723 3.1649 3.1649 3.3844 3.3844 4.8474 4.8474 5.1244 5.1244 5.3192 5.3192 5.5345 5.5345 7.7908 7.7908 8.6195 8.6195 9.3729 9.3729 9.4797 9.4797 k = 0.8007-0.6685-1.3318 ( 4746 PWs) bands (ev): -33.5268 -33.5268 -33.5267 -33.5267 -14.8597 -14.8597 -14.8592 -14.8592 -14.4946 -14.4946 -14.4941 -14.4941 -14.4778 -14.4778 -14.4770 -14.4770 -0.6054 -0.6054 -0.4599 -0.4599 0.2137 0.2137 0.3524 0.3524 3.1956 3.1956 3.4174 3.4174 4.7918 4.7918 5.0942 5.0942 5.3449 5.3449 5.5807 5.5807 7.8219 7.8219 8.6262 8.6262 9.3764 9.3764 9.4524 9.4524 k = 0.7945-0.6530-1.3034 ( 4748 PWs) bands (ev): -33.5269 -33.5269 -33.5268 -33.5268 -14.8595 -14.8595 -14.8590 -14.8590 -14.4951 -14.4951 -14.4947 -14.4947 -14.4764 -14.4764 -14.4757 -14.4757 -0.6912 -0.6912 -0.5447 -0.5447 0.2959 0.2959 0.4344 0.4344 3.2318 3.2318 3.4562 3.4562 4.7339 4.7339 5.0487 5.0487 5.3852 5.3852 5.6282 5.6282 7.8570 7.8570 8.6377 8.6377 9.3792 9.3792 9.4214 9.4214 k = 0.7884-0.6374-1.2751 ( 4752 PWs) bands (ev): -33.5270 -33.5270 -33.5269 -33.5269 -14.8592 -14.8592 -14.8587 -14.8587 -14.4956 -14.4956 -14.4952 -14.4952 -14.4749 -14.4749 -14.4743 -14.4743 -0.7783 -0.7783 -0.6308 -0.6308 0.3800 0.3800 0.5184 0.5184 3.2731 3.2731 3.5004 3.5004 4.6744 4.6744 4.9959 4.9959 5.4325 5.4325 5.6765 5.6765 7.8960 7.8960 8.6541 8.6541 9.3803 9.3803 9.3878 9.3878 k = 0.7823-0.6218-1.2468 ( 4746 PWs) bands (ev): -33.5271 -33.5271 -33.5270 -33.5270 -14.8588 -14.8588 -14.8583 -14.8583 -14.4960 -14.4960 -14.4955 -14.4955 -14.4733 -14.4733 -14.4729 -14.4729 -0.8663 -0.8663 -0.7178 -0.7178 0.4660 0.4660 0.6043 0.6043 3.3192 3.3192 3.5496 3.5496 4.6139 4.6139 4.9394 4.9394 5.4836 5.4836 5.7252 5.7252 7.9388 7.9388 8.6753 8.6753 9.3506 9.3506 9.3813 9.3813 k = 0.7761-0.6062-1.2185 ( 4740 PWs) bands (ev): -33.5272 -33.5272 -33.5272 -33.5272 -14.8583 -14.8583 -14.8579 -14.8579 -14.4962 -14.4962 -14.4958 -14.4958 -14.4718 -14.4718 -14.4715 -14.4715 -0.9550 -0.9550 -0.8054 -0.8054 0.5537 0.5537 0.6919 0.6919 3.3696 3.3696 3.6035 3.6035 4.5528 4.5528 4.8810 4.8810 5.5370 5.5370 5.7738 5.7738 7.9849 7.9849 8.7010 8.7010 9.3123 9.3123 9.3797 9.3797 k = 0.7700-0.5906-1.1901 ( 4736 PWs) bands (ev): -33.5274 -33.5274 -33.5273 -33.5273 -14.8578 -14.8578 -14.8574 -14.8574 -14.4964 -14.4964 -14.4959 -14.4959 -14.4702 -14.4702 -14.4699 -14.4699 -1.0440 -1.0440 -0.8933 -0.8933 0.6430 0.6430 0.7810 0.7810 3.4239 3.4239 3.6618 3.6618 4.4917 4.4917 4.8218 4.8218 5.5921 5.5921 5.8222 5.8222 8.0342 8.0342 8.7312 8.7312 9.2727 9.2727 9.3763 9.3763 k = 0.7639-0.5751-1.1618 ( 4740 PWs) bands (ev): -33.5275 -33.5275 -33.5275 -33.5275 -14.8573 -14.8573 -14.8568 -14.8568 -14.4965 -14.4965 -14.4960 -14.4960 -14.4686 -14.4686 -14.4684 -14.4684 -1.1330 -1.1330 -0.9813 -0.9813 0.7338 0.7338 0.8717 0.8717 3.4816 3.4816 3.7240 3.7240 4.4309 4.4309 4.7628 4.7628 5.6484 5.6484 5.8701 5.8701 8.0865 8.0865 8.7655 8.7655 9.2322 9.2322 9.3705 9.3705 k = 0.7577-0.5595-1.1335 ( 4742 PWs) bands (ev): -33.5277 -33.5277 -33.5277 -33.5277 -14.8567 -14.8567 -14.8562 -14.8562 -14.4965 -14.4965 -14.4959 -14.4959 -14.4670 -14.4670 -14.4668 -14.4668 -1.2218 -1.2218 -1.0690 -1.0690 0.8259 0.8259 0.9636 0.9636 3.5423 3.5423 3.7899 3.7899 4.3711 4.3711 4.7047 4.7047 5.7056 5.7056 5.9175 5.9175 8.1415 8.1415 8.8036 8.8036 9.1912 9.1912 9.3621 9.3621 k = 0.7516-0.5439-1.1052 ( 4734 PWs) bands (ev): -33.5279 -33.5279 -33.5279 -33.5279 -14.8559 -14.8559 -14.8554 -14.8554 -14.4963 -14.4963 -14.4957 -14.4957 -14.4654 -14.4654 -14.4651 -14.4651 -1.3101 -1.3101 -1.1564 -1.1564 0.9190 0.9190 1.0567 1.0567 3.6053 3.6053 3.8589 3.8589 4.3128 4.3128 4.6484 4.6484 5.7635 5.7635 5.9642 5.9642 8.1989 8.1989 8.8452 8.8452 9.1503 9.1503 9.3510 9.3510 k = 0.7455-0.5283-1.0768 ( 4734 PWs) bands (ev): -33.5281 -33.5281 -33.5281 -33.5281 -14.8552 -14.8552 -14.8546 -14.8546 -14.4960 -14.4960 -14.4954 -14.4954 -14.4637 -14.4637 -14.4635 -14.4635 -1.3978 -1.3978 -1.2430 -1.2430 1.0130 1.0130 1.1507 1.1507 3.6701 3.6701 3.9302 3.9302 4.2571 4.2571 4.5949 4.5949 5.8218 5.8218 6.0101 6.0101 8.2584 8.2584 8.8898 8.8898 9.1098 9.1098 9.3370 9.3370 k = 0.7393-0.5127-1.0485 ( 4732 PWs) bands (ev): -33.5284 -33.5284 -33.5283 -33.5283 -14.8543 -14.8543 -14.8538 -14.8538 -14.4957 -14.4957 -14.4949 -14.4949 -14.4621 -14.4621 -14.4618 -14.4618 -1.4846 -1.4846 -1.3289 -1.3289 1.1075 1.1075 1.2454 1.2454 3.7356 3.7356 4.0014 4.0014 4.2064 4.2064 4.5454 4.5454 5.8804 5.8804 6.0551 6.0551 8.3197 8.3197 8.9367 8.9367 9.0701 9.0701 9.3203 9.3203 k = 0.7332-0.4972-1.0202 ( 4724 PWs) bands (ev): -33.5286 -33.5286 -33.5286 -33.5286 -14.8534 -14.8534 -14.8528 -14.8528 -14.4952 -14.4952 -14.4944 -14.4944 -14.4604 -14.4604 -14.4600 -14.4600 -1.5704 -1.5704 -1.4138 -1.4138 1.2022 1.2022 1.3403 1.3403 3.8004 3.8004 4.0608 4.0608 4.1730 4.1730 4.5016 4.5016 5.9389 5.9389 6.0992 6.0992 8.3825 8.3825 8.9852 8.9852 9.0315 9.0315 9.3014 9.3014 k = 0.7270-0.4816-0.9919 ( 4724 PWs) bands (ev): -33.5289 -33.5289 -33.5288 -33.5288 -14.8524 -14.8524 -14.8518 -14.8518 -14.4946 -14.4946 -14.4938 -14.4938 -14.4587 -14.4587 -14.4583 -14.4583 -1.6550 -1.6550 -1.4975 -1.4975 1.2967 1.2967 1.4353 1.4353 3.8625 3.8625 4.0642 4.0642 4.2014 4.2014 4.4659 4.4659 5.9973 5.9973 6.1423 6.1423 8.4465 8.4465 8.9946 8.9946 9.0339 9.0339 9.2811 9.2811 k = 0.7209-0.4660-0.9635 ( 4734 PWs) bands (ev): -33.5292 -33.5292 -33.5291 -33.5291 -14.8514 -14.8514 -14.8508 -14.8508 -14.4940 -14.4940 -14.4931 -14.4931 -14.4570 -14.4570 -14.4566 -14.4566 -1.7383 -1.7383 -1.5799 -1.5799 1.3904 1.3904 1.5297 1.5297 3.9187 3.9187 4.0290 4.0290 4.2743 4.2743 4.4418 4.4418 6.0552 6.0552 6.1843 6.1843 8.5110 8.5110 8.9596 8.9596 9.0803 9.0803 9.2616 9.2616 k = 0.7148-0.4504-0.9352 ( 4734 PWs) bands (ev): -33.5295 -33.5295 -33.5294 -33.5294 -14.8503 -14.8503 -14.8496 -14.8496 -14.4932 -14.4932 -14.4923 -14.4923 -14.4553 -14.4553 -14.4548 -14.4548 -1.8202 -1.8202 -1.6610 -1.6610 1.4829 1.4829 1.6231 1.6231 3.9646 3.9646 3.9904 3.9904 4.3576 4.3576 4.4340 4.4340 6.1124 6.1124 6.2252 6.2252 8.5756 8.5756 8.9273 8.9273 9.1186 9.1186 9.2485 9.2485 k = 0.7086-0.4348-0.9069 ( 4734 PWs) bands (ev): -33.5298 -33.5298 -33.5297 -33.5297 -14.8491 -14.8491 -14.8484 -14.8484 -14.4924 -14.4924 -14.4914 -14.4914 -14.4535 -14.4535 -14.4530 -14.4530 -1.9006 -1.9006 -1.7405 -1.7405 1.5734 1.5734 1.7150 1.7150 3.9537 3.9537 3.9981 3.9981 4.4441 4.4441 4.4479 4.4479 6.1686 6.1686 6.2649 6.2649 8.6393 8.6393 8.8985 8.8985 9.1360 9.1360 9.2541 9.2541 k = 0.7025-0.4193-0.8786 ( 4738 PWs) bands (ev): -33.5301 -33.5301 -33.5301 -33.5301 -14.8479 -14.8479 -14.8472 -14.8472 -14.4915 -14.4915 -14.4905 -14.4905 -14.4517 -14.4517 -14.4511 -14.4511 -1.9794 -1.9794 -1.8185 -1.8185 1.6610 1.6610 1.8044 1.8044 3.9230 3.9230 4.0162 4.0162 4.4812 4.4812 4.5356 4.5356 6.2236 6.2236 6.3034 6.3034 8.7000 8.7000 8.8750 8.8750 9.1277 9.1277 9.2827 9.2827 k = 0.6964-0.4037-0.8502 ( 4740 PWs) bands (ev): -33.5304 -33.5304 -33.5304 -33.5304 -14.8467 -14.8467 -14.8459 -14.8459 -14.4905 -14.4905 -14.4895 -14.4895 -14.4499 -14.4499 -14.4493 -14.4493 -2.0564 -2.0564 -1.8947 -1.8947 1.7449 1.7449 1.8906 1.8906 3.8989 3.8989 4.0239 4.0239 4.5348 4.5348 4.6280 4.6280 6.2771 6.2771 6.3407 6.3407 8.7516 8.7516 8.8628 8.8628 9.1068 9.1068 9.3207 9.3207 k = 0.6902-0.3881-0.8219 ( 4734 PWs) bands (ev): -33.5308 -33.5308 -33.5307 -33.5307 -14.8454 -14.8454 -14.8446 -14.8446 -14.4894 -14.4894 -14.4884 -14.4884 -14.4480 -14.4480 -14.4474 -14.4474 -2.1316 -2.1316 -1.9692 -1.9692 1.8239 1.8239 1.9727 1.9727 3.8826 3.8826 4.0267 4.0267 4.6023 4.6023 4.7221 4.7221 6.3287 6.3287 6.3766 6.3766 8.7777 8.7777 8.8780 8.8780 9.0818 9.0818 9.3592 9.3592 k = 0.6841-0.3725-0.7936 ( 4734 PWs) bands (ev): -33.5311 -33.5311 -33.5311 -33.5311 -14.8441 -14.8441 -14.8433 -14.8433 -14.4883 -14.4883 -14.4872 -14.4872 -14.4461 -14.4461 -14.4454 -14.4454 -2.2049 -2.2049 -2.0419 -2.0419 1.8970 1.8970 2.0495 2.0495 3.8756 3.8756 4.0300 4.0300 4.6794 4.6794 4.8177 4.8177 6.3780 6.3780 6.4112 6.4112 8.7769 8.7769 8.9214 8.9214 9.0558 9.0558 9.3944 9.3944 k = 0.6780-0.3569-0.7653 ( 4732 PWs) bands (ev): -33.5315 -33.5315 -33.5314 -33.5314 -14.8427 -14.8427 -14.8419 -14.8419 -14.4872 -14.4872 -14.4861 -14.4861 -14.4441 -14.4441 -14.4435 -14.4435 -2.2763 -2.2763 -2.1126 -2.1126 1.9631 1.9631 2.1200 2.1200 3.8789 3.8789 4.0379 4.0379 4.7631 4.7631 4.9144 4.9144 6.4248 6.4248 6.4444 6.4444 8.7693 8.7693 8.9725 8.9725 9.0304 9.0304 9.4244 9.4244 k = 0.6718-0.3413-0.7370 ( 4740 PWs) bands (ev): -33.5318 -33.5318 -33.5318 -33.5318 -14.8414 -14.8414 -14.8405 -14.8405 -14.4860 -14.4860 -14.4849 -14.4849 -14.4422 -14.4422 -14.4415 -14.4415 -2.3457 -2.3457 -2.1813 -2.1813 2.0211 2.0211 2.1830 2.1830 3.8937 3.8937 4.0533 4.0533 4.8514 4.8514 5.0120 5.0120 6.4683 6.4683 6.4765 6.4765 8.7627 8.7627 9.0064 9.0064 9.0224 9.0224 9.4481 9.4481 k = 0.6657-0.3258-0.7086 ( 4738 PWs) bands (ev): -33.5322 -33.5322 -33.5322 -33.5322 -14.8400 -14.8400 -14.8392 -14.8392 -14.4848 -14.4848 -14.4837 -14.4837 -14.4401 -14.4401 -14.4395 -14.4395 -2.4131 -2.4131 -2.2480 -2.2480 2.0702 2.0702 2.2378 2.2378 3.9209 3.9209 4.0782 4.0782 4.9429 4.9429 5.1102 5.1102 6.5041 6.5041 6.5116 6.5116 8.7595 8.7595 8.9845 8.9845 9.0680 9.0680 9.4652 9.4652 k = 0.6595-0.3102-0.6803 ( 4744 PWs) bands (ev): -33.5326 -33.5326 -33.5326 -33.5326 -14.8386 -14.8386 -14.8378 -14.8378 -14.4836 -14.4836 -14.4824 -14.4824 -14.4381 -14.4381 -14.4374 -14.4374 -2.4783 -2.4783 -2.3126 -2.3126 2.1100 2.1100 2.2835 2.2835 3.9610 3.9610 4.1140 4.1140 5.0367 5.0367 5.2087 5.2087 6.5329 6.5329 6.5486 6.5486 8.7607 8.7607 8.9652 8.9652 9.1072 9.1072 9.4756 9.4756 k = 0.6534-0.2946-0.6520 ( 4740 PWs) bands (ev): -33.5330 -33.5330 -33.5329 -33.5329 -14.8373 -14.8373 -14.8364 -14.8364 -14.4823 -14.4823 -14.4812 -14.4812 -14.4360 -14.4360 -14.4353 -14.4353 -2.5414 -2.5414 -2.3751 -2.3751 2.1403 2.1403 2.3199 2.3199 4.0139 4.0139 4.1615 4.1615 5.1321 5.1321 5.3074 5.3074 6.5594 6.5594 6.5826 6.5826 8.7665 8.7665 8.9489 8.9489 9.1388 9.1388 9.4798 9.4798 k = 0.6473-0.2790-0.6237 ( 4740 PWs) bands (ev): -33.5333 -33.5333 -33.5333 -33.5333 -14.8359 -14.8359 -14.8351 -14.8351 -14.4811 -14.4811 -14.4800 -14.4800 -14.4338 -14.4338 -14.4332 -14.4332 -2.6023 -2.6023 -2.4354 -2.4354 2.1616 2.1616 2.3472 2.3472 4.0795 4.0795 4.2210 4.2210 5.2287 5.2287 5.4057 5.4057 6.5840 6.5840 6.6130 6.6130 8.7772 8.7772 8.9359 8.9359 9.1618 9.1618 9.4784 9.4784 k = 0.6411-0.2634-0.5953 ( 4738 PWs) bands (ev): -33.5337 -33.5337 -33.5337 -33.5337 -14.8346 -14.8346 -14.8337 -14.8337 -14.4799 -14.4799 -14.4787 -14.4787 -14.4316 -14.4316 -14.4311 -14.4311 -2.6609 -2.6609 -2.4936 -2.4936 2.1745 2.1745 2.3657 2.3657 4.1569 4.1569 4.2920 4.2920 5.3260 5.3260 5.5036 5.5036 6.6066 6.6066 6.6397 6.6397 8.7926 8.7926 8.9265 8.9265 9.1762 9.1762 9.4725 9.4725 k = 0.6350-0.2479-0.5670 ( 4740 PWs) bands (ev): -33.5341 -33.5341 -33.5341 -33.5341 -14.8332 -14.8332 -14.8324 -14.8324 -14.4787 -14.4787 -14.4775 -14.4775 -14.4294 -14.4294 -14.4289 -14.4289 -2.7173 -2.7173 -2.5494 -2.5494 2.1800 2.1800 2.3764 2.3764 4.2451 4.2451 4.3740 4.3740 5.4235 5.4235 5.6006 5.6006 6.6273 6.6273 6.6626 6.6626 8.8126 8.8126 8.9210 8.9210 9.1825 9.1825 9.4628 9.4628 k = 0.6289-0.2323-0.5387 ( 4734 PWs) bands (ev): -33.5344 -33.5344 -33.5344 -33.5344 -14.8320 -14.8320 -14.8311 -14.8311 -14.4775 -14.4775 -14.4764 -14.4764 -14.4272 -14.4272 -14.4266 -14.4266 -2.7713 -2.7713 -2.6030 -2.6030 2.1793 2.1793 2.3802 2.3802 4.3430 4.3430 4.4659 4.4659 5.5209 5.5209 5.6963 5.6963 6.6459 6.6459 6.6819 6.6819 8.8368 8.8368 8.9196 8.9196 9.1822 9.1822 9.4503 9.4503 k = 0.6227-0.2167-0.5104 ( 4728 PWs) bands (ev): -33.5348 -33.5348 -33.5348 -33.5348 -14.8307 -14.8307 -14.8299 -14.8299 -14.4763 -14.4763 -14.4752 -14.4752 -14.4250 -14.4250 -14.4244 -14.4244 -2.8230 -2.8230 -2.6542 -2.6542 2.1733 2.1733 2.3782 2.3782 4.4495 4.4495 4.5666 4.5666 5.6179 5.6179 5.7905 5.7905 6.6627 6.6627 6.6976 6.6976 8.8644 8.8644 8.9225 8.9225 9.1770 9.1770 9.4358 9.4358 k = 0.6166-0.2011-0.4820 ( 4728 PWs) bands (ev): -33.5352 -33.5352 -33.5352 -33.5352 -14.8295 -14.8295 -14.8287 -14.8287 -14.4752 -14.4752 -14.4741 -14.4741 -14.4227 -14.4227 -14.4222 -14.4222 -2.8724 -2.8724 -2.7032 -2.7032 2.1633 2.1633 2.3714 2.3714 4.5633 4.5633 4.6752 4.6752 5.7139 5.7139 5.8827 5.8827 6.6774 6.6774 6.7100 6.7100 8.8945 8.8945 8.9296 8.9296 9.1692 9.1692 9.4199 9.4199 k = 0.6105-0.1855-0.4537 ( 4726 PWs) bands (ev): -33.5355 -33.5355 -33.5355 -33.5355 -14.8284 -14.8284 -14.8275 -14.8275 -14.4741 -14.4741 -14.4730 -14.4730 -14.4205 -14.4205 -14.4200 -14.4200 -2.9194 -2.9194 -2.7497 -2.7497 2.1500 2.1500 2.3610 2.3610 4.6833 4.6833 4.7905 4.7905 5.8087 5.8087 5.9725 5.9725 6.6903 6.6903 6.7194 6.7194 8.9252 8.9252 8.9412 8.9412 9.1614 9.1614 9.4035 9.4035 k = 0.6043-0.1700-0.4254 ( 4724 PWs) bands (ev): -33.5359 -33.5359 -33.5359 -33.5359 -14.8273 -14.8273 -14.8264 -14.8264 -14.4731 -14.4731 -14.4720 -14.4720 -14.4183 -14.4183 -14.4177 -14.4177 -2.9639 -2.9639 -2.7939 -2.7939 2.1344 2.1344 2.3477 2.3477 4.8086 4.8086 4.9114 4.9114 5.9017 5.9017 6.0595 6.0595 6.7014 6.7014 6.7262 6.7262 8.9537 8.9537 8.9576 8.9576 9.1565 9.1565 9.3868 9.3868 k = 0.5982-0.1544-0.3971 ( 4720 PWs) bands (ev): -33.5362 -33.5362 -33.5362 -33.5362 -14.8262 -14.8262 -14.8254 -14.8254 -14.4721 -14.4721 -14.4711 -14.4711 -14.4161 -14.4161 -14.4156 -14.4156 -3.0060 -3.0060 -2.8356 -2.8356 2.1172 2.1172 2.3325 2.3325 4.9382 4.9382 5.0371 5.0371 5.9928 5.9928 6.1435 6.1435 6.7108 6.7108 6.7305 6.7305 8.9761 8.9761 8.9791 8.9791 9.1586 9.1586 9.3703 9.3703 k = 0.5920-0.1388-0.3687 ( 4712 PWs) bands (ev): -33.5365 -33.5365 -33.5365 -33.5365 -14.8252 -14.8252 -14.8244 -14.8244 -14.4712 -14.4712 -14.4702 -14.4702 -14.4139 -14.4139 -14.4134 -14.4134 -3.0457 -3.0457 -2.8749 -2.8749 2.0990 2.0990 2.3158 2.3158 5.0711 5.0711 5.1666 5.1666 6.0813 6.0813 6.2238 6.2238 6.7186 6.7186 6.7329 6.7329 8.9930 8.9930 9.0013 9.0013 9.1709 9.1709 9.3544 9.3544 k = 0.5859-0.1232-0.3404 ( 4712 PWs) bands (ev): -33.5368 -33.5368 -33.5368 -33.5368 -14.8242 -14.8242 -14.8234 -14.8234 -14.4703 -14.4703 -14.4693 -14.4693 -14.4118 -14.4118 -14.4113 -14.4113 -3.0829 -3.0829 -2.9118 -2.9118 2.0803 2.0803 2.2984 2.2984 5.2066 5.2066 5.2991 5.2991 6.1668 6.1668 6.3002 6.3002 6.7249 6.7249 6.7338 6.7338 8.9987 8.9987 9.0293 9.0293 9.1936 9.1936 9.3392 9.3392 k = 0.5798-0.1076-0.3121 ( 4702 PWs) bands (ev): -33.5371 -33.5371 -33.5371 -33.5371 -14.8233 -14.8233 -14.8225 -14.8225 -14.4695 -14.4695 -14.4685 -14.4685 -14.4098 -14.4098 -14.4093 -14.4093 -3.1175 -3.1175 -2.9462 -2.9462 2.0615 2.0615 2.2807 2.2807 5.3438 5.3438 5.4338 5.4338 6.2489 6.2489 6.3723 6.3723 6.7292 6.7292 6.7343 6.7343 8.9976 8.9976 9.0609 9.0609 9.2231 9.2231 9.3250 9.3250 k = 0.5736-0.0921-0.2838 ( 4706 PWs) bands (ev): -33.5374 -33.5374 -33.5374 -33.5374 -14.8225 -14.8225 -14.8218 -14.8218 -14.4687 -14.4687 -14.4678 -14.4678 -14.4078 -14.4078 -14.4073 -14.4073 -3.1497 -3.1497 -2.9781 -2.9781 2.0430 2.0430 2.2632 2.2632 5.4817 5.4817 5.5697 5.5697 6.3272 6.3272 6.4398 6.4398 6.7297 6.7297 6.7366 6.7366 8.9930 8.9930 9.0957 9.0957 9.2551 9.2551 9.3119 9.3119 k = 0.5675-0.0765-0.2554 ( 4710 PWs) bands (ev): -33.5376 -33.5376 -33.5376 -33.5376 -14.8218 -14.8218 -14.8210 -14.8210 -14.4680 -14.4680 -14.4671 -14.4671 -14.4059 -14.4059 -14.4055 -14.4055 -3.1794 -3.1794 -3.0075 -3.0075 2.0252 2.0252 2.2460 2.2460 5.6192 5.6192 5.7059 5.7059 6.4010 6.4010 6.5023 6.5023 6.7279 6.7279 6.7399 6.7399 8.9871 8.9871 9.1331 9.1331 9.2857 9.2857 9.2999 9.2999 k = 0.5614-0.0609-0.2271 ( 4710 PWs) bands (ev): -33.5379 -33.5379 -33.5379 -33.5379 -14.8211 -14.8211 -14.8204 -14.8204 -14.4674 -14.4674 -14.4665 -14.4665 -14.4042 -14.4042 -14.4038 -14.4038 -3.2065 -3.2065 -3.0344 -3.0344 2.0082 2.0082 2.2296 2.2296 5.7553 5.7553 5.8414 5.8414 6.4700 6.4700 6.5594 6.5594 6.7256 6.7256 6.7432 6.7432 8.9809 8.9809 9.1722 9.1722 9.2892 9.2892 9.3121 9.3121 k = 0.5552-0.0453-0.1988 ( 4710 PWs) bands (ev): -33.5381 -33.5381 -33.5381 -33.5381 -14.8205 -14.8205 -14.8198 -14.8198 -14.4668 -14.4668 -14.4660 -14.4660 -14.4025 -14.4025 -14.4021 -14.4021 -3.2311 -3.2311 -3.0588 -3.0588 1.9923 1.9923 2.2142 2.2142 5.8887 5.8887 5.9749 5.9749 6.5336 6.5336 6.6109 6.6109 6.7233 6.7233 6.7468 6.7468 8.9745 8.9745 9.2115 9.2115 9.2809 9.2809 9.3310 9.3310 k = 0.5491-0.0297-0.1705 ( 4702 PWs) bands (ev): -33.5383 -33.5383 -33.5383 -33.5383 -14.8199 -14.8199 -14.8192 -14.8192 -14.4663 -14.4663 -14.4655 -14.4655 -14.4010 -14.4010 -14.4006 -14.4006 -3.2531 -3.2531 -3.0806 -3.0806 1.9777 1.9777 2.1999 2.1999 6.0176 6.0176 6.1047 6.1047 6.5912 6.5912 6.6563 6.6563 6.7218 6.7218 6.7512 6.7512 8.9675 8.9675 9.2438 9.2438 9.2809 9.2809 9.3394 9.3394 k = 0.5430-0.0142-0.1422 ( 4698 PWs) bands (ev): -33.5385 -33.5385 -33.5385 -33.5385 -14.8194 -14.8194 -14.8187 -14.8187 -14.4658 -14.4658 -14.4650 -14.4650 -14.3997 -14.3997 -14.3993 -14.3993 -3.2725 -3.2725 -3.0999 -3.0999 1.9644 1.9644 2.1870 2.1870 6.1400 6.1400 6.2290 6.2290 6.6418 6.6418 6.6946 6.6946 6.7221 6.7221 6.7579 6.7579 8.9587 8.9587 9.2501 9.2501 9.3070 9.3070 9.3346 9.3346 k = 0.5368 0.0014-0.1138 ( 4702 PWs) bands (ev): -33.5386 -33.5386 -33.5386 -33.5386 -14.8190 -14.8190 -14.8183 -14.8183 -14.4655 -14.4655 -14.4647 -14.4647 -14.3985 -14.3985 -14.3981 -14.3981 -3.2894 -3.2894 -3.1166 -3.1166 1.9527 1.9527 2.1755 2.1755 6.2534 6.2534 6.3448 6.3448 6.6831 6.6831 6.7242 6.7242 6.7271 6.7271 6.7690 6.7690 8.9465 8.9465 9.2443 9.2443 9.3152 9.3152 9.3452 9.3452 k = 0.5307 0.0170-0.0855 ( 4698 PWs) bands (ev): -33.5388 -33.5388 -33.5388 -33.5388 -14.8186 -14.8186 -14.8180 -14.8180 -14.4651 -14.4651 -14.4644 -14.4644 -14.3975 -14.3975 -14.3971 -14.3971 -3.3037 -3.3037 -3.1308 -3.1308 1.9427 1.9427 2.1657 2.1657 6.3548 6.3548 6.4480 6.4480 6.7095 6.7095 6.7391 6.7391 6.7495 6.7495 6.7856 6.7856 8.9291 8.9291 9.2366 9.2366 9.2879 9.2879 9.3820 9.3821 k = 0.5245 0.0326-0.0572 ( 4698 PWs) bands (ev): -33.5389 -33.5389 -33.5389 -33.5389 -14.8183 -14.8183 -14.8177 -14.8177 -14.4648 -14.4648 -14.4641 -14.4641 -14.3966 -14.3966 -14.3962 -14.3962 -3.3154 -3.3154 -3.1423 -3.1423 1.9344 1.9344 2.1575 2.1575 6.4403 6.4403 6.5323 6.5323 6.7273 6.7273 6.7549 6.7549 6.7753 6.7753 6.8039 6.8039 8.9058 8.9058 9.2277 9.2277 9.2601 9.2601 9.4161 9.4161 k = 0.5184 0.0482-0.0289 ( 4704 PWs) bands (ev): -33.5390 -33.5390 -33.5390 -33.5390 -14.8181 -14.8181 -14.8175 -14.8175 -14.4646 -14.4646 -14.4639 -14.4639 -14.3960 -14.3960 -14.3956 -14.3956 -3.3245 -3.3245 -3.1514 -3.1514 1.9278 1.9278 2.1511 2.1511 6.5065 6.5065 6.5902 6.5902 6.7513 6.7513 6.7707 6.7707 6.7994 6.7994 6.8194 6.8194 8.8786 8.8786 9.2177 9.2177 9.2392 9.2392 9.4459 9.4459 k = 0.5123 0.0638-0.0005 ( 4710 PWs) bands (ev): -33.5390 -33.5390 -33.5390 -33.5390 -14.8179 -14.8179 -14.8173 -14.8173 -14.4645 -14.4645 -14.4638 -14.4638 -14.3955 -14.3955 -14.3951 -14.3951 -3.3310 -3.3310 -3.1578 -3.1578 1.9231 1.9231 2.1464 2.1464 6.5516 6.5516 6.6210 6.6210 6.7810 6.7810 6.7873 6.7873 6.8184 6.8184 6.8304 6.8304 8.8525 8.8525 9.2079 9.2079 9.2267 9.2267 9.4709 9.4709 k = 0.5061 0.0793 0.0278 ( 4710 PWs) bands (ev): -33.5391 -33.5391 -33.5391 -33.5391 -14.8178 -14.8178 -14.8172 -14.8172 -14.4644 -14.4644 -14.4637 -14.4637 -14.3952 -14.3952 -14.3948 -14.3948 -3.3349 -3.3349 -3.1617 -3.1617 1.9203 1.9203 2.1436 2.1436 6.5766 6.5766 6.6340 6.6340 6.7989 6.7989 6.8072 6.8072 6.8288 6.8288 6.8387 6.8387 8.8335 8.8335 9.2012 9.2012 9.2201 9.2201 9.4915 9.4915 k = 0.5000 0.0949 0.0561 ( 4698 PWs) bands (ev): -33.5391 -33.5391 -33.5391 -33.5391 -14.8178 -14.8178 -14.8172 -14.8172 -14.4644 -14.4644 -14.4637 -14.4637 -14.3951 -14.3951 -14.3947 -14.3947 -3.3362 -3.3362 -3.1630 -3.1630 1.9193 1.9193 2.1427 2.1427 6.5845 6.5845 6.6375 6.6375 6.8042 6.8042 6.8171 6.8171 6.8299 6.8299 6.8432 6.8432 8.8266 8.8266 9.1989 9.1989 9.2180 9.2180 9.5045 9.5045 k = 0.5000 0.0949 0.0561 ( 4698 PWs) bands (ev): -33.5391 -33.5391 -33.5391 -33.5391 -14.8178 -14.8178 -14.8172 -14.8172 -14.4644 -14.4644 -14.4637 -14.4637 -14.3951 -14.3951 -14.3947 -14.3947 -3.3362 -3.3362 -3.1630 -3.1630 1.9193 1.9193 2.1427 2.1427 6.5845 6.5845 6.6375 6.6375 6.8042 6.8042 6.8171 6.8171 6.8299 6.8299 6.8432 6.8432 8.8266 8.8266 9.1989 9.1989 9.2180 9.2180 9.5045 9.5046 k = 0.4688 0.0890 0.0526 ( 4713 PWs) bands (ev): -33.5391 -33.5391 -33.5391 -33.5391 -14.8179 -14.8179 -14.8171 -14.8171 -14.4646 -14.4646 -14.4635 -14.4635 -14.3951 -14.3951 -14.3947 -14.3947 -3.3379 -3.3379 -3.1610 -3.1610 1.8952 1.8952 2.1696 2.1696 6.4689 6.4689 6.7532 6.7532 6.7920 6.7920 6.8178 6.8178 6.8310 6.8310 6.8559 6.8559 8.8266 8.8266 9.1903 9.1903 9.2090 9.2090 9.5045 9.5045 k = 0.4375 0.0830 0.0491 ( 4719 PWs) bands (ev): -33.5391 -33.5391 -33.5391 -33.5391 -14.8182 -14.8182 -14.8168 -14.8168 -14.4649 -14.4649 -14.4632 -14.4632 -14.3951 -14.3951 -14.3948 -14.3948 -3.3429 -3.3429 -3.1553 -3.1553 1.8423 1.8423 2.2309 2.2309 6.3319 6.3319 6.7754 6.7754 6.8015 6.8015 6.8437 6.8437 6.8739 6.8739 6.8993 6.8993 8.8268 8.8268 9.1667 9.1667 9.1845 9.1845 9.5045 9.5045 k = 0.4062 0.0771 0.0456 ( 4707 PWs) bands (ev): -33.5391 -33.5391 -33.5391 -33.5391 -14.8185 -14.8185 -14.8165 -14.8165 -14.4652 -14.4652 -14.4628 -14.4628 -14.3951 -14.3951 -14.3947 -14.3947 -3.3503 -3.3503 -3.1467 -3.1467 1.7810 1.7810 2.3061 2.3061 6.1961 6.1961 6.7597 6.7597 6.7857 6.7857 6.8644 6.8644 6.8926 6.8926 7.0390 7.0390 8.8270 8.8270 9.1329 9.1329 9.1497 9.1497 9.5045 9.5045 k = 0.3750 0.0712 0.0421 ( 4707 PWs) bands (ev): -33.5391 -33.5391 -33.5391 -33.5391 -14.8188 -14.8188 -14.8162 -14.8162 -14.4656 -14.4656 -14.4625 -14.4625 -14.3951 -14.3951 -14.3947 -14.3947 -3.3595 -3.3595 -3.1360 -3.1360 1.7190 1.7190 2.3873 2.3873 6.0625 6.0625 6.7448 6.7448 6.7707 6.7707 6.8834 6.8834 6.9115 6.9115 7.1806 7.1806 8.8272 8.8272 9.0932 9.0932 9.1091 9.1091 9.5046 9.5046 k = 