Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 3:49 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: ./NaScS2.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P 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 79 52 15 2049 1105 170 Max 80 53 16 2051 1119 172 Sum 2863 1907 547 73813 40079 6155 bravais-lattice index = 14 lattice parameter (alat) = 13.0929 a.u. unit-cell volume = 541.1718 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 67.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.092944 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.853450 celldm(5)= 0.853450 celldm(6)= 0.853450 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.853450 0.521175 0.000000 ) a(3) = ( 0.853450 0.239983 0.462636 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.637547 -0.995309 ) b(2) = ( 0.000000 1.918740 -0.995309 ) b(3) = ( 0.000000 0.000000 2.161528 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Na read from file: /users/gautes/Pseudo/Na.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 13bcaa2858b974004ed12db349b14e76 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1121 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sc read from file: /users/gautes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Na 9.00 22.98980 Na( 1.00) Sc 11.00 44.95590 Sc( 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= 324 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 2) = ( 0.0100000 -0.0163755 -0.0099531), wk = 0.0030864 k( 3) = ( 0.0200000 -0.0327509 -0.0199062), wk = 0.0030864 k( 4) = ( 0.0300000 -0.0491264 -0.0298593), wk = 0.0030864 k( 5) = ( 0.0400000 -0.0655019 -0.0398124), wk = 0.0030864 k( 6) = ( 0.0500000 -0.0818774 -0.0497654), wk = 0.0030864 k( 7) = ( 0.0600000 -0.0982528 -0.0597185), wk = 0.0030864 k( 8) = ( 0.0700000 -0.1146283 -0.0696716), wk = 0.0030864 k( 9) = ( 0.0800000 -0.1310038 -0.0796247), wk = 0.0030864 k( 10) = ( 0.0900000 -0.1473793 -0.0895778), wk = 0.0030864 k( 11) = ( 0.1000000 -0.1637547 -0.0995309), wk = 0.0030864 k( 12) = ( 0.1100000 -0.1801302 -0.1094840), wk = 0.0030864 k( 13) = ( 0.1200000 -0.1965057 -0.1194371), wk = 0.0030864 k( 14) = ( 0.1300000 -0.2128812 -0.1293901), wk = 0.0030864 k( 15) = ( 0.1400000 -0.2292566 -0.1393432), wk = 0.0030864 k( 16) = ( 0.1500000 -0.2456321 -0.1492963), wk = 0.0030864 k( 17) = ( 0.1600000 -0.2620076 -0.1592494), wk = 0.0030864 k( 18) = ( 0.1700000 -0.2783831 -0.1692025), wk = 0.0030864 k( 19) = ( 0.1800000 -0.2947585 -0.1791556), wk = 0.0030864 k( 20) = ( 0.1900000 -0.3111340 -0.1891087), wk = 0.0030864 k( 21) = ( 0.2000000 -0.3275095 -0.1990618), wk = 0.0030864 k( 22) = ( 0.2100000 -0.3438850 -0.2090149), wk = 0.0030864 k( 23) = ( 0.2200000 -0.3602604 -0.2189679), wk = 0.0030864 k( 24) = ( 0.2300000 -0.3766359 -0.2289210), wk = 0.0030864 k( 25) = ( 0.2400000 -0.3930114 -0.2388741), wk = 0.0030864 k( 26) = ( 0.2500000 -0.4093869 -0.2488272), wk = 0.0030864 k( 27) = ( 0.2600000 -0.4257623 -0.2587803), wk = 0.0030864 k( 28) = ( 0.2700000 -0.4421378 -0.2687334), wk = 0.0030864 k( 29) = ( 0.2800000 -0.4585133 -0.2786865), wk = 0.0030864 k( 30) = ( 0.2900000 -0.4748887 -0.2886396), wk = 0.0030864 k( 31) = ( 0.3000000 -0.4912642 -0.2985926), wk = 0.0030864 k( 32) = ( 0.3100000 -0.5076397 -0.3085457), wk = 0.0030864 k( 33) = ( 0.3200000 -0.5240152 -0.3184988), wk = 0.0030864 k( 34) = ( 0.3300000 -0.5403906 -0.3284519), wk = 0.0030864 k( 35) = ( 0.3400000 -0.5567661 -0.3384050), wk = 0.0030864 k( 36) = ( 0.3500000 -0.5731416 -0.3483581), wk = 0.0030864 k( 37) = ( 0.3600000 -0.5895171 -0.3583112), wk = 0.0030864 k( 38) = ( 0.3700000 -0.6058925 -0.3682643), wk = 0.0030864 k( 39) = ( 0.3800000 -0.6222680 -0.3782173), wk = 0.0030864 k( 40) = ( 0.3900000 -0.6386435 -0.3881704), wk = 0.0030864 k( 41) = ( 0.4000000 -0.6550190 -0.3981235), wk = 0.0030864 k( 42) = ( 0.4100000 -0.6713944 -0.4080766), wk = 0.0030864 k( 43) = ( 0.4200000 -0.6877699 -0.4180297), wk = 0.0030864 k( 44) = ( 0.4300000 -0.7041454 -0.4279828), wk = 0.0030864 k( 45) = ( 0.4400000 -0.7205209 -0.4379359), wk = 0.0030864 k( 46) = ( 0.4500000 -0.7368963 -0.4478890), wk = 0.0030864 k( 47) = ( 0.4600000 -0.7532718 -0.4578421), wk = 0.0030864 k( 48) = ( 0.4700000 -0.7696473 -0.4677951), wk = 0.0030864 k( 49) = ( 0.4800000 -0.7860228 -0.4777482), wk = 0.0030864 k( 50) = ( 0.4900000 -0.8023982 -0.4877013), wk = 0.0030864 k( 51) = ( 0.5000000 -0.8187737 -0.4976544), wk = 0.0030864 k( 52) = ( 0.5000000 -0.8187737 -0.4976544), wk = 0.0030864 k( 53) = ( 0.5000000 -0.8073409 -0.5164644), wk = 0.0030864 k( 54) = ( 0.5000000 -0.7959081 -0.5352744), wk = 0.0030864 k( 55) = ( 0.5000000 -0.7844753 -0.5540843), wk = 0.0030864 k( 56) = ( 0.5000000 -0.7730425 -0.5728943), wk = 0.0030864 k( 57) = ( 0.5000000 -0.7616098 -0.5917043), wk = 0.0030864 k( 58) = ( 0.5000000 -0.7501770 -0.6105143), wk = 0.0030864 k( 59) = ( 0.5000000 -0.7387442 -0.6293243), wk = 0.0030864 k( 60) = ( 0.5000000 -0.7273114 -0.6481342), wk = 0.0030864 k( 61) = ( 0.5000000 -0.7158786 -0.6669442), wk = 0.0030864 k( 62) = ( 0.5000000 -0.7044458 -0.6857542), wk = 0.0030864 k( 63) = ( 0.5000000 -0.6930130 -0.7045642), wk = 0.0030864 k( 64) = ( 0.5000000 -0.6815802 -0.7233741), wk = 0.0030864 k( 65) = ( 0.5000000 -0.6701474 -0.7421841), wk = 0.0030864 k( 66) = ( 0.5000000 -0.6587146 -0.7609941), wk = 0.0030864 k( 67) = ( 0.5000000 -0.6472818 -0.7798041), wk = 0.0030864 k( 68) = ( 0.5000000 -0.6358490 -0.7986141), wk = 0.0030864 k( 69) = ( 0.5000000 -0.6244162 -0.8174241), wk = 0.0030864 k( 70) = ( 0.5000000 -0.6129835 -0.8362340), wk = 0.0030864 k( 71) = ( 0.5000000 -0.6015507 -0.8550440), wk = 0.0030864 k( 72) = ( 0.5000000 -0.5901179 -0.8738540), wk = 0.0030864 k( 73) = ( 0.5000000 -0.5786851 -0.8926640), wk = 0.0030864 k( 74) = ( 0.5000000 -0.5672523 -0.9114739), wk = 0.0030864 k( 75) = ( 0.5000000 -0.5558195 -0.9302839), wk = 0.0030864 k( 76) = ( 0.5000000 -0.5443867 -0.9490939), wk = 0.0030864 k( 77) = ( 0.5000000 -0.5329539 -0.9679039), wk = 0.0030864 k( 78) = ( 0.5000000 -0.5215211 -0.9867139), wk = 0.0030864 k( 79) = ( 0.5000000 -0.5100883 -1.0055238), wk = 0.0030864 k( 80) = ( 0.5000000 -0.4986556 -1.0243338), wk = 0.0030864 k( 81) = ( 0.5000000 -0.4872228 -1.0431438), wk = 0.0030864 k( 82) = ( 0.5000000 -0.4757900 -1.0619538), wk = 0.0030864 k( 83) = ( 0.5000000 -0.4643572 -1.0807637), wk = 0.0030864 k( 84) = ( 0.8152868 -0.3757010 -0.9098539), wk = 0.0030864 k( 85) = ( 0.8093380 -0.3659595 -0.8910745), wk = 0.0030864 k( 86) = ( 0.8033892 -0.3562181 -0.8722950), wk = 0.0030864 k( 87) = ( 0.7974404 -0.3464766 -0.8535157), wk = 0.0030864 k( 88) = ( 0.7914916 -0.3367352 -0.8347362), wk = 0.0030864 k( 89) = ( 0.7855428 -0.3269937 -0.8159568), wk = 0.0030864 k( 90) = ( 0.7795939 -0.3172523 -0.7971774), wk = 0.0030864 k( 91) = ( 0.7736452 -0.3075108 -0.7783980), wk = 0.0030864 k( 92) = ( 0.7676963 -0.2977694 -0.7596186), wk = 0.0030864 k( 93) = ( 0.7617475 -0.2880279 -0.7408392), wk = 0.0030864 k( 94) = ( 0.7557987 -0.2782865 -0.7220598), wk = 0.0030864 k( 95) = ( 0.7498499 -0.2685450 -0.7032804), wk = 0.0030864 k( 96) = ( 0.7439011 -0.2588036 -0.6845009), wk = 0.0030864 k( 97) = ( 0.7379523 -0.2490621 -0.6657215), wk = 0.0030864 k( 98) = ( 0.7320035 -0.2393206 -0.6469421), wk = 0.0030864 k( 99) = ( 0.7260547 -0.2295792 -0.6281627), wk = 0.0030864 k( 100) = ( 0.7201059 -0.2198377 -0.6093833), wk = 0.0030864 k( 101) = ( 0.7141571 -0.2100963 -0.5906039), wk = 0.0030864 k( 102) = ( 0.7082083 -0.2003548 -0.5718245), wk = 0.0030864 k( 103) = ( 0.7022595 -0.1906134 -0.5530451), wk = 0.0030864 k( 104) = ( 0.6963107 -0.1808719 -0.5342657), wk = 0.0030864 k( 105) = ( 0.6903618 -0.1711305 -0.5154862), wk = 0.0030864 k( 106) = ( 0.6844130 -0.1613890 -0.4967068), wk = 0.0030864 k( 107) = ( 0.6784642 -0.1516476 -0.4779274), wk = 0.0030864 k( 108) = ( 0.6725154 -0.1419061 -0.4591480), wk = 0.0030864 k( 109) = ( 0.6665666 -0.1321646 -0.4403686), wk = 0.0030864 k( 110) = ( 0.6606178 -0.1224232 -0.4215892), wk = 0.0030864 k( 111) = ( 0.6546690 -0.1126817 -0.4028098), wk = 0.0030864 k( 112) = ( 0.6487202 -0.1029403 -0.3840304), wk = 0.0030864 k( 113) = ( 0.6427714 -0.0931988 -0.3652509), wk = 0.0030864 k( 114) = ( 0.6368226 -0.0834574 -0.3464715), wk = 0.0030864 k( 115) = ( 0.6308738 -0.0737159 -0.3276921), wk = 0.0030864 k( 116) = ( 0.6249250 -0.0639745 -0.3089127), wk = 0.0030864 k( 117) = ( 0.6189761 -0.0542330 -0.2901333), wk = 0.0030864 k( 118) = ( 0.6130273 -0.0444916 -0.2713539), wk = 0.0030864 k( 119) = ( 0.6070785 -0.0347501 -0.2525745), wk = 0.0030864 k( 120) = ( 0.6011297 -0.0250087 -0.2337951), wk = 0.0030864 k( 121) = ( 0.5951809 -0.0152672 -0.2150156), wk = 0.0030864 k( 122) = ( 0.5892321 -0.0055257 -0.1962362), wk = 0.0030864 k( 123) = ( 0.5832833 0.0042157 -0.1774568), wk = 0.0030864 k( 124) = ( 0.5773345 0.0139572 -0.1586774), wk = 0.0030864 k( 125) = ( 0.5713857 0.0236986 -0.1398980), wk = 0.0030864 k( 126) = ( 0.5654369 0.0334401 -0.1211186), wk = 0.0030864 k( 127) = ( 0.5594881 0.0431815 -0.1023392), wk = 0.0030864 k( 128) = ( 0.5535393 0.0529230 -0.0835598), wk = 0.0030864 k( 129) = ( 0.5475905 0.0626644 -0.0647804), wk = 0.0030864 k( 130) = ( 0.5416416 0.0724059 -0.0460009), wk = 0.0030864 k( 131) = ( 0.5356928 0.0821473 -0.0272215), wk = 0.0030864 k( 132) = ( 0.5297440 0.0918888 -0.0084421), wk = 0.0030864 k( 133) = ( 0.5237952 0.1016303 0.0103373), wk = 0.0030864 k( 134) = ( 0.5178464 0.1113717 0.0291167), wk = 0.0030864 k( 135) = ( 0.5118976 0.1211132 0.0478961), wk = 0.0030864 k( 136) = ( 0.5059488 0.1308546 0.0666755), wk = 0.0030864 k( 137) = ( 0.5000000 0.1405961 0.0854549), wk = 0.0030864 k( 138) = ( 0.5000000 0.1405961 0.0854549), wk = 0.0030864 k( 139) = ( 0.4791667 0.1347379 0.0818943), wk = 0.0030864 k( 140) = ( 0.4583333 0.1288797 0.0783337), wk = 0.0030864 k( 141) = ( 0.4375000 0.1230216 0.0747731), wk = 0.0030864 k( 142) = ( 0.4166667 0.1171634 0.0712125), wk = 0.0030864 k( 143) = ( 0.3958333 0.1113052 0.0676518), wk = 0.0030864 k( 144) = ( 0.3750000 0.1054471 0.0640912), wk = 0.0030864 k( 145) = ( 0.3541667 0.0995889 0.0605306), wk = 0.0030864 k( 146) = ( 0.3333333 0.0937307 0.0569700), wk = 0.0030864 k( 147) = ( 0.3125000 0.0878725 0.0534093), wk = 0.0030864 k( 148) = ( 0.2916667 0.0820144 0.0498487), wk = 0.0030864 k( 149) = ( 0.2708333 0.0761562 0.0462881), wk = 0.0030864 k( 150) = ( 0.2500000 0.0702980 0.0427275), wk = 0.0030864 k( 151) = ( 0.2291667 0.0644399 0.0391668), wk = 0.0030864 k( 152) = ( 0.2083333 0.0585817 0.0356062), wk = 0.0030864 k( 153) = ( 0.1875000 0.0527235 0.0320456), wk = 0.0030864 k( 154) = ( 0.1666667 0.0468654 0.0284850), wk = 0.0030864 k( 155) = ( 0.1458333 0.0410072 0.0249244), wk = 0.0030864 k( 156) = ( 0.1250000 0.0351490 0.0213637), wk = 0.0030864 k( 157) = ( 0.1041667 0.0292909 0.0178031), wk = 0.0030864 k( 158) = ( 0.0833333 0.0234327 0.0142425), wk = 0.0030864 k( 159) = ( 0.0625000 0.0175745 0.0106819), wk = 0.0030864 k( 160) = ( 0.0416667 0.0117163 0.0071212), wk = 0.0030864 k( 161) = ( 0.0208333 0.0058582 0.0035606), wk = 0.0030864 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 164) = ( 0.0059027 -0.0096660 -0.0186339), wk = 0.0030864 k( 165) = ( 0.0118054 -0.0193319 -0.0372677), wk = 0.0030864 k( 166) = ( 0.0177081 -0.0289979 -0.0559016), wk = 0.0030864 k( 167) = ( 0.0236108 -0.0386638 -0.0745354), wk = 0.0030864 k( 168) = ( 0.0295135 -0.0483298 -0.0931693), wk = 0.0030864 k( 169) = ( 0.0354162 -0.0579957 -0.1118031), wk = 0.0030864 k( 170) = ( 0.0413189 -0.0676617 -0.1304370), wk = 0.0030864 k( 171) = ( 0.0472216 -0.0773276 -0.1490709), wk = 0.0030864 k( 172) = ( 0.0531243 -0.0869936 -0.1677047), wk = 0.0030864 k( 173) = ( 0.0590270 -0.0966595 -0.1863386), wk = 0.0030864 k( 174) = ( 0.0649297 -0.1063255 -0.2049724), wk = 0.0030864 k( 175) = ( 0.0708324 -0.1159914 -0.2236063), wk = 0.0030864 k( 176) = ( 0.0767351 -0.1256574 -0.2422402), wk = 0.0030864 k( 177) = ( 0.0826378 -0.1353233 -0.2608740), wk = 0.0030864 k( 178) = ( 0.0885405 -0.1449893 -0.2795079), wk = 0.0030864 k( 179) = ( 0.0944432 -0.1546552 -0.2981417), wk = 0.0030864 k( 180) = ( 0.1003459 -0.1643212 -0.3167756), wk = 0.0030864 k( 181) = ( 0.1062486 -0.1739871 -0.3354094), wk = 0.0030864 k( 182) = ( 0.1121513 -0.1836531 -0.3540433), wk = 0.0030864 k( 183) = ( 0.1180540 -0.1933190 -0.3726772), wk = 0.0030864 k( 184) = ( 0.1239567 -0.2029850 -0.3913110), wk = 0.0030864 k( 185) = ( 0.1298594 -0.2126509 -0.4099449), wk = 0.0030864 k( 186) = ( 0.1357621 -0.2223169 -0.4285787), wk = 0.0030864 k( 187) = ( 0.1416648 -0.2319828 -0.4472126), wk = 0.0030864 k( 188) = ( 0.1475675 -0.2416488 -0.4658464), wk = 0.0030864 k( 189) = ( 0.1534702 -0.2513147 -0.4844803), wk = 0.0030864 k( 190) = ( 0.1593729 -0.2609807 -0.5031142), wk = 0.0030864 k( 191) = ( 0.1652756 -0.2706466 -0.5217480), wk = 0.0030864 k( 192) = ( 0.1711783 -0.2803126 -0.5403819), wk = 0.0030864 k( 193) = ( 0.1770810 -0.2899785 -0.5590157), wk = 0.0030864 k( 194) = ( 0.1829837 -0.2996445 -0.5776496), wk = 0.0030864 k( 195) = ( 0.1888864 -0.3093104 -0.5962834), wk = 0.0030864 k( 196) = ( 0.1947891 -0.3189764 -0.6149173), wk = 0.0030864 k( 197) = ( 0.2006918 -0.3286423 -0.6335512), wk = 0.0030864 k( 198) = ( 0.2065945 -0.3383083 -0.6521850), wk = 0.0030864 k( 199) = ( 0.2124972 -0.3479742 -0.6708189), wk = 0.0030864 k( 200) = ( 0.2183999 -0.3576402 -0.6894527), wk = 0.0030864 k( 201) = ( 0.2243026 -0.3673061 -0.7080866), wk = 0.0030864 k( 202) = ( 0.2302053 -0.3769721 -0.7267205), wk = 0.0030864 k( 203) = ( 0.2361080 -0.3866380 -0.7453543), wk = 0.0030864 k( 204) = ( 0.2420107 -0.3963040 -0.7639882), wk = 0.0030864 k( 205) = ( 0.2479134 -0.4059699 -0.7826220), wk = 0.0030864 k( 206) = ( 0.2538161 -0.4156359 -0.8012559), wk = 0.0030864 k( 207) = ( 0.2597188 -0.4253018 -0.8198897), wk = 0.0030864 k( 208) = ( 0.2656215 -0.4349678 -0.8385236), wk = 0.0030864 k( 209) = ( 0.2715242 -0.4446338 -0.8571575), wk = 0.0030864 k( 210) = ( 0.2774269 -0.4542997 -0.8757913), wk = 0.0030864 k( 211) = ( 0.2833296 -0.4639657 -0.8944252), wk = 0.0030864 k( 212) = ( 0.2892323 -0.4736316 -0.9130590), wk = 0.0030864 k( 213) = ( 0.2951350 -0.4832976 -0.9316929), wk = 0.0030864 k( 214) = ( 0.3010377 -0.4929635 -0.9503267), wk = 0.0030864 k( 215) = ( 0.3069404 -0.5026295 -0.9689606), wk = 0.0030864 k( 216) = ( 0.3128431 -0.5122954 -0.9875945), wk = 0.0030864 k( 217) = ( 0.3187458 -0.5219614 -1.0062283), wk = 0.0030864 k( 218) = ( 0.3246485 -0.5316273 -1.0248622), wk = 0.0030864 k( 219) = ( 0.3305512 -0.5412933 -1.0434960), wk = 0.0030864 k( 220) = ( 0.3364539 -0.5509592 -1.0621299), wk = 0.0030864 k( 221) = ( 0.3423566 -0.5606252 -1.0807637), wk = 0.0030864 k( 222) = ( 0.6576434 -0.4200291 -0.9953088), wk = 0.0030864 k( 223) = ( 0.6518048 -0.3992652 -0.9953088), wk = 0.0030864 k( 224) = ( 0.6459661 -0.3785013 -0.9953088), wk = 0.0030864 k( 225) = ( 0.6401275 -0.3577374 -0.9953088), wk = 0.0030864 k( 226) = ( 