0.3438 0.0653 0.0386 ( 4701 PWs) bands (ev): -33.5391 -33.5391 -33.5390 -33.5390 -14.8190 -14.8190 -14.8160 -14.8160 -14.4658 -14.4658 -14.4622 -14.4622 -14.3951 -14.3951 -14.3947 -14.3947 -3.3695 -3.3695 -3.1240 -3.1240 1.6589 1.6589 2.4715 2.4715 5.9319 5.9319 6.7308 6.7308 6.7566 6.7566 6.9023 6.9023 6.9304 6.9304 7.3221 7.3221 8.8273 8.8273 9.0509 9.0509 9.0660 9.0660 9.5044 9.5044 k = 0.3125 0.0593 0.0351 ( 4701 PWs) bands (ev): -33.5391 -33.5391 -33.5390 -33.5390 -14.8193 -14.8193 -14.8157 -14.8157 -14.4662 -14.4662 -14.4619 -14.4619 -14.3951 -14.3951 -14.3947 -14.3947 -3.3799 -3.3799 -3.1114 -3.1114 1.6021 1.6021 2.5571 2.5571 5.8049 5.8049 6.7178 6.7178 6.7435 6.7435 6.9207 6.9207 6.9490 6.9490 7.4626 7.4626 8.8272 8.8272 9.0080 9.0080 9.0224 9.0224 9.5038 9.5038 k = 0.2812 0.0534 0.0316 ( 4701 PWs) bands (ev): -33.5391 -33.5391 -33.5390 -33.5390 -14.8195 -14.8195 -14.8154 -14.8154 -14.4665 -14.4665 -14.4615 -14.4615 -14.3951 -14.3951 -14.3947 -14.3947 -3.3902 -3.3902 -3.0986 -3.0986 1.5493 1.5493 2.6429 2.6429 5.6823 5.6823 6.7059 6.7059 6.7316 6.7316 6.9386 6.9386 6.9671 6.9671 7.6013 7.6013 8.8267 8.8267 8.9660 8.9660 8.9797 8.9797 9.5026 9.5026 k = 0.2500 0.0475 0.0281 ( 4701 PWs) bands (ev): -33.5391 -33.5391 -33.5390 -33.5390 -14.8198 -14.8198 -14.8152 -14.8152 -14.4667 -14.4667 -14.4613 -14.4613 -14.3950 -14.3950 -14.3948 -14.3948 -3.4001 -3.4001 -3.0863 -3.0863 1.5010 1.5010 2.7275 2.7275 5.5651 5.5651 6.6951 6.6951 6.7208 6.7208 6.9557 6.9557 6.9844 6.9844 7.7376 7.7376 8.8257 8.8257 8.9260 8.9260 8.9392 8.9392 9.5005 9.5005 k = 0.2188 0.0415 0.0246 ( 4700 PWs) bands (ev): -33.5391 -33.5391 -33.5390 -33.5390 -14.8200 -14.8200 -14.8150 -14.8150 -14.4670 -14.4670 -14.4610 -14.4610 -14.3950 -14.3950 -14.3948 -14.3948 -3.4092 -3.4092 -3.0746 -3.0746 1.4576 1.4576 2.8096 2.8096 5.4545 5.4545 6.6855 6.6855 6.7111 6.7111 6.9717 6.9717 7.0006 7.0006 7.8704 7.8704 8.8237 8.8237 8.8889 8.8889 8.9015 8.9015 9.4972 9.4972 k = 0.1875 0.0356 0.0210 ( 4709 PWs) bands (ev): -33.5391 -33.5391 -33.5390 -33.5390 -14.8202 -14.8202 -14.8149 -14.8149 -14.4672 -14.4672 -14.4608 -14.4608 -14.3950 -14.3950 -14.3948 -14.3948 -3.4175 -3.4175 -3.0639 -3.0639 1.4194 1.4194 2.8877 2.8877 5.3518 5.3518 6.6772 6.6772 6.7027 6.7027 6.9864 6.9864 7.0155 7.0155 7.9982 7.9982 8.8205 8.8205 8.8553 8.8553 8.8675 8.8675 9.4923 9.4923 k = 0.1562 0.0297 0.0175 ( 4691 PWs) bands (ev): -33.5391 -33.5391 -33.5390 -33.5390 -14.8203 -14.8203 -14.8147 -14.8147 -14.4673 -14.4673 -14.4606 -14.4606 -14.3949 -14.3949 -14.3948 -14.3948 -3.4247 -3.4247 -3.0545 -3.0545 1.3866 1.3866 2.9600 2.9600 5.2588 5.2588 6.6700 6.6700 6.6955 6.6955 6.9994 6.9994 7.0287 7.0287 8.1193 8.1193 8.8155 8.8155 8.8260 8.8260 8.8377 8.8377 9.4855 9.4855 k = 0.1250 0.0237 0.0140 ( 4688 PWs) bands (ev): -33.5391 -33.5391 -33.5390 -33.5390 -14.8204 -14.8204 -14.8145 -14.8145 -14.4675 -14.4675 -14.4604 -14.4604 -14.3949 -14.3949 -14.3948 -14.3948 -3.4307 -3.4307 -3.0465 -3.0465 1.3596 1.3596 3.0243 3.0243 5.1777 5.1777 6.6642 6.6642 6.6896 6.6896 7.0105 7.0105 7.0400 7.0400 8.2313 8.2313 8.8010 8.8010 8.8084 8.8084 8.8126 8.8126 9.4769 9.4769 k = 0.0938 0.0178 0.0105 ( 4685 PWs) bands (ev): -33.5391 -33.5391 -33.5390 -33.5390 -14.8205 -14.8205 -14.8144 -14.8144 -14.4676 -14.4676 -14.4603 -14.4603 -14.3949 -14.3949 -14.3948 -14.3948 -3.4354 -3.4354 -3.0401 -3.0401 1.3383 1.3383 3.0782 3.0782 5.1107 5.1107 6.6596 6.6596 6.6850 6.6850 7.0194 7.0194 7.0491 7.0491 8.3307 8.3307 8.7814 8.7814 8.7926 8.7926 8.7983 8.7983 9.4669 9.4669 k = 0.0625 0.0119 0.0070 ( 4685 PWs) bands (ev): -33.5391 -33.5391 -33.5390 -33.5390 -14.8206 -14.8206 -14.8144 -14.8144 -14.4677 -14.4677 -14.4602 -14.4602 -14.3949 -14.3949 -14.3948 -14.3948 -3.4389 -3.4389 -3.0354 -3.0354 1.3230 1.3230 3.1192 3.1192 5.0605 5.0605 6.6563 6.6563 6.6817 6.6817 7.0260 7.0260 7.0557 7.0557 8.4123 8.4123 8.7670 8.7670 8.7781 8.7781 8.7860 8.7860 9.4570 9.4570 k = 0.0312 0.0059 0.0035 ( 4679 PWs) bands (ev): -33.5391 -33.5391 -33.5390 -33.5390 -14.8206 -14.8206 -14.8143 -14.8143 -14.4677 -14.4677 -14.4601 -14.4601 -14.3949 -14.3949 -14.3948 -14.3948 -3.4410 -3.4410 -3.0326 -3.0326 1.3138 1.3138 3.1449 3.1449 5.0292 5.0292 6.6543 6.6543 6.6798 6.6798 7.0300 7.0300 7.0598 7.0598 8.4684 8.4684 8.7584 8.7584 8.7693 8.7693 8.7742 8.7742 9.4495 9.4495 k = 0.0000 0.0000 0.0000 ( 4685 PWs) bands (ev): -33.5391 -33.5391 -33.5390 -33.5390 -14.8206 -14.8206 -14.8143 -14.8143 -14.4677 -14.4677 -14.4601 -14.4601 -14.3949 -14.3949 -14.3948 -14.3948 -3.4417 -3.4417 -3.0317 -3.0317 1.3108 1.3108 3.1536 3.1536 5.0185 5.0185 6.6537 6.6537 6.6791 6.6791 7.0313 7.0313 7.0612 7.0612 8.4890 8.4890 8.7555 8.7555 8.7663 8.7663 8.7689 8.7689 9.4466 9.4466 k = 0.0000 0.0000 0.0000 ( 4685 PWs) bands (ev): -33.5391 -33.5391 -33.5390 -33.5390 -14.8206 -14.8206 -14.8143 -14.8143 -14.4677 -14.4677 -14.4601 -14.4601 -14.3949 -14.3949 -14.3948 -14.3948 -3.4417 -3.4417 -3.0317 -3.0317 1.3108 1.3108 3.1536 3.1536 5.0185 5.0185 6.6537 6.6537 6.6791 6.6791 7.0313 7.0313 7.0612 7.0612 8.4890 8.4890 8.7555 8.7555 8.7663 8.7663 8.7689 8.7689 9.4466 9.4466 k = 0.0061-0.0156-0.0283 ( 4681 PWs) bands (ev): -33.5391 -33.5391 -33.5390 -33.5390 -14.8207 -14.8207 -14.8143 -14.8143 -14.4678 -14.4678 -14.4602 -14.4602 -14.3950 -14.3950 -14.3949 -14.3949 -3.4403 -3.4403 -3.0304 -3.0304 1.3121 1.3121 3.1534 3.1534 5.0200 5.0200 6.6462 6.6462 6.6730 6.6730 7.0193 7.0193 7.0517 7.0517 8.4965 8.4965 8.6814 8.6814 8.7632 8.7632 8.8467 8.8467 9.4591 9.4591 k = 0.0123-0.0312-0.0566 ( 4683 PWs) bands (ev): -33.5391 -33.5391 -33.5389 -33.5389 -14.8208 -14.8208 -14.8144 -14.8144 -14.4679 -14.4679 -14.4602 -14.4602 -14.3953 -14.3953 -14.3952 -14.3952 -3.4362 -3.4362 -3.0268 -3.0268 1.3161 1.3161 3.1527 3.1527 5.0244 5.0244 6.6185 6.6185 6.6608 6.6608 6.9749 6.9749 7.0336 7.0336 8.5176 8.5176 8.5973 8.5973 8.7697 8.7697 8.9259 8.9259 9.4932 9.4932 k = 0.0184-0.0467-0.0849 ( 4687 PWs) bands (ev): -33.5390 -33.5390 -33.5389 -33.5389 -14.8209 -14.8209 -14.8146 -14.8146 -14.4680 -14.4680 -14.4604 -14.4604 -14.3958 -14.3958 -14.3957 -14.3957 -3.4294 -3.4294 -3.0208 -3.0208 1.3227 1.3227 3.1515 3.1515 5.0317 5.0317 6.5683 6.5683 6.6466 6.6466 6.8984 6.8984 7.0112 7.0112 8.5121 8.5121 8.5499 8.5499 8.7796 8.7796 9.0021 9.0021 9.5392 9.5392 k = 0.0245-0.0623-0.1133 ( 4689 PWs) bands (ev): -33.5390 -33.5390 -33.5388 -33.5388 -14.8211 -14.8211 -14.8149 -14.8149 -14.4682 -14.4682 -14.4606 -14.4606 -14.3964 -14.3964 -14.3964 -14.3964 -3.4198 -3.4198 -3.0124 -3.0124 1.3319 1.3319 3.1497 3.1497 5.0419 5.0419 6.4999 6.4999 6.6286 6.6286 6.7979 6.7979 6.9821 6.9821 8.4272 8.4272 8.5890 8.5890 8.7921 8.7921 9.0746 9.0746 9.5828 9.5828 k = 0.0307-0.0779-0.1416 ( 4691 PWs) bands (ev): -33.5388 -33.5388 -33.5387 -33.5387 -14.8214 -14.8214 -14.8152 -14.8152 -14.4685 -14.4685 -14.4609 -14.4609 -14.3973 -14.3973 -14.3972 -14.3972 -3.4076 -3.4076 -3.0016 -3.0016 1.3437 1.3437 3.1472 3.1472 5.0550 5.0550 6.4173 6.4173 6.6059 6.6059 6.6795 6.6795 6.9458 6.9458 8.3424 8.3424 8.6320 8.6320 8.8065 8.8065 9.1426 9.1426 9.6180 9.6181 k = 0.0368-0.0935-0.1699 ( 4698 PWs) bands (ev): -33.5387 -33.5387 -33.5386 -33.5386 -14.8217 -14.8217 -14.8156 -14.8156 -14.4688 -14.4688 -14.4613 -14.4613 -14.3983 -14.3983 -14.3983 -14.3983 -3.3926 -3.3926 -2.9884 -2.9884 1.3580 1.3580 3.1439 3.1439 5.0709 5.0709 6.3235 6.3235 6.5484 6.5484 6.5781 6.5781 6.9024 6.9024 8.2580 8.2580 8.6762 8.6762 8.8226 8.8226 9.2053 9.2053 9.6401 9.6405 k = 0.0429-0.1090-0.1982 ( 4702 PWs) bands (ev): -33.5386 -33.5386 -33.5384 -33.5384 -14.8221 -14.8221 -14.8161 -14.8161 -14.4692 -14.4692 -14.4616 -14.4616 -14.3995 -14.3995 -14.3995 -14.3995 -3.3749 -3.3749 -2.9728 -2.9728 1.3748 1.3748 3.1397 3.1397 5.0895 5.0895 6.2213 6.2213 6.4082 6.4082 6.5449 6.5449 6.8522 6.8522 8.1742 8.1742 8.7194 8.7194 8.8405 8.8405 9.2620 9.2620 9.6423 9.6423 k = 0.0491-0.1246-0.2265 ( 4706 PWs) bands (ev): -33.5384 -33.5384 -33.5382 -33.5382 -14.8226 -14.8226 -14.8166 -14.8166 -14.4696 -14.4696 -14.4621 -14.4621 -14.4009 -14.4009 -14.4008 -14.4008 -3.3545 -3.3545 -2.9549 -2.9549 1.3940 1.3940 3.1342 3.1342 5.1109 5.1109 6.1128 6.1128 6.2620 6.2620 6.5062 6.5062 6.7958 6.7958 8.0914 8.0914 8.7603 8.7603 8.8602 8.8602 9.3122 9.3122 9.6449 9.6449 k = 0.0552-0.1402-0.2548 ( 4706 PWs) bands (ev): -33.5382 -33.5382 -33.5380 -33.5380 -14.8231 -14.8231 -14.8172 -14.8172 -14.4701 -14.4701 -14.4626 -14.4626 -14.4024 -14.4024 -14.4023 -14.4023 -3.3315 -3.3315 -2.9345 -2.9345 1.4156 1.4156 3.1272 3.1272 5.1349 5.1349 5.9997 5.9997 6.1124 6.1124 6.4617 6.4617 6.7336 6.7336 8.0095 8.0095 8.7981 8.7981 8.8819 8.8819 9.3553 9.3553 9.6491 9.6491 k = 0.0613-0.1558-0.2831 ( 4704 PWs) bands (ev): -33.5380 -33.5380 -33.5378 -33.5378 -14.8236 -14.8236 -14.8179 -14.8179 -14.4706 -14.4706 -14.4632 -14.4632 -14.4040 -14.4040 -14.4039 -14.4039 -3.3057 -3.3057 -2.9117 -2.9117 1.4394 1.4394 3.1186 3.1186 5.1615 5.1615 5.8822 5.8822 5.9625 5.9625 6.4114 6.4114 6.6661 6.6661 7.9286 7.9286 8.8321 8.8321 8.9057 8.9057 9.3913 9.3913 9.6553 9.6553 k = 0.0675-0.1713-0.3115 ( 4698 PWs) bands (ev): -33.5377 -33.5377 -33.5376 -33.5376 -14.8242 -14.8242 -14.8186 -14.8186 -14.4712 -14.4712 -14.4639 -14.4639 -14.4057 -14.4057 -14.4056 -14.4056 -3.2773 -3.2773 -2.8866 -2.8866 1.4654 1.4654 3.1078 3.1078 5.1905 5.1905 5.7574 5.7574 5.8181 5.8181 6.3553 6.3553 6.5939 6.5939 7.8488 7.8488 8.8624 8.8624 8.9316 8.9316 9.4201 9.4201 9.6639 9.6639 k = 0.0736-0.1869-0.3398 ( 4704 PWs) bands (ev): -33.5375 -33.5375 -33.5373 -33.5373 -14.8249 -14.8249 -14.8194 -14.8194 -14.4718 -14.4718 -14.4646 -14.4646 -14.4076 -14.4076 -14.4075 -14.4075 -3.2463 -3.2463 -2.8592 -2.8592 1.4933 1.4933 3.0946 3.0946 5.2218 5.2218 5.6190 5.6190 5.6878 5.6878 6.2934 6.2934 6.5177 6.5177 7.7698 7.7698 8.8890 8.8890 8.9594 8.9594 9.4422 9.4422 9.6751 9.6751 k = 0.0797-0.2025-0.3681 ( 4708 PWs) bands (ev): -33.5372 -33.5372 -33.5370 -33.5370 -14.8257 -14.8257 -14.8203 -14.8203 -14.4726 -14.4726 -14.4654 -14.4654 -14.4096 -14.4096 -14.4094 -14.4094 -3.2126 -3.2126 -2.8293 -2.8293 1.5231 1.5231 3.0784 3.0784 5.2553 5.2553 5.4703 5.4703 5.5704 5.5704 6.2259 6.2259 6.4378 6.4378 7.6918 7.6918 8.9119 8.9119 8.9890 8.9890 9.4580 9.4580 9.6889 9.6889 k = 0.0859-0.2181-0.3964 ( 4712 PWs) bands (ev): -33.5369 -33.5369 -33.5368 -33.5368 -14.8265 -14.8265 -14.8212 -14.8212 -14.4733 -14.4733 -14.4662 -14.4662 -14.4116 -14.4116 -14.4115 -14.4115 -3.1763 -3.1763 -2.7972 -2.7972 1.5546 1.5546 3.0589 3.0589 5.2906 5.2906 5.3184 5.3184 5.4605 5.4605 6.1532 6.1532 6.3548 6.3548 7.6145 7.6145 8.9311 8.9311 9.0201 9.0201 9.4683 9.4683 9.7051 9.7051 k = 0.0920-0.2336-0.4247 ( 4716 PWs) bands (ev): -33.5366 -33.5366 -33.5364 -33.5364 -14.8274 -14.8274 -14.8222 -14.8222 -14.4741 -14.4741 -14.4671 -14.4671 -14.4137 -14.4137 -14.4136 -14.4136 -3.1374 -3.1374 -2.7627 -2.7627 1.5875 1.5875 3.0355 3.0355 5.1665 5.1665 5.3276 5.3276 5.3568 5.3568 6.0757 6.0757 6.2691 6.2691 7.5379 7.5379 8.9465 8.9465 9.0530 9.0530 9.4733 9.4733 9.7236 9.7236 k = 0.0981-0.2492-0.4530 ( 4720 PWs) bands (ev): -33.5363 -33.5363 -33.5361 -33.5361 -14.8283 -14.8283 -14.8233 -14.8233 -14.4750 -14.4750 -14.4681 -14.4681 -14.4159 -14.4159 -14.4157 -14.4157 -3.0959 -3.0959 -2.7258 -2.7258 1.6216 1.6216 3.0076 3.0076 5.0162 5.0162 5.2582 5.2582 5.3669 5.3669 5.9940 5.9940 6.1811 6.1811 7.4619 7.4619 8.9575 8.9575 9.0876 9.0876 9.4731 9.4731 9.7440 9.7440 k = 0.1043-0.2648-0.4813 ( 4718 PWs) bands (ev): -33.5359 -33.5359 -33.5358 -33.5358 -14.8292 -14.8292 -14.8244 -14.8244 -14.4759 -14.4759 -14.4691 -14.4691 -14.4181 -14.4181 -14.4179 -14.4179 -3.0519 -3.0519 -2.6867 -2.6867 1.6565 1.6565 2.9748 2.9748 4.8683 4.8683 5.1668 5.1668 5.4065 5.4065 5.9087 5.9087 6.0911 6.0911 7.3862 7.3862 8.9637 8.9637 9.1240 9.1240 9.4673 9.4673 9.7657 9.7657 k = 0.1104-0.2804-0.5097 ( 4728 PWs) bands (ev): -33.5356 -33.5356 -33.5354 -33.5354 -14.8303 -14.8303 -14.8256 -14.8256 -14.4769 -14.4769 -14.4702 -14.4702 -14.4203 -14.4203 -14.4201 -14.4201 -3.0053 -3.0053 -2.6452 -2.6452 1.6919 1.6919 2.9366 2.9366 4.7235 4.7235 5.0825 5.0825 5.4462 5.4462 5.8211 5.8211 5.9997 5.9997 7.3110 7.3110 8.9646 8.9646 9.1623 9.1623 9.4547 9.4547 9.7879 9.7879 k = 0.1166-0.2959-0.5380 ( 4722 PWs) bands (ev): -33.5352 -33.5352 -33.5351 -33.5351 -14.8313 -14.8313 -14.8268 -14.8268 -14.4779 -14.4779 -14.4713 -14.4713 -14.4225 -14.4225 -14.4223 -14.4223 -2.9563 -2.9563 -2.6015 -2.6015 1.7273 1.7273 2.8927 2.8927 4.5825 4.5825 5.0059 5.0059 5.4835 5.4835 5.7332 5.7332 5.9074 5.9074 7.2360 7.2360 8.9598 8.9598 9.2025 9.2025 9.4337 9.4337 9.8093 9.8094 k = 0.1227-0.3115-0.5663 ( 4728 PWs) bands (ev): -33.5349 -33.5349 -33.5347 -33.5347 -14.8325 -14.8325 -14.8281 -14.8281 -14.4789 -14.4789 -14.4725 -14.4725 -14.4248 -14.4248 -14.4246 -14.4246 -2.9047 -2.9047 -2.5556 -2.5556 1.7622 1.7622 2.8428 2.8428 4.4460 4.4460 4.9375 4.9375 5.5096 5.5096 5.6527 5.6527 5.8163 5.8163 7.1612 7.1612 8.9489 8.9489 9.2445 9.2445 9.4027 9.4027 9.7976 9.8055 k = 0.1288-0.3271-0.5946 ( 4728 PWs) bands (ev): -33.5345 -33.5345 -33.5344 -33.5344 -14.8336 -14.8336 -14.8295 -14.8295 -14.4800 -14.4800 -14.4738 -14.4738 -14.4270 -14.4270 -14.4268 -14.4268 -2.8507 -2.8507 -2.5074 -2.5074 1.7957 1.7957 2.7867 2.7867 4.3148 4.3148 4.8776 4.8776 5.4886 5.4886 5.6083 5.6083 5.7338 5.7338 7.0866 7.0866 8.9315 8.9315 9.2882 9.2882 9.3613 9.3613 9.7612 9.7612 k = 0.1350-0.3427-0.6229 ( 4732 PWs) bands (ev): -33.5341 -33.5341 -33.5340 -33.5340 -14.8348 -14.8348 -14.8308 -14.8308 -14.4810 -14.4810 -14.4751 -14.4751 -14.4293 -14.4293 -14.4290 -14.4290 -2.7943 -2.7943 -2.4569 -2.4569 1.8271 1.8271 2.7246 2.7246 4.1898 4.1898 4.8262 4.8262 5.4114 5.4114 5.5728 5.5728 5.6967 5.6967 7.0122 7.0122 8.9078 8.9078 9.3104 9.3104 9.3336 9.3336 9.7286 9.7286 k = 0.1411-0.3582-0.6512 ( 4730 PWs) bands (ev): -33.5338 -33.5338 -33.5336 -33.5336 -14.8360 -14.8360 -14.8322 -14.8322 -14.4821 -14.4821 -14.4764 -14.4764 -14.4315 -14.4315 -14.4311 -14.4311 -2.7356 -2.7356 -2.4043 -2.4043 1.8552 1.8552 2.6567 2.6567 4.0721 4.0721 4.7832 4.7832 5.3185 5.3185 5.4928 5.4928 5.7183 5.7183 6.9381 6.9381 8.8779 8.8779 9.2522 9.2522 9.3803 9.3803 9.6991 9.6991 k = 0.1472-0.3738-0.6795 ( 4728 PWs) bands (ev): -33.5334 -33.5334 -33.5332 -33.5332 -14.8373 -14.8373 -14.8336 -14.8336 -14.4833 -14.4833 -14.4777 -14.4777 -14.4337 -14.4337 -14.4333 -14.4333 -2.6744 -2.6744 -2.3495 -2.3495 1.8788 1.8788 2.5836 2.5836 3.9629 3.9629 4.7484 4.7484 5.2214 5.2214 5.3990 5.3990 5.7565 5.7565 6.8642 6.8642 8.8423 8.8423 9.1892 9.1892 9.4281 9.4281 9.6729 9.6729 k = 0.1534-0.3894-0.7079 ( 4740 PWs) bands (ev): -33.5330 -33.5330 -33.5329 -33.5329 -14.8386 -14.8386 -14.8351 -14.8351 -14.4844 -14.4844 -14.4791 -14.4791 -14.4359 -14.4359 -14.4354 -14.4354 -2.6110 -2.6110 -2.2926 -2.2926 1.8965 1.8965 2.5056 2.5056 3.8636 3.8636 4.7214 4.7214 5.1227 5.1227 5.3017 5.3017 5.7984 5.7984 6.7906 6.7906 8.8017 8.8017 9.1239 9.1239 9.4759 9.4759 9.6503 9.6503 k = 0.1595-0.4050-0.7362 ( 4740 PWs) bands (ev): -33.5326 -33.5326 -33.5325 -33.5325 -14.8399 -14.8399 -14.8365 -14.8365 -14.4856 -14.4856 -14.4804 -14.4804 -14.4380 -14.4380 -14.4374 -14.4374 -2.5453 -2.5453 -2.2335 -2.2335 1.9064 1.9064 2.4236 2.4236 3.7758 3.7758 4.7016 4.7016 5.0235 5.0235 5.2034 5.2034 5.8409 5.8409 6.7174 6.7174 8.7569 8.7569 9.0583 9.0583 9.5207 9.5207 9.6336 9.6336 k = 0.1656-0.4205-0.7645 ( 4744 PWs) bands (ev): -33.5323 -33.5323 -33.5321 -33.5321 -14.8412 -14.8412 -14.8380 -14.8380 -14.4867 -14.4867 -14.4818 -14.4818 -14.4401 -14.4401 -14.4395 -14.4395 -2.4774 -2.4774 -2.1724 -2.1724 1.9069 1.9069 2.3383 2.3383 3.7011 3.7011 4.6885 4.6885 4.9243 4.9243 5.1047 5.1047 5.8826 5.8826 6.6447 6.6447 8.7086 8.7086 8.9941 8.9941 9.5504 9.5504 9.6340 9.6340 k = 0.1718-0.4361-0.7928 ( 4750 PWs) bands (ev): -33.5319 -33.5319 -33.5318 -33.5318 -14.8425 -14.8425 -14.8395 -14.8395 -14.4878 -14.4878 -14.4831 -14.4831 -14.4422 -14.4422 -14.4415 -14.4415 -2.4073 -2.4073 -2.1093 -2.1093 1.8961 1.8961 2.2505 2.2505 3.6410 3.6410 4.6815 4.6815 4.8254 4.8254 5.0063 5.0063 5.9225 5.9225 6.5726 6.5726 8.6576 8.6576 8.9328 8.9328 9.5497 9.5497 9.6658 9.6658 k = 0.1779-0.4517-0.8211 ( 4738 PWs) bands (ev): -33.5315 -33.5315 -33.5314 -33.5314 -14.8437 -14.8437 -14.8409 -14.8409 -14.4888 -14.4888 -14.4844 -14.4844 -14.4442 -14.4442 -14.4434 -14.4434 -2.3352 -2.3352 -2.0442 -2.0442 1.8727 1.8727 2.1612 2.1612 3.5967 3.5967 4.6799 4.6799 4.7274 4.7274 4.9084 4.9084 5.9599 5.9599 6.5011 6.5011 8.6046 8.6046 8.8754 8.8754 9.5330 9.5330 9.7139 9.7139 k = 0.1840-0.4673-0.8494 ( 4732 PWs) bands (ev): -33.5312 -33.5312 -33.5310 -33.5310 -14.8450 -14.8450 -14.8423 -14.8423 -14.4899 -14.4899 -14.4857 -14.4857 -14.4462 -14.4462 -14.4453 -14.4453 -2.2610 -2.2610 -1.9771 -1.9771 1.8357 1.8357 2.0713 2.0713 3.5686 3.5686 4.6293 4.6293 4.6841 4.6841 4.8114 4.8114 5.9939 5.9939 6.4303 6.4303 8.5502 8.5502 8.8232 8.8232 9.5109 9.5109 9.7665 9.7665 k = 0.1902-0.4828-0.8777 ( 4732 PWs) bands (ev): -33.5308 -33.5308 -33.5307 -33.5307 -14.8462 -14.8462 -14.8437 -14.8437 -14.4908 -14.4908 -14.4870 -14.4870 -14.4481 -14.4481 -14.4471 -14.4471 -2.1848 -2.1848 -1.9081 -1.9081 1.7851 1.7851 1.9814 1.9814 3.5565 3.5565 4.5332 4.5332 4.6916 4.6916 4.7159 4.7159 6.0239 6.0239 6.3605 6.3605 8.4950 8.4950 8.7769 8.7769 9.4860 9.4860 9.8197 9.8197 k = 0.1963-0.4984-0.9061 ( 4736 PWs) bands (ev): -33.5305 -33.5305 -33.5303 -33.5303 -14.8475 -14.8475 -14.8451 -14.8451 -14.4918 -14.4918 -14.4881 -14.4881 -14.4500 -14.4500 -14.4490 -14.4490 -2.1067 -2.1067 -1.8374 -1.8374 1.7218 1.7218 1.8921 1.8921 3.5596 3.5596 4.4383 4.4383 4.6206 4.6206 4.7043 4.7043 6.0491 6.0491 6.2916 6.2916 8.4395 8.4395 8.7373 8.7373 9.4589 9.4589 9.8710 9.8710 k = 0.2024-0.5140-0.9344 ( 4732 PWs) bands (ev): -33.5301 -33.5301 -33.5300 -33.5300 -14.8487 -14.8487 -14.8464 -14.8464 -14.4927 -14.4927 -14.4893 -14.4893 -14.4519 -14.4519 -14.4508 -14.4508 -2.0267 -2.0267 -1.7648 -1.7648 1.6477 1.6477 1.8031 1.8031 3.5764 3.5764 4.3449 4.3449 4.5275 4.5275 4.7198 4.7198 6.0685 6.0685 6.2243 6.2243 8.3840 8.3840 8.7052 8.7052 9.4299 9.4299 9.9167 9.9167 k = 0.2086-0.5296-0.9627 ( 4736 PWs) bands (ev): -33.5298 -33.5298 -33.5297 -33.5297 -14.8498 -14.8498 -14.8477 -14.8477 -14.4935 -14.4935 -14.4903 -14.4903 -14.4538 -14.4538 -14.4526 -14.4526 -1.9451 -1.9451 -1.6906 -1.6906 1.5653 1.5653 1.7137 1.7137 3.6053 3.6053 4.2531 4.2531 4.4362 4.4362 4.7386 4.7386 6.0799 6.0799 6.1604 6.1604 8.3289 8.3289 8.6812 8.6812 9.3989 9.3989 9.9513 9.9513 k = 0.2147-0.5451-0.9910 ( 4738 PWs) bands (ev): -33.5295 -33.5295 -33.5294 -33.5294 -14.8510 -14.8510 -14.8490 -14.8490 -14.4943 -14.4943 -14.4913 -14.4913 -14.4556 -14.4556 -14.4544 -14.4544 -1.8618 -1.8618 -1.6148 -1.6148 1.4773 1.4773 1.6234 1.6234 3.6446 3.6446 4.1633 4.1633 4.3468 4.3468 4.7603 4.7603 6.0681 6.0681 6.1145 6.1145 8.2745 8.2745 8.6654 8.6654 9.3660 9.3660 9.9692 9.9692 k = 0.2208-0.5607-1.0193 ( 4740 PWs) bands (ev): -33.5292 -33.5292 -33.5291 -33.5291 -14.8520 -14.8520 -14.8501 -14.8501 -14.4949 -14.4949 -14.4922 -14.4922 -14.4574 -14.4574 -14.4561 -14.4561 -1.7769 -1.7769 -1.5374 -1.5374 1.3858 1.3858 1.5319 1.5319 3.6927 3.6927 4.0755 4.0755 4.2595 4.2595 4.7844 4.7844 6.0149 6.0149 6.1047 6.1047 8.2212 8.2212 8.6583 8.6583 9.3314 9.3314 9.9707 9.9707 k = 0.2270-0.5763-1.0476 ( 4736 PWs) bands (ev): -33.5289 -33.5289 -33.5288 -33.5288 -14.8530 -14.8530 -14.8512 -14.8512 -14.4955 -14.4955 -14.4930 -14.4930 -14.4592 -14.4592 -14.4578 -14.4578 -1.6907 -1.6907 -1.4586 -1.4586 1.2923 1.2923 1.4392 1.4392 3.7480 3.7480 3.9900 3.9900 4.1746 4.1746 4.8108 4.8108 5.9530 5.9530 6.0985 6.0985 8.1691 8.1691 8.6598 8.6598 9.2951 9.2951 9.9607 9.9607 k = 0.2331-0.5919-1.0759 ( 4748 PWs) bands (ev): -33.5287 -33.5287 -33.5286 -33.5286 -14.8540 -14.8540 -14.8523 -14.8523 -14.4960 -14.4960 -14.4937 -14.4937 -14.4609 -14.4609 -14.4595 -14.4595 -1.6031 -1.6031 -1.3785 -1.3785 1.1979 1.1979 1.3455 1.3455 3.8093 3.8093 3.9069 3.9069 4.0922 4.0922 4.8390 4.8390 5.8906 5.8906 6.0875 6.0875 8.1185 8.1185 8.6696 8.6696 9.2572 9.2572 9.9439 9.9439 k = 0.2392-0.6074-1.1042 ( 4746 PWs) bands (ev): -33.5284 -33.5284 -33.5283 -33.5283 -14.8548 -14.8548 -14.8533 -14.8533 -14.4964 -14.4964 -14.4943 -14.4943 -14.4626 -14.4626 -14.4612 -14.4612 -1.5144 -1.5144 -1.2973 -1.2973 1.1032 1.1032 1.2514 1.2514 3.8263 3.8263 3.8757 3.8757 4.0126 4.0126 4.8690 4.8690 5.8288 5.8288 6.0709 6.0709 8.0697 8.0697 8.6874 8.6874 9.2180 9.2180 9.9232 9.9232 k = 0.2454-0.6230-1.1326 ( 4748 PWs) bands (ev): -33.5282 -33.5282 -33.5281 -33.5281 -14.8557 -14.8557 -14.8542 -14.8542 -14.4967 -14.4967 -14.4948 -14.4948 -14.4643 -14.4643 -14.4628 -14.4628 -1.4248 -1.4248 -1.2149 -1.2149 1.0088 1.0088 1.1573 1.1573 3.7487 3.7487 3.9354 3.9354 3.9464 3.9464 4.9004 4.9004 5.7680 5.7680 6.0489 6.0489 8.0228 8.0228 8.7126 8.7126 9.1775 9.1775 9.9002 9.9002 k = 0.2515-0.6386-1.1609 ( 4752 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8564 -14.8564 -14.8550 -14.8550 -14.4968 -14.4968 -14.4952 -14.4952 -14.4660 -14.4660 -14.4645 -14.4645 -1.3343 -1.3343 -1.1317 -1.1317 0.9150 0.9150 1.0634 1.0634 3.6741 3.6741 3.8622 3.8622 4.0195 4.0195 4.9330 4.9330 5.7083 5.7083 6.0217 6.0217 7.9781 7.9781 8.7444 8.7444 9.1361 9.1361 9.8760 9.8760 k = 0.2576-0.6542-1.1892 ( 4754 PWs) bands (ev): -33.5278 -33.5278 -33.5277 -33.5277 -14.8571 -14.8571 -14.8558 -14.8558 -14.4969 -14.4969 -14.4955 -14.4955 -14.4677 -14.4677 -14.4661 -14.4661 -1.2432 -1.2432 -1.0478 -1.0478 0.8223 0.8223 0.9702 0.9702 3.6028 3.6028 3.7921 3.7921 4.0954 4.0954 4.9666 4.9666 5.6498 5.6498 5.9901 5.9901 7.9358 7.9358 8.7821 8.7821 9.0939 9.0939 9.8510 9.8510 k = 0.2638-0.6697-1.2175 ( 4760 PWs) bands (ev): -33.5276 -33.5276 -33.5275 -33.5275 -14.8577 -14.8577 -14.8565 -14.8565 -14.4969 -14.4969 -14.4957 -14.4957 -14.4693 -14.4693 -14.4677 -14.4677 -1.1518 -1.1518 -0.9632 -0.9632 0.7306 0.7306 0.8779 0.8779 3.5350 3.5350 3.7255 3.7255 4.1732 4.1732 5.0009 5.0009 5.5924 5.5924 5.9544 5.9544 7.8961 7.8961 8.8247 8.8247 9.0512 9.0512 9.8257 9.8257 k = 0.2699-0.6853-1.2458 ( 4766 PWs) bands (ev): -33.5274 -33.5274 -33.5273 -33.5273 -14.8583 -14.8583 -14.8571 -14.8571 -14.4968 -14.4968 -14.4957 -14.4957 -14.4709 -14.4709 -14.4692 -14.4692 -1.0602 -1.0602 -0.8784 -0.8784 0.6404 0.6404 0.7869 0.7869 3.4710 3.4710 3.6629 3.6629 4.2522 4.2522 5.0359 5.0359 5.5363 5.5363 5.9154 5.9154 7.8593 7.8593 8.8711 8.8711 9.0084 9.0084 9.8006 9.8006 k = 0.2760-0.7009-1.2741 ( 4762 PWs) bands (ev): -33.5272 -33.5272 -33.5272 -33.5272 -14.8587 -14.8587 -14.8576 -14.8576 -14.4965 -14.4965 -14.4956 -14.4956 -14.4724 -14.4724 -14.4707 -14.4707 -0.9688 -0.9688 -0.7934 -0.7934 0.5516 0.5516 0.6972 0.6972 3.4109 3.4109 3.6044 3.6044 4.3320 4.3320 5.0711 5.0711 5.4814 5.4814 5.8735 5.8735 7.8256 7.8256 8.9203 8.9203 8.9659 8.9659 9.7757 9.7757 k = 0.2822-0.7165-1.3024 ( 4762 PWs) bands (ev): -33.5271 -33.5271 -33.5270 -33.5270 -14.8591 -14.8591 -14.8581 -14.8581 -14.4962 -14.4962 -14.4955 -14.4955 -14.4740 -14.4740 -14.4722 -14.4722 -0.8778 -0.8778 -0.7085 -0.7085 0.4644 0.4644 0.6092 0.6092 3.3552 3.3552 3.5503 3.5503 4.4118 4.4118 5.1065 5.1065 5.4278 5.4278 5.8293 5.8293 7.7952 7.7952 8.9234 8.9234 8.9718 8.9718 9.7515 9.7515 k = 0.2883-0.7320-1.3308 ( 4766 PWs) bands (ev): -33.5270 -33.5270 -33.5269 -33.5269 -14.8595 -14.8595 -14.8585 -14.8585 -14.4957 -14.4957 -14.4952 -14.4952 -14.4755 -14.4755 -14.4737 -14.4737 -0.7876 -0.7876 -0.6241 -0.6241 0.3790 0.3790 0.5230 0.5230 3.3042 3.3042 3.5009 3.5009 4.4913 4.4913 5.1418 5.1418 5.3754 5.3754 5.7834 5.7834 7.7684 7.7684 8.8824 8.8824 9.0234 9.0234 9.7281 9.7281 k = 0.2944-0.7476-1.3591 ( 4754 PWs) bands (ev): -33.5269 -33.5269 -33.5268 -33.5268 -14.8597 -14.8597 -14.8588 -14.8588 -14.4952 -14.4952 -14.4947 -14.4947 -14.4769 -14.4769 -14.4751 -14.4751 -0.6986 -0.6986 -0.5403 -0.5403 0.2953 0.2953 0.4386 0.4386 3.2581 3.2581 3.4567 3.4567 4.5699 4.5699 5.1769 5.1769 5.3244 5.3244 5.7362 5.7362 7.7455 7.7455 8.8427 8.8427 9.0745 9.0745 9.7057 9.7057 k = 0.3006-0.7632-1.3874 ( 4758 PWs) bands (ev): -33.5268 -33.5268 -33.5267 -33.5267 -14.8599 -14.8599 -14.8591 -14.8591 -14.4946 -14.4946 -14.4942 -14.4942 -14.4783 -14.4783 -14.4764 -14.4764 -0.6111 -0.6111 -0.4576 -0.4576 0.2136 0.2136 0.3562 0.3562 3.2173 3.2173 3.4178 3.4178 4.6471 4.6471 5.2114 5.2114 5.2747 5.2747 5.6882 5.6882 7.7267 7.7267 8.8048 8.8048 9.1239 9.1239 9.6842 9.6842 k = 0.3067-0.7788-1.4157 ( 4760 PWs) bands (ev): -33.5267 -33.5267 -33.5267 -33.5267 -14.8601 -14.8601 -14.8593 -14.8593 -14.4940 -14.4940 -14.4936 -14.4936 -14.4797 -14.4797 -14.4777 -14.4777 -0.5256 -0.5256 -0.3762 -0.3762 0.1338 0.1338 0.2759 0.2759 3.1823 3.1823 3.3847 3.3847 4.7223 4.7223 5.2260 5.2260 5.2456 5.2456 5.6397 5.6397 7.7123 7.7123 8.7693 8.7693 9.1703 9.1703 9.6640 9.6640 k = 0.3128-0.7943-1.4440 ( 4762 PWs) bands (ev): -33.5267 -33.5267 -33.5266 -33.5266 -14.8602 -14.8602 -14.8595 -14.8595 -14.4934 -14.4934 -14.4928 -14.4928 -14.4809 -14.4809 -14.4788 -14.4788 -0.4425 -0.4425 -0.2966 -0.2966 0.0560 0.0560 0.1977 0.1977 3.1534 3.1534 3.3577 3.3577 4.7950 4.7950 5.1792 5.1792 5.2785 5.2785 5.5911 5.5911 7.7025 7.7025 8.7365 8.7365 9.2125 9.2125 9.6450 9.6450 k = 0.3190-0.8099-1.4723 ( 4762 PWs) bands (ev): -33.5266 -33.5266 -33.5266 -33.5266 -14.8603 -14.8603 -14.8596 -14.8596 -14.4929 -14.4929 -14.4921 -14.4921 -14.4819 -14.4819 -14.4798 -14.4798 -0.3622 -0.3622 -0.2192 -0.2192 -0.0196 -0.0196 0.1218 0.1218 3.1310 3.1310 3.3373 3.3373 4.8647 4.8647 5.1336 5.1336 5.3105 5.3105 5.5427 5.5427 7.6975 7.6975 8.7068 8.7068 9.2493 9.2493 9.6273 9.6273 k = 0.3251-0.8255-1.5006 ( 4760 PWs) bands (ev): -33.5266 -33.5266 -33.5265 -33.5265 -14.8603 -14.8603 -14.8597 -14.8597 -14.4925 -14.4925 -14.4915 -14.4915 -14.4827 -14.4827 -14.4805 -14.4805 -0.2853 -0.2853 -0.1443 -0.1443 -0.0931 -0.0931 0.0482 0.0482 3.1155 3.1155 3.3237 3.3237 4.9309 4.9309 5.0894 5.0894 5.3413 5.3413 5.4948 5.4948 7.6976 7.6976 8.6809 8.6809 9.2798 9.2798 9.6110 9.6110 k = 0.3313-0.8411-1.5290 ( 4760 PWs) bands (ev): -33.5266 -33.5266 -33.5265 -33.5265 -14.8603 -14.8603 -14.8597 -14.8597 -14.4922 -14.4922 -14.4912 -14.4912 -14.4831 -14.4831 -14.4809 -14.4809 -0.2121 -0.2121 -0.1645 -0.1645 -0.0725 -0.0725 -0.0231 -0.0231 3.1073 3.1073 3.3174 3.3174 4.9929 4.9929 5.0468 5.0468 5.3707 5.3707 5.4477 5.4477 7.7029 7.7029 8.6590 8.6590 9.3028 9.3028 9.5961 9.5961 k = 0.3374-0.8567-1.5573 ( 4764 PWs) bands (ev): -33.5266 -33.5266 -33.5265 -33.5265 -14.8603 -14.8603 -14.8597 -14.8597 -14.4923 -14.4923 -14.4913 -14.4913 -14.4829 -14.4829 -14.4809 -14.4809 -0.2336 -0.2336 -0.1431 -0.1431 -0.0922 -0.0922 -0.0038 -0.0038 3.1068 3.1068 3.3187 3.3187 5.0051 5.0051 5.0511 5.0511 5.3965 5.3965 5.4038 5.4038 7.7134 7.7134 8.6416 8.6416 9.3176 9.3176 9.5827 9.5827 k = 0.6626-0.7617-1.5012 ( 4764 PWs) bands (ev): -33.5266 -33.5266 -33.5265 -33.5265 -14.8603 -14.8603 -14.8597 -14.8597 -14.4923 -14.4923 -14.4913 -14.4913 -14.4829 -14.4829 -14.4809 -14.4809 -0.2336 -0.2336 -0.1431 -0.1431 -0.0922 -0.0922 -0.0038 -0.0038 3.1068 3.1068 3.3187 3.3187 5.0051 5.0051 5.0511 5.0511 5.3965 5.3965 5.4038 5.4038 7.7134 7.7134 8.6416 8.6416 9.3176 9.3176 9.5827 9.5827 k = 0.6566-0.7300-1.5012 ( 4764 PWs) bands (ev): -33.5266 -33.5266 -33.5266 -33.5266 -14.8603 -14.8603 -14.8597 -14.8597 -14.4926 -14.4926 -14.4918 -14.4918 -14.4822 -14.4822 -14.4805 -14.4805 -0.2992 -0.2992 -0.1576 -0.1576 -0.0798 -0.0798 0.0597 0.0597 3.1140 3.1140 3.3277 3.3277 4.9663 4.9663 5.1028 5.1028 5.3570 5.3570 5.4253 5.4253 7.7288 7.7288 8.6292 8.6292 9.3239 9.3239 9.5710 9.5710 k = 0.6506-0.6983-1.5012 ( 4760 PWs) bands (ev): -33.5266 -33.5266 -33.5266 -33.5266 -14.8602 -14.8602 -14.8597 -14.8597 -14.4932 -14.4932 -14.4925 -14.4925 -14.4812 -14.4812 -14.4797 -14.4797 -0.3627 -0.3627 -0.2206 -0.2206 -0.0211 -0.0211 0.1191 0.1191 3.1290 3.1290 3.3444 3.3444 4.9290 4.9290 5.1498 5.1498 5.3142 5.3142 5.4499 5.4499 7.7493 7.7493 8.6216 8.6216 9.3217 9.3217 9.5608 9.5608 k = 0.6445-0.6666-1.5012 ( 4748 PWs) bands (ev): -33.5267 -33.5267 -33.5266 -33.5266 -14.8601 -14.8601 -14.8596 -14.8596 -14.4939 -14.4939 -14.4934 -14.4934 -14.4798 -14.4798 -14.4786 -14.4786 -0.4238 -0.4238 -0.2813 -0.2813 0.0328 0.0328 0.1743 0.1743 3.1521 3.1521 3.3691 3.3691 4.8933 4.8933 5.1915 5.1915 5.2729 5.2729 5.4729 5.4729 7.7747 7.7747 8.6192 8.6192 9.3113 9.3113 9.5521 9.5521 k = 0.6385-0.6348-1.5012 ( 4754 PWs) bands (ev): -33.5267 -33.5267 -33.5267 -33.5267 -14.8601 -14.8601 -14.8595 -14.8595 -14.4948 -14.4948 -14.4944 -14.4944 -14.4783 -14.4783 -14.4773 -14.4773 -0.4827 -0.4827 -0.3397 -0.3397 0.0816 0.0816 0.2249 0.2249 3.1831 3.1831 3.4019 3.4019 4.8595 4.8595 5.2271 5.2271 5.2341 5.2341 5.4943 5.4943 7.8047 7.8047 8.6219 8.6219 9.2927 9.2927 9.5449 9.5449 k = 0.6325-0.6031-1.5012 ( 4754 PWs) bands (ev): -33.5268 -33.5268 -33.5267 -33.5267 -14.8600 -14.8600 -14.8595 -14.8595 -14.4958 -14.4958 -14.4954 -14.4954 -14.4767 -14.4767 -14.4758 -14.4758 -0.5392 -0.5392 -0.3956 -0.3956 0.1254 0.1254 0.2708 0.2708 3.2219 3.2219 3.4426 3.4426 4.8275 4.8275 5.1951 5.1951 5.2596 5.2596 5.5140 5.5140 7.8390 7.8390 8.6297 8.6297 9.2664 9.2664 9.5393 9.5393 k = 0.6265-0.5714-1.5012 ( 4744 PWs) bands (ev): -33.5268 -33.5268 -33.5268 -33.5268 -14.8599 -14.8599 -14.8594 -14.8594 -14.4968 -14.4968 -14.4965 -14.4965 -14.4749 -14.4749 -14.4742 -14.4742 -0.5934 -0.5934 -0.4491 -0.4491 0.1643 0.1643 0.3120 0.3120 3.2682 3.2682 3.4910 3.4910 4.7977 4.7977 5.1593 5.1593 5.2859 5.2859 5.5319 5.5319 7.8774 7.8774 8.6426 8.6426 9.2331 9.2331 9.5353 9.5353 k = 0.6205-0.5396-1.5012 ( 4744 PWs) bands (ev): -33.5269 -33.5269 -33.5268 -33.5268 -14.8598 -14.8598 -14.8593 -14.8593 -14.4978 -14.4978 -14.4975 -14.4975 -14.4731 -14.4731 -14.4725 -14.4725 -0.6452 -0.6452 -0.5002 -0.5002 0.1983 0.1983 0.3485 0.3485 3.3216 3.3216 3.5469 3.5469 4.7703 4.7703 5.1256 5.1256 5.3076 5.3076 5.5480 5.5480 7.9194 7.9194 8.6602 8.6602 9.1930 9.1930 9.5329 9.5329 k = 0.6144-0.5079-1.5012 ( 4748 PWs) bands (ev): -33.5269 -33.5269 -33.5269 -33.5269 -14.8597 -14.8597 -14.8593 -14.8593 -14.4988 -14.4988 -14.4985 -14.4985 -14.4713 -14.4713 -14.4708 -14.4708 -0.6947 -0.6947 -0.5488 -0.5488 0.2277 0.2277 0.3804 0.3804 3.3814 3.3814 3.6098 3.6098 4.7456 4.7456 5.0944 5.0944 5.3250 5.3250 5.5622 5.5622 7.9646 7.9646 8.6820 8.6820 9.1466 9.1466 9.5320 9.5320 k = 0.6084-0.4762-1.5012 ( 4746 PWs) bands (ev): -33.5270 -33.5270 -33.5270 -33.5270 -14.8596 -14.8596 -14.8592 -14.8592 -14.4998 -14.4998 -14.4995 -14.4995 -14.4694 -14.4694 -14.4690 -14.4690 -0.7417 -0.7417 -0.5950 -0.5950 0.2527 0.2527 0.4080 0.4080 3.4468 3.4468 3.6791 3.6791 4.7239 4.7239 5.0658 5.0658 5.3384 5.3384 5.5745 5.5745 8.0126 8.0126 8.7077 8.7077 9.0942 9.0942 9.5327 9.5327 k = 0.6024-0.4445-1.5012 ( 4748 PWs) bands (ev): -33.5271 -33.5271 -33.5270 -33.5270 -14.8595 -14.8595 -14.8591 -14.8591 -14.5008 -14.5008 -14.5005 -14.5005 -14.4676 -14.4676 -14.4671 -14.4671 -0.7862 -0.7862 -0.6388 -0.6388 0.2737 0.2737 0.4315 0.4315 3.5169 3.5169 3.7540 3.7540 4.7058 4.7058 5.0402 5.0402 5.3485 5.3485 5.5850 5.5850 8.0630 8.0630 8.7363 8.7363 9.0360 9.0360 9.5347 9.5347 k = 0.5964-0.4127-1.5012 ( 4746 PWs) bands (ev): -33.5272 -33.5272 -33.5271 -33.5271 -14.8594 -14.8594 -14.8591 -14.8591 -14.5017 -14.5017 -14.5014 -14.5014 -14.4657 -14.4657 -14.4653 -14.4653 -0.8283 -0.8283 -0.6801 -0.6801 0.2910 0.2910 0.4513 0.4513 3.5903 3.5903 3.8333 3.8333 4.6921 4.6921 5.0179 5.0179 5.3555 5.3555 5.5936 5.5936 8.1155 8.1155 8.7671 8.7671 8.9720 8.9720 9.5378 9.5378 k = 0.5903-0.3810-1.5012 ( 4748 PWs) bands (ev): -33.5272 -33.5272 -33.5272 -33.5272 -14.8594 -14.8594 -14.8590 -14.8590 -14.5026 -14.5026 -14.5023 -14.5023 -14.4638 -14.4638 -14.4635 -14.4635 -0.8680 -0.8680 -0.7189 -0.7189 0.3051 0.3051 0.4678 0.4678 3.6656 3.6656 3.9159 3.9159 4.6837 4.6837 4.9995 4.9995 5.3600 5.3600 5.6004 5.6004 8.1695 8.1695 8.7993 8.7993 8.9022 8.9022 9.5418 9.5418 k = 0.5843-0.3493-1.5012 ( 4748 PWs) bands (ev): -33.5273 -33.5273 -33.5273 -33.5273 -14.8593 -14.8593 -14.8590 -14.8590 -14.5034 -14.5034 -14.5032 -14.5032 -14.4620 -14.4620 -14.4618 -14.4618 -0.9051 -0.9051 -0.7552 -0.7552 0.3162 0.3162 0.4812 0.4812 3.7411 3.7411 4.0000 4.0000 4.6820 4.6820 4.9857 4.9857 5.3623 5.3623 5.6057 5.6057 8.2249 8.2249 8.8260 8.8260 8.8324 8.8324 9.5459 9.5459 k = 0.5783-0.3175-1.5012 ( 4746 PWs) bands (ev): -33.5274 -33.5274 -33.5273 -33.5273 -14.8593 -14.8593 -14.8590 -14.8590 -14.5042 -14.5042 -14.5040 -14.5040 -14.4603 -14.4603 -14.4600 -14.4600 -0.9398 -0.9398 -0.7891 -0.7891 0.3249 0.3249 0.4920 0.4920 3.8148 3.8148 4.0833 4.0833 4.6887 4.6887 4.9774 4.9774 5.3629 5.3629 5.6096 5.6096 8.2813 8.2813 8.7446 8.7446 8.8644 8.8644 9.5496 9.5496 k = 0.5723-0.2858-1.5012 ( 4746 PWs) bands (ev): -33.5275 -33.5275 -33.5274 -33.5274 -14.8592 -14.8592 -14.8589 -14.8589 -14.5050 -14.5050 -14.5047 -14.5047 -14.4586 -14.4586 -14.4584 -14.4584 -0.9719 -0.9719 -0.8204 -0.8204 0.3314 0.3314 0.5005 0.5005 3.8843 3.8843 4.1632 4.1632 4.7057 4.7057 4.9758 4.9758 5.3621 5.3621 5.6123 5.6123 8.3383 8.3383 8.6568 8.6568 8.8957 8.8957 9.4724 9.4724 k = 0.5663-0.2541-1.5012 ( 4746 PWs) bands (ev): -33.5275 -33.5275 -33.5275 -33.5275 -14.8592 -14.8592 -14.8589 -14.8589 -14.5057 -14.5057 -14.5054 -14.5054 -14.4570 -14.4570 -14.4568 -14.4568 -1.0015 -1.0015 -0.8493 -0.8493 0.3361 0.3361 0.5071 0.5071 3.9473 3.9473 4.2368 4.2368 4.7347 4.7347 4.9826 4.9826 5.3602 5.3602 5.6140 5.6140 8.3954 8.3954 8.5632 8.5632 8.9256 8.9256 9.3260 9.3260 k = 0.5602-0.2224-1.5012 ( 4746 PWs) bands (ev): -33.5276 -33.5276 -33.5276 -33.5276 -14.8591 -14.8591 -14.8589 -14.8589 -14.5063 -14.5063 -14.5061 -14.5061 -14.4555 -14.4555 -14.4553 -14.4553 -1.0286 -1.0286 -0.8757 -0.8757 0.3394 0.3394 0.5121 0.5121 4.0018 4.0018 4.3013 4.3013 4.7762 4.7762 5.0000 5.0000 5.3575 5.3575 5.6148 5.6148 8.4509 8.4510 8.4657 8.4657 8.9537 8.9537 9.1827 9.1827 k = 0.5542-0.1906-1.5012 ( 4748 PWs) bands (ev): -33.5277 -33.5277 -33.5276 -33.5276 -14.8591 -14.8591 -14.8589 -14.8589 -14.5069 -14.5069 -14.5067 -14.5067 -14.4540 -14.4540 -14.4539 -14.4539 -1.0531 -1.0531 -0.8995 -0.8995 0.3415 0.3415 0.5158 0.5158 4.0464 4.0464 4.3554 4.3554 4.8282 4.8282 5.0301 5.0301 5.3543 5.3543 5.6150 5.6150 8.3609 8.3609 8.5088 8.5088 8.9800 8.9800 9.0443 9.0444 k = 0.5482-0.1589-1.5012 ( 4752 PWs) bands (ev): -33.5277 -33.5277 -33.5277 -33.5277 -14.8591 -14.8591 -14.8589 -14.8589 -14.5074 -14.5074 -14.5072 -14.5072 -14.4527 -14.4527 -14.4526 -14.4526 -1.0751 -1.0751 -0.9209 -0.9209 0.3427 0.3427 0.5184 0.5184 4.0811 4.0811 4.3987 4.3987 4.8864 4.8864 5.0747 5.0747 5.3509 5.3509 5.6148 5.6148 8.2550 8.2550 8.5634 8.5634 8.9125 8.9125 9.0050 9.0050 k = 0.5422-0.1272-1.5012 ( 4754 PWs) bands (ev): -33.5278 -33.5278 -33.5277 -33.5277 -14.8591 -14.8591 -14.8589 -14.8589 -14.5079 -14.5079 -14.5077 -14.5077 -14.4516 -14.4516 -14.4514 -14.4514 -1.0945 -1.0945 -0.9398 -0.9398 0.3433 0.3433 0.5202 0.5202 4.1067 4.1067 4.4321 4.4321 4.9463 4.9463 5.1334 5.1334 5.3473 5.3473 5.6141 5.6141 8.1485 8.1485 8.6158 8.6158 8.7893 8.7893 9.0287 9.0287 k = 0.5361-0.0955-1.5012 ( 4750 PWs) bands (ev): -33.5278 -33.5278 -33.5278 -33.5278 -14.8591 -14.8591 -14.8589 -14.8589 -14.5083 -14.5083 -14.5082 -14.5082 -14.4505 -14.4505 -14.4504 -14.4504 -1.1113 -1.1113 -0.9561 -0.9561 0.3434 0.3434 0.5214 0.5214 4.1250 4.1250 4.4569 4.4569 5.0046 5.0046 5.2023 5.2023 5.3440 5.3440 5.6134 5.6134 8.0439 8.0439 8.6647 8.6647 8.6766 8.6766 9.0519 9.0519 k = 0.5301-0.0637-1.5012 ( 4752 PWs) bands (ev): -33.5279 -33.5279 -33.5278 -33.5278 -14.8591 -14.8591 -14.8589 -14.8589 -14.5086 -14.5086 -14.5085 -14.5085 -14.4496 -14.4496 -14.4495 -14.4495 -1.1255 -1.1255 -0.9699 -0.9699 0.3431 0.3431 0.5221 0.5221 4.1375 4.1375 4.4748 4.4748 5.0594 5.0594 5.2755 5.2755 5.3410 5.3410 5.6125 5.6125 7.9446 7.9446 8.5756 8.5756 8.7095 8.7095 9.0754 9.0754 k = 0.5241-0.0320-1.5012 ( 4742 PWs) bands (ev): -33.5279 -33.5279 -33.5279 -33.5279 -14.8590 -14.8590 -14.8589 -14.8589 -14.5089 -14.5089 -14.5088 -14.5088 -14.4489 -14.4489 -14.4488 -14.4488 -1.1372 -1.1372 -0.9813 -0.9813 0.3428 0.3428 0.5225 0.5225 4.1459 4.1459 4.4871 4.4871 5.1090 5.1090 5.3356 5.3356 5.3495 5.3495 5.6117 5.6117 7.8544 7.8544 8.4892 8.4892 8.7482 8.7482 9.0996 9.0996 k = 0.5181-0.0003-1.5012 ( 4748 PWs) bands (ev): -33.5279 -33.5279 -33.5279 -33.5279 -14.8590 -14.8590 -14.8589 -14.8589 -14.5091 -14.5091 -14.5090 -14.5090 -14.4483 -14.4483 -14.4482 -14.4482 -1.1462 -1.1462 -0.9901 -0.9901 0.3424 0.3424 0.5227 0.5227 4.1513 4.1513 4.4954 4.4954 5.1510 5.1510 5.3353 5.3353 5.4110 5.4110 5.6110 5.6110 7.7775 7.7775 8.4192 8.4192 8.7795 8.7795 9.1245 9.1245 k = 0.5120 0.0315-1.5012 ( 4744 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8590 -14.8590 -14.8589 -14.8589 -14.5093 -14.5093 -14.5092 -14.5092 -14.4478 -14.4478 -14.4478 -14.4478 -1.1527 -1.1527 -0.9964 -0.9964 0.3420 0.3420 0.5227 0.5227 4.1546 4.1546 4.5006 4.5006 5.1831 5.1831 5.3338 5.3338 5.4608 5.4608 5.6105 5.6105 7.7183 7.7183 8.3675 8.3675 8.8026 8.8026 9.1489 9.1489 k = 0.5060 0.0632-1.5012 ( 4734 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8590 -14.8590 -14.8589 -14.8589 -14.5094 -14.5094 -14.5093 -14.5093 -14.4476 -14.4476 -14.4475 -14.4475 -1.1566 -1.1566 -1.0001 -1.0001 0.3418 0.3418 0.5228 0.5228 4.1564 4.1564 4.5034 4.5034 5.2032 5.2032 5.3329 5.3329 5.4928 5.4928 5.6102 5.6102 7.6809 7.6809 8.3357 8.3357 8.8166 8.8166 9.1689 9.1689 k = 0.5000 0.0949-1.5012 ( 4732 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8590 -14.8590 -14.8589 -14.8589 -14.5094 -14.5094 -14.5093 -14.5093 -14.4475 -14.4475 -14.4474 -14.4474 -1.1579 -1.1579 -1.0014 -1.0014 0.3417 0.3417 0.5228 0.5228 4.1570 4.1570 4.5043 4.5043 5.2101 5.2101 5.3326 5.3326 5.5038 5.5038 5.6101 5.6101 7.6680 7.6680 8.3250 8.3250 8.8213 8.8213 9.1771 9.1771 k = 0.5000 0.0949-1.5012 ( 4732 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8590 -14.8590 -14.8589 -14.8589 -14.5094 -14.5094 -14.5093 -14.5093 -14.4475 -14.4475 -14.4474 -14.4474 -1.1579 -1.1579 -1.0014 -1.0014 0.3417 0.3417 0.5228 0.5228 4.1570 4.1570 4.5043 4.5043 5.2101 5.2101 5.3326 5.3326 5.5038 5.5038 5.6101 5.6101 7.6680 7.6680 8.3250 8.3250 8.8213 8.8213 9.1771 9.1771 k = 0.5271 0.1001-1.4918 ( 4728 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8590 -14.8590 -14.8589 -14.8589 -14.5094 -14.5094 -14.5093 -14.5093 -14.4475 -14.4475 -14.4474 -14.4474 -1.1582 -1.1582 -1.0017 -1.0017 0.3422 0.3422 0.5231 0.5231 4.1571 4.1571 4.5014 4.5014 5.2105 5.2105 5.3359 5.3359 5.5035 5.5035 5.6106 5.6106 7.6684 7.6684 8.3246 8.3246 8.8179 8.8179 9.1709 9.1709 k = 0.5542 0.1052-1.4825 ( 4733 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8590 -14.8590 -14.8588 -14.8588 -14.5095 -14.5095 -14.5092 -14.5092 -14.4476 -14.4476 -14.4473 -14.4473 -1.1592 -1.1592 -1.0026 -1.0026 0.3437 0.3437 0.5241 0.5241 4.1576 4.1576 4.4928 4.4928 5.2116 5.2116 5.3456 5.3456 5.5023 5.5023 5.6121 5.6121 7.6696 7.6696 8.3235 8.3235 8.8067 8.8067 9.1550 9.1550 k = 0.5813 0.1103-1.4731 ( 4740 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8591 -14.8591 -14.8588 -14.8588 -14.5095 -14.5095 -14.5091 -14.5091 -14.4477 -14.4477 -14.4473 -14.4473 -1.1608 -1.1608 -1.0041 -1.0041 0.3461 0.3461 0.5258 0.5258 4.1584 4.1584 4.4792 4.4792 5.2135 5.2135 5.3610 5.3610 5.5004 5.5004 5.6147 5.6147 7.6716 7.6716 8.3218 8.3218 8.7857 8.7857 9.1363 9.1363 k = 0.6084 0.1155-1.4638 ( 4740 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8591 -14.8591 -14.8587 -14.8587 -14.5096 -14.5096 -14.5091 -14.5091 -14.4477 -14.4477 -14.4472 -14.4472 -1.1630 -1.1630 -1.0062 -1.0062 0.3495 0.3495 0.5282 0.5282 4.1593 4.1593 4.4614 4.4614 5.2160 5.2160 5.3812 5.3812 5.4978 5.4978 5.6186 5.6186 7.6744 7.6744 8.3198 8.3198 8.7529 8.7529 9.1212 9.1212 k = 0.6355 0.1206-1.4544 ( 4742 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8591 -14.8591 -14.8587 -14.8587 -14.5096 -14.5096 -14.5090 -14.5090 -14.4477 -14.4477 -14.4472 -14.4472 -1.1658 -1.1658 -1.0089 -1.0089 0.3538 0.3538 0.5313 0.5313 4.1601 4.1601 4.4404 4.4404 5.2193 5.2193 5.4050 5.4050 5.4946 5.4946 5.6240 5.6240 7.6779 7.6779 8.3175 8.3175 8.7081 8.7081 9.1137 9.1137 k = 0.6626 0.1258-1.4450 ( 4736 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8591 -14.8591 -14.8586 -14.8586 -14.5097 -14.5097 -14.5089 -14.5089 -14.4478 -14.4478 -14.4471 -14.4471 -1.1692 -1.1692 -1.0121 -1.0121 0.3591 0.3591 0.5350 0.5350 4.1607 4.1607 4.4175 4.4175 5.2231 5.2231 5.4309 5.4309 5.4909 5.4909 5.6312 5.6312 7.6823 7.6823 8.3151 8.3151 8.6536 8.6536 9.1139 9.1139 k = 0.6626 0.1258-1.4450 ( 4736 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8591 -14.8591 -14.8586 -14.8586 -14.5097 -14.5097 -14.5089 -14.5089 -14.4478 -14.4478 -14.4471 -14.4471 -1.1692 -1.1692 -1.0121 -1.0121 0.3591 0.3591 0.5350 0.5350 4.1607 4.1607 4.4175 4.4175 5.2231 5.2231 5.4309 5.4309 5.4909 5.4909 5.6312 5.6312 7.6823 7.6823 8.3151 8.3151 8.6536 8.6536 9.1139 9.1139 k = 0.6591 0.1251-1.4124 ( 4745 PWs) bands (ev): -33.5280 -33.5280 -33.5280 -33.5280 -14.8589 -14.8589 -14.8584 -14.8584 -14.5094 -14.5094 -14.5087 -14.5087 -14.4477 -14.4477 -14.4471 -14.4471 -1.1958 -1.1958 -1.0344 -1.0344 0.3881 0.3881 0.5653 0.5653 4.1495 4.1495 4.4170 4.4170 5.2260 5.2260 5.4173 5.4173 5.4952 5.4952 5.6474 5.6474 7.6938 7.6938 8.3312 8.3312 8.6862 8.6862 9.0966 9.0966 k = 0.6555 0.1244-1.3798 ( 4747 PWs) bands (ev): -33.5281 -33.5281 -33.5281 -33.5281 -14.8586 -14.8586 -14.8581 -14.8581 -14.5090 -14.5090 -14.5084 -14.5084 -14.4476 -14.4476 -14.4470 -14.4470 -1.2350 -1.2350 -1.0704 -1.0704 0.4345 0.4345 0.6112 0.6112 4.1285 4.1285 4.4091 4.4091 5.2311 5.2311 5.4187 5.4187 5.5017 5.5017 5.6688 5.6688 7.7053 7.7053 8.3478 8.3478 8.7226 8.7226 9.0789 9.0789 k = 0.6520 0.1238-1.3471 ( 4751 PWs) bands (ev): -33.5282 -33.5282 -33.5281 -33.5281 -14.8582 -14.8582 -14.8577 -14.8577 -14.5085 -14.5085 -14.5079 -14.5079 -14.4474 -14.4474 -14.4469 -14.4469 -1.2846 -1.2846 -1.1181 -1.1181 0.4959 0.4959 0.6707 0.6707 4.1004 4.1004 4.3919 4.3919 5.2385 5.2385 5.4348 5.4348 5.5102 5.5102 5.6952 5.6952 7.7168 7.7168 8.3649 8.3649 8.7623 8.7623 9.0608 9.0608 k = 0.6485 0.1231-1.3145 ( 4749 PWs) bands (ev): -33.5283 -33.5283 -33.5283 -33.5283 -14.8576 -14.8576 -14.8572 -14.8572 -14.5079 -14.5079 -14.5073 -14.5073 -14.4472 -14.4472 -14.4467 -14.4467 -1.3423 -1.3423 -1.1749 -1.1749 0.5696 0.5696 0.7417 0.7417 4.0672 4.0672 4.3656 4.3656 5.2482 5.2482 5.4637 5.4637 5.5208 5.5208 5.7265 5.7265 7.7283 7.7283 8.3827 8.3827 8.8048 8.8048 9.0429 9.0429 k = 0.6449 0.1224-1.2819 ( 4749 PWs) bands (ev): -33.5284 -33.5284 -33.5284 -33.5284 -14.8570 -14.8570 -14.8565 -14.8565 -14.5071 -14.5071 -14.5065 -14.5065 -14.4469 -14.4469 -14.4464 -14.4464 -1.4063 -1.4063 -1.2387 -1.2387 0.6529 0.6529 0.8222 0.8222 4.0306 4.0306 4.3315 4.3315 5.2601 5.2601 5.5024 5.5024 5.5337 5.5337 5.7627 5.7627 7.7398 7.7398 8.4014 8.4014 8.8494 8.8494 9.0256 9.0256 k = 0.6414 0.1218-1.2492 ( 4747 PWs) bands (ev): -33.5286 -33.5286 -33.5286 -33.5286 -14.8562 -14.8562 -14.8557 -14.8557 -14.5063 -14.5063 -14.5056 -14.5056 -14.4466 -14.4466 -14.4461 -14.4461 -1.4748 -1.4748 -1.3074 -1.3074 0.7438 0.7438 0.9105 0.9105 3.9915 3.9915 4.2918 4.2918 5.2742 5.2742 5.5431 5.5431 5.5539 5.5539 5.8037 5.8037 7.7513 7.7513 8.4210 8.4210 8.8947 8.8947 9.0102 9.0102 k = 0.6379 0.1211-1.2166 ( 4739 PWs) bands (ev): -33.5288 -33.5288 -33.5287 -33.5287 -14.8554 -14.8554 -14.8548 -14.8548 -14.5053 -14.5053 -14.5046 -14.5046 -14.4462 -14.4462 -14.4457 -14.4457 -1.5466 -1.5466 -1.3796 -1.3796 0.8404 0.8404 1.0051 1.0051 3.9510 3.9510 4.2484 4.2484 5.2905 5.2905 5.5630 5.5630 5.6012 5.6012 5.8496 