0.6342888 -0.3369735 -0.9953088), wk = 0.0030864 k( 227) = ( 0.6284502 -0.3162096 -0.9953088), wk = 0.0030864 k( 228) = ( 0.6226115 -0.2954457 -0.9953088), wk = 0.0030864 k( 229) = ( 0.6167729 -0.2746818 -0.9953088), wk = 0.0030864 k( 230) = ( 0.6109342 -0.2539179 -0.9953088), wk = 0.0030864 k( 231) = ( 0.6050956 -0.2331540 -0.9953088), wk = 0.0030864 k( 232) = ( 0.5992570 -0.2123901 -0.9953088), wk = 0.0030864 k( 233) = ( 0.5934183 -0.1916262 -0.9953088), wk = 0.0030864 k( 234) = ( 0.5875797 -0.1708624 -0.9953088), wk = 0.0030864 k( 235) = ( 0.5817410 -0.1500984 -0.9953088), wk = 0.0030864 k( 236) = ( 0.5759024 -0.1293346 -0.9953088), wk = 0.0030864 k( 237) = ( 0.5700637 -0.1085707 -0.9953088), wk = 0.0030864 k( 238) = ( 0.5642251 -0.0878068 -0.9953088), wk = 0.0030864 k( 239) = ( 0.5583864 -0.0670429 -0.9953088), wk = 0.0030864 k( 240) = ( 0.5525478 -0.0462790 -0.9953088), wk = 0.0030864 k( 241) = ( 0.5467092 -0.0255151 -0.9953088), wk = 0.0030864 k( 242) = ( 0.5408705 -0.0047512 -0.9953088), wk = 0.0030864 k( 243) = ( 0.5350319 0.0160127 -0.9953088), wk = 0.0030864 k( 244) = ( 0.5291932 0.0367766 -0.9953088), wk = 0.0030864 k( 245) = ( 0.5233546 0.0575405 -0.9953088), wk = 0.0030864 k( 246) = ( 0.5175159 0.0783044 -0.9953088), wk = 0.0030864 k( 247) = ( 0.5116773 0.0990683 -0.9953088), wk = 0.0030864 k( 248) = ( 0.5058386 0.1198322 -0.9953088), wk = 0.0030864 k( 249) = ( 0.5000000 0.1405961 -0.9953088), wk = 0.0030864 k( 250) = ( 0.5000000 0.1405961 -0.9953088), wk = 0.0030864 k( 251) = ( 0.5175159 0.1455214 -0.9858138), wk = 0.0030864 k( 252) = ( 0.5350319 0.1504468 -0.9763188), wk = 0.0030864 k( 253) = ( 0.5525478 0.1553721 -0.9668238), wk = 0.0030864 k( 254) = ( 0.5700637 0.1602974 -0.9573288), wk = 0.0030864 k( 255) = ( 0.5875797 0.1652228 -0.9478338), wk = 0.0030864 k( 256) = ( 0.6050956 0.1701481 -0.9383389), wk = 0.0030864 k( 257) = ( 0.6226115 0.1750735 -0.9288439), wk = 0.0030864 k( 258) = ( 0.6401275 0.1799988 -0.9193489), wk = 0.0030864 k( 259) = ( 0.6576434 0.1849242 -0.9098539), wk = 0.0030864 k( 260) = ( 0.6576434 0.1849242 -0.9098539), wk = 0.0030864 k( 261) = ( 0.6542164 0.1839605 -0.8882167), wk = 0.0030864 k( 262) = ( 0.6507893 0.1829969 -0.8665796), wk = 0.0030864 k( 263) = ( 0.6473623 0.1820332 -0.8449424), wk = 0.0030864 k( 264) = ( 0.6439353 0.1810695 -0.8233053), wk = 0.0030864 k( 265) = ( 0.6405083 0.1801059 -0.8016681), wk = 0.0030864 k( 266) = ( 0.6370812 0.1791422 -0.7800310), wk = 0.0030864 k( 267) = ( 0.6336542 0.1781786 -0.7583938), wk = 0.0030864 k( 268) = ( 0.6302272 0.1772149 -0.7367567), wk = 0.0030864 k( 269) = ( 0.6268001 0.1762513 -0.7151196), wk = 0.0030864 k( 270) = ( 0.6233731 0.1752876 -0.6934824), wk = 0.0030864 k( 271) = ( 0.6199461 0.1743240 -0.6718452), wk = 0.0030864 k( 272) = ( 0.6165190 0.1733603 -0.6502081), wk = 0.0030864 k( 273) = ( 0.6130920 0.1723967 -0.6285709), wk = 0.0030864 k( 274) = ( 0.6096650 0.1714330 -0.6069338), wk = 0.0030864 k( 275) = ( 0.6062379 0.1704694 -0.5852967), wk = 0.0030864 k( 276) = ( 0.6028109 0.1695057 -0.5636595), wk = 0.0030864 k( 277) = ( 0.5993839 0.1685420 -0.5420223), wk = 0.0030864 k( 278) = ( 0.5959568 0.1675784 -0.5203852), wk = 0.0030864 k( 279) = ( 0.5925298 0.1666147 -0.4987481), wk = 0.0030864 k( 280) = ( 0.5891028 0.1656511 -0.4771109), wk = 0.0030864 k( 281) = ( 0.5856758 0.1646874 -0.4554738), wk = 0.0030864 k( 282) = ( 0.5822487 0.1637238 -0.4338366), wk = 0.0030864 k( 283) = ( 0.5788217 0.1627601 -0.4121995), wk = 0.0030864 k( 284) = ( 0.5753947 0.1617965 -0.3905623), wk = 0.0030864 k( 285) = ( 0.5719676 0.1608328 -0.3689252), wk = 0.0030864 k( 286) = ( 0.5685406 0.1598692 -0.3472880), wk = 0.0030864 k( 287) = ( 0.5651136 0.1589055 -0.3256509), wk = 0.0030864 k( 288) = ( 0.5616866 0.1579419 -0.3040137), wk = 0.0030864 k( 289) = ( 0.5582595 0.1569782 -0.2823766), wk = 0.0030864 k( 290) = ( 0.5548325 0.1560145 -0.2607394), wk = 0.0030864 k( 291) = ( 0.5514055 0.1550509 -0.2391023), wk = 0.0030864 k( 292) = ( 0.5479784 0.1540872 -0.2174651), wk = 0.0030864 k( 293) = ( 0.5445514 0.1531236 -0.1958280), wk = 0.0030864 k( 294) = ( 0.5411244 0.1521599 -0.1741908), wk = 0.0030864 k( 295) = ( 0.5376973 0.1511963 -0.1525537), wk = 0.0030864 k( 296) = ( 0.5342703 0.1502326 -0.1309165), wk = 0.0030864 k( 297) = ( 0.5308433 0.1492690 -0.1092794), wk = 0.0030864 k( 298) = ( 0.5274162 0.1483053 -0.0876422), wk = 0.0030864 k( 299) = ( 0.5239892 0.1473417 -0.0660051), wk = 0.0030864 k( 300) = ( 0.5205622 0.1463780 -0.0443679), wk = 0.0030864 k( 301) = ( 0.5171351 0.1454143 -0.0227308), wk = 0.0030864 k( 302) = ( 0.5137081 0.1444507 -0.0010936), wk = 0.0030864 k( 303) = ( 0.5102811 0.1434870 0.0205435), wk = 0.0030864 k( 304) = ( 0.5068541 0.1425234 0.0421806), wk = 0.0030864 k( 305) = ( 0.5034270 0.1415597 0.0638178), wk = 0.0030864 k( 306) = ( 0.5000000 0.1405961 0.0854549), wk = 0.0030864 k( 307) = ( 0.5000000 -0.8187737 -0.4976544), wk = 0.0030864 k( 308) = ( 0.5185463 -0.8105034 -0.4926276), wk = 0.0030864 k( 309) = ( 0.5370926 -0.8022330 -0.4876009), wk = 0.0030864 k( 310) = ( 0.5556389 -0.7939626 -0.4825741), wk = 0.0030864 k( 311) = ( 0.5741851 -0.7856923 -0.4775474), wk = 0.0030864 k( 312) = ( 0.5927314 -0.7774219 -0.4725206), wk = 0.0030864 k( 313) = ( 0.6112777 -0.7691516 -0.4674938), wk = 0.0030864 k( 314) = ( 0.6298240 -0.7608812 -0.4624671), wk = 0.0030864 k( 315) = ( 0.6483703 -0.7526108 -0.4574403), wk = 0.0030864 k( 316) = ( 0.6669165 -0.7443405 -0.4524136), wk = 0.0030864 k( 317) = ( 0.6854628 -0.7360701 -0.4473868), wk = 0.0030864 k( 318) = ( 0.7040091 -0.7277998 -0.4423600), wk = 0.0030864 k( 319) = ( 0.7225554 -0.7195294 -0.4373333), wk = 0.0030864 k( 320) = ( 0.7411017 -0.7112591 -0.4323065), wk = 0.0030864 k( 321) = ( 0.7596479 -0.7029887 -0.4272798), wk = 0.0030864 k( 322) = ( 0.7781942 -0.6947183 -0.4222530), wk = 0.0030864 k( 323) = ( 0.7967405 -0.6864480 -0.4172262), wk = 0.0030864 k( 324) = ( 0.8152868 -0.6781776 -0.4121995), wk = 0.0030864 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 2) = ( 0.0100000 -0.0000000 -0.0000000), wk = 0.0030864 k( 3) = ( 0.0200000 -0.0000000 -0.0000000), wk = 0.0030864 k( 4) = ( 0.0300000 -0.0000000 -0.0000000), wk = 0.0030864 k( 5) = ( 0.0400000 -0.0000000 -0.0000000), wk = 0.0030864 k( 6) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0030864 k( 7) = ( 0.0600000 -0.0000000 -0.0000000), wk = 0.0030864 k( 8) = ( 0.0700000 -0.0000000 -0.0000000), wk = 0.0030864 k( 9) = ( 0.0800000 -0.0000000 -0.0000000), wk = 0.0030864 k( 10) = ( 0.0900000 -0.0000000 -0.0000000), wk = 0.0030864 k( 11) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0030864 k( 12) = ( 0.1100000 -0.0000000 -0.0000000), wk = 0.0030864 k( 13) = ( 0.1200000 -0.0000000 -0.0000000), wk = 0.0030864 k( 14) = ( 0.1300000 -0.0000000 -0.0000000), wk = 0.0030864 k( 15) = ( 0.1400000 -0.0000000 -0.0000000), wk = 0.0030864 k( 16) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0030864 k( 17) = ( 0.1600000 -0.0000000 -0.0000000), wk = 0.0030864 k( 18) = ( 0.1700000 -0.0000000 -0.0000000), wk = 0.0030864 k( 19) = ( 0.1800000 -0.0000000 -0.0000000), wk = 0.0030864 k( 20) = ( 0.1900000 -0.0000000 -0.0000000), wk = 0.0030864 k( 21) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0030864 k( 22) = ( 0.2100000 -0.0000000 -0.0000000), wk = 0.0030864 k( 23) = ( 0.2200000 -0.0000000 -0.0000000), wk = 0.0030864 k( 24) = ( 0.2300000 -0.0000000 -0.0000000), wk = 0.0030864 k( 25) = ( 0.2400000 -0.0000000 -0.0000000), wk = 0.0030864 k( 26) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0030864 k( 27) = ( 0.2600000 -0.0000000 -0.0000000), wk = 0.0030864 k( 28) = ( 0.2700000 -0.0000000 -0.0000000), wk = 0.0030864 k( 29) = ( 0.2800000 -0.0000000 -0.0000000), wk = 0.0030864 k( 30) = ( 0.2900000 -0.0000000 -0.0000000), wk = 0.0030864 k( 31) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0030864 k( 32) = ( 0.3100000 -0.0000000 -0.0000000), wk = 0.0030864 k( 33) = ( 0.3200000 -0.0000000 -0.0000000), wk = 0.0030864 k( 34) = ( 0.3300000 -0.0000000 -0.0000000), wk = 0.0030864 k( 35) = ( 0.3400000 -0.0000000 -0.0000000), wk = 0.0030864 k( 36) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0030864 k( 37) = ( 0.3600000 -0.0000000 -0.0000000), wk = 0.0030864 k( 38) = ( 0.3700000 -0.0000000 -0.0000000), wk = 0.0030864 k( 39) = ( 0.3800000 -0.0000000 -0.0000000), wk = 0.0030864 k( 40) = ( 0.3900000 0.0000000 -0.0000000), wk = 0.0030864 k( 41) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0030864 k( 42) = ( 0.4100000 -0.0000000 -0.0000000), wk = 0.0030864 k( 43) = ( 0.4200000 -0.0000000 -0.0000000), wk = 0.0030864 k( 44) = ( 0.4300000 -0.0000000 -0.0000000), wk = 0.0030864 k( 45) = ( 0.4400000 -0.0000000 -0.0000000), wk = 0.0030864 k( 46) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0030864 k( 47) = ( 0.4600000 -0.0000000 -0.0000000), wk = 0.0030864 k( 48) = ( 0.4700000 -0.0000000 -0.0000000), wk = 0.0030864 k( 49) = ( 0.4800000 -0.0000000 -0.0000000), wk = 0.0030864 k( 50) = ( 0.4900000 -0.0000000 -0.0000000), wk = 0.0030864 k( 51) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0030864 k( 52) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0030864 k( 53) = ( 0.5000000 0.0059585 -0.0059585), wk = 0.0030864 k( 54) = ( 0.5000000 0.0119170 -0.0119170), wk = 0.0030864 k( 55) = ( 0.5000000 0.0178755 -0.0178755), wk = 0.0030864 k( 56) = ( 0.5000000 0.0238340 -0.0238340), wk = 0.0030864 k( 57) = ( 0.5000000 0.0297924 -0.0297925), wk = 0.0030864 k( 58) = ( 0.5000000 0.0357509 -0.0357509), wk = 0.0030864 k( 59) = ( 0.5000000 0.0417094 -0.0417094), wk = 0.0030864 k( 60) = ( 0.5000000 0.0476679 -0.0476679), wk = 0.0030864 k( 61) = ( 0.5000000 0.0536264 -0.0536264), wk = 0.0030864 k( 62) = ( 0.5000000 0.0595849 -0.0595849), wk = 0.0030864 k( 63) = ( 0.5000000 0.0655434 -0.0655434), wk = 0.0030864 k( 64) = ( 0.5000000 0.0715019 -0.0715019), wk = 0.0030864 k( 65) = ( 0.5000000 0.0774604 -0.0774604), wk = 0.0030864 k( 66) = ( 0.5000000 0.0834189 -0.0834189), wk = 0.0030864 k( 67) = ( 0.5000000 0.0893774 -0.0893774), wk = 0.0030864 k( 68) = ( 0.5000000 0.0953358 -0.0953359), wk = 0.0030864 k( 69) = ( 0.5000000 0.1012943 -0.1012943), wk = 0.0030864 k( 70) = ( 0.5000000 0.1072528 -0.1072528), wk = 0.0030864 k( 71) = ( 0.5000000 0.1132113 -0.1132113), wk = 0.0030864 k( 72) = ( 0.5000000 0.1191698 -0.1191698), wk = 0.0030864 k( 73) = ( 0.5000000 0.1251283 -0.1251283), wk = 0.0030864 k( 74) = ( 0.5000000 0.1310868 -0.1310868), wk = 0.0030864 k( 75) = ( 0.5000000 0.1370453 -0.1370453), wk = 0.0030864 k( 76) = ( 0.5000000 0.1430038 -0.1430038), wk = 0.0030864 k( 77) = ( 0.5000000 0.1489623 -0.1489623), wk = 0.0030864 k( 78) = ( 0.5000000 0.1549207 -0.1549208), wk = 0.0030864 k( 79) = ( 0.5000000 0.1608792 -0.1608792), wk = 0.0030864 k( 80) = ( 0.5000000 0.1668377 -0.1668377), wk = 0.0030864 k( 81) = ( 0.5000000 0.1727962 -0.1727962), wk = 0.0030864 k( 82) = ( 0.5000000 0.1787547 -0.1787547), wk = 0.0030864 k( 83) = ( 0.5000000 0.1847132 -0.1847132), wk = 0.0030864 k( 84) = ( 0.8152868 0.5000000 0.1847132), wk = 0.0030864 k( 85) = ( 0.8093380 0.5000000 0.1906620), wk = 0.0030864 k( 86) = ( 0.8033892 0.5000000 0.1966108), wk = 0.0030864 k( 87) = ( 0.7974404 0.5000000 0.2025596), wk = 0.0030864 k( 88) = ( 0.7914916 0.5000000 0.2085084), wk = 0.0030864 k( 89) = ( 0.7855428 0.5000000 0.2144572), wk = 0.0030864 k( 90) = ( 0.7795939 0.5000000 0.2204060), wk = 0.0030864 k( 91) = ( 0.7736452 0.5000000 0.2263548), wk = 0.0030864 k( 92) = ( 0.7676963 0.5000000 0.2323037), wk = 0.0030864 k( 93) = ( 0.7617475 0.5000000 0.2382525), wk = 0.0030864 k( 94) = ( 0.7557987 0.5000000 0.2442013), wk = 0.0030864 k( 95) = ( 0.7498499 0.5000000 0.2501501), wk = 0.0030864 k( 96) = ( 0.7439011 0.5000000 0.2560989), wk = 0.0030864 k( 97) = ( 0.7379523 0.5000000 0.2620477), wk = 0.0030864 k( 98) = ( 0.7320035 0.5000000 0.2679965), wk = 0.0030864 k( 99) = ( 0.7260547 0.5000000 0.2739453), wk = 0.0030864 k( 100) = ( 0.7201059 0.5000000 0.2798941), wk = 0.0030864 k( 101) = ( 0.7141571 0.5000000 0.2858429), wk = 0.0030864 k( 102) = ( 0.7082083 0.5000000 0.2917917), wk = 0.0030864 k( 103) = ( 0.7022595 0.5000000 0.2977405), wk = 0.0030864 k( 104) = ( 0.6963107 0.5000000 0.3036893), wk = 0.0030864 k( 105) = ( 0.6903618 0.5000000 0.3096382), wk = 0.0030864 k( 106) = ( 0.6844130 0.5000000 0.3155870), wk = 0.0030864 k( 107) = ( 0.6784642 0.5000000 0.3215358), wk = 0.0030864 k( 108) = ( 0.6725154 0.5000000 0.3274846), wk = 0.0030864 k( 109) = ( 0.6665666 0.5000000 0.3334334), wk = 0.0030864 k( 110) = ( 0.6606178 0.5000000 0.3393822), wk = 0.0030864 k( 111) = ( 0.6546690 0.5000000 0.3453310), wk = 0.0030864 k( 112) = ( 0.6487202 0.5000000 0.3512798), wk = 0.0030864 k( 113) = ( 0.6427714 0.5000000 0.3572286), wk = 0.0030864 k( 114) = ( 0.6368226 0.5000000 0.3631774), wk = 0.0030864 k( 115) = ( 0.6308738 0.5000000 0.3691262), wk = 0.0030864 k( 116) = ( 0.6249250 0.5000000 0.3750750), wk = 0.0030864 k( 117) = ( 0.6189761 0.5000000 0.3810238), wk = 0.0030864 k( 118) = ( 0.6130273 0.5000000 0.3869727), wk = 0.0030864 k( 119) = ( 0.6070785 0.5000000 0.3929215), wk = 0.0030864 k( 120) = ( 0.6011297 0.5000000 0.3988703), wk = 0.0030864 k( 121) = ( 0.5951809 0.5000000 0.4048191), wk = 0.0030864 k( 122) = ( 0.5892321 0.5000000 0.4107679), wk = 0.0030864 k( 123) = ( 0.5832833 0.5000000 0.4167167), wk = 0.0030864 k( 124) = ( 0.5773345 0.5000000 0.4226655), wk = 0.0030864 k( 125) = ( 0.5713857 0.5000000 0.4286143), wk = 0.0030864 k( 126) = ( 0.5654369 0.5000000 0.4345631), wk = 0.0030864 k( 127) = ( 0.5594881 0.5000000 0.4405119), wk = 0.0030864 k( 128) = ( 0.5535393 0.5000000 0.4464607), wk = 0.0030864 k( 129) = ( 0.5475905 0.5000000 0.4524095), wk = 0.0030864 k( 130) = ( 0.5416416 0.5000000 0.4583583), wk = 0.0030864 k( 131) = ( 0.5356928 0.5000000 0.4643071), wk = 0.0030864 k( 132) = ( 0.5297440 0.5000000 0.4702560), wk = 0.0030864 k( 133) = ( 0.5237952 0.5000000 0.4762048), wk = 0.0030864 k( 134) = ( 0.5178464 0.5000000 0.4821536), wk = 0.0030864 k( 135) = ( 0.5118976 0.5000000 0.4881024), wk = 0.0030864 k( 136) = ( 0.5059488 0.5000000 0.4940512), wk = 0.0030864 k( 137) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030864 k( 138) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030864 k( 139) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0030864 k( 140) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0030864 k( 141) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0030864 k( 142) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0030864 k( 143) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0030864 k( 144) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0030864 k( 145) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0030864 k( 146) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0030864 k( 147) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0030864 k( 148) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0030864 k( 149) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0030864 k( 150) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030864 k( 151) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0030864 k( 152) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0030864 k( 153) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0030864 k( 154) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0030864 k( 155) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0030864 k( 156) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0030864 k( 157) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0030864 k( 158) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0030864 k( 159) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0030864 k( 160) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0030864 k( 161) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0030864 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 164) = ( 0.0059027 -0.0000000 -0.0059027), wk = 0.0030864 k( 165) = ( 0.0118054 -0.0000000 -0.0118054), wk = 0.0030864 k( 166) = ( 0.0177081 -0.0000000 -0.0177081), wk = 0.0030864 k( 167) = ( 0.0236108 -0.0000000 -0.0236108), wk = 0.0030864 k( 168) = ( 0.0295135 -0.0000000 -0.0295135), wk = 0.0030864 k( 169) = ( 0.0354162 -0.0000000 -0.0354162), wk = 0.0030864 k( 170) = ( 0.0413189 -0.0000000 -0.0413189), wk = 0.0030864 k( 171) = ( 0.0472216 -0.0000000 -0.0472216), wk = 0.0030864 k( 172) = ( 0.0531243 -0.0000000 -0.0531243), wk = 0.0030864 k( 173) = ( 0.0590270 -0.0000000 -0.0590270), wk = 0.0030864 k( 174) = ( 0.0649297 -0.0000000 -0.0649297), wk = 0.0030864 k( 175) = ( 0.0708324 -0.0000000 -0.0708324), wk = 0.0030864 k( 176) = ( 0.0767351 -0.0000000 -0.0767351), wk = 0.0030864 k( 177) = ( 0.0826378 -0.0000000 -0.0826378), wk = 0.0030864 k( 178) = ( 0.0885405 -0.0000000 -0.0885405), wk = 0.0030864 k( 179) = ( 0.0944432 -0.0000000 -0.0944432), wk = 0.0030864 k( 180) = ( 0.1003459 -0.0000000 -0.1003459), wk = 0.0030864 k( 181) = ( 0.1062486 -0.0000000 -0.1062486), wk = 0.0030864 k( 182) = ( 0.1121513 -0.0000000 -0.1121513), wk = 0.0030864 k( 183) = ( 0.1180540 -0.0000000 -0.1180540), wk = 0.0030864 k( 184) = ( 0.1239567 -0.0000000 -0.1239567), wk = 0.0030864 k( 185) = ( 0.1298594 -0.0000000 -0.1298594), wk = 0.0030864 k( 186) = ( 0.1357621 -0.0000000 -0.1357621), wk = 0.0030864 k( 187) = ( 0.1416648 -0.0000000 -0.1416648), wk = 0.0030864 k( 188) = ( 0.1475675 -0.0000000 -0.1475675), wk = 0.0030864 k( 189) = ( 0.1534702 -0.0000000 -0.1534702), wk = 0.0030864 k( 190) = ( 0.1593729 -0.0000000 -0.1593729), wk = 0.0030864 k( 191) = ( 0.1652756 -0.0000000 -0.1652756), wk = 0.0030864 k( 192) = ( 0.1711783 0.0000000 -0.1711783), wk = 0.0030864 k( 193) = ( 0.1770810 -0.0000000 -0.1770810), wk = 0.0030864 k( 194) = ( 0.1829837 -0.0000000 -0.1829837), wk = 0.0030864 k( 195) = ( 0.1888864 -0.0000000 -0.1888864), wk = 0.0030864 k( 196) = ( 0.1947891 -0.0000000 -0.1947891), wk = 0.0030864 k( 197) = ( 0.2006918 -0.0000000 -0.2006918), wk = 0.0030864 k( 198) = ( 0.2065945 -0.0000000 -0.2065945), wk = 0.0030864 k( 199) = ( 0.2124972 -0.0000000 -0.2124972), wk = 0.0030864 k( 200) = ( 0.2183999 -0.0000000 -0.2183999), wk = 0.0030864 k( 201) = ( 0.2243026 -0.0000000 -0.2243026), wk = 0.0030864 k( 202) = ( 0.2302053 -0.0000000 -0.2302053), wk = 0.0030864 k( 203) = ( 0.2361080 -0.0000000 -0.2361080), wk = 0.0030864 k( 204) = ( 0.2420107 -0.0000000 -0.2420107), wk = 0.0030864 k( 205) = ( 0.2479134 -0.0000000 -0.2479134), wk = 0.0030864 k( 206) = ( 0.2538161 -0.0000000 -0.2538161), wk = 0.0030864 k( 207) = ( 0.2597188 -0.0000000 -0.2597188), wk = 0.0030864 k( 208) = ( 0.2656215 -0.0000000 -0.2656215), wk = 0.0030864 k( 209) = ( 0.2715242 -0.0000000 -0.2715242), wk = 0.0030864 k( 210) = ( 0.2774269 -0.0000000 -0.2774269), wk = 0.0030864 k( 211) = ( 0.2833296 -0.0000000 -0.2833296), wk = 0.0030864 k( 212) = ( 0.2892323 -0.0000000 -0.2892323), wk = 0.0030864 k( 213) = ( 0.2951350 -0.0000000 -0.2951350), wk = 0.0030864 k( 214) = ( 0.3010377 -0.0000000 -0.3010377), wk = 0.0030864 k( 215) = ( 0.3069404 -0.0000000 -0.3069404), wk = 0.0030864 k( 216) = ( 0.3128431 -0.0000000 -0.3128431), wk = 0.0030864 k( 217) = ( 0.3187458 -0.0000000 -0.3187458), wk = 0.0030864 k( 218) = ( 0.3246485 -0.0000000 -0.3246485), wk = 0.0030864 k( 219) = ( 0.3305512 -0.0000000 -0.3305512), wk = 0.0030864 k( 220) = ( 0.3364539 -0.0000000 -0.3364539), wk = 0.0030864 k( 221) = ( 0.3423566 0.0000000 -0.3423566), wk = 0.0030864 k( 222) = ( 0.6576434 0.3423566 -0.0000000), wk = 0.0030864 k( 223) = ( 0.6518048 0.3481952 -0.0000000), wk = 0.0030864 k( 224) = ( 0.6459661 0.3540339 -0.0000000), wk = 0.0030864 k( 225) = ( 0.6401275 0.3598725 -0.0000000), wk = 0.0030864 k( 226) = ( 0.6342888 0.3657112 -0.0000000), wk = 0.0030864 k( 227) = ( 0.6284502 0.3715498 -0.0000000), wk = 0.0030864 k( 228) = ( 0.6226115 0.3773885 -0.0000000), wk = 0.0030864 k( 229) = ( 0.6167729 0.3832271 -0.0000000), wk = 0.0030864 k( 230) = ( 0.6109342 0.3890658 -0.0000000), wk = 0.0030864 k( 231) = ( 0.6050956 0.3949044 0.0000000), wk = 0.0030864 k( 232) = ( 0.5992570 0.4007430 -0.0000000), wk = 0.0030864 k( 233) = ( 0.5934183 0.4065817 -0.0000000), wk = 0.0030864 k( 234) = ( 0.5875797 0.4124203 -0.0000000), wk = 0.0030864 k( 235) = ( 0.5817410 0.4182590 -0.0000000), wk = 0.0030864 k( 236) = ( 0.5759024 0.4240976 -0.0000000), wk = 0.0030864 k( 237) = ( 0.5700637 0.4299363 -0.0000000), wk = 0.0030864 k( 238) = ( 0.5642251 0.4357749 -0.0000000), wk = 0.0030864 k( 239) = ( 0.5583864 0.4416136 -0.0000000), wk = 0.0030864 k( 240) = ( 0.5525478 0.4474522 -0.0000000), wk = 0.0030864 k( 241) = ( 0.5467092 0.4532908 -0.0000000), wk = 0.0030864 k( 242) = ( 0.5408705 0.4591295 -0.0000000), wk = 0.0030864 k( 243) = ( 0.5350319 0.4649681 -0.0000000), wk = 0.0030864 k( 244) = ( 0.5291932 0.4708068 -0.0000000), wk = 0.0030864 k( 245) = ( 0.5233546 0.4766454 -0.0000000), wk = 0.0030864 k( 246) = ( 0.5175159 0.4824841 -0.0000000), wk = 0.0030864 k( 247) = ( 0.5116773 0.4883227 -0.0000000), wk = 0.0030864 k( 248) = ( 0.5058386 0.4941614 -0.0000000), wk = 0.0030864 k( 249) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030864 k( 250) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030864 k( 251) = ( 0.5175159 0.5175159 0.0205237), wk = 0.0030864 k( 252) = ( 0.5350319 0.5350319 0.0410474), wk = 0.0030864 k( 253) = ( 0.5525478 0.5525478 0.0615711), wk = 0.0030864 k( 254) = ( 0.5700637 0.5700637 0.0820948), wk = 0.0030864 k( 255) = ( 0.5875797 0.5875797 0.1026184), wk = 0.0030864 k( 256) = ( 0.6050956 0.6050956 0.1231421), wk = 0.0030864 k( 257) = ( 0.6226115 0.6226115 0.1436658), wk = 0.0030864 k( 258) = ( 0.6401275 0.6401275 0.1641895), wk = 0.0030864 k( 259) = ( 0.6576434 0.6576434 0.1847132), wk = 0.0030864 k( 260) = ( 0.6576434 0.6576434 0.1847132), wk = 0.0030864 k( 261) = ( 0.6542164 0.6542164 0.1915673), wk = 0.0030864 k( 262) = ( 0.6507893 0.6507893 0.1984213), wk = 0.0030864 k( 263) = ( 0.6473623 0.6473623 0.2052754), wk = 0.0030864 k( 264) = ( 0.6439353 0.6439353 0.2121294), wk = 0.0030864 k( 265) = ( 0.6405083 0.6405083 0.2189835), wk = 0.0030864 k( 266) = ( 0.6370812 0.6370812 0.2258376), wk = 0.0030864 k( 267) = ( 0.6336542 0.6336542 0.2326916), wk = 0.0030864 k( 268) = ( 0.6302272 0.6302272 0.2395457), wk = 0.0030864 k( 269) = ( 0.6268001 0.6268001 0.2463997), wk = 0.0030864 k( 270) = ( 0.6233731 0.6233731 0.2532538), wk = 0.0030864 k( 271) = ( 0.6199461 0.6199461 0.2601079), wk = 0.0030864 k( 272) = ( 0.6165190 0.6165190 0.2669619), wk = 0.0030864 k( 273) = ( 0.6130920 0.6130920 0.2738160), wk = 0.0030864 k( 274) = ( 0.6096650 0.6096650 0.2806701), wk = 0.0030864 k( 275) = ( 0.6062379 0.6062379 0.2875241), wk = 0.0030864 k( 276) = ( 0.6028109 0.6028109 0.2943782), wk = 0.0030864 k( 277) = ( 0.5993839 0.5993839 0.3012322), wk = 0.0030864 k( 278) = ( 0.5959568 0.5959568 0.3080863), wk = 0.0030864 k( 279) = ( 0.5925298 0.5925298 0.3149404), wk = 0.0030864 k( 280) = ( 0.5891028 0.5891028 0.3217944), wk = 0.0030864 k( 281) = ( 0.5856758 0.5856758 0.3286485), wk = 0.0030864 k( 282) = ( 0.5822487 0.5822487 0.3355025), wk = 0.0030864 k( 283) = ( 0.5788217 0.5788217 0.3423566), wk = 0.0030864 k( 284) = ( 0.5753947 0.5753947 0.3492107), wk = 0.0030864 k( 285) = ( 0.5719676 0.5719676 0.3560647), wk = 0.0030864 k( 286) = ( 0.5685406 0.5685406 0.3629188), wk = 0.0030864 k( 287) = ( 0.5651136 0.5651136 0.3697728), wk = 0.0030864 k( 288) = ( 0.5616866 0.5616866 0.3766269), wk = 0.0030864 k( 289) = ( 0.5582595 0.5582595 0.3834810), wk = 0.0030864 k( 290) = ( 0.5548325 0.5548325 0.3903350), wk = 0.0030864 k( 291) = ( 0.5514055 0.5514055 0.3971891), wk = 0.0030864 k( 292) = ( 0.5479784 0.5479784 0.4040431), wk = 0.0030864 k( 293) = ( 0.5445514 0.5445514 0.4108972), wk = 0.0030864 k( 294) = ( 0.5411244 0.5411244 0.4177513), wk = 0.0030864 k( 295) = ( 0.5376973 0.5376973 0.4246053), wk = 0.0030864 k( 296) = ( 0.5342703 0.5342703 0.4314594), wk = 0.0030864 k( 297) = ( 0.5308433 0.5308433 0.4383135), wk = 0.0030864 k( 298) = ( 0.5274162 0.5274162 0.4451675), wk = 0.0030864 k( 299) = ( 0.5239892 0.5239892 0.4520216), wk = 0.0030864 k( 300) = ( 0.5205622 0.5205622 0.4588756), wk = 0.0030864 k( 301) = ( 0.5171351 0.5171351 0.4657297), wk = 0.0030864 k( 302) = ( 0.5137081 0.5137081 0.4725838), wk = 0.0030864 k( 303) = ( 0.5102811 0.5102811 0.4794378), wk = 0.0030864 k( 304) = ( 0.5068541 0.5068541 0.4862919), wk = 0.0030864 k( 305) = ( 0.5034270 0.5034270 0.4931459), wk = 0.0030864 k( 306) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030864 k( 307) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0030864 k( 308) = ( 0.5185463 0.0201386 0.0201386), wk = 0.0030864 k( 309) = ( 0.5370926 0.0402772 0.0402772), wk = 0.0030864 k( 310) = ( 0.5556389 0.0604159 0.0604159), wk = 0.0030864 k( 311) = ( 0.5741851 0.0805545 0.0805545), wk = 0.0030864 k( 312) = ( 0.5927314 0.1006931 0.1006931), wk = 0.0030864 k( 313) = ( 0.6112777 0.1208317 0.1208317), wk = 0.0030864 k( 314) = ( 0.6298240 0.1409704 0.1409704), wk = 0.0030864 k( 315) = ( 0.6483703 0.1611090 0.1611090), wk = 0.0030864 k( 316) = ( 0.6669165 0.1812476 0.1812476), wk = 0.0030864 k( 317) = ( 0.6854628 0.2013862 0.2013862), wk = 0.0030864 k( 318) = ( 0.7040091 0.2215249 0.2215249), wk = 0.0030864 k( 319) = ( 0.7225554 0.2416635 0.2416635), wk = 0.0030864 k( 320) = ( 0.7411017 0.2618021 0.2618021), wk = 0.0030864 k( 321) = ( 0.7596479 0.2819407 0.2819407), wk = 0.0030864 k( 322) = ( 0.7781942 0.3020793 0.3020794), wk = 0.0030864 k( 323) = ( 0.7967405 0.3222180 0.3222180), wk = 0.0030864 k( 324) = ( 0.8152868 0.3423566 0.3423566), wk = 0.0030864 Dense grid: 73813 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 40079 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 286, 40) NL pseudopotentials 0.25 Mb ( 143, 116) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.02 Mb ( 2050) G-vector shells 0.01 Mb ( 1746) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.70 Mb ( 286, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.14 Mb ( 116, 2, 40) Check: negative/imaginary core charge= -0.000005 0.000000 The potential is recalculated from file : ./NaScS2.save/charge-density.dat Starting wfc are 46 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 4.7 secs Computing kpt #: 3 total cpu time spent up to now is 5.4 secs Computing kpt #: 4 total cpu time spent up to now is 6.0 secs Computing kpt #: 5 total cpu time spent up to now is 6.6 secs Computing kpt #: 6 total cpu time spent up to now is 7.2 secs Computing kpt #: 7 total cpu time spent up to now is 7.8 secs Computing kpt #: 8 total cpu time spent up to now is 8.4 secs Computing kpt #: 9 total cpu time spent up to now is 8.9 secs Computing kpt #: 10 total cpu time spent up to now is 9.5 secs Computing kpt #: 11 total cpu time spent up to now is 10.1 secs Computing kpt #: 12 total cpu time spent up to now is 10.6 secs Computing kpt #: 13 total cpu time spent up to now is 11.2 secs Computing kpt #: 14 total cpu time spent up to now is 11.8 secs Computing kpt #: 15 total cpu time spent up to now is 12.4 secs Computing kpt #: 16 total cpu time spent up to now is 12.9 secs Computing kpt #: 17 total cpu time spent up to now is 13.5 secs Computing kpt #: 18 total cpu time spent up to now is 14.1 secs Computing kpt #: 19 total cpu time spent up to now is 14.6 secs Computing kpt #: 20 total cpu time spent up to now is 15.3 secs Computing kpt #: 21 total cpu time spent up to now is 15.9 secs Computing kpt #: 22 total cpu time spent up to now is 16.5 secs Computing kpt #: 23 total cpu time spent up to now is 17.0 secs Computing kpt #: 24 total cpu time spent up to now is 17.6 secs Computing kpt #: 25 total cpu time spent up to now is 18.1 secs Computing kpt #: 26 total cpu time spent up to now is 18.7 secs Computing kpt #: 27 total cpu time spent up to now is 19.3 secs Computing kpt #: 28 total cpu time spent up to now is 19.8 secs Computing kpt #: 29 total cpu time spent up to now is 20.4 secs Computing kpt #: 30 total cpu time spent up to now is 21.0 secs Computing kpt #: 31 total cpu time spent up to now is 21.5 secs Computing kpt #: 32 total cpu time spent up to now is 22.1 secs Computing kpt #: 33 total cpu time spent up to now is 22.7 secs Computing kpt #: 34 total cpu time spent up to now is 23.3 secs Computing kpt #: 35 total cpu time spent up to now is 23.8 secs Computing kpt #: 36 total cpu time spent up to now is 24.4 secs Computing kpt #: 37 total cpu time spent up to now is 25.0 secs Computing kpt #: 38 total cpu time spent up to now is 25.6 secs Computing kpt #: 39 total cpu time spent up to now is 26.2 secs Computing kpt #: 40 total cpu time spent up to now is 26.9 secs Computing kpt #: 41 total cpu time spent up to now is 27.5 secs Computing kpt #: 42 total cpu time spent up to now is 28.1 secs Computing kpt #: 43 total cpu time spent up to now is 28.7 secs Computing kpt #: 44 total cpu time spent up to now is 29.3 secs Computing kpt #: 45 total cpu time spent up to now is 29.8 secs Computing kpt #: 46 total cpu time spent up to now is 30.4 secs Computing kpt #: 47 total cpu time spent up to now is 31.0 secs Computing kpt #: 48 total cpu time spent up to now is 31.6 secs Computing kpt #: 49 total cpu time spent up to now is 32.2 secs Computing kpt #: 50 total cpu time spent up to now is 32.8 secs Computing kpt #: 51 total cpu time spent up to now is 33.3 secs Computing kpt #: 52 total cpu time spent up to now is 33.9 secs Computing kpt #: 53 total cpu time spent up to now is 34.5 secs Computing kpt #: 54 total cpu time spent up to now is 35.1 secs Computing kpt #: 55 total cpu time spent up to now is 35.7 secs Computing kpt #: 56 total cpu time spent up to now is 36.2 secs Computing kpt #: 57 total cpu time spent up to now is 36.8 secs Computing kpt #: 58 total cpu time spent up to now is 37.4 secs Computing kpt #: 59 total