5.8496 7.7627 7.7627 8.4415 8.4415 8.9361 8.9361 9.0017 9.0017 k = 0.6343 0.1204-1.1840 ( 4732 PWs) bands (ev): -33.5290 -33.5290 -33.5289 -33.5289 -14.8544 -14.8544 -14.8539 -14.8539 -14.5042 -14.5042 -14.5034 -14.5034 -14.4457 -14.4457 -14.4453 -14.4453 -1.6206 -1.6206 -1.4539 -1.4539 0.9411 0.9411 1.1048 1.1048 3.9099 3.9099 4.2033 4.2033 5.3090 5.3090 5.5817 5.5817 5.6539 5.6539 5.9004 5.9004 7.7740 7.7740 8.4628 8.4628 8.9537 8.9537 9.0200 9.0200 k = 0.6308 0.1197-1.1513 ( 4735 PWs) bands (ev): -33.5292 -33.5292 -33.5292 -33.5292 -14.8534 -14.8534 -14.8528 -14.8528 -14.5030 -14.5030 -14.5022 -14.5022 -14.4452 -14.4452 -14.4448 -14.4448 -1.6959 -1.6959 -1.5296 -1.5296 1.0446 1.0446 1.2084 1.2084 3.8690 3.8690 4.1581 4.1581 5.3297 5.3297 5.6021 5.6021 5.7073 5.7073 5.9557 5.9557 7.7853 7.7853 8.4849 8.4849 8.9481 8.9481 9.0647 9.0647 k = 0.6273 0.1191-1.1187 ( 4739 PWs) bands (ev): -33.5294 -33.5294 -33.5294 -33.5294 -14.8523 -14.8523 -14.8517 -14.8517 -14.5017 -14.5017 -14.5009 -14.5009 -14.4447 -14.4447 -14.4443 -14.4443 -1.7718 -1.7718 -1.6058 -1.6058 1.1496 1.1496 1.3148 1.3148 3.8291 3.8291 4.1140 4.1140 5.3525 5.3525 5.6244 5.6244 5.7602 5.7602 6.0150 6.0150 7.7966 7.7966 8.5075 8.5075 8.9389 8.9389 9.1165 9.1165 k = 0.6237 0.1184-1.0861 ( 4738 PWs) bands (ev): -33.5297 -33.5297 -33.5297 -33.5297 -14.8511 -14.8511 -14.8505 -14.8505 -14.5003 -14.5003 -14.4995 -14.4995 -14.4441 -14.4441 -14.4437 -14.4437 -1.8477 -1.8477 -1.6821 -1.6821 1.2551 1.2551 1.4231 1.4231 3.7911 3.7911 4.0725 4.0725 5.3774 5.3774 5.6485 5.6485 5.8120 5.8120 6.0773 6.0773 7.8080 7.8080 8.5303 8.5303 8.9311 8.9311 9.1707 9.1707 k = 0.6202 0.1177-1.0534 ( 4734 PWs) bands (ev): -33.5300 -33.5300 -33.5299 -33.5299 -14.8499 -14.8499 -14.8492 -14.8492 -14.4989 -14.4989 -14.4980 -14.4980 -14.4434 -14.4434 -14.4429 -14.4429 -1.9233 -1.9233 -1.7578 -1.7578 1.3601 1.3601 1.5321 1.5321 3.7560 3.7560 4.0345 4.0345 5.4045 5.4045 5.6745 5.6745 5.8627 5.8627 6.1418 6.1418 7.8196 7.8196 8.5529 8.5529 8.9260 8.9260 9.2262 9.2262 k = 0.6167 0.1171-1.0208 ( 4730 PWs) bands (ev): -33.5302 -33.5302 -33.5302 -33.5302 -14.8486 -14.8486 -14.8479 -14.8479 -14.4973 -14.4973 -14.4964 -14.4964 -14.4426 -14.4426 -14.4422 -14.4422 -1.9982 -1.9982 -1.8328 -1.8328 1.4633 1.4633 1.6406 1.6406 3.7250 3.7250 4.0013 4.0013 5.4335 5.4335 5.7023 5.7023 5.9122 5.9122 6.2071 6.2071 7.8318 7.8318 8.5748 8.5748 8.9247 8.9247 9.2822 9.2822 k = 0.6131 0.1164-0.9882 ( 4727 PWs) bands (ev): -33.5306 -33.5306 -33.5305 -33.5305 -14.8473 -14.8473 -14.8465 -14.8465 -14.4958 -14.4958 -14.4948 -14.4948 -14.4417 -14.4417 -14.4413 -14.4413 -2.0721 -2.0721 -1.9067 -1.9067 1.5636 1.5636 1.7474 1.7474 3.6994 3.6994 3.9738 3.9738 5.4647 5.4647 5.7318 5.7318 5.9607 5.9607 6.2722 6.2722 7.8450 7.8450 8.5954 8.5954 8.9278 8.9278 9.3384 9.3384 k = 0.6096 0.1157-0.9555 ( 4721 PWs) bands (ev): -33.5309 -33.5309 -33.5309 -33.5309 -14.8459 -14.8459 -14.8451 -14.8451 -14.4941 -14.4941 -14.4931 -14.4931 -14.4408 -14.4408 -14.4403 -14.4403 -2.1448 -2.1448 -1.9793 -1.9793 1.6598 1.6598 1.8509 1.8509 3.6808 3.6808 3.9533 3.9533 5.4978 5.4978 5.7630 5.7630 6.0083 6.0083 6.3360 6.3360 7.8594 7.8594 8.6143 8.6143 8.9359 8.9359 9.3944 9.3944 k = 0.6061 0.1150-0.9229 ( 4720 PWs) bands (ev): -33.5312 -33.5312 -33.5312 -33.5312 -14.8445 -14.8445 -14.8437 -14.8437 -14.4925 -14.4925 -14.4914 -14.4914 -14.4397 -14.4397 -14.4393 -14.4393 -2.2161 -2.2161 -2.0504 -2.0504 1.7507 1.7507 1.9494 1.9494 3.6709 3.6709 3.9411 3.9411 5.5328 5.5328 5.7960 5.7960 6.0550 6.0550 6.3976 6.3976 7.8757 7.8757 8.6309 8.6309 8.9495 8.9495 9.4420 9.4422 k = 0.6025 0.1144-0.8903 ( 4722 PWs) bands (ev): -33.5315 -33.5315 -33.5315 -33.5315 -14.8431 -14.8431 -14.8423 -14.8423 -14.4908 -14.4908 -14.4897 -14.4897 -14.4386 -14.4386 -14.4381 -14.4381 -2.2858 -2.2858 -2.1199 -2.1199 1.8347 1.8347 2.0409 2.0409 3.6718 3.6718 3.9384 3.9384 5.5697 5.5697 5.8305 5.8305 6.1008 6.1008 6.4561 6.4561 7.8945 7.8945 8.6451 8.6451 8.9686 8.9686 9.4490 9.4490 k = 0.5990 0.1137-0.8576 ( 4731 PWs) bands (ev): -33.5319 -33.5319 -33.5319 -33.5319 -14.8417 -14.8417 -14.8409 -14.8409 -14.4892 -14.4892 -14.4881 -14.4881 -14.4374 -14.4374 -14.4369 -14.4369 -2.3538 -2.3538 -2.1877 -2.1877 1.9106 1.9106 2.1234 2.1234 3.6852 3.6852 3.9464 3.9464 5.6085 5.6085 5.8666 5.8666 6.1457 6.1457 6.5107 6.5107 7.9164 7.9164 8.6570 8.6570 8.9932 8.9932 9.4554 9.4554 k = 0.5954 0.1130-0.8250 ( 4729 PWs) bands (ev): -33.5323 -33.5323 -33.5323 -33.5323 -14.8402 -14.8402 -14.8394 -14.8394 -14.4875 -14.4875 -14.4864 -14.4864 -14.4361 -14.4361 -14.4355 -14.4355 -2.4200 -2.4200 -2.2536 -2.2536 1.9772 1.9772 2.1953 2.1953 3.7132 3.7132 3.9665 3.9665 5.6491 5.6491 5.9042 5.9042 6.1896 6.1896 6.5608 6.5608 7.9419 7.9419 8.6671 8.6671 9.0227 9.0227 9.4614 9.4614 k = 0.5919 0.1124-0.7924 ( 4727 PWs) bands (ev): -33.5326 -33.5326 -33.5326 -33.5326 -14.8388 -14.8388 -14.8380 -14.8380 -14.4859 -14.4859 -14.4847 -14.4847 -14.4346 -14.4346 -14.4341 -14.4341 -2.4843 -2.4843 -2.3175 -2.3175 2.0334 2.0334 2.2552 2.2552 3.7569 3.7569 3.9995 3.9995 5.6914 5.6914 5.9432 5.9432 6.2323 6.2323 6.6058 6.6058 7.9717 7.9717 8.6760 8.6760 9.0566 9.0566 9.4666 9.4666 k = 0.5884 0.1117-0.7597 ( 4724 PWs) bands (ev): -33.5330 -33.5330 -33.5330 -33.5330 -14.8374 -14.8374 -14.8366 -14.8366 -14.4842 -14.4842 -14.4831 -14.4831 -14.4331 -14.4331 -14.4325 -14.4325 -2.5465 -2.5465 -2.3794 -2.3794 2.0788 2.0788 2.3024 2.3024 3.8167 3.8167 4.0459 4.0459 5.7353 5.7353 5.9835 5.9835 6.2737 6.2737 6.6455 6.6455 8.0060 8.0060 8.6842 8.6842 9.0941 9.0941 9.4709 9.4709 k = 0.5848 0.1110-0.7271 ( 4728 PWs) bands (ev): -33.5334 -33.5334 -33.5334 -33.5334 -14.8360 -14.8360 -14.8352 -14.8352 -14.4827 -14.4827 -14.4815 -14.4815 -14.4314 -14.4314 -14.4309 -14.4309 -2.6067 -2.6067 -2.4392 -2.4392 2.1134 2.1134 2.3373 2.3373 3.8924 3.8924 4.1060 4.1060 5.7808 5.7808 6.0250 6.0250 6.3137 6.3137 6.6796 6.6796 8.0451 8.0451 8.6926 8.6926 9.1347 9.1347 9.4742 9.4742 k = 0.5813 0.1103-0.6945 ( 4725 PWs) bands (ev): -33.5337 -33.5337 -33.5337 -33.5337 -14.8346 -14.8346 -14.8338 -14.8338 -14.4811 -14.4811 -14.4800 -14.4800 -14.4297 -14.4297 -14.4291 -14.4291 -2.6648 -2.6648 -2.4969 -2.4969 2.1376 2.1376 2.3608 2.3608 3.9827 3.9827 4.1792 4.1792 5.8277 5.8277 6.0676 6.0676 6.3520 6.3520 6.7082 6.7082 8.0891 8.0891 8.7016 8.7016 9.1776 9.1776 9.4762 9.4762 k = 0.5778 0.1097-0.6618 ( 4727 PWs) bands (ev): -33.5341 -33.5341 -33.5341 -33.5341 -14.8333 -14.8333 -14.8324 -14.8324 -14.4797 -14.4797 -14.4785 -14.4785 -14.4279 -14.4279 -14.4273 -14.4273 -2.7207 -2.7207 -2.5524 -2.5524 2.1523 2.1523 2.3743 2.3743 4.0857 4.0857 4.2648 4.2648 5.8760 5.8760 6.1113 6.1113 6.3886 6.3886 6.7315 6.7315 8.1377 8.1377 8.7119 8.7119 9.2223 9.2223 9.4768 9.4768 k = 0.5742 0.1090-0.6292 ( 4729 PWs) bands (ev): -33.5345 -33.5345 -33.5345 -33.5345 -14.8320 -14.8320 -14.8312 -14.8312 -14.4783 -14.4783 -14.4771 -14.4771 -14.4260 -14.4260 -14.4254 -14.4254 -2.7743 -2.7743 -2.6057 -2.6057 2.1589 2.1589 2.3796 2.3796 4.1995 4.1995 4.3617 4.3617 5.9255 5.9255 6.1557 6.1557 6.4232 6.4232 6.7498 6.7498 8.1908 8.1908 8.7238 8.7238 9.2684 9.2684 9.4758 9.4758 k = 0.5707 0.1083-0.5966 ( 4732 PWs) bands (ev): -33.5348 -33.5348 -33.5348 -33.5348 -14.8307 -14.8307 -14.8299 -14.8299 -14.4769 -14.4769 -14.4758 -14.4758 -14.4240 -14.4240 -14.4235 -14.4235 -2.8257 -2.8257 -2.6566 -2.6566 2.1585 2.1585 2.3783 2.3783 4.3222 4.3222 4.4687 4.4687 5.9762 5.9762 6.2009 6.2009 6.4556 6.4556 6.7636 6.7636 8.2478 8.2478 8.7379 8.7379 9.3153 9.3153 9.4732 9.4732 k = 0.5672 0.1077-0.5639 ( 4734 PWs) bands (ev): -33.5352 -33.5352 -33.5352 -33.5352 -14.8295 -14.8295 -14.8287 -14.8287 -14.4757 -14.4757 -14.4746 -14.4746 -14.4220 -14.4220 -14.4215 -14.4215 -2.8747 -2.8747 -2.7053 -2.7053 2.1526 2.1526 2.3717 2.3717 4.4519 4.4519 4.5846 4.5846 6.0278 6.0278 6.2467 6.2467 6.4859 6.4859 6.7734 6.7734 8.3081 8.3081 8.7544 8.7544 9.3625 9.3625 9.4687 9.4687 k = 0.5636 0.1070-0.5313 ( 4730 PWs) bands (ev): -33.5355 -33.5355 -33.5355 -33.5355 -14.8284 -14.8284 -14.8275 -14.8275 -14.4745 -14.4745 -14.4734 -14.4734 -14.4199 -14.4199 -14.4194 -14.4194 -2.9214 -2.9214 -2.7516 -2.7516 2.1425 2.1425 2.3612 2.3612 4.5870 4.5870 4.7082 4.7082 6.0802 6.0802 6.2927 6.2927 6.5140 6.5140 6.7798 6.7798 8.3710 8.3710 8.7737 8.7737 9.4093 9.4093 9.4624 9.4624 k = 0.5601 0.1063-0.4987 ( 4718 PWs) bands (ev): -33.5359 -33.5359 -33.5359 -33.5359 -14.8272 -14.8272 -14.8264 -14.8264 -14.4733 -14.4733 -14.4722 -14.4722 -14.4178 -14.4178 -14.4173 -14.4173 -2.9657 -2.9657 -2.7955 -2.7955 2.1291 2.1291 2.3478 2.3478 4.7262 4.7262 4.8382 4.8382 6.1333 6.1333 6.3390 6.3390 6.5396 6.5396 6.7833 6.7833 8.4357 8.4357 8.7961 8.7961 9.4507 9.4507 9.4587 9.4587 k = 0.5566 0.1056-0.4660 ( 4711 PWs) bands (ev): -33.5362 -33.5362 -33.5362 -33.5362 -14.8262 -14.8262 -14.8253 -14.8253 -14.4722 -14.4722 -14.4712 -14.4712 -14.4157 -14.4157 -14.4152 -14.4152 -3.0076 -3.0076 -2.8371 -2.8371 2.1135 2.1135 2.3324 2.3324 4.8683 4.8683 4.9736 4.9736 6.1867 6.1867 6.3851 6.3851 6.5630 6.5630 6.7845 6.7845 8.5011 8.5011 8.8219 8.8219 9.4431 9.4431 9.5002 9.5002 k = 0.5530 0.1050-0.4334 ( 4714 PWs) bands (ev): -33.5365 -33.5365 -33.5365 -33.5365 -14.8252 -14.8252 -14.8244 -14.8244 -14.4713 -14.4713 -14.4703 -14.4703 -14.4137 -14.4137 -14.4132 -14.4132 -3.0470 -3.0470 -2.8762 -2.8762 2.0963 2.0963 2.3157 2.3157 5.0121 5.0121 5.1133 5.1133 6.2403 6.2403 6.4308 6.4308 6.5840 6.5840 6.7839 6.7839 8.5661 8.5661 8.8515 8.8515 9.4310 9.4310 9.5415 9.5415 k = 0.5495 0.1043-0.4008 ( 4710 PWs) bands (ev): -33.5368 -33.5368 -33.5368 -33.5368 -14.8242 -14.8242 -14.8234 -14.8234 -14.4704 -14.4704 -14.4694 -14.4694 -14.4116 -14.4116 -14.4111 -14.4111 -3.0840 -3.0840 -2.9129 -2.9129 2.0784 2.0784 2.2982 2.2982 5.1570 5.1570 5.2562 5.2562 6.2938 6.2938 6.4760 6.4760 6.6029 6.6029 6.7818 6.7818 8.6294 8.6294 8.8854 8.8854 9.4169 9.4169 9.5784 9.5784 k = 0.5460 0.1036-0.3681 ( 4705 PWs) bands (ev): -33.5371 -33.5371 -33.5371 -33.5371 -14.8233 -14.8233 -14.8225 -14.8225 -14.4695 -14.4695 -14.4686 -14.4686 -14.4096 -14.4096 -14.4092 -14.4092 -3.1185 -3.1185 -2.9471 -2.9471 2.0602 2.0602 2.2804 2.2804 5.3021 5.3021 5.4012 5.4012 6.3470 6.3470 6.5201 6.5201 6.6197 6.6197 6.7787 6.7787 8.6893 8.6893 8.9239 8.9239 9.4012 9.4012 9.6083 9.6083 k = 0.5424 0.1030-0.3355 ( 4698 PWs) bands (ev): -33.5374 -33.5374 -33.5374 -33.5374 -14.8225 -14.8225 -14.8217 -14.8217 -14.4687 -14.4687 -14.4678 -14.4678 -14.4077 -14.4077 -14.4072 -14.4072 -3.1506 -3.1506 -2.9789 -2.9789 2.0421 2.0421 2.2628 2.2628 5.4466 5.4466 5.5471 5.5471 6.3995 6.3995 6.5629 6.5629 6.6346 6.6346 6.7750 6.7750 8.7443 8.7443 8.9674 8.9674 9.3839 9.3839 9.6277 9.6277 k = 0.5389 0.1023-0.3029 ( 4697 PWs) bands (ev): -33.5376 -33.5376 -33.5376 -33.5376 -14.8217 -14.8217 -14.8210 -14.8210 -14.4680 -14.4680 -14.4671 -14.4671 -14.4058 -14.4058 -14.4054 -14.4054 -3.1801 -3.1801 -3.0082 -3.0082 2.0245 2.0245 2.2457 2.2457 5.5899 5.5899 5.6926 5.6926 6.4509 6.4509 6.6041 6.6041 6.6478 6.6478 6.7711 6.7711 8.7932 8.7932 9.0157 9.0157 9.3655 9.3655 9.6315 9.6315 k = 0.5354 0.1016-0.2702 ( 4699 PWs) bands (ev): -33.5379 -33.5379 -33.5379 -33.5379 -14.8211 -14.8211 -14.8203 -14.8203 -14.4674 -14.4674 -14.4665 -14.4665 -14.4041 -14.4041 -14.4037 -14.4037 -3.2071 -3.2071 -3.0350 -3.0350 2.0077 2.0077 2.2293 2.2293 5.7309 5.7309 5.8363 5.8363 6.5009 6.5009 6.6429 6.6429 6.6596 6.6596 6.7673 6.7673 8.8352 8.8352 9.0677 9.0677 9.3462 9.3462 9.6154 9.6154 k = 0.5318 0.1010-0.2376 ( 4703 PWs) bands (ev): -33.5381 -33.5381 -33.5381 -33.5381 -14.8204 -14.8204 -14.8197 -14.8197 -14.4668 -14.4668 -14.4660 -14.4660 -14.4025 -14.4025 -14.4021 -14.4021 -3.2315 -3.2315 -3.0592 -3.0592 1.9919 1.9919 2.2139 2.2139 5.8686 5.8686 5.9765 5.9765 6.5489 6.5489 6.6697 6.6697 6.6798 6.6798 6.7641 6.7641 8.8700 8.8700 9.1213 9.1213 9.3264 9.3264 9.5790 9.5790 k = 0.5283 0.1003-0.2050 ( 4707 PWs) bands (ev): -33.5383 -33.5383 -33.5383 -33.5383 -14.8199 -14.8199 -14.8192 -14.8192 -14.4663 -14.4663 -14.4655 -14.4655 -14.4010 -14.4010 -14.4006 -14.4006 -3.2534 -3.2534 -3.0809 -3.0809 1.9774 1.9774 2.1997 2.1997 6.0016 6.0016 6.1115 6.1115 6.5946 6.5946 6.6799 6.6799 6.7125 6.7125 6.7622 6.7622 8.8971 8.8971 9.1738 9.1738 9.3066 9.3066 9.5278 9.5278 k = 0.5247 0.0996-0.1723 ( 4713 PWs) bands (ev): -33.5385 -33.5385 -33.5385 -33.5385 -14.8194 -14.8194 -14.8188 -14.8188 -14.4659 -14.4659 -14.4651 -14.4651 -14.3997 -14.3997 -14.3993 -14.3993 -3.2728 -3.2728 -3.1001 -3.1001 1.9642 1.9642 2.1868 2.1868 6.1278 6.1278 6.2388 6.2388 6.6372 6.6372 6.6900 6.6900 6.7402 6.7402 6.7637 6.7637 8.9154 8.9154 9.2212 9.2212 9.2873 9.2873 9.4719 9.4719 k = 0.5212 0.0989-0.1397 ( 4705 PWs) bands (ev): -33.5386 -33.5386 -33.5386 -33.5386 -14.8190 -14.8190 -14.8183 -14.8183 -14.4655 -14.4655 -14.4647 -14.4647 -14.3985 -14.3985 -14.3981 -14.3981 -3.2896 -3.2896 -3.1168 -3.1168 1.9526 1.9526 2.1754 2.1754 6.2450 6.2450 6.3554 6.3554 6.6754 6.6754 6.7017 6.7017 6.7553 6.7553 6.7762 6.7762 8.9233 8.9233 9.2545 9.2545 9.2706 9.2706 9.4257 9.4257 k = 0.5177 0.0983-0.1071 ( 4707 PWs) bands (ev): -33.5388 -33.5388 -33.5388 -33.5388 -14.8186 -14.8186 -14.8180 -14.8180 -14.4651 -14.4651 -14.4644 -14.4644 -14.3975 -14.3975 -14.3971 -14.3971 -3.3038 -3.3038 -3.1309 -3.1309 1.9426 1.9426 2.1656 2.1656 6.3498 6.3498 6.4569 6.4569 6.7051 6.7051 6.7201 6.7201 6.7633 6.7633 6.7956 6.7956 8.9189 8.9189 9.2489 9.2489 9.2683 9.2683 9.4087 9.4087 k = 0.5141 0.0976-0.0744 ( 4699 PWs) bands (ev): -33.5389 -33.5389 -33.5389 -33.5389 -14.8183 -14.8183 -14.8177 -14.8177 -14.4649 -14.4649 -14.4641 -14.4641 -14.3966 -14.3966 -14.3962 -14.3962 -3.3155 -3.3155 -3.1424 -3.1424 1.9343 1.9343 2.1574 2.1574 6.4381 6.4381 6.5377 6.5377 6.7266 6.7266 6.7460 6.7460 6.7756 6.7756 6.8124 6.8124 8.9025 8.9025 9.2333 9.2333 9.2541 9.2541 9.4228 9.4228 k = 0.5106 0.0969-0.0418 ( 4703 PWs) bands (ev): -33.5390 -33.5390 -33.5390 -33.5390 -14.8181 -14.8181 -14.8175 -14.8175 -14.4647 -14.4647 -14.4639 -14.4639 -14.3960 -14.3960 -14.3956 -14.3956 -3.3245 -3.3245 -3.1514 -3.1514 1.9278 1.9278 2.1510 2.1510 6.5060 6.5060 6.5920 6.5920 6.7526 6.7526 6.7687 6.7687 6.7947 6.7947 6.8247 6.8247 8.8778 8.8778 9.2191 9.2191 9.2378 9.2378 9.4473 9.4473 k = 0.5071 0.0963-0.0092 ( 4710 PWs) bands (ev): -33.5390 -33.5390 -33.5390 -33.5390 -14.8179 -14.8179 -14.8173 -14.8173 -14.4645 -14.4645 -14.4638 -14.4638 -14.3955 -14.3955 -14.3951 -14.3951 -3.3310 -3.3310 -3.1578 -3.1578 1.9231 1.9231 2.1464 2.1464 6.5516 6.5516 6.6212 6.6212 6.7813 6.7813 6.7878 6.7878 6.8158 6.8158 6.8326 6.8326 8.8523 8.8523 9.2080 9.2080 9.2265 9.2265 9.4711 9.4712 k = 0.5035 0.0956 0.0235 ( 4710 PWs) bands (ev): -33.5391 -33.5391 -33.5391 -33.5391 -14.8178 -14.8178 -14.8172 -14.8172 -14.4644 -14.4644 -14.4637 -14.4637 -14.3952 -14.3952 -14.3948 -14.3948 -3.3349 -3.3349 -3.1617 -3.1617 1.9203 1.9203 2.1436 2.1436 6.5767 6.5767 6.6340 6.6340 6.7989 6.7989 6.8073 6.8073 6.8287 6.8287 6.8388 6.8388 8.8335 8.8335 9.2012 9.2012 9.2201 9.2201 9.4915 9.4915 k = 0.5000 0.0949 0.0561 ( 4698 PWs) bands (ev): -33.5391 -33.5391 -33.5391 -33.5391 -14.8178 -14.8178 -14.8172 -14.8172 -14.4644 -14.4644 -14.4637 -14.4637 -14.3951 -14.3951 -14.3947 -14.3947 -3.3362 -3.3362 -3.1630 -3.1630 1.9193 1.9193 2.1427 2.1427 6.5845 6.5845 6.6375 6.6375 6.8042 6.8042 6.8171 6.8171 6.8299 6.8299 6.8432 6.8432 8.8266 8.8266 9.1989 9.1989 9.2180 9.2180 9.5045 9.5045 k = 0.5000-1.2695-0.7506 ( 4748 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8595 -14.8595 -14.8584 -14.8584 -14.5102 -14.5102 -14.5086 -14.5086 -14.4482 -14.4482 -14.4467 -14.4467 -1.1518 -1.1518 -1.0177 -1.0177 0.3730 0.3730 0.5181 0.5181 4.1672 4.1672 4.2123 4.2123 5.2734 5.2734 5.4255 5.4255 5.5972 5.5972 5.8697 5.8697 7.6746 7.6746 7.9995 7.9995 8.3176 8.3176 9.2413 9.2413 k = 0.5296-1.2609-0.7455 ( 4747 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8595 -14.8595 -14.8584 -14.8584 -14.5102 -14.5102 -14.5085 -14.5085 -14.4482 -14.4482 -14.4467 -14.4467 -1.1520 -1.1520 -1.0175 -1.0175 0.3727 0.3727 0.5183 0.5183 4.1672 4.1672 4.2144 4.2144 5.2726 5.2726 5.4266 5.4266 5.5969 5.5969 5.8648 5.8648 7.6750 7.6750 8.0064 8.0064 8.3177 8.3177 9.2400 9.2400 k = 0.5591-1.2523-0.7404 ( 4747 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8595 -14.8595 -14.8584 -14.8584 -14.5102 -14.5102 -14.5086 -14.5086 -14.4482 -14.4482 -14.4467 -14.4467 -1.1527 -1.1527 -1.0170 -1.0170 0.3720 0.3720 0.5189 0.5189 4.1671 4.1671 4.2207 4.2207 5.2700 5.2700 5.4296 5.4296 5.5958 5.5958 5.8502 5.8502 7.6762 7.6762 8.0267 8.0267 8.3182 8.3182 9.2362 9.2362 k = 0.5887-1.2437-0.7353 ( 4735 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8595 -14.8595 -14.8584 -14.8584 -14.5102 -14.5102 -14.5085 -14.5085 -14.4482 -14.4482 -14.4467 -14.4467 -1.1537 -1.1537 -1.0163 -1.0163 0.3707 0.3707 0.5198 0.5198 4.1670 4.1670 4.2312 4.2312 5.2662 5.2662 5.4342 5.4342 5.5939 5.5939 5.8269 5.8269 7.6778 7.6778 8.0595 8.0595 8.3195 8.3195 9.2298 9.2298 k = 0.6183-1.2350-0.7302 ( 4728 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8595 -14.8595 -14.8584 -14.8584 -14.5101 -14.5101 -14.5086 -14.5086 -14.4481 -14.4481 -14.4467 -14.4467 -1.1551 -1.1551 -1.0154 -1.0154 0.3691 0.3691 0.5210 0.5210 4.1668 4.1668 4.2455 4.2455 5.2612 5.2612 5.4402 5.4402 5.5906 5.5906 5.7967 5.7967 7.6796 7.6796 8.1032 8.1032 8.3225 8.3225 9.2207 9.2207 k = 0.6478-1.2264-0.7251 ( 4727 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8594 -14.8594 -14.8584 -14.8584 -14.5101 -14.5101 -14.5086 -14.5086 -14.4481 -14.4481 -14.4468 -14.4468 -1.1567 -1.1567 -1.0144 -1.0144 0.3673 0.3673 0.5225 0.5225 4.1665 4.1665 4.2635 4.2635 5.2556 5.2556 5.4471 5.4471 5.5855 5.5855 5.7618 5.7618 7.6814 7.6814 8.1547 8.1547 8.3289 8.3289 9.2089 9.2089 k = 0.6774-1.2178-0.7200 ( 4735 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8594 -14.8594 -14.8585 -14.8585 -14.5100 -14.5100 -14.5086 -14.5086 -14.4480 -14.4480 -14.4468 -14.4468 -1.1586 -1.1586 -1.0134 -1.0134 0.3653 0.3653 0.5242 0.5242 4.1660 4.1660 4.2848 4.2848 5.2497 5.2497 5.4545 5.4545 5.5768 5.5768 5.7253 5.7253 7.6829 7.6829 8.2084 8.2084 8.3430 8.3430 9.1947 9.1947 k = 0.7070-1.2091-0.7149 ( 4736 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8594 -14.8594 -14.8585 -14.8585 -14.5100 -14.5100 -14.5087 -14.5087 -14.4480 -14.4480 -14.4469 -14.4469 -1.1606 -1.1606 -1.0125 -1.0125 0.3634 0.3634 0.5261 0.5261 4.1654 4.1654 4.3088 4.3088 5.2437 5.2437 5.4621 5.4621 5.5623 5.5623 5.6915 5.6915 7.6839 7.6839 8.2532 8.2532 8.3743 8.3743 9.1783 9.1783 k = 0.7365-1.2005-0.7098 ( 4740 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8593 -14.8593 -14.8585 -14.8585 -14.5099 -14.5099 -14.5087 -14.5087 -14.4480 -14.4480 -14.4469 -14.4469 -1.1627 -1.1627 -1.0119 -1.0119 0.3617 0.3617 0.5282 0.5282 4.1647 4.1647 4.3350 4.3350 5.2379 5.2379 5.4694 5.4694 5.5390 5.5390 5.6651 5.6651 7.6844 7.6844 8.2804 8.2804 8.4297 8.4297 9.1606 9.1606 k = 0.7661-1.1919-0.7047 ( 4739 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8593 -14.8593 -14.8585 -14.8585 -14.5098 -14.5098 -14.5088 -14.5088 -14.4479 -14.4479 -14.4470 -14.4470 -1.1649 -1.1649 -1.0115 -1.0115 0.3603 0.3603 0.5304 0.5304 4.1637 4.1637 4.3625 4.3625 5.2324 5.2324 5.4759 5.4759 5.5075 5.5075 5.6478 5.6478 7.6843 7.6843 8.2958 8.2958 8.5009 8.5009 9.1427 9.1427 k = 0.7957-1.1833-0.6996 ( 4739 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8592 -14.8592 -14.8586 -14.8586 -14.5098 -14.5098 -14.5088 -14.5088 -14.4479 -14.4479 -14.4470 -14.4470 -1.1671 -1.1671 -1.0116 -1.0116 0.3594 0.3594 0.5327 0.5327 4.1624 4.1624 4.3904 4.3904 5.2275 5.2275 5.4664 5.4664 5.4866 5.4866 5.6375 5.6375 7.6836 7.6836 8.3065 8.3065 8.5779 8.5779 9.1263 9.1263 k = 0.8252-1.1746-0.6945 ( 4736 PWs) bands (ev): -33.5280 -33.5280 -33.5279 -33.5279 -14.8591 -14.8591 -14.8586 -14.8586 -14.5097 -14.5097 -14.5089 -14.5089 -14.4478 -14.4478 -14.4471 -14.4471 -1.1692 -1.1692 -1.0121 -1.0121 0.3591 0.3591 0.5350 0.5350 4.1607 4.1607 4.4175 4.4175 5.2231 5.2231 5.4309 5.4309 5.4909 5.4909 5.6312 5.6312 7.6823 7.6823 8.3151 8.3151 8.6536 8.6536 9.1139 9.1139 Writing output data file CaSi2.save init_run : 0.45s CPU 0.86s WALL ( 1 calls) electrons : 654.92s CPU 659.41s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.15s WALL ( 1 calls) potinit : 0.08s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 654.91s CPU 659.40s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.02s WALL ( 1 calls) newd : 0.08s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.07s WALL ( 299 calls) cegterg : 607.19s CPU 610.51s WALL ( 715 calls) Called by sum_band: Called by *egterg: h_psi : 550.68s CPU 553.80s WALL ( 12180 calls) s_psi : 10.24s CPU 10.25s WALL ( 12180 calls) g_psi : 0.29s CPU 0.35s WALL ( 11166 calls) cdiaghg : 67.60s CPU 68.04s WALL ( 11465 calls) cegterg:over : 8.11s CPU 8.00s WALL ( 11166 calls) cegterg:upda : 7.83s CPU 7.85s WALL ( 11166 calls) cegterg:last : 3.32s CPU 3.51s WALL ( 1873 calls) cdiaghg:chol : 4.13s CPU 3.99s WALL ( 11465 calls) cdiaghg:inve : 2.14s CPU 2.30s WALL ( 11465 calls) cdiaghg:para : 3.99s CPU 3.94s WALL ( 22930 calls) Called by h_psi: h_psi:vloc : 528.06s CPU 531.06s WALL ( 12180 calls) h_psi:vnl : 22.32s CPU 22.44s WALL ( 12180 calls) add_vuspsi : 12.26s CPU 12.17s WALL ( 12180 calls) General routines calbec : 10.02s CPU 10.24s WALL ( 12180 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.01s CPU 0.00s WALL ( 4 calls) fftw : 492.81s CPU 495.37s WALL ( 977748 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.18s CPU 0.25s WALL ( 598 calls) Parallel routines fft_scatter : 74.77s CPU 75.31s WALL ( 977771 calls) PWSCF : 11m 9.82s CPU 11m44.75s WALL This run was terminated on: 17: 2:16 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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