cpu time spent up to now is 38.0 secs Computing kpt #: 60 total cpu time spent up to now is 38.6 secs Computing kpt #: 61 total cpu time spent up to now is 39.1 secs Computing kpt #: 62 total cpu time spent up to now is 39.7 secs Computing kpt #: 63 total cpu time spent up to now is 40.3 secs Computing kpt #: 64 total cpu time spent up to now is 40.8 secs Computing kpt #: 65 total cpu time spent up to now is 41.4 secs Computing kpt #: 66 total cpu time spent up to now is 42.0 secs Computing kpt #: 67 total cpu time spent up to now is 42.6 secs Computing kpt #: 68 total cpu time spent up to now is 43.1 secs Computing kpt #: 69 total cpu time spent up to now is 43.7 secs Computing kpt #: 70 total cpu time spent up to now is 44.3 secs Computing kpt #: 71 total cpu time spent up to now is 44.9 secs Computing kpt #: 72 total cpu time spent up to now is 45.5 secs Computing kpt #: 73 total cpu time spent up to now is 46.0 secs Computing kpt #: 74 total cpu time spent up to now is 46.6 secs Computing kpt #: 75 total cpu time spent up to now is 47.2 secs Computing kpt #: 76 total cpu time spent up to now is 47.8 secs Computing kpt #: 77 total cpu time spent up to now is 48.3 secs Computing kpt #: 78 total cpu time spent up to now is 48.9 secs Computing kpt #: 79 total cpu time spent up to now is 49.5 secs Computing kpt #: 80 total cpu time spent up to now is 50.1 secs Computing kpt #: 81 total cpu time spent up to now is 50.7 secs Computing kpt #: 82 total cpu time spent up to now is 51.2 secs Computing kpt #: 83 total cpu time spent up to now is 51.8 secs Computing kpt #: 84 total cpu time spent up to now is 52.4 secs Computing kpt #: 85 total cpu time spent up to now is 53.0 secs Computing kpt #: 86 total cpu time spent up to now is 53.6 secs Computing kpt #: 87 total cpu time spent up to now is 54.3 secs Computing kpt #: 88 total cpu time spent up to now is 54.9 secs Computing kpt #: 89 total cpu time spent up to now is 55.5 secs Computing kpt #: 90 total cpu time spent up to now is 56.0 secs Computing kpt #: 91 total cpu time spent up to now is 56.6 secs Computing kpt #: 92 total cpu time spent up to now is 57.2 secs Computing kpt #: 93 total cpu time spent up to now is 57.8 secs Computing kpt #: 94 total cpu time spent up to now is 58.4 secs Computing kpt #: 95 total cpu time spent up to now is 59.0 secs Computing kpt #: 96 total cpu time spent up to now is 59.6 secs Computing kpt #: 97 total cpu time spent up to now is 60.1 secs Computing kpt #: 98 total cpu time spent up to now is 60.7 secs Computing kpt #: 99 total cpu time spent up to now is 61.3 secs Computing kpt #: 100 total cpu time spent up to now is 61.9 secs Computing kpt #: 101 total cpu time spent up to now is 62.5 secs Computing kpt #: 102 total cpu time spent up to now is 63.1 secs Computing kpt #: 103 total cpu time spent up to now is 63.7 secs Computing kpt #: 104 total cpu time spent up to now is 64.3 secs Computing kpt #: 105 total cpu time spent up to now is 64.9 secs Computing kpt #: 106 total cpu time spent up to now is 65.6 secs Computing kpt #: 107 total cpu time spent up to now is 66.3 secs Computing kpt #: 108 total cpu time spent up to now is 66.9 secs Computing kpt #: 109 total cpu time spent up to now is 67.4 secs Computing kpt #: 110 total cpu time spent up to now is 68.0 secs Computing kpt #: 111 total cpu time spent up to now is 68.6 secs Computing kpt #: 112 total cpu time spent up to now is 69.2 secs Computing kpt #: 113 total cpu time spent up to now is 69.7 secs Computing kpt #: 114 total cpu time spent up to now is 70.3 secs Computing kpt #: 115 total cpu time spent up to now is 70.9 secs Computing kpt #: 116 total cpu time spent up to now is 71.4 secs Computing kpt #: 117 total cpu time spent up to now is 72.0 secs Computing kpt #: 118 total cpu time spent up to now is 72.5 secs Computing kpt #: 119 total cpu time spent up to now is 73.1 secs Computing kpt #: 120 total cpu time spent up to now is 73.7 secs Computing kpt #: 121 total cpu time spent up to now is 74.2 secs Computing kpt #: 122 total cpu time spent up to now is 74.8 secs Computing kpt #: 123 total cpu time spent up to now is 75.3 secs Computing kpt #: 124 total cpu time spent up to now is 75.9 secs Computing kpt #: 125 total cpu time spent up to now is 76.4 secs Computing kpt #: 126 total cpu time spent up to now is 77.0 secs Computing kpt #: 127 total cpu time spent up to now is 77.5 secs Computing kpt #: 128 total cpu time spent up to now is 78.1 secs Computing kpt #: 129 total cpu time spent up to now is 78.6 secs Computing kpt #: 130 total cpu time spent up to now is 79.2 secs Computing kpt #: 131 total cpu time spent up to now is 79.8 secs Computing kpt #: 132 total cpu time spent up to now is 80.6 secs Computing kpt #: 133 total cpu time spent up to now is 81.2 secs Computing kpt #: 134 total cpu time spent up to now is 81.8 secs Computing kpt #: 135 total cpu time spent up to now is 82.4 secs Computing kpt #: 136 total cpu time spent up to now is 83.0 secs Computing kpt #: 137 total cpu time spent up to now is 83.6 secs Computing kpt #: 138 total cpu time spent up to now is 84.2 secs Computing kpt #: 139 total cpu time spent up to now is 84.9 secs Computing kpt #: 140 total cpu time spent up to now is 85.6 secs Computing kpt #: 141 total cpu time spent up to now is 86.3 secs Computing kpt #: 142 total cpu time spent up to now is 87.0 secs Computing kpt #: 143 total cpu time spent up to now is 87.7 secs Computing kpt #: 144 total cpu time spent up to now is 88.3 secs Computing kpt #: 145 total cpu time spent up to now is 88.9 secs Computing kpt #: 146 total cpu time spent up to now is 89.6 secs Computing kpt #: 147 total cpu time spent up to now is 90.3 secs Computing kpt #: 148 total cpu time spent up to now is 90.9 secs Computing kpt #: 149 total cpu time spent up to now is 91.5 secs Computing kpt #: 150 total cpu time spent up to now is 92.1 secs Computing kpt #: 151 total cpu time spent up to now is 92.7 secs Computing kpt #: 152 total cpu time spent up to now is 93.3 secs Computing kpt #: 153 total cpu time spent up to now is 93.9 secs Computing kpt #: 154 total cpu time spent up to now is 94.6 secs Computing kpt #: 155 total cpu time spent up to now is 95.2 secs Computing kpt #: 156 total cpu time spent up to now is 95.8 secs Computing kpt #: 157 total cpu time spent up to now is 96.5 secs Computing kpt #: 158 total cpu time spent up to now is 97.2 secs Computing kpt #: 159 total cpu time spent up to now is 97.8 secs Computing kpt #: 160 total cpu time spent up to now is 98.5 secs Computing kpt #: 161 total cpu time spent up to now is 99.2 secs Computing kpt #: 162 total cpu time spent up to now is 99.9 secs Computing kpt #: 163 total cpu time spent up to now is 100.6 secs Computing kpt #: 164 total cpu time spent up to now is 101.3 secs Computing kpt #: 165 total cpu time spent up to now is 102.0 secs Computing kpt #: 166 total cpu time spent up to now is 102.7 secs Computing kpt #: 167 total cpu time spent up to now is 103.3 secs Computing kpt #: 168 total cpu time spent up to now is 104.0 secs Computing kpt #: 169 total cpu time spent up to now is 104.6 secs Computing kpt #: 170 total cpu time spent up to now is 105.2 secs Computing kpt #: 171 total cpu time spent up to now is 105.9 secs Computing kpt #: 172 total cpu time spent up to now is 106.6 secs Computing kpt #: 173 total cpu time spent up to now is 107.2 secs Computing kpt #: 174 total cpu time spent up to now is 107.8 secs Computing kpt #: 175 total cpu time spent up to now is 108.4 secs Computing kpt #: 176 total cpu time spent up to now is 109.0 secs Computing kpt #: 177 total cpu time spent up to now is 109.6 secs Computing kpt #: 178 total cpu time spent up to now is 110.3 secs Computing kpt #: 179 total cpu time spent up to now is 110.9 secs Computing kpt #: 180 total cpu time spent up to now is 111.5 secs Computing kpt #: 181 total cpu time spent up to now is 112.1 secs Computing kpt #: 182 total cpu time spent up to now is 112.7 secs Computing kpt #: 183 total cpu time spent up to now is 113.3 secs Computing kpt #: 184 total cpu time spent up to now is 113.8 secs Computing kpt #: 185 total cpu time spent up to now is 114.4 secs Computing kpt #: 186 total cpu time spent up to now is 115.0 secs Computing kpt #: 187 total cpu time spent up to now is 115.6 secs Computing kpt #: 188 total cpu time spent up to now is 116.2 secs Computing kpt #: 189 total cpu time spent up to now is 116.7 secs Computing kpt #: 190 total cpu time spent up to now is 117.3 secs Computing kpt #: 191 total cpu time spent up to now is 117.8 secs Computing kpt #: 192 total cpu time spent up to now is 118.4 secs Computing kpt #: 193 total cpu time spent up to now is 119.0 secs Computing kpt #: 194 total cpu time spent up to now is 119.5 secs Computing kpt #: 195 total cpu time spent up to now is 120.1 secs Computing kpt #: 196 total cpu time spent up to now is 120.6 secs Computing kpt #: 197 total cpu time spent up to now is 121.2 secs Computing kpt #: 198 total cpu time spent up to now is 121.7 secs Computing kpt #: 199 total cpu time spent up to now is 122.3 secs Computing kpt #: 200 total cpu time spent up to now is 122.8 secs Computing kpt #: 201 total cpu time spent up to now is 123.4 secs Computing kpt #: 202 total cpu time spent up to now is 123.9 secs Computing kpt #: 203 total cpu time spent up to now is 124.5 secs Computing kpt #: 204 total cpu time spent up to now is 125.0 secs Computing kpt #: 205 total cpu time spent up to now is 125.6 secs Computing kpt #: 206 total cpu time spent up to now is 126.1 secs Computing kpt #: 207 total cpu time spent up to now is 126.7 secs Computing kpt #: 208 total cpu time spent up to now is 127.2 secs Computing kpt #: 209 total cpu time spent up to now is 127.8 secs Computing kpt #: 210 total cpu time spent up to now is 128.3 secs Computing kpt #: 211 total cpu time spent up to now is 128.9 secs Computing kpt #: 212 total cpu time spent up to now is 129.5 secs Computing kpt #: 213 total cpu time spent up to now is 130.0 secs Computing kpt #: 214 total cpu time spent up to now is 130.6 secs Computing kpt #: 215 total cpu time spent up to now is 131.1 secs Computing kpt #: 216 total cpu time spent up to now is 131.7 secs Computing kpt #: 217 total cpu time spent up to now is 132.3 secs Computing kpt #: 218 total cpu time spent up to now is 132.8 secs Computing kpt #: 219 total cpu time spent up to now is 133.4 secs Computing kpt #: 220 total cpu time spent up to now is 134.0 secs Computing kpt #: 221 total cpu time spent up to now is 134.6 secs Computing kpt #: 222 total cpu time spent up to now is 135.1 secs Computing kpt #: 223 total cpu time spent up to now is 135.7 secs Computing kpt #: 224 total cpu time spent up to now is 136.4 secs Computing kpt #: 225 total cpu time spent up to now is 137.0 secs Computing kpt #: 226 total cpu time spent up to now is 137.6 secs Computing kpt #: 227 total cpu time spent up to now is 138.2 secs Computing kpt #: 228 total cpu time spent up to now is 138.8 secs Computing kpt #: 229 total cpu time spent up to now is 139.4 secs Computing kpt #: 230 total cpu time spent up to now is 139.9 secs Computing kpt #: 231 total cpu time spent up to now is 140.5 secs Computing kpt #: 232 total cpu time spent up to now is 141.1 secs Computing kpt #: 233 total cpu time spent up to now is 141.7 secs Computing kpt #: 234 total cpu time spent up to now is 142.2 secs Computing kpt #: 235 total cpu time spent up to now is 142.8 secs Computing kpt #: 236 total cpu time spent up to now is 143.4 secs Computing kpt #: 237 total cpu time spent up to now is 143.9 secs Computing kpt #: 238 total cpu time spent up to now is 144.5 secs Computing kpt #: 239 total cpu time spent up to now is 145.0 secs Computing kpt #: 240 total cpu time spent up to now is 145.6 secs Computing kpt #: 241 total cpu time spent up to now is 146.2 secs Computing kpt #: 242 total cpu time spent up to now is 146.7 secs Computing kpt #: 243 total cpu time spent up to now is 147.3 secs Computing kpt #: 244 total cpu time spent up to now is 147.9 secs Computing kpt #: 245 total cpu time spent up to now is 148.5 secs Computing kpt #: 246 total cpu time spent up to now is 149.0 secs Computing kpt #: 247 total cpu time spent up to now is 149.6 secs Computing kpt #: 248 total cpu time spent up to now is 150.2 secs Computing kpt #: 249 total cpu time spent up to now is 150.7 secs Computing kpt #: 250 total cpu time spent up to now is 151.3 secs Computing kpt #: 251 total cpu time spent up to now is 151.8 secs Computing kpt #: 252 total cpu time spent up to now is 152.4 secs Computing kpt #: 253 total cpu time spent up to now is 153.0 secs Computing kpt #: 254 total cpu time spent up to now is 153.5 secs Computing kpt #: 255 total cpu time spent up to now is 154.1 secs Computing kpt #: 256 total cpu time spent up to now is 154.7 secs Computing kpt #: 257 total cpu time spent up to now is 155.3 secs Computing kpt #: 258 total cpu time spent up to now is 155.8 secs Computing kpt #: 259 total cpu time spent up to now is 156.4 secs Computing kpt #: 260 total cpu time spent up to now is 157.0 secs Computing kpt #: 261 total cpu time spent up to now is 157.6 secs Computing kpt #: 262 total cpu time spent up to now is 158.1 secs Computing kpt #: 263 total cpu time spent up to now is 158.7 secs Computing kpt #: 264 total cpu time spent up to now is 159.3 secs Computing kpt #: 265 total cpu time spent up to now is 159.9 secs Computing kpt #: 266 total cpu time spent up to now is 160.5 secs Computing kpt #: 267 total cpu time spent up to now is 161.2 secs Computing kpt #: 268 total cpu time spent up to now is 161.9 secs Computing kpt #: 269 total cpu time spent up to now is 162.6 secs Computing kpt #: 270 total cpu time spent up to now is 163.4 secs Computing kpt #: 271 total cpu time spent up to now is 164.0 secs Computing kpt #: 272 total cpu time spent up to now is 164.5 secs Computing kpt #: 273 total cpu time spent up to now is 165.1 secs Computing kpt #: 274 total cpu time spent up to now is 165.7 secs Computing kpt #: 275 total cpu time spent up to now is 166.3 secs Computing kpt #: 276 total cpu time spent up to now is 166.9 secs Computing kpt #: 277 total cpu time spent up to now is 167.4 secs Computing kpt #: 278 total cpu time spent up to now is 168.0 secs Computing kpt #: 279 total cpu time spent up to now is 168.6 secs Computing kpt #: 280 total cpu time spent up to now is 169.1 secs Computing kpt #: 281 total cpu time spent up to now is 169.7 secs Computing kpt #: 282 total cpu time spent up to now is 170.2 secs Computing kpt #: 283 total cpu time spent up to now is 170.8 secs Computing kpt #: 284 total cpu time spent up to now is 171.3 secs Computing kpt #: 285 total cpu time spent up to now is 171.9 secs Computing kpt #: 286 total cpu time spent up to now is 172.4 secs Computing kpt #: 287 total cpu time spent up to now is 172.9 secs Computing kpt #: 288 total cpu time spent up to now is 173.5 secs Computing kpt #: 289 total cpu time spent up to now is 174.0 secs Computing kpt #: 290 total cpu time spent up to now is 174.6 secs Computing kpt #: 291 total cpu time spent up to now is 175.1 secs Computing kpt #: 292 total cpu time spent up to now is 175.7 secs Computing kpt #: 293 total cpu time spent up to now is 176.2 secs Computing kpt #: 294 total cpu time spent up to now is 176.8 secs Computing kpt #: 295 total cpu time spent up to now is 177.3 secs Computing kpt #: 296 total cpu time spent up to now is 177.9 secs Computing kpt #: 297 total cpu time spent up to now is 178.4 secs Computing kpt #: 298 total cpu time spent up to now is 179.0 secs Computing kpt #: 299 total cpu time spent up to now is 179.6 secs Computing kpt #: 300 total cpu time spent up to now is 180.1 secs Computing kpt #: 301 total cpu time spent up to now is 180.7 secs Computing kpt #: 302 total cpu time spent up to now is 181.3 secs Computing kpt #: 303 total cpu time spent up to now is 181.9 secs Computing kpt #: 304 total cpu time spent up to now is 182.5 secs Computing kpt #: 305 total cpu time spent up to now is 183.2 secs Computing kpt #: 306 total cpu time spent up to now is 183.8 secs Computing kpt #: 307 total cpu time spent up to now is 184.4 secs Computing kpt #: 308 total cpu time spent up to now is 185.0 secs Computing kpt #: 309 total cpu time spent up to now is 185.6 secs Computing kpt #: 310 total cpu time spent up to now is 186.2 secs Computing kpt #: 311 total cpu time spent up to now is 186.7 secs Computing kpt #: 312 total cpu time spent up to now is 187.3 secs Computing kpt #: 313 total cpu time spent up to now is 187.9 secs Computing kpt #: 314 total cpu time spent up to now is 188.4 secs Computing kpt #: 315 total cpu time spent up to now is 189.0 secs Computing kpt #: 316 total cpu time spent up to now is 189.6 secs Computing kpt #: 317 total cpu time spent up to now is 190.2 secs Computing kpt #: 318 total cpu time spent up to now is 190.8 secs Computing kpt #: 319 total cpu time spent up to now is 191.4 secs Computing kpt #: 320 total cpu time spent up to now is 191.9 secs Computing kpt #: 321 total cpu time spent up to now is 192.5 secs Computing kpt #: 322 total cpu time spent up to now is 193.1 secs Computing kpt #: 323 total cpu time spent up to now is 193.7 secs Computing kpt #: 324 total cpu time spent up to now is 194.3 secs ethr = 3.13E-08, avg # of iterations = 17.5 total cpu time spent up to now is 194.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5007 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5519 -21.5519 -21.5106 -21.5106 -16.7335 -16.7335 -16.5569 -16.5569 -16.5536 -16.5536 -6.2326 -6.2326 -5.2233 -5.2233 2.0487 2.0487 4.2257 4.2257 4.2632 4.2632 5.5578 5.5578 5.9193 5.9193 5.9804 5.9804 8.3723 8.3723 8.3726 8.3726 8.6397 8.6397 10.3463 10.3463 k = 0.0100-0.0164-0.0100 ( 5023 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5519 -21.5519 -21.5106 -21.5106 -16.7336 -16.7336 -16.5569 -16.5569 -16.5537 -16.5537 -6.2318 -6.2318 -5.2232 -5.2232 2.0499 2.0499 4.2242 4.2242 4.2618 4.2618 5.5589 5.5589 5.9152 5.9152 5.9763 5.9763 8.3731 8.3731 8.3745 8.3745 8.6404 8.6404 10.3432 10.3432 k = 0.0200-0.0328-0.0199 ( 5021 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0438 -22.0438 -21.5519 -21.5519 -21.5108 -21.5108 -16.7336 -16.7336 -16.5569 -16.5569 -16.5538 -16.5538 -6.2293 -6.2293 -5.2229 -5.2229 2.0535 2.0535 4.2193 4.2193 4.2586 4.2586 5.5622 5.5622 5.9022 5.9022 5.9649 5.9649 8.3750 8.3750 8.3809 8.3809 8.6426 8.6426 10.3308 10.3308 k = 0.0300-0.0491-0.0299 ( 5028 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0439 -22.0439 -21.5520 -21.5520 -21.5111 -21.5111 -16.7337 -16.7337 -16.5570 -16.5570 -16.5539 -16.5539 -6.2252 -6.2252 -5.2223 -5.2223 2.0596 2.0596 4.2093 4.2093 4.2554 4.2554 5.5673 5.5673 5.8782 5.8782 5.9488 5.9488 8.3778 8.3778 8.3915 8.3915 8.6463 8.6463 10.3082 10.3082 k = 0.0400-0.0655-0.0398 ( 5028 PWs) bands (ev): -44.6872 -44.6872 -43.1211 -43.1211 -22.0441 -22.0441 -21.5521 -21.5521 -21.5115 -21.5115 -16.7338 -16.7338 -16.5570 -16.5570 -16.5540 -16.5540 -6.2195 -6.2195 -5.2216 -5.2216 2.0680 2.0680 4.1930 4.1930 4.2535 4.2535 5.5737 5.5737 5.8418 5.8418 5.9303 5.9303 8.3811 8.3811 8.4060 8.4060 8.6518 8.6518 10.2780 10.2780 k = 0.0500-0.0819-0.0498 ( 5026 PWs) bands (ev): -44.6872 -44.6872 -43.1211 -43.1211 -22.0444 -22.0444 -21.5522 -21.5522 -21.5121 -21.5121 -16.7338 -16.7338 -16.5570 -16.5570 -16.5542 -16.5542 -6.2121 -6.2121 -5.2206 -5.2206 2.0787 2.0787 4.1709 4.1709 4.2531 4.2531 5.5808 5.5808 5.7937 5.7937 5.9101 5.9101 8.3843 8.3843 8.4243 8.4243 8.6593 8.6593 10.2428 10.2428 k = 0.0600-0.0983-0.0597 ( 5018 PWs) bands (ev): -44.6872 -44.6872 -43.1210 -43.1210 -22.0446 -22.0446 -21.5523 -21.5523 -21.5127 -21.5127 -16.7339 -16.7339 -16.5570 -16.5570 -16.5543 -16.5543 -6.2032 -6.2032 -5.2194 -5.2194 2.0918 2.0918 4.1438 4.1438 4.2538 4.2538 5.5871 5.5871 5.7360 5.7360 5.8881 5.8881 8.3866 8.3866 8.4461 8.4461 8.6690 8.6690 10.2048 10.2048 k = 0.0700-0.1146-0.0697 ( 5016 PWs) bands (ev): -44.6872 -44.6872 -43.1209 -43.1209 -22.0450 -22.0450 -21.5524 -21.5524 -21.5134 -21.5134 -16.7340 -16.7340 -16.5571 -16.5571 -16.5546 -16.5546 -6.1927 -6.1927 -5.2180 -5.2180 2.1072 2.1072 4.1125 4.1125 4.2552 4.2552 5.5882 5.5882 5.6742 5.6742 5.8641 5.8641 8.3876 8.3876 8.4710 8.4710 8.6810 8.6810 10.1654 10.1654 k = 0.0800-0.1310-0.0796 ( 5010 PWs) bands (ev): -44.6871 -44.6871 -43.1208 -43.1208 -22.0454 -22.0454 -21.5526 -21.5526 -21.5143 -21.5143 -16.7342 -16.7342 -16.5571 -16.5571 -16.5548 -16.5548 -6.1807 -6.1807 -5.2164 -5.2164 2.1249 2.1249 4.0777 4.0777 4.2572 4.2572 5.5603 5.5603 5.6327 5.6327 5.8380 5.8380 8.3869 8.3869 8.4988 8.4988 8.6954 8.6954 10.1262 10.1262 k = 0.0900-0.1474-0.0896 ( 5011 PWs) bands (ev): -44.6871 -44.6871 -43.1207 -43.1207 -22.0458 -22.0458 -21.5528 -21.5528 -21.5152 -21.5152 -16.7343 -16.7343 -16.5572 -16.5572 -16.5550 -16.5550 -6.1671 -6.1671 -5.2146 -5.2146 2.1448 2.1448 4.0400 4.0400 4.2595 4.2595 5.4888 5.4888 5.6268 5.6268 5.8101 5.8101 8.3843 8.3843 8.5290 8.5290 8.7121 8.7121 10.0882 10.0882 k = 0.1000-0.1638-0.0995 ( 5013 PWs) bands (ev): -44.6871 -44.6871 -43.1205 -43.1205 -22.0463 -22.0463 -21.5530 -21.5530 -21.5162 -21.5162 -16.7345 -16.7345 -16.5573 -16.5573 -16.5553 -16.5553 -6.1521 -6.1521 -5.2126 -5.2126 2.1669 2.1669 4.0000 4.0000 4.2622 4.2622 5.4023 5.4023 5.6282 5.6282 5.7806 5.7806 8.3796 8.3796 8.5613 8.5613 8.7309 8.7309 10.0522 10.0522 k = 0.1100-0.1801-0.1095 ( 5014 PWs) bands (ev): -44.6871 -44.6871 -43.1204 -43.1204 -22.0468 -22.0468 -21.5533 -21.5533 -21.5173 -21.5173 -16.7347 -16.7347 -16.5575 -16.5575 -16.5555 -16.5555 -6.1356 -6.1356 -5.2104 -5.2104 2.1911 2.1911 3.9582 3.9582 4.2652 4.2652 5.3091 5.3091 5.6289 5.6289 5.7501 5.7501 8.3731 8.3731 8.5953 8.5953 8.7517 8.7517 10.0189 10.0189 k = 0.1200-0.1965-0.1194 ( 5017 PWs) bands (ev): -44.6871 -44.6871 -43.1202 -43.1202 -22.0474 -22.0474 -21.5536 -21.5536 -21.5185 -21.5185 -16.7350 -16.7350 -16.5578 -16.5578 -16.5557 -16.5557 -6.1178 -6.1178 -5.2080 -5.2080 2.2174 2.2174 3.9150 3.9150 4.2684 4.2684 5.2113 5.2113 5.6268 5.6268 5.7192 5.7192 8.3647 8.3647 8.6307 8.6307 8.7742 8.7742 9.9889 9.9889 k = 0.1300-0.2129-0.1294 ( 5009 PWs) bands (ev): -44.6870 -44.6870 -43.1201 -43.1201 -22.0480 -22.0480 -21.5539 -21.5539 -21.5197 -21.5197 -16.7352 -16.7352 -16.5581 -16.5581 -16.5558 -16.5558 -6.0986 -6.0986 -5.2054 -5.2054 2.2456 2.2456 3.8707 3.8707 4.2718 4.2718 5.1101 5.1101 5.6200 5.6200 5.6893 5.6893 8.3547 8.3547 8.6671 8.6671 8.7983 8.7983 9.9624 9.9624 k = 0.1400-0.2293-0.1393 ( 5015 PWs) bands (ev): -44.6870 -44.6870 -43.1199 -43.1199 -22.0487 -22.0487 -21.5543 -21.5543 -21.5210 -21.5210 -16.7354 -16.7354 -16.5586 -16.5586 -16.5559 -16.5559 -6.0781 -6.0781 -5.2027 -5.2027 2.2758 2.2758 3.8258 3.8258 4.2753 4.2753 5.0064 5.0064 5.6061 5.6061 5.6626 5.6626 8.3430 8.3430 8.7041 8.7041 8.8238 8.8238 9.9399 9.9399 k = 0.1500-0.2456-0.1493 ( 5015 PWs) bands (ev): -44.6870 -44.6870 -43.1197 -43.1197 -22.0494 -22.0494 -21.5547 -21.5547 -21.5223 -21.5223 -16.7357 -16.7357 -16.5590 -16.5590 -16.5560 -16.5560 -6.0564 -6.0564 -5.1997 -5.1997 2.3077 2.3077 3.7805 3.7805 4.2789 4.2789 4.9008 4.9008 5.5834 5.5834 5.6408 5.6408 8.3300 8.3300 8.7415 8.7415 8.8506 8.8506 9.9214 9.9214 k = 0.1600-0.2620-0.1592 ( 5010 PWs) bands (ev): -44.6869 -44.6869 -43.1195 -43.1195 -22.0501 -22.0501 -21.5552 -21.5552 -21.5236 -21.5236 -16.7360 -16.7360 -16.5595 -16.5595 -16.5560 -16.5560 -6.0335 -6.0335 -5.1967 -5.1967 2.3414 2.3414 3.7352 3.7352 4.2825 4.2825 4.7939 4.7939 5.5538 5.5538 5.6219 5.6219 8.3158 8.3158 8.7790 8.7790 8.8786 8.8786 9.9070 9.9070 k = 0.1700-0.2784-0.1692 ( 5006 PWs) bands (ev): -44.6869 -44.6869 -43.1194 -43.1194 -22.0509 -22.0509 -21.5557 -21.5557 -21.5249 -21.5249 -16.7362 -16.7362 -16.5600 -16.5600 -16.5560 -16.5560 -6.0095 -6.0095 -5.1934 -5.1934 2.3767 2.3767 3.6900 3.6900 4.2861 4.2861 4.6864 4.6864 5.5208 5.5208 5.6027 5.6027 8.3006 8.3006 8.8161 8.8161 8.9077 8.9077 9.8967 9.8967 k = 0.1800-0.2948-0.1792 ( 5008 PWs) bands (ev): -44.6869 -44.6869 -43.1191 -43.1191 -22.0517 -22.0517 -21.5563 -21.5563 -21.5263 -21.5263 -16.7365 -16.7365 -16.5606 -16.5606 -16.5560 -16.5560 -5.9844 -5.9844 -5.1901 -5.1901 2.4134 2.4134 3.6452 3.6452 4.2896 4.2896 4.5787 4.5787 5.4862 5.4862 5.5814 5.5814 8.2844 8.2844 8.8527 8.8527 8.9378 8.9378 9.8903 9.8903 k = 0.1900-0.3111-0.1891 ( 5011 PWs) bands (ev): -44.6868 -44.6868 -43.1189 -43.1189 -22.0526 -22.0526 -21.5570 -21.5570 -21.5276 -21.5276 -16.7369 -16.7369 -16.5612 -16.5612 -16.5560 -16.5560 -5.9584 -5.9584 -5.1866 -5.1866 2.4514 2.4514 3.6010 3.6010 4.2931 4.2931 4.4712 4.4712 5.4510 5.4510 5.5572 5.5572 8.2675 8.2675 8.8886 8.8886 8.9689 8.9689 9.8877 9.8877 k = 0.2000-0.3275-0.1991 ( 5011 PWs) bands (ev): -44.6868 -44.6868 -43.1187 -43.1187 -22.0534 -22.0534 -21.5577 -21.5577 -21.5289 -21.5289 -16.7372 -16.7372 -16.5618 -16.5618 -16.5560 -16.5560 -5.9315 -5.9315 -5.1830 -5.1830 2.4905 2.4905 3.5576 3.5576 4.2962 4.2962 4.3647 4.3647 5.4158 5.4158 5.5299 5.5299 8.2501 8.2501 8.9236 8.9236 9.0010 9.0010 9.8887 9.8887 k = 0.2100-0.3439-0.2090 ( 5009 PWs) bands (ev): -44.6868 -44.6868 -43.1185 -43.1185 -22.0543 -22.0543 -21.5585 -21.5585 -21.5301 -21.5301 -16.7375 -16.7375 -16.5625 -16.5625 -16.5560 -16.5560 -5.9038 -5.9038 -5.1793 -5.1793 2.5306 2.5306 3.5152 3.5152 4.2582 4.2582 4.3003 4.3003 5.3809 5.3809 5.4994 5.4994 8.2322 8.2322 8.9575 8.9575 9.0339 9.0339 9.8930 9.8930 k = 0.2200-0.3603-0.2190 ( 5003 PWs) bands (ev): -44.6867 -44.6867 -43.1183 -43.1183 -22.0553 -22.0553 -21.5594 -21.5594 -21.5313 -21.5313 -16.7378 -16.7378 -16.5631 -16.5631 -16.5559 -16.5559 -5.8754 -5.8754 -5.1755 -5.1755 2.5712 2.5712 3.4739 3.4739 4.1546 4.1546 4.3028 4.3028 5.3464 5.3464 5.4659 5.4659 8.2140 8.2140 8.9901 8.9901 9.0676 9.0676 9.9004 9.9004 k = 0.2300-0.3766-0.2289 ( 5003 PWs) bands (ev): -44.6867 -44.6867 -43.1181 -43.1181 -22.0562 -22.0562 -21.5604 -21.5604 -21.5324 -21.5324 -16.7382 -16.7382 -16.5637 -16.5637 -16.5559 -16.5559 -5.8464 -5.8464 -5.1717 -5.1717 2.6122 2.6122 3.4340 3.4340 4.0527 4.0527 4.3054 4.3054 5.3125 5.3125 5.4295 5.4295 8.1956 8.1956 9.0214 9.0214 9.1019 9.1019 9.9107 9.9107 k = 0.2400-0.3930-0.2389 ( 5004 PWs) bands (ev): -44.6866 -44.6866 -43.1178 -43.1178 -22.0572 -22.0572 -21.5614 -21.5614 -21.5334 -21.5334 -16.7386 -16.7386 -16.5644 -16.5644 -16.5559 -16.5559 -5.8168 -5.8168 -5.1678 -5.1678 2.6530 2.6530 3.3957 3.3957 3.9533 3.9533 4.3078 4.3078 5.2793 5.2793 5.3905 5.3905 8.1772 8.1772 9.0512 9.0512 9.1367 9.1367 9.9235 9.9235 k = 0.2500-0.4094-0.2488 ( 5004 PWs) bands (ev): -44.6866 -44.6866 -43.1176 -43.1176 -22.0581 -22.0581 -21.5625 -21.5625 -21.5344 -21.5344 -16.7389 -16.7389 -16.5651 -16.5651 -16.5558 -16.5558 -5.7868 -5.7868 -5.1638 -5.1638 2.6930 2.6930 3.3593 3.3593 3.8568 3.8568 4.3098 4.3098 5.2470 5.2470 5.3492 5.3492 8.1589 8.1589 9.0794 9.0794 9.1718 9.1718 9.9387 9.9387 k = 0.2600-0.4258-0.2588 ( 5001 PWs) bands (ev): -44.6866 -44.6866 -43.1174 -43.1174 -22.0591 -22.0591 -21.5637 -21.5637 -21.5353 -21.5353 -16.7393 -16.7393 -16.5657 -16.5657 -16.5558 -16.5558 -5.7565 -5.7565 -5.1599 -5.1599 2.7314 2.7314 3.3253 3.3253 3.7639 3.7639 4.3114 4.3114 5.2153 5.2153 5.3060 5.3060 8.1408 8.1408 9.1062 9.1062 9.2069 9.2069 9.9562 9.9562 k = 0.2700-0.4421-0.2687 ( 5009 PWs) bands (ev): -44.6865 -44.6865 -43.1172 -43.1172 -22.0601 -22.0601 -21.5650 -21.5650 -21.5361 -21.5361 -16.7397 -16.7397 -16.5664 -16.5664 -16.5558 -16.5558 -5.7260 -5.7260 -5.1560 -5.1560 2.7669 2.7669 3.2944 3.2944 3.6753 3.6753 4.3126 4.3126 5.1842 5.1842 5.2616 5.2616 8.1230 8.1230 9.1313 9.1313 9.2416 9.2416 9.9758 9.9758 k = 0.2800-0.4585-0.2787 ( 5014 PWs) bands (ev): -44.6865 -44.6865 -43.1169 -43.1169 -22.0611 -22.0611 -21.5663 -21.5663 -21.5369 -21.5369 -16.7400 -16.7400 -16.5671 -16.5671 -16.5558 -16.5558 -5.6954 -5.6954 -5.1521 -5.1521 2.7978 2.7978 3.2676 3.2676 3.5919 3.5919 4.3134 4.3134 5.1530 5.1530 5.2169 5.2169 8.1056 8.1056 9.1549 9.1549 9.2758 9.2758 9.9975 9.9975 k = 0.2900-0.4749-0.2886 ( 5016 PWs) bands (ev): -44.6865 -44.6865 -43.1167 -43.1167 -22.0621 -22.0621 -21.5676 -21.5676 -21.5375 -21.5375 -16.7404 -16.7404 -16.5677 -16.5677 -16.5557 -16.5557 -5.6647 -5.6647 -5.1483 -5.1483 2.8216 2.8216 3.2466 3.2466 3.5146 3.5146 4.3138 4.3138 5.1201 5.1201 5.1738 5.1738 8.0886 8.0886 9.1769 9.1769 9.3089 9.3089 10.0214 10.0214 k = 0.3000-0.4913-0.2986 ( 5022 PWs) bands (ev): -44.6864 -44.6864 -43.1165 -43.1165 -22.0630 -22.0630 -21.5690 -21.5690 -21.5381 -21.5381 -16.7408 -16.7408 -16.5684 -16.5684 -16.5557 -16.5557 -5.6342 -5.6342 -5.1446 -5.1446 2.8352 2.8352 3.2329 3.2329 3.4449 3.4449 4.3137 4.3137 5.0830 5.0830 5.1354 5.1354 8.0722 8.0722 9.1975 9.1975 9.3406 9.3406 10.0475 10.0475 k = 0.3100-0.5076-0.3085 ( 5013 PWs) bands (ev): -44.6864 -44.6864 -43.1163 -43.1163 -22.0640 -22.0640 -21.5703 -21.5703 -21.5386 -21.5386 -16.7411 -16.7411 -16.5689 -16.5689 -16.5556 -16.5556 -5.6040 -5.6040 -5.1410 -5.1410 2.8359 2.8359 3.2270 3.2270 3.3853 3.3853 4.3132 4.3132 5.0400 5.0400 5.1035 5.1035 8.0564 8.0564 9.2168 9.2168 9.3705 9.3705 10.0759 10.0759 k = 0.3200-0.5240-0.3185 ( 5014 PWs) bands (ev): -44.6863 -44.6863 -43.1161 -43.1161 -22.0649 -22.0649 -21.5717 -21.5717 -21.5391 -21.5391 -16.7415 -16.7415 -16.5695 -16.5695 -16.5556 -16.5556 -5.5741 -5.5741 -5.1375 -5.1375 2.8226 2.8226 3.2246 3.2246 3.3410 3.3410 4.3123 4.3123 4.9927 4.9927 5.0769 5.0769 8.0412 8.0412 9.2347 9.2347 9.3981 9.3981 10.1066 10.1066 k = 0.3300-0.5404-0.3285 ( 5013 PWs) bands (ev): -44.6863 -44.6863 -43.1159 -43.1159 -22.0659 -22.0659 -21.5731 -21.5731 -21.5395 -21.5395 -16.7418 -16.7418 -16.5701 -16.5701 -16.5556 -16.5556 -5.5447 -5.5447 -5.1342 -5.1342 2.7966 2.7966 3.2137 3.2137 3.3230 3.3230 4.3109 4.3109 4.9433 4.9433 5.0538 5.0538 8.0267 8.0267 9.2513 9.2513 9.4232 9.4232 10.1398 10.1398 k = 0.3400-0.5568-0.3384 ( 5017 PWs) bands (ev): -44.6863 -44.6863 -43.1157 -43.1157 -22.0668 -22.0668 -21.5744 -21.5744 -21.5399 -21.5399 -16.7422 -16.7422 -16.5707 -16.5707 -16.5555 -16.5555 -5.5159 -5.5159 -5.1311 -5.1311 2.7608 2.7608 3.1888 3.1888 3.3337 3.3337 4.3092 4.3092 4.8930 4.8930 5.0331 5.0331 8.0129 8.0129 9.2667 9.2667 9.4455 9.4455 10.1755 10.1755 k = 0.3500-0.5731-0.3484 ( 5017 PWs) bands (ev): -44.6862 -44.6862 -43.1155 -43.1155 -22.0676 -22.0676 -21.5757 -21.5757 -21.5402 -21.5402 -16.7425 -16.7425 -16.5712 -16.5712 -16.5555 -16.5555 -5.4878 -5.4878 -5.1282 -5.1282 2.7183 2.7183 3.1596 3.1596 3.3604 3.3604 4.3071 4.3071 4.8425 4.8425 5.0144 5.0144 7.9999 7.9999 9.2811 9.2811 9.4648 9.4648 10.2135 10.2135 k = 0.3600-0.5895-0.3583 ( 5017 PWs) bands (ev): -44.6862 -44.6862 -43.1153 -43.1153 -22.0685 -22.0685 -21.5770 -21.5770 -21.5405 -21.5405 -16.7428 -16.7428 -16.5717 -16.5717 -16.5554 -16.5554 -5.4605 -5.4605 -5.1256 -5.1256 2.6719 2.6719 3.1317 3.1317 3.3944 3.3944 4.3046 4.3046 4.7923 4.7923 4.9975 4.9975 7.9876 7.9876 9.2944 9.2944 9.4812 9.4812 10.2536 10.2536 k = 0.3700-0.6059-0.3683 ( 5019 PWs) bands (ev): -44.6862 -44.6862 -43.1151 -43.1151 -22.0693 -22.0693 -21.5782 -21.5782 -21.5407 -21.5407 -16.7431 -16.7431 -16.5722 -16.5722 -16.5554 -16.5554 -5.4343 -5.4343 -5.1232 -5.1232 2.6239 2.6239 3.1067 3.1067 3.4321 3.4321 4.3020 4.3020 4.7427 4.7427 4.9823 4.9823 7.9761 7.9761 9.3066 9.3066 9.4946 9.4946 10.2957 10.2957 k = 0.3800-0.6223-0.3782 ( 5021 PWs) bands (ev): -44.6862 -44.6862 -43.1150 -43.1150 -22.0700 -22.0700 -21.5794 -21.5794 -21.5409 -21.5409 -16.7434 -16.7434 -16.5727 -16.5727 -16.5554 -16.5554 -5.4091 -5.4091 -5.1212 -5.1212 2.5759 2.5759 3.0848 3.0848 3.4714 3.4714 4.2991 4.2991 4.6941 4.6941 4.9685 4.9685 7.9654 7.9654 9.3179 9.3179 9.5052 9.5052 10.3393 10.3393 k = 0.3900-0.6386-0.3882 ( 5021 PWs) bands (ev): -44.6861 -44.6861 -43.1148 -43.1148 -22.0708 -22.0708 -21.5805 -21.5805 -21.5411 -21.5411 -16.7436 -16.7436 -16.5731 -16.5731 -16.5553 -16.5553 -5.3852 -5.3852 -5.1195 -5.1195 2.5292 2.5292 3.0657 3.0657 3.5114 3.5114 4.2961 4.2961 4.6468 4.6468 4.9562 4.9562 7.9555 7.9555 9.3283 9.3283 9.5133 9.5133 10.3837 10.3837 k = 0.4000-0.6550-0.3981 ( 5024 PWs) bands (ev): -44.6861 -44.6861 -43.1147 -43.1147 -22.0714 -22.0714 -21.5815 -21.5815 -21.5413 -21.5413 -16.7439 -16.7439 -16.5735 -16.5735 -16.5553 -16.5553 -5.3626 -5.3626 -5.1181 -5.1181 2.4847 2.4847 3.0490 3.0490 3.5512 3.5512 4.2931 4.2931 4.6009 4.6009 4.9452 4.9452 7.9464 7.9464 9.3376 9.3376 9.5193 9.5193 10.4269 10.4269 k = 0.4100-0.6714-0.4081 ( 5028 PWs) bands (ev): -44.6861 -44.6861 -43.1146 -43.1146 -22.0720 -22.0720 -21.5825 -21.5825 -21.5414 -21.5414 -16.7441 -16.7441 -16.5739 -16.5739 -16.5553 -16.5553 -5.3414 -5.3414 -5.1172 -5.1172 2.4430 2.4430 3.0346 3.0346 3.5903 3.5903 4.2901 4.2901 4.5569 4.5569 4.9356 4.9356 7.9381 7.9381 9.3462 9.3462 9.5233 9.5233 10.4388 10.4388 k = 0.4200-0.6878-0.4180 ( 5025 PWs) bands (ev): -44.6861 -44.6861 -43.1144 -43.1144 -22.0726 -22.0726 -21.5833 -21.5833 -21.5415 -21.5415 -16.7443 -16.7443 -16.5742 -16.5742 -16.5553 -16.5553 -5.3219 -5.3219 -5.1166 -5.1166 2.4047 2.4047 3.0223 3.0223 3.6282 3.6282 4.2872 4.2872 4.5149 4.5149 4.9271 4.9271 7.9308 7.9308 9.3538 9.3538 9.5258 9.5258 10.4474 10.4474 k = 0.4300-0.7041-0.4280 ( 5021 PWs) bands (ev): -44.6861 -44.6861 -43.1143 -43.1143 -22.0731 -22.0731 -21.5841 -21.5841 -21.5416 -21.5416 -16.7445 -16.7445 -16.5744 -16.5744 -16.5552 -16.5552 -5.3040 -5.3040 -5.1163 -5.1163 2.3701 2.3701 3.0118 3.0118 3.6643 3.6643 4.2845 4.2845 4.4753 4.4753 4.9198 4.9198 7.9242 7.9242 9.3605 9.3605 9.5271 9.5271 10.4551 10.4551 k = 0.4400-0.7205-0.4379 ( 5016 PWs) bands (ev): -44.6860 -44.6860 -43.1142 -43.1142 -22.0735 -22.0735 -21.5848 -21.5848 -21.5417 -21.5417 -16.7446 -16.7446 -16.5747 -16.5747 -16.5552 -16.5552 -5.2880 -5.2880 -5.1164 -5.1164 2.3397 2.3397 3.0030 3.0030 3.6982 3.6982 4.2820 4.2820 4.4386 4.4386 4.9136 4.9136 7.9186 7.9186 9.3664 9.3664 9.5275 9.5275 10.4618 10.4618 k = 0.4500-0.7369-0.4479 ( 5012 PWs) bands (ev): -44.6860 -44.6860 -43.1142 -43.1142 -22.0739 -22.0739 -21.5853 -21.5853 -21.5418 -21.5418 -16.7448 -16.7448 -16.5749 -16.5749 -16.5552 -16.5552 -5.2739 -5.2739 -5.1168 -5.1168 2.3135 2.3135 2.9958 2.9958 3.7292 3.7292 4.2798 4.2798 4.4053 4.4053 4.9085 4.9085 7.9137 7.9137 9.3714 9.3714 9.5273 9.5273 10.4676 10.4676 k = 0.4600-0.7533-0.4578 ( 5008 PWs) bands (ev): -44.6860 -44.6860 -43.1141 -43.1141 -22.0742 -22.0742 -21.5858 -21.5858 -21.5418 -21.5418 -16.7449 -16.7449 -16.5750 -16.5750 -16.5552 -16.5552 -5.2620 -5.2620 -5.1174 -5.1174 2.2919 2.2919 2.9900 2.9900 3.7566 3.7566 4.2779 4.2779 4.3760 4.3760 4.9043 4.9043 7.9098 7.9098 9.3755 9.3755 9.5267 9.5267 10.4723 10.4723 k = 0.4700-0.7696-0.4678 ( 5015 PWs) bands (ev): -44.6860 -44.6860 -43.1141 -43.1141 -22.0744 -22.0744 -21.5862 -21.5862 -21.5419 -21.5419 -16.7450 -16.7450 -16.5752 -16.5752 -16.5552 -16.5552 -5.2525 -5.2525 -5.1182 -5.1182 2.2750 2.2750 2.9856 2.9856 3.7796 3.7796 4.2765 4.2765 4.3516 4.3516 4.9011 4.9011 7.9066 7.9066 9.3786 9.3786 9.5260 9.5260 10.4761 10.4761 k = 0.4800-0.7860-0.4777 ( 5013 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0746 -22.0746 -21.5864 -21.5864 -21.5419 -21.5419 -16.7450 -16.7450 -16.5753 -16.5753 -16.5551 -16.5551 -5.2455 -5.2455 -5.1188 -5.1188 2.2628 2.2628 2.9826 2.9826 3.7970 3.7970 4.2755 4.2755 4.3331 4.3331 4.8989 4.8989 7.9044 7.9044 9.3809 9.3809 9.5254 9.5254 10.4787 10.4787 k = 0.4900-0.8024-0.4877 ( 5011 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0747 -22.0747 -21.5866 -21.5866 -21.5419 -21.5419 -16.7451 -16.7451 -16.5753 -16.5753 -16.5551 -16.5551 -5.2412 -5.2412 -5.1193 -5.1193 2.2554 2.2554 2.9807 2.9807 3.8080 3.8080 4.2749 4.2749 4.3214 4.3214 4.8976 4.8976 7.9031 7.9031 9.3823 9.3823 9.5250 9.5250 10.4803 10.4803 k = 0.5000-0.8188-0.4977 ( 5006 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0748 -22.0748 -21.5867 -21.5867 -21.5419 -21.5419 -16.7450 -16.7450 -16.5753 -16.5753 -16.5551 -16.5551 -5.2397 -5.2397 -5.1194 -5.1194 2.2530 2.2530 2.9801 2.9801 3.8117 3.8117 4.2747 4.2747 4.3174 4.3174 4.8971 4.8971 7.9027 7.9027 9.3827 9.3827 9.5249 9.5249 10.4809 10.4809 k = 0.5000-0.8188-0.4977 ( 5006 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0748 -22.0748 -21.5867 -21.5867 -21.5419 -21.5419 -16.7450 -16.7450 -16.5753 -16.5753 -16.5551 -16.5551 -5.2397 -5.2397 -5.1194 -5.1194 2.2530 2.2530 2.9801 2.9801 3.8117 3.8117 4.2747 4.2747 4.3174 4.3174 4.8971 4.8971 7.9027 7.9027 9.3827 9.3827 9.5249 9.5249 10.4809 10.4809 k = 0.5000-0.8073-0.5165 ( 5008 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0748 -22.0748 -21.5866 -21.5866 -21.5420 -21.5420 -16.7451 -16.7451 -16.5753 -16.5753 -16.5551 -16.5551 -5.2394 -5.2394 -5.1194 -5.1194 2.2542 2.2542 2.9801 2.9801 3.8118 3.8118 4.2738 4.2738 4.3173 4.3173 4.8926 4.8926 7.9064 7.9064 9.3825 9.3825 9.5240 9.5240 10.4762 10.4762 k = 0.5000-0.7959-0.5353 ( 5008 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0748 -22.0748 -21.5866 -21.5866 -21.5421 -21.5421 -16.7451 -16.7451 -16.5753 -16.5753 -16.5552 -16.5552 -5.2383 -5.2383 -5.1192 -5.1192 2.2577 2.2577 2.9802 2.9802 3.8121 3.8121 4.2712 4.2712 4.3169 4.3169 4.8793 4.8793 7.9174 7.9174 9.3817 9.3817 9.5213 9.5213 10.4624 10.4624 k = 0.5000-0.7845-0.5541 ( 5008 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0748 -22.0748 -21.5865 -21.5865 -21.5424 -21.5424 -16.7451 -16.7451 -16.5753 -16.5753 -16.5552 -16.5552 -5.2366 -5.2366 -5.1188 -5.1188 2.2637 2.2637 2.9802 2.9802 3.8125 3.8125 4.2671 4.2671 4.3160 4.3160 4.8576 4.8576 7.9353 7.9353 9.3805 9.3805 9.5169 9.5169 10.4405 10.4405 k = 0.5000-0.7730-0.5729 ( 5008 PWs) bands (ev): -44.6860 -44.6860 -43.1139 -43.1139 -22.0748 -22.0748 -21.5863 -21.5863 -21.5427 -21.5427 -16.7451 -16.7451 -16.5753 -16.5753 -16.5553 -16.5553 -5.2342 -5.2342 -5.1184 -5.1184 2.2720 2.2720 2.9802 2.9802 3.8129 3.8129 4.2619 4.2619 4.3143 4.3143 4.8280 4.8280 7.9598 7.9598 9.3789 9.3789 9.5107 9.5107 10.4119 10.4119 k = 0.5000-0.7616-0.5917 ( 5002 PWs) bands (ev): -44.6860 -44.6860 -43.1139 -43.1139 -22.0749 -22.0749 -21.5862 -21.5862 -21.5432 -21.5432 -16.7451 -16.7451 -16.5753 -16.5753 -16.5553 -16.5553 -5.2311 -5.2311 -5.1178 -5.1178 2.2827 2.2827 2.9803 2.9803 3.8130 3.8130 4.2557 4.2557 4.3118 4.3118 4.7915 4.7915 7.9901 7.9901 9.3770 9.3770 9.5027 9.5027 10.3782 10.3782 k = 0.5000-0.7502-0.6105 ( 5004 PWs) bands (ev): -44.6860 -44.6860 -43.1139 -43.1139 -22.0749 -22.0749 -21.5859 -21.5859 -21.5437 -21.5437 -16.7451 -16.7451 -16.5753 -16.5753 -16.5554 -16.5554 -5.2273 -5.2273 -5.1171 -5.1171 2.2957 2.2957 2.9802 2.9802 3.8127 3.8127 4.2487 4.2487 4.3082 4.3082 4.7492 4.7492 8.0256 8.0256 9.3749 9.3749 9.4930 9.4930 10.3410 10.3410 k = 0.5000-0.7387-0.6293 ( 5004 PWs) bands (ev): -44.6860 -44.6860 -43.1139 -43.1139 -22.0750 -22.0750 -21.5857 -21.5857 -21.5443 -21.5443 -16.7451 -16.7451 -16.5753 -16.5753 -16.5555 -16.5555 -5.2230 -5.2230 -5.1162 -5.1162 2.3110 2.3110 2.9802 2.9802 3.8115 3.8115 4.2412 4.2412 4.3036 4.3036 4.7021 4.7021 8.0655 8.0655 9.3727 9.3727 9.4816 9.4816 10.3016 10.3016 k = 0.5000-0.7273-0.6481 ( 5012 PWs) bands (ev): -44.6860 -44.6860 -43.1138 -43.1138 -22.0751 -22.0751 -21.5854 -21.5854 -21.5450 -21.5450 -16.7452 -16.7452 -16.5754 -16.5754 -16.5557 -16.5557 -5.2182 -5.2182 -5.1153 -5.1153 2.3286 2.3286 2.9800 2.9800 3.8089 3.8089 4.2331 4.2331 4.2980 4.2980 4.6516 4.6516 8.1090 8.1090 9.3705 9.3705 9.4684 9.4684 10.2612 10.2612 k = 0.5000-0.7159-0.6669 ( 5008 PWs) bands (ev): -44.6859 -44.6859 -43.1138 -43.1138 -22.0752 -22.0752 -21.5851 -21.5851 -21.5458 -21.5458 -16.7452 -16.7452 -16.5754 -16.5754 -16.5558 -16.5558 -5.2127 -5.2127 -5.1143 -5.1143 2.3484 2.3484 2.9796 2.9796 3.8044 3.8044 4.2245 4.2245 4.2916 4.2916 4.5992 4.5992 8.1555 8.1555 9.3684 9.3684 9.4537 9.4537 10.2210 10.2210 k = 0.5000-0.7044-0.6858 ( 5004 PWs) bands (ev): -44.6859 -44.6859 -43.1138 -43.1138 -22.0752 -22.0752 -21.5847 -21.5847 -21.5466 -21.5466 -16.7452 -16.7452 -16.5754 -16.5754 -16.5559 -16.5559 -5.2069 -5.2069 -5.1132 -5.1132 2.3704 2.3704 2.9791 2.9791 3.7971 3.7971 4.2152 4.2152 4.2848 4.2848 4.5465 4.5465 8.2042 8.2042 9.3664 9.3664 9.4375 9.4375 10.1817 10.1817 k = 0.5000-0.6930-0.7046 ( 5006 PWs) bands (ev): -44.6859 -44.6859 -43.1137 -43.1137 -22.0753 -22.0753 -21.5844 -21.5844 -21.5475 -21.5475 -16.7453 -16.7453 -16.5754 -16.5754 -16.5560 -16.5560 -5.2006 -5.2006 -5.1121 -5.1121 2.3946 2.3946 2.9783 2.9783 3.7861 3.7861 4.2049 4.2049 4.2780 4.2780 4.4951 4.4951 8.2543 8.2543 9.3644 9.3644 9.4200 9.4200 10.1441 10.1441 k = 0.5000-0.6816-0.7234 ( 5008 PWs) bands (ev): -44.6859 -44.6859 -43.1137 -43.1137 -22.0754 -22.0754 -21.5840 -21.5840 -21.5484 -21.5484 -16.7453 -16.7453 -16.5754 -16.5754 -16.5562 -16.5562 -5.1939 -5.1939 -5.1109 -5.1109 2.4209 2.4209 2.9773 2.9773 3.7702 3.7702 4.1934 4.1934 4.2717 4.2717 4.4469 4.4469 8.3055 8.3055 9.3621 9.3621 9.4014 9.4014 10.1088 10.1088 k = 0.5000-0.6701-0.7422 ( 5012 PWs) bands (ev): -44.6859 -44.6859 -43.1136 -43.1136 -22.0756 -22.0756 -21.5835 -21.5835 -21.5494 -21.5494 -16.7454 -16.7454 -16.5754 -16.5754 -16.5563 -16.5563 -5.1869 -5.1869 -5.1097 -5.1097 2.4493 2.4493 2.9760 2.9760 3.7485 3.7485 4.1803 4.1803 4.2666 4.2666 4.4034 4.4034 8.3571 8.3571 9.3587 9.3587 9.3828 9.3828 10.0763 10.0763 k = 0.5000-0.6587-0.7610 ( 5012 PWs) bands (ev): -44.6859 -44.6859 -43.1136 -43.1136 -22.0757 -22.0757 -21.5831 -21.5831 -21.5504 -21.5504 -16.7454 -16.7454 -16.5755 -16.5755 -16.5565 -16.5565 -5.1797 -5.1797 -5.1084 -5.1084 2.4796 2.4796 2.9743 2.9743 3.7201 3.7201 4.1657 4.1657 4.2629 4.2629 4.3660 4.3660 8.4086 8.4086 9.3498 9.3498 9.3684 9.3684 10.0472 10.0472 k = 0.5000-0.6473-0.7798 ( 5012 PWs) bands (ev): -44.6859 -44.6859 -43.1135 -43.1135 -22.0758 -22.0758 -21.5826 -21.5826 -21.5514 -21.5514 -16.7454 -16.7454 -16.5755 -16.5755 -16.5566 -16.5566 -5.1724 -5.1724 -5.1072 -5.1072 2.5119 2.5119 2.9723 2.9723 3.6844 3.6844 4.1495 4.1495 4.2610 4.2610 4.3355 4.3355 8.4594 8.4594 9.3317 9.3317 9.3620 9.3620 10.0219 10.0219 k = 0.5000-0.6358-0.7986 ( 5016 PWs) bands (ev): -44.6859 -44.6859 -43.1135 -43.1135 -22.0759 -22.0759 -21.5822 -21.5822 -21.5524 -21.5524 -16.7455 -16.7455 -16.5755 -16.5755 -16.5568 -16.5568 -5.1650 -5.1650 -5.1060 -5.1060 2.5461 2.5461 2.9698 2.9698 3.6418 3.6418 4.1320 4.1320 4.2611 4.2611 4.3122 4.3122 8.5092 8.5092 9.3101 9.3101 9.3579 9.3579 10.0009 10.0009 k = 0.5000-0.6244-0.8174 ( 5012 PWs) bands (ev): -44.6859 -44.6859 -43.1134 -43.1134 -22.0760 -22.0760 -21.5817 -21.5817 -21.5534 -21.5534 -16.7455 -16.7455 -16.5755 -16.5755 -16.5569 -16.5569 -5.1575 -5.1575 -5.1049 -5.1049 2.5820 2.5820 2.9668 2.9668 3.5931 3.5931 4.1135 4.1135 4.2632 4.2632 4.2956 4.2956 8.5575 8.5575 9.2876 9.2876 9.3534 9.3534 9.9847 9.9847 k = 0.5000-0.6130-0.8362 ( 5006 PWs) bands (ev): -44.6859 -44.6859 -43.1134 -43.1134 -22.0762 -22.0762 -21.5812 -21.5812 -21.5544 -21.5544 -16.7455 -16.7455 -16.5756 -16.5756 -16.5570 -16.5570 -5.1502 -5.1502 -5.1038 -5.1038 2.6197 2.6197 2.9634 2.9634 3.5394 3.5394 4.0942 4.0942 4.2671 4.2671 4.2851 4.2851 8.6036 8.6036 9.2651 9.2651 9.3478 9.3478 9.9736 9.9736 k = 0.5000-0.6016-0.8550 ( 5006 PWs) bands (ev): -44.6859 -44.6859 -43.1133 -43.1133 -22.0763 -22.0763 -21.5808 -21.5808 -21.5554 -21.5554 -16.7456 -16.7456 -16.5756 -16.5756 -16.5571 -16.5571 -5.1430 -5.1430 -5.1027 -5.1027 2.6589 2.6589 2.9594 2.9594 3.4820 3.4820 4.0743 4.0743 4.2724 4.2724 4.2801 4.2801 8.6470 8.6470 9.2435 9.2435 9.3403 9.3403 9.9680 9.9680 k = 0.5000-0.5901-0.8739 ( 5002 PWs) bands (ev): -44.6859 -44.6859 -43.1133 -43.1133 -22.0764 -22.0764 -21.5804 -21.5804 -21.5563 -21.5563 -16.7456 -16.7456 -16.5756 -16.5756 -16.5572 -16.5572 -5.1361 -5.1361 -5.1018 -5.1018 2.6996 2.6996 2.9548 2.9548 3.4224 3.4224 4.0542 4.0542 4.2757 4.2757 4.2831 4.2831 8.6868 8.6868 9.2236 9.2236 9.3307 9.3307 9.9680 9.9680 k = 0.5000-0.5787-0.8927 ( 5002 PWs) bands (ev): -44.6858 -44.6858 -43.1132 -43.1132 -22.0765 -22.0765 -21.5800 -21.5800 -21.5571 -21.5571 -16.7457 -16.7457 -16.5757 -16.5757 -16.5573 -16.5573 -5.1295 -5.1295 -5.1010 -5.1010 2.7417 2.7417 2.9496 2.9496 3.3618 3.3618 4.0340 4.0340 4.2778 4.2778 4.2923 4.2923 8.7220 8.7220 9.2063 9.2063 9.3190 9.3190 9.9737 9.9737 k = 0.5000-0.5673-0.9115 ( 5006 PWs) bands (ev): -44.6858 -44.6858 -43.1132 -43.1132 -22.0766 -22.0766 -21.5796 -21.5796 -21.5579 -21.5579 -16.7457 -16.7457 -16.5757 -16.5757 -16.5574 -16.5574 -5.1234 -5.1234 -5.1004 -5.1004 2.7848 2.7848 2.9438 2.9438 3.3011 3.3011 4.0142 4.0142 4.2816 4.2816 4.3038 4.3038 8.7514 8.7514 9.1929 9.1929 9.3049 9.3049 9.9849 9.9849 k = 0.5000-0.5558-0.9303 ( 4996 PWs) bands (ev): -44.6858 -44.6858 -43.1132 -43.1132 -22.0767 -22.0767 -21.5793 -21.5793 -21.5586 -21.5586 -16.7457 -16.7457 -16.5757 -16.5757 -16.5574 -16.5574 -5.1179 -5.1179 -5.0999 -5.0999 2.8287 2.8287 2.9374 2.9374 3.2416 3.2416 3.9950 3.9950 4.2869 4.2869 4.3174 4.3174 8.7739 8.7739 9.1847 9.1847 9.2886 9.2886 10.0015 10.0015 k = 0.5000-0.5444-0.9491 ( 4990 PWs) bands (ev): -44.6858 -44.6858 -43.1131 -43.1131 -22.0768 -22.0768 -21.5790 -21.5790 -21.5591 -21.5591 -16.7457 -16.7457 -16.5757 -16.5757 -16.5575 -16.5575 -5.1130 -5.1130 -5.0996 -5.0996 2.8726 2.8726 2.9306 2.9306 3.1844 3.1844 3.9768 3.9768 4.2933 4.2933 4.3327 4.3327 8.7885 8.7885 9.1827 9.1827 9.2703 9.2703 10.0229 10.0229 k = 0.5000-0.5330-0.9679 ( 4992 PWs) bands (ev): -44.6858 -44.6858 -43.1131 -43.1131 -22.0769 -22.0769 -21.5788 -21.5788 -21.5596 -21.5596 -16.7458 -16.7458 -16.5758 -16.5758 -16.5575 -16.5575 -5.1089 -5.1089 -5.0994 -5.0994 2.9124 2.9124 2.9258 2.9258 3.1315 3.1315 3.9599 3.9599 4.3002 4.3002 4.3498 4.3498 8.7948 8.7948 9.1871 9.1871 9.2502 9.2502 10.0486 10.0486 k = 0.5000-0.5215-0.9867 ( 4990 PWs) bands (ev): -44.6858 -44.6858 -43.1131 -43.1131 -22.0769 -22.0769 -21.5787 -21.5787 -21.5599 -21.5599 -16.7458 -16.7458 -16.5758 -16.5758 -16.5575 -16.5575 -5.1058 -5.1058 -5.0994 -5.0994 2.9126 2.9126 2.9532 2.9532 3.0886 3.0886 3.9446 3.9446 4.3073 4.3073 4.3686 4.3686 8.7933 8.7933 9.1964 9.1964 9.2297 9.2297 10.0783 10.0783 k = 0.5000-0.5101-1.0055 ( 4994 PWs) bands (ev): -44.6858 -44.6858 -43.1131 -43.1131 -22.0770 -22.0770 -21.5786 -21.5786 -21.5601 -21.5601 -16.7458 -16.7458 -16.5758 -16.5758 -16.5576 -16.5576 -5.1038 -5.1038 -5.0993 -5.0993 2.9039 2.9039 2.9634 2.9634 3.0751 3.0751 3.9312 3.9312 4.3141 4.3141 4.3891 4.3891 8.7854 8.7854 9.1974 9.1974 9.2210 9.2210 10.1112 10.1112 k = 0.5000-0.4987-1.0243 ( 5000 PWs) bands (ev): -44.6858 -44.6858 -43.1131 -43.1131 -22.0770 -22.0770 -21.5786 -21.5786 -21.5602 -21.5602 -16.7458 -16.7458 -16.5758 -16.5758 -16.5576 -16.5576 -5.1031 -5.1031 -5.0992 -5.0992 2.8940 2.8940 2.9375 2.9375 3.1018 3.1018 3.9199 3.9199 4.3203 4.3203 4.4111 4.4111 8.7726 8.7726 9.1760 9.1760 9.2365 9.2365 10.1468 10.1468 k = 0.5000-0.4872-1.0431 ( 4998 PWs) bands (ev): -44.6858 -44.6858 -43.1131 -43.1131 -22.0770 -22.0770 -21.5786 -21.5786 -21.5601 -21.5601 -16.7458 -16.7458 -16.5758 -16.5758 -16.5576 -16.5576 -5.1036 -5.1036 -5.0994 -5.0994 2.8831 2.8831 2.8998 2.8998 3.1450 3.1450 3.9109 3.9109 4.3258 4.3258 4.4345 4.4345 8.7566 8.7566 9.1506 9.1506 9.2569 9.2569 10.1845 10.1845 k = 0.5000-0.4758-1.0620 ( 4994 PWs) bands (ev): -44.6858 -44.6858 -43.1131 -43.1131 -22.0769 -22.0769 -21.5786 -21.5786 -21.5599 -21.5599 -16.7458 -16.7458 -16.5758 -16.5758 -16.5576 -16.5576 -5.1047 -5.1047 -5.1003 -5.1003 2.8585 2.8585 2.8745 2.8745 3.1933 3.1933 3.9045 3.9045 4.3302 4.3302 4.4594 4.4594 8.7386 8.7386 9.1237 9.1237 9.2785 9.2785 10.2237 10.2237 k = 0.5000-0.4644-1.0808 ( 4996 PWs) bands (ev): -44.6858 -44.6858 -43.1131 -43.1131 -22.0768 -22.0768 -21.5787 -21.5787 -21.5596 -21.5596 -16.7457 -16.7457 -16.5757 -16.5757 -16.5575 -16.5575 -5.1065 -5.1065 -5.1022 -5.1022 2.8223 2.8223 2.8626 2.8626 3.2435 3.2435 3.9008 3.9008 4.3334 4.3334 4.4855 4.4855 8.7194 8.7194 9.0958 9.0958 9.2999 9.2999 10.2637 10.2637 k = 0.8153-0.3757-0.9099 ( 4996 PWs) bands (ev): -44.6858 -44.6858 -43.1131 -43.1131 -22.0768 -22.0768 -21.5787 -21.5787 -21.5596 -21.5596 -16.7457 -16.7457 -16.5757 -16.5757 -16.5575 -16.5575 -5.1065 -5.1065 -5.1022 -5.1022 2.8223 2.8223 2.8626 2.8626 3.2435 3.2435 3.9008 3.9008 4.3334 4.3334 4.4855 4.4855 8.7194 8.7194 9.0958 9.0958 9.2999 9.2999 10.2637 10.2637 k = 0.8093-0.3660-0.8911 ( 5004 PWs) bands (ev): -44.6858 -44.6858 -43.1131 -43.1131 -22.0767 -22.0767 -21.5788 -21.5788 -21.5593 -21.5593 -16.7457 -16.7457 -16.5757 -16.5757 -16.5575 -16.5575 -5.1089 -5.1089 -5.1050 -5.1050 2.7890 2.7890 2.8509 2.8509 3.2947 3.2947 3.9000 3.9000 4.3351 4.3351 4.5128 4.5128 8.7000 8.7000 9.0671 9.0671 9.3203 9.3203 10.3037 10.3037 k = 0.8034-0.3562-0.8723 ( 5012 PWs) bands (ev): -44.6858 -44.6858 -43.1132 -43.1132 -22.0766 -22.0766 -21.5789 -21.5789 -21.5588 -21.5588 -16.7457 -16.7457 -16.5757 -16.5757 -16.5575 -16.5575 -5.1126 -5.1126 -5.1083 -5.1083 2.7593 2.7593 2.8392 2.8392 3.3465 3.3465 3.9020 3.9020 4.3352 4.3352 4.5412 4.5412 8.6806 8.6806 9.0378 9.0378 9.3395 9.3395 10.3429 10.3429 k = 0.7974-0.3465-0.8535 ( 5012 PWs) bands (ev): -44.6859 -44.6859 -43.1132 -43.1132 -22.0764 -22.0764 -21.5789 -21.5789 -21.5583 -21.5583 -16.7456 -16.7456 -16.5756 -16.5756 -16.5575 -16.5575 -5.1180 -5.1180 -5.1115 -5.1115 2.7338 2.7338 2.8275 2.8275 3.3985 3.3985 3.9069 3.9069 4.3336 4.3336 4.5706 4.5706 8.6618 8.6618 9.0080 9.0080 9.3571 9.3571 10.3431 10.3431 k = 0.7915-0.3367-0.8347 ( 5016 PWs) bands (ev): -44.6859 -44.6859 -43.1133 -43.1133 -22.0762 -22.0762 -21.5790 -21.5790 -21.5577 -21.5577 -16.7456 -16.7456 -16.5755 -16.5755 -16.5574 -16.5574 -5.1252 -5.1252 -5.1148 -5.1148 2.7125 2.7125 2.8160 2.8160 3.4505 3.4505 3.9149 3.9149 4.3302 4.3302 4.6008 4.6008 8.6438 8.6438 8.9778 8.9778 9.3728 9.3728 10.3236 10.3236 k = 0.7855-0.3270-0.8160 ( 5016 PWs) bands (ev): -44.6859 -44.6859 -43.1134 -43.1134 -22.0760 -22.0760 -21.5789 -21.5789 -21.5571 -21.5571 -16.7455 -16.7455 -16.5753 -16.5753 -16.5574 -16.5574 -5.1339 -5.1339 -5.1184 -5.1184 2.6956 2.6956 2.8048 2.8048 3.5023 3.5023 3.9259 3.9259 4.3250 4.3250 4.6318 4.6318 8.6267 8.6267 8.9473 8.9473 9.3868 9.3868 10.3051 10.3051 k = 0.7796-0.3173-0.7972 ( 5014 PWs) bands (ev): -44.6859 -44.6859 -43.1134 -43.1134 -22.0756 -22.0756 -21.5788 -21.5788 -21.5564 -21.5564 -16.7454 -16.7454 -16.5752 -16.5752 -16.5573 -16.5573 -5.1442 -5.1442 -5.1222 -5.1222 2.6832 2.6832 2.7941 2.7941 3.5537 3.5537 3.9399 3.9399 4.3178 4.3178 4.6633 4.6633 8.6108 8.6108 8.9166 8.9166 9.3989 9.3989 10.2875 10.2875 k = 0.7736-0.3075-0.7784 ( 5020 PWs) bands (ev): -44.6859 -44.6859 -43.1135 -43.1135 -22.0753 -22.0753 -21.5787 -21.5787 -21.5558 -21.5558 -16.7453 -16.7453 -16.5750 -16.5750 -16.5572 -16.5572 -5.1560 -5.1560 -5.1265 -5.1265 2.6753 2.6753 2.7840 2.7840 3.6046 3.6046 3.9568 3.9568 4.3088 4.3088 4.6954 4.6954 8.5960 8.5960 8.8858 8.8858 9.4093 9.4093 10.2709 10.2709 k = 0.7677-0.2978-0.7596 ( 5020 PWs) bands (ev): -44.6859 -44.6859 -43.1136 -43.1136 -22.0749 -22.0749 -21.5785 -21.5785 -21.5551 -21.5551 -16.7451 -16.7451 -16.5748 -16.5748 -16.5572 -16.5572 -5.1693 -5.1693 -5.1310 -5.1310 2.6720 2.6720 2.7748 2.7748 3.6547 3.6547 3.9766 3.9766 4.2978 4.2978 4.7277 4.7277 8.5824 8.5824 8.8552 8.8552 9.4183 9.4183 10.2552 10.2552 k = 0.7617-0.2880-0.7408 ( 5022 PWs) bands (ev): -44.6860 -44.6860 -43.1137 -43.1137 -22.0745 -22.0745 -21.5782 -21.5782 -21.5543 -21.5543 -16.7450 -16.7450 -16.5745 -16.5745 -16.5571 -16.5571 -5.1840 -5.1840 -5.1360 -5.1360 2.6732 2.6732 2.7665 2.7665 3.7040 3.7040 3.9992 3.9992 4.2851 4.2851 4.7603 4.7603 8.5700 8.5700 8.8248 8.8248 9.4261 9.4261 10.2403 10.2403 k = 0.7558-0.2783-0.7221 ( 5026 PWs) bands (ev): -44.6860 -44.6860 -43.1139 -43.1139 -22.0740 -22.0740 -21.5778 -21.5778 -21.5536 -21.5536 -16.7448 -16.7448 -16.5743 -16.5743 -16.5571 -16.5571 -5.2002 -5.2002 -5.1413 -5.1413 2.6788 2.6788 2.7594 2.7594 3.7522 3.7522 4.0246 4.0246 4.2708 4.2708 4.7928 4.7928 8.5587 8.5587 8.7948 8.7948 9.4330 9.4330 10.2260 10.2260 k = 0.7498-0.2685-0.7033 ( 5032 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0734 -22.0734 -21.5774 -21.5774 -21.5528 -21.5528 -16.7446 -16.7446 -16.5740 -16.5740 -16.5570 -16.5570 -5.2178 -5.2178 -5.1470 -5.1470 2.6888 2.6888 2.7537 2.7537 3.7992 3.7992 4.0526 4.0526 4.2549 4.2549 4.8251 4.8251 8.5486 8.5486 8.7653 8.7653 9.4391 9.4391 10.2122 10.2122 k = 0.7439-0.2588-0.6845 ( 5016 PWs) bands (ev): -44.6860 -44.6860 -43.1141 -43.1141 -22.0728 -22.0728 -21.5769 -21.5769 -21.5520 -21.5520 -16.7443 -16.7443 -16.5736 -16.5736 -16.5569 -16.5569 -5.2367 -5.2367 -5.1531 -5.1531 2.7031 2.7031 2.7494 2.7494 3.8448 3.8448 4.0833 4.0833 4.2376 4.2376 4.8572 4.8572 8.5395 8.5395 8.7366 8.7366 9.4449 9.4449 10.1988 10.1988 k = 0.7380-0.2491-0.6657 ( 5010 PWs) bands (ev): -44.6860 -44.6860 -43.1143 -43.1143 -22.0722 -22.0722 -21.5763 -21.5763 -21.5512 -21.5512 -16.7441 -16.7441 -16.5732 -16.5732 -16.5568 -16.5568 -5.2570 -5.2570 -5.1595 -5.1595 2.7213 2.7213 2.7469 2.7469 3.8890 3.8890 4.1162 4.1162 4.2194 4.2194 4.8887 4.8887 8.5314 8.5314 8.7088 8.7088 9.4504 9.4504 10.1857 10.1857 k = 0.7320-0.2393-0.6469 ( 5010 PWs) bands (ev): -44.6861 -44.6861 -43.1144 -43.1144 -22.0715 -22.0715 -21.5756 -21.5756 -21.5504 -21.5504 -16.7438 -16.7438 -16.5729 -16.5729 -16.5568 -16.5568 -5.2784 -5.2784 -5.1663 -5.1663 2.7411 2.7411 2.7483 2.7483 3.9314 3.9314 4.1510 4.1510 4.2009 4.2009 4.9195 4.9195 8.5243 8.5243 8.6820 8.6820 9.4557 9.4557 10.1729 10.1729 k = 0.7261-0.2296-0.6282 ( 5010 PWs) bands (ev): -44.6861 -44.6861 -43.1146 -43.1146 -22.0708 -22.0708 -21.5749 -21.5749 -21.5496 -21.5496 -16.7436 -16.7436 -16.5725 -16.5725 -16.5567 -16.5567 -5.3010 -5.3010 -5.1734 -5.1734 2.7455 2.7455 2.7707 2.7707 3.9719 3.9719 4.1745 4.1745 4.1955 4.1955 4.9494 4.9494 8.5181 8.5181 8.6565 8.6565 9.4610 9.4610 10.1604 10.1604 k = 0.7201-0.2198-0.6094 ( 5016 PWs) bands (ev): -44.6861 -44.6861 -43.1148 -43.1148 -22.0701 -22.0701 -21.5741 -21.5741 -21.5488 -21.5488 -16.7433 -16.7433 -16.5721 -16.5721 -16.5567 -16.5567 -5.3247 -5.3247 -5.1808 -5.1808 2.7483 2.7483 2.7998 2.7998 4.0103 4.0103 4.1584 4.1584 4.2319 4.2319 4.9782 4.9782 8.5128 8.5128 8.6325 8.6325 9.4662 9.4662 10.1482 10.1482 k = 0.7142-0.2101-0.5906 ( 5018 PWs) bands (ev): -44.6862 -44.6862 -43.1150 -43.1150 -22.0693 -22.0693 -21.5732 -21.5732 -21.5479 -21.5479 -16.7431 -16.7431 -16.5716 -16.5716 -16.5566 -16.5566 -5.3494 -5.3494 -5.1885 -5.1885 2.7530 2.7530 2.8320 2.8320 4.0460 4.0460 4.1399 4.1399 4.2736 4.2736 5.0057 5.0057 8.5083 8.5083 8.6101 8.6101 9.4714 9.4714 10.1364 10.1364 k = 0.7082-0.2004-0.5718 ( 5018 PWs) bands (ev): -44.6862 -44.6862 -43.1152 -43.1152 -22.0684 -22.0684 -21.5723 -21.5723 -21.5471 -21.5471 -16.7427 -16.7427 -16.5711 -16.5711 -16.5566 -16.5566 -5.3749 -5.3749 -5.1965 -5.1965 2.7597 2.7597 2.8669 2.8669 4.0763 4.0763 4.1250 4.1250 4.3176 4.3176 5.0317 5.0317 8.5047 8.5047 8.5894 8.5894 9.4763 9.4763 10.1253 10.1253 k = 0.7023-0.1906-0.5530 ( 5014 PWs) bands (ev): -44.6862 -44.6862 -43.1154 -43.1154 -22.0676 -22.0676 -21.5714 -21.5714 -21.5462 -21.5462 -16.7424 -16.7424 -16.5706 -16.5706 -16.5565 -16.5565 -5.4013 -5.4013 -5.2047 -5.2047 2.7684 2.7684 2.9037 2.9037 4.0867 4.0867 4.1291 4.1291 4.3635 4.3635 5.0560 5.0560 8.5018 8.5018 8.5708 8.5708 9.4806 9.4806 10.1151 10.1151 k = 0.6963-0.1809-0.5343 ( 5010 PWs) bands (ev): -44.6863 -44.6863 -43.1156 -43.1156 -22.0667 -22.0667 -21.5704 -21.5704 -21.5453 -21.5453 -16.7421 -16.7421 -16.5701 -16.5701 -16.5565 -16.5565 -5.4283 -5.4283 -5.2132 -5.2132 2.7793 2.7793 2.9419 2.9419 4.0762 4.0762 4.1537 4.1537 4.4111 4.4111 5.0784 5.0784 8.4996 8.4996 8.5542 8.5542 9.4841 9.4841 10.1061 10.1061 k = 0.6904-0.1711-0.5155 ( 5012 PWs) bands (ev): -44.6863 -44.6863 -43.1158 -43.1158 -22.0657 -22.0657 -21.5693 -21.5693 -21.5444 -21.5444 -16.7417 -16.7417 -16.5695 -16.5695 -16.5565 -16.5565 -5.4560 -5.4560 -5.2219 -5.2219 2.7924 2.7924 2.9807 2.9807 4.0637 4.0637 4.1808 4.1808 4.4602 4.4602 5.0988 5.0988 8.4982 8.4982 8.5398 8.5398 9.4864 9.4864 10.0985 10.0985 k = 0.6844-0.1614-0.4967 ( 5012 PWs) bands (ev): -44.6863 -44.6863 -43.1160 -43.1160 -22.0648 -22.0648 -21.5683 -21.5683 -21.5434 -21.5434 -16.7414 -16.7414 -16.5690 -16.5690 -16.5564 -16.5564 -5.4841 -5.4841 -5.2307 -5.2307 2.8077 2.8077 3.0191 3.0191 4.0537 4.0537 4.2069 4.2069 4.5107 4.5107 5.1169 5.1169 8.4973 8.4973 8.5278 8.5278 9.4871 9.4871 10.0928 10.0928 k = 0.6785-0.1516-0.4779 ( 5018 PWs) bands (ev): -44.6864 -44.6864 -43.1163 -43.1163 -22.0638 -22.0638 -21.5672 -21.5672 -21.5424 -21.5424 -16.7411 -16.7411 -16.5684 -16.5684 -16.5564 -16.5564 -5.5126 -5.5126 -5.2398 -5.2398 2.8252 2.8252 3.0560 3.0560 4.0478 4.0478 4.2313 4.2313 4.5623 4.5623 5.1328 5.1328 8.4968 8.4968 8.5182 8.5182 9.4858 9.4858 10.0849 10.0849 k = 0.6725-0.1419-0.4591 ( 5016 PWs) bands (ev): -44.6864 -44.6864 -43.1165 -43.1165 -22.0628 -22.0628 -21.5661 -21.5661 -21.5414 -21.5414 -16.7407 -16.7407 -16.5678 -16.5678 -16.5564 -16.5564 -5.5413 -5.5413 -5.2489 -5.2489 2.8450 2.8450 3.0903 3.0903 4.0472 4.0472 4.2540 4.2540 4.6148 4.6148 5.1462 5.1462 8.4965 8.4965 8.5113 8.5113 9.4821 9.4821 10.0380 10.0380 k = 0.6666-0.1322-0.4404 ( 5016 PWs) bands (ev): -44.6865 -44.6865 -43.1167 -43.1167 -22.0618 -22.0618 -21.5651 -21.5651 -21.5403 -21.5403 -16.7403 -16.7403 -16.5672 -16.5672 -16.5564 -16.5564 -5.5702 -5.5702 -5.2581 -5.2581 2.8671 2.8671 3.1208 3.1208 4.0531 4.0531 4.2752 4.2752 4.6679 4.6679 5.1572 5.1572 8.4955 8.4955 8.5076 8.5076 9.4757 9.4757 9.9917 9.9917 k = 0.6606-0.1224-0.4216 ( 5016 PWs) bands (ev): -44.6865 -44.6865 -43.1169 -43.1169 -22.0608 -22.0608 -21.5640 -21.5640 -21.5392 -21.5392 -16.7400 -16.7400 -16.5666 -16.5666 -16.5564 -16.5564 -5.5992 -5.5992 -5.2674 -5.2674 2.8914 2.8914 3.1463 3.1463 4.0662 4.0662 4.2952 4.2952 4.7212 4.7212 5.1658 5.1658 8.4940 8.4940 8.5068 8.5068 9.4664 9.4664 9.9475 9.9475 k = 0.6547-0.1127-0.4028 ( 5016 PWs) bands (ev): -44.6865 -44.6865 -43.1172 -43.1172 -22.0598 -22.0598 -21.5630 -21.5630 -21.5381 -21.5381 -16.7396 -16.7396 -16.5659 -16.5659 -16.5564 -16.5564 -5.6281 -5.6281 -5.2767 -5.2767 2.9179 2.9179 3.1661 3.1661 4.0869 4.0869 4.3145 4.3145 4.7743 4.7743 5.1724 5.1724 8.4927 8.4927 8.5078 8.5078 9.4542 9.4542 9.9061 9.9061 k = 0.6487-0.1029-0.3840 ( 5010 PWs) bands (ev): -44.6866 -44.6866 -43.1174 -43.1174 -22.0588 -22.0588 -21.5620 -21.5620 -21.5369 -21.5369 -16.7392 -16.7392 -16.5653 -16.5653 -16.5563 -16.5563 -5.6568 -5.6568 -5.2860 -5.2860 2.9467 2.9467 3.1798 3.1798 4.1147 4.1147 4.3340 4.3340 4.8263 4.8263 5.1773 5.1773 8.4921 8.4921 8.5096 8.5096 9.4391 9.4391 9.8682 9.8682 k = 0.6428-0.0932-0.3653 ( 5012 PWs) bands (ev): -44.6866 -44.6866 -43.1177 -43.1177 -22.0578 -22.0578 -21.5611 -21.5611 -21.5356 -21.5356 -16.7389 -16.7389 -16.5646 -16.5646 -16.5563 -16.5563 -5.6853 -5.6853 -5.2953 -5.2953 2.9776 2.9776 3.1872 3.1872 4.1482 4.1482 4.3552 4.3552 4.8761 4.8761 5.1814 5.1814 8.4922 8.4922 8.5119 8.5119 9.4211 9.4211 9.8344 9.8344 k = 0.6368-0.0835-0.3465 ( 5016 PWs) bands (ev): -44.6867 -44.6867 -43.1179 -43.1179 -22.0568 -22.0568 -21.5602 -21.5602 -21.5343 -21.5343 -16.7385 -16.7385 -16.5640 -16.5640 -16.5563 -16.5563 -5.7134 -5.7134 -5.3045 -5.3045 3.0106 3.0106 3.1889 3.1889 4.1844 4.1844 4.3805 4.3805 4.9220 4.9220 5.1863 5.1863 8.4926 8.4926 8.5143 8.5143 9.4003 9.4003 9.8056 9.8056 k = 0.6309-0.0737-0.3277 ( 5014 PWs) bands (ev): -44.6867 -44.6867 -43.1181 -43.1181 -22.0559 -22.0559 -21.5593 -21.5593 -21.5330 -21.5330 -16.7381 -16.7381 -16.5633 -16.5633 -16.5563 -16.5563 -5.7411 -5.7411 -5.3136 -5.3136 3.0457 3.0457 3.1856 3.1856 4.2193 4.2193 4.4134 4.4134 4.9609 4.9609 5.1948 5.1948 8.4932 8.4932 8.5168 8.5168 9.3770 9.3770 9.7824 9.7824 k = 0.6249-0.0640-0.3089 ( 5000 PWs) bands (ev): -44.6867 -44.6867 -43.1184 -43.1184 -22.0549 -22.0549 -21.5585 -21.5585 -21.5316 -21.5316 -16.7378 -16.7378 -16.5626 -16.5626 -16.5563 -16.5563 -5.7682 -5.7682 -5.3226 -5.3226 3.0827 3.0827 3.1781 3.1781 4.2486 4.2486 4.4574 4.4574 4.9890 4.9890 5.2106 5.2106 8.4934 8.4934 8.5190 8.5190 9.3515 9.3515 9.7654 9.7654 k = 0.6190-0.0542-0.2901 ( 4994 PWs) bands (ev): -44.6868 -44.6868 -43.1186 -43.1186 -22.0539 -22.0539 -21.5577 -21.5577 -21.5302 -21.5302 -16.7374 -16.7374 -16.5620 -16.5620 -16.5563 -16.5563 -5.7946 -5.7946 -5.3314 -5.3314 3.1210 3.1210 3.1679 3.1679 4.2703 4.2703 4.5135 4.5135 5.0033 5.0033 5.2364 5.2364 8.4928 8.4928 8.5209 8.5209 9.3238 9.3238 9.7550 9.7550 k = 0.6130-0.0445-0.2714 ( 4994 PWs) bands (ev): -44.6868 -44.6868 -43.1188 -43.1188 -22.0530 -22.0530 -21.5571 -21.5571 -21.5287 -21.5287 -16.7371 -16.7371 -16.5614 -16.5614 -16.5563 -16.5563 -5.8203 -5.8203 -5.3400 -5.3400 3.1479 3.1479 3.1685 3.1685 4.2852 4.2852 4.5801 4.5801 5.0043 5.0043 5.2717 5.2717 8.4911 8.4911 8.5224 8.5224 9.2941 9.2941 9.7518 9.7518 k = 0.6071-0.0348-0.2526 ( 4998 PWs) bands (ev): -44.6868 -44.6868 -43.1190 -43.1190 -22.0521 -22.0521 -21.5564 -21.5564 -21.5273 -21.5273 -16.7367 -16.7367 -16.5608 -16.5608 -16.5562 -16.5562 -5.8453 -5.8453 -5.3484 -5.3484 3.1359 3.1359 3.2079 3.2079 4.2949 4.2949 4.6545 4.6545 4.9947 4.9947 5.3135 5.3135 8.4881 8.4881 8.5233 8.5233 9.2628 9.2628 9.7559 9.7559 k = 0.6011-0.0250-0.2338 ( 4998 PWs) bands (ev): -44.6869 -44.6869 -43.1192 -43.1192 -22.0513 -22.0513 -21.5559 -21.5559 -21.5258 -21.5258 -16.7364 -16.7364 -16.5602 -16.5602 -16.5562 -16.5562 -5.8693 -5.8693 -5.3565 -5.3565 3.1195 3.1195 3.2522 3.2522 4.3012 4.3012 4.7345 4.7345 4.9774 4.9774 5.3588 5.3588 8.4837 8.4837 8.5235 8.5235 9.2300 9.2300 9.7674 9.7674 k = 0.5952-0.0153-0.2150 ( 5004 PWs) bands (ev): -44.6869 -44.6869 -43.1195 -43.1195 -22.0505 -22.0505 -21.5553 -21.5553 -21.5244 -21.5244 -16.7362 -16.7362 -16.5597 -16.5597 -16.5562 -16.5562 -5.8923 -5.8923 -5.3643 -5.3643 3.1021 3.1021 3.2984 3.2984 4.3048 4.3048 4.8178 4.8178 4.9549 4.9549 5.4056 5.4056 8.4779 8.4779 8.5228 8.5228 9.1960 9.1960 9.7862 9.7862 k = 0.5892-0.0055-0.1962 ( 5010 PWs) bands (ev): -44.6870 -44.6870 -43.1197 -43.1197 -22.0497 -22.0497 -21.5549 -21.5549 -21.5230 -21.5230 -16.7359 -16.7359 -16.5592 -16.5592 -16.5561 -16.5561 -5.9143 -5.9143 -5.3718 -5.3718 3.0842 3.0842 3.3463 3.3463 4.3067 4.3067 4.8964 4.8964 4.9352 4.9352 5.4524 5.4524 8.4709 8.4709 8.5212 8.5212 9.1610 9.1610 9.8119 9.8119 k = 0.5833 0.0042-0.1775 ( 5010 PWs) bands (ev): -44.6870 -44.6870 -43.1198 -43.1198 -22.0490 -22.0490 -21.5544 -21.5544 -21.5216 -21.5216 -16.7356 -16.7356 -16.5588 -16.5588 -16.5560 -16.5560 -5.9352 -5.9352 -5.3790 -5.3790 3.0663 3.0663 3.3958 3.3958 4.3073 4.3073 4.8898 4.8898 4.9982 4.9982 5.4985 5.4985 8.4630 8.4630 8.5185 8.5185 9.1254 9.1254 9.8443 9.8443 k = 0.5773 0.0140-0.1587 ( 5006 PWs) bands (ev): -44.6870 -44.6870 -43.1200 -43.1200 -22.0483 -22.0483 -21.5540 -21.5540 -21.5202 -21.5202 -16.7353 -16.7353 -16.5584 -16.5584 -16.5559 -16.5559 -5.9550 -5.9550 -5.3858 -5.3858 3.0487 3.0487 3.4467 3.4467 4.3068 4.3068 4.8561 4.8561 5.0857 5.0857 5.5432 5.5432 8.4545 8.4545 8.5146 8.5146 9.0896 9.0896 9.8826 9.8826 k = 0.5714 0.0237-0.1399 ( 5002 PWs) bands (ev): -44.6870 -44.6870 -43.1202 -43.1202 -22.0476 -22.0476 -21.5537 -21.5537 -21.5189 -21.5189 -16.7351 -16.7351 -16.5580 -16.5580 -16.5558 -16.5558 -5.9735 -5.9735 -5.3922 -5.3922 3.0316 3.0316 3.4988 3.4988 4.3057 4.3057 4.8183 4.8183 5.1738 5.1738 5.5859 5.5859 8.4456 8.4456 8.5092 8.5092 9.0539 9.0539 9.9261 9.9261 k = 0.5654 0.0334-0.1211 ( 5004 PWs) bands (ev): -44.6871 -44.6871 -43.1203 -43.1203 -22.0470 -22.0470 -21.5533 -21.5533 -21.5177 -21.5177 -16.7349 -16.7349 -16.5578 -16.5578 -16.5556 -16.5556 -5.9907 -5.9907 -5.3981 -5.3981 3.0153 3.0153 3.5521 3.5521 4.3040 4.3040 4.7776 4.7776 5.2609 5.2609 5.6265 5.6265 8.4367 8.4367 8.5023 8.5023 9.0188 9.0188 9.9742 9.9742 k = 0.5595 0.0432-0.1023 ( 5000 PWs) bands (ev): -44.6871 -44.6871 -43.1205 -43.1205 -22.0464 -22.0464 -21.5531 -21.5531 -21.5165 -21.5165 -16.7346 -16.7346 -16.5576 -16.5576 -16.5553 -16.5553 -6.0066 -6.0066 -5.4037 -5.4037 2.9999 2.9999 3.6064 3.6064 4.3020 4.3020 4.7345 4.7345 5.3457 5.3457 5.6644 5.6644 8.4281 8.4281 8.4937 8.4937 8.9850 8.9850 10.0260 10.0260 k = 0.5535 0.0529-0.0836 ( 4998 PWs) bands (ev): -44.6871 -44.6871 -43.1206 -43.1206 -22.0459 -22.0459 -21.5528 -21.5528 -21.5155 -21.5155 -16.7345 -16.7345 -16.5574 -16.5574 -16.5550 -16.5550 -6.0211 -6.0211 -5.4087 -5.4087 2.9856 2.9856 3.6615 3.6615 4.2997 4.2997 4.6892 4.6892 5.4273 5.4273 5.6997 5.6997 8.4200 8.4200 8.4834 8.4834 8.9531 8.9531 10.0804 10.0804 k = 0.5476 0.0627-0.0648 ( 4998 PWs) bands (ev): -44.6871 -44.6871 -43.1207 -43.1207 -22.0454 -22.0454 -21.5526 -21.5526 -21.5145 -21.5145 -16.7343 -16.7343 -16.5573 -16.5573 -16.5548 -16.5548 -6.0342 -6.0342 -5.4133 -5.4133 2.9725 2.9725 3.7173 3.7173 4.2974 4.2974 4.6421 4.6421 5.5045 5.5045 5.7320 5.7320 8.4126 8.4126 8.4714 8.4714 8.9236 8.9236 10.1366 10.1366 k = 0.5416 0.0724-0.0460 ( 5000 PWs) bands (ev): -44.6872 -44.6872 -43.1209 -43.1209 -22.0450 -22.0450 -21.5524 -21.5524 -21.5136 -21.5136 -16.7341 -16.7341 -16.5573 -16.5573 -16.5545 -16.5545 -6.0459 -6.0459 -5.4174 -5.4174 2.9608 2.9608 3.7735 3.7735 4.2951 4.2951 4.5934 4.5934 5.5761 5.5761 5.7613 5.7613 8.4060 8.4060 8.4580 8.4580 8.8970 8.8970 10.1932 10.1932 k = 0.5357 0.0821-0.0272 ( 5002 PWs) bands (ev): -44.6872 -44.6872 -43.1210 -43.1210 -22.0447 -22.0447 -21.5523 -21.5523 -21.5128 -21.5128 -16.7340 -16.7340 -16.5572 -16.5572 -16.5543 -16.5543 -6.0560 -6.0560 -5.4210 -5.4210 2.9504 2.9504 3.8300 3.8300 4.2928 4.2928 4.5434 4.5434 5.6408 5.6408 5.7877 5.7877 8.4003 8.4003 8.4437 8.4437 8.8738 8.8738 10.2489 10.2489 k = 0.5297 0.0919-0.0084 ( 5004 PWs) bands (ev): -44.6872 -44.6872 -43.1210 -43.1210 -22.0444 -22.0444 -21.5521 -21.5521 -21.5121 -21.5121 -16.7339 -16.7339 -16.5572 -16.5572 -16.5541 -16.5541 -6.0647 -6.0647 -5.4240 -5.4240 2.9415 2.9415 3.8863 3.8863 4.2907 4.2907 4.4927 4.4927 5.6972 5.6972 5.8113 5.8113 8.3956 8.3956 8.4291 8.4291 8.8543 8.8543 10.3019 10.3019 k = 0.5238 0.1016 0.0103 ( 5008 PWs) bands (ev): -44.6872 -44.6872 -43.1211 -43.1211 -22.0441 -22.0441 -21.5520 -21.5520 -21.5116 -21.5116 -16.7338 -16.7338 -16.5572 -16.5572 -16.5539 -16.5539 -6.0718 -6.0718 -5.4265 -5.4265 2.9342 2.9342 3.9418 3.9418 4.2886 4.2886 4.4419 4.4419 5.7435 5.7435 5.8325 5.8325 8.3917 8.3917 8.4152 8.4152 8.8385 8.8385 10.3503 10.3503 k = 0.5178 0.1114 0.0291 ( 5002 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0439 -22.0439 -21.5520 -21.5520 -21.5111 -21.5111 -16.7337 -16.7337 -16.5572 -16.5572 -16.5538 -16.5538 -6.0773 -6.0773 -5.4285 -5.4285 2.9284 2.9284 3.9956 3.9956 4.2864 4.2864 4.3923 4.3923 5.7784 5.7784 5.8516 5.8516 8.3888 8.3888 8.4030 8.4030 8.8264 8.8264 10.3916 10.3916 k = 0.5119 0.1211 0.0479 ( 5000 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0438 -22.0438 -21.5519 -21.5519 -21.5108 -21.5108 -16.7337 -16.7337 -16.5572 -16.5572 -16.5537 -16.5537 -6.0813 -6.0813 -5.4299 -5.4299 2.9243 2.9243 4.0455 4.0455 4.2831 4.2831 4.3471 4.3471 5.8016 5.8016 5.8678 5.8678 8.3867 8.3867 8.3934 8.3934 8.8178 8.8178 10.4230 10.4230 k = 0.5059 0.1309 0.0667 ( 4994 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5519 -21.5519 -21.5106 -21.5106 -16.7336 -16.7336 -16.5571 -16.5571 -16.5536 -16.5536 -6.0837 -6.0837 -5.4307 -5.4307 2.9218 2.9218 4.0859 4.0859 4.2757 4.2757 4.3150 4.3150 5.8144 5.8144 5.8790 5.8790 8.3855 8.3855 8.3873 8.3873 8.8128 8.8128 10.4410 10.4410 k = 0.5000 0.1406 0.0855 ( 5000 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5518 -21.5518 -21.5105 -21.5105 -16.7336 -16.7336 -16.5572 -16.5572 -16.5536 -16.5536 -6.0845 -6.0845 -5.4310 -5.4310 2.9210 2.9210 4.1032 4.1032 4.2682 4.2682 4.3054 4.3054 5.8184 5.8184 5.8830 5.8830 8.3847 8.3847 8.3855 8.3855 8.8111 8.8111 10.4455 10.4455 k = 0.5000 0.1406 0.0855 ( 5000 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5518 -21.5518 -21.5105 -21.5105 -16.7336 -16.7336 -16.5572 -16.5572 -16.5536 -16.5536 -6.0845 -6.0845 -5.4310 -5.4310 2.9210 2.9210 4.1032 4.1032 4.2682 4.2682 4.3054 4.3054 5.8184 5.8184 5.8830 5.8830 8.3847 8.3847 8.3855 8.3855 8.8111 8.8111 10.4455 10.4455 k = 0.4792 0.1347 0.0819 ( 4997 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5518 -21.5518 -21.5105 -21.5105 -16.7336 -16.7336 -16.5572 -16.5572 -16.5536 -16.5536 -6.0853 -6.0853 -5.4299 -5.4299 2.9137 2.9137 4.1124 4.1124 4.2680 4.2680 4.3052 4.3052 5.8188 5.8188 5.8834 5.8834 8.3847 8.3847 8.3855 8.3855 8.8110 8.8110 10.4451 10.4451 k = 0.4583 0.1289 0.0783 ( 4997 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5518 -21.5518 -21.5105 -21.5105 -16.7336 -16.7336 -16.5571 -16.5571 -16.5536 -16.5536 -6.0877 -6.0877 -5.4268 -5.4268 2.8926 2.8926 4.1393 4.1393 4.2675 4.2675 4.3046 4.3046 5.8201 5.8201 5.8847 5.8847 8.3845 8.3845 8.3853 8.3853 8.8104 8.8104 10.4438 10.4438 k = 0.4375 0.1230 0.0748 ( 4997 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5518 -21.5518 -21.5105 -21.5105 -16.7336 -16.7336 -16.5571 -16.5571 -16.5536 -16.5536 -6.0917 -6.0917 -5.4216 -5.4216 2.8596 2.8596 4.1819 4.1819 4.2667 4.2667 4.3037 4.3037 5.8221 5.8221 5.8867 5.8867 8.3843 8.3843 8.3851 8.3851 8.8095 8.8095 10.4417 10.4417 k = 0.4167 0.1172 0.0712 ( 4997 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5518 -21.5518 -21.5105 -21.5105 -16.7336 -16.7336 -16.5571 -16.5571 -16.5536 -16.5536 -6.0971 -6.0971 -5.4145 -5.4145 2.8172 2.8172 4.2370 4.2370 4.2660 4.2660 4.3024 4.3024 5.8249 5.8249 5.8895 5.8895 8.3840 8.3840 8.3847 8.3847 8.8081 8.8081 10.4388 10.4388 k = 0.3958 0.1113 0.0677 ( 4994 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5518 -21.5518 -21.5105 -21.5105 -16.7336 -16.7336 -16.5571 -16.5571 -16.5536 -16.5536 -6.1036 -6.1036 -5.4058 -5.4058 2.7681 2.7681 4.2628 4.2628 4.3009 4.3009 4.3049 4.3049 5.8285 5.8285 5.8931 5.8931 8.3836 8.3836 8.3843 8.3843 8.8062 8.8062 10.4352 10.4352 k = 0.3750 0.1054 0.0641 ( 4982 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0436 -22.0436 -21.5518 -21.5518 -21.5105 -21.5105 -16.7336 -16.7336 -16.5570 -16.5570 -16.5535 -16.5535 -6.1113 -6.1113 -5.3957 -5.3957 2.7144 2.7144 4.2614 4.2614 4.2990 4.2990 4.3788 4.3788 5.8327 5.8327 5.8973 5.8973 8.3831 8.3831 8.3838 8.3838 8.8037 8.8037 10.4309 10.4309 k = 0.3542 0.0996 0.0605 ( 4985 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0436 -22.0436 -21.5518 -21.5518 -21.5105 -21.5105 -16.7336 -16.7336 -16.5570 -16.5570 -16.5535 -16.5535 -6.1197 -6.1197 -5.3844 -5.3844 2.6580 2.6580 4.2593 4.2593 4.2969 4.2969 4.4590 4.4590 5.8375 5.8375 5.9021 5.9021 8.3826 8.3826 8.3832 8.3832 8.8004 8.8004 10.4260 10.4260 k = 0.3333 0.0937 0.0570 ( 5006 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5519 -21.5519 -21.5106 -21.5106 -16.7336 -16.7336 -16.5571 -16.5571 -16.5536 -16.5536 -6.1287 -6.1287 -5.3721 -5.3721 2.6005 2.6005 4.2570 4.2570 4.2945 4.2945 4.5436 4.5436 5.8428 5.8428 5.9074 5.9074 8.3818 8.3818 8.3825 8.3825 8.7962 8.7962 10.4205 10.4205 k = 0.3125 0.0879 0.0534 ( 5006 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5519 -21.5519 -21.5106 -21.5106 -16.7336 -16.7336 -16.5571 -16.5571 -16.5536 -16.5536 -6.1382 -6.1382 -5.3592 -5.3592 2.5431 2.5431 4.2545 4.2545 4.2920 4.2920 4.6310 4.6310 5.8486 5.8486 5.9131 5.9131 8.3811 8.3811 8.3817 8.3817 8.7910 8.7910 10.4147 10.4147 k = 0.2917 0.0820 0.0498 ( 5012 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5519 -21.5519 -21.5106 -21.5106 -16.7336 -16.7336 -16.5571 -16.5571 -16.5536 -16.5536 -6.1479 -6.1479 -5.3459 -5.3459 2.4866 2.4866 4.2518 4.2518 4.2893 4.2893 4.7199 4.7199 5.8546 5.8546 5.9192 5.9192 8.3804 8.3804 8.3809 8.3809 8.7848 8.7848 10.4085 10.4085 k = 0.2708 0.0762 0.0463 ( 5018 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5519 -21.5519 -21.5106 -21.5106 -16.7336 -16.7336 -16.5571 -16.5571 -16.5536 -16.5536 -6.1576 -6.1576 -5.3323 -5.3323 2.4318 2.4318 4.2491 4.2491 4.2866 4.2866 4.8094 4.8094 5.8610 5.8610 5.9254 5.9254 8.3796 8.3796 8.3801 8.3801 8.7772 8.7772 10.4021 10.4021 k = 0.2500 0.0703 0.0427 ( 5021 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5519 -21.5519 -21.5106 -21.5106 -16.7336 -16.7336 -16.5571 -16.5571 -16.5536 -16.5536 -6.1672 -6.1672 -5.3189 -5.3189 2.3794 2.3794 4.2463 4.2463 4.2838 4.2838 4.8983 4.8983 5.8674 5.8674 5.9318 5.9318 8.3788 8.3788 8.3793 8.3793 8.7685 8.7685 10.3957 10.3957 k = 0.2292 0.0644 0.0392 ( 5021 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5519 -21.5519 -21.5106 -21.5106 -16.7336 -16.7336 -16.5571 -16.5571 -16.5536 -16.5536 -6.1765 -6.1765 -5.3057 -5.3057 2.3297 2.3297 4.2436 4.2436 4.2811 4.2811 4.9857 4.9857 5.8738 5.8738 5.9382 5.9382 8.3779 8.3779 8.3784 8.3784 8.7583 8.7583 10.3892 10.3892 k = 0.2083 0.0586 0.0356 ( 5021 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5519 -21.5519 -21.5106 -21.5106 -16.7336 -16.7336 -16.5571 -16.5571 -16.5536 -16.5536 -6.1853 -6.1853 -5.2930 -5.2930 2.2833 2.2833 4.2409 4.2409 4.2784 4.2784 5.0705 5.0705 5.8802 5.8802 5.9444 5.9444 8.3771 8.3771 8.3776 8.3776 8.7469 8.7469 10.3829 10.3829 k = 0.1875 0.0527 0.0320 ( 5016 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5519 -21.5519 -21.5106 -21.5106 -16.7336 -16.7336 -16.5570 -16.5570 -16.5536 -16.5536 -6.1937 -6.1937 -5.2809 -5.2809 2.2404 2.2404 4.2383 4.2383 4.2758 4.2758 5.1517 5.1517 5.8865 5.8865 5.9504 5.9504 8.3764 8.3764 8.3768 8.3768 8.7342 8.7342 10.3768 10.3768 k = 0.1667 0.0469 0.0285 ( 5013 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5519 -21.5519 -21.5106 -21.5106 -16.7336 -16.7336 -16.5570 -16.5570 -16.5536 -16.5536 -6.2014 -6.2014 -5.2696 -5.2696 2.2013 2.2013 4.2359 4.2359 4.2734 4.2734 5.2284 5.2284 5.8924 5.8924 5.9561 5.9561 8.3756 8.3756 8.3760 8.3760 8.7208 8.7208 10.3710 10.3710 k = 0.1458 0.0410 0.0249 ( 5013 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5519 -21.5519 -21.5106 -21.5106 -16.7336 -16.7336 -16.5570 -16.5570 -16.5537 -16.5537 -6.2085 -6.2085 -5.2593 -5.2593 2.1664 2.1664 4.2336 4.2336 4.2711 4.2711 5.2995 5.2995 5.8980 5.8980 5.9614 5.9614 8.3749 8.3749 8.3753 8.3753 8.7066 8.7066 10.3656 10.3656 k = 0.1250 0.0351 0.0214 ( 5019 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5519 -21.5519 -21.5106 -21.5106 -16.7336 -16.7336 -16.5570 -16.5570 -16.5537 -16.5537 -6.2147 -6.2147 -5.2501 -5.2501 2.1356 2.1356 4.2316 4.2316 4.2691 4.2691 5.3640 5.3640 5.9031 5.9031 5.9662 5.9662 8.3742 8.3742 8.3746 8.3746 8.6922 8.6922 10.3608 10.3608 k = 0.1042 0.0293 0.0178 ( 5031 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5519 -21.5519 -21.5106 -21.5106 -16.7336 -16.7336 -16.5570 -16.5570 -16.5537 -16.5537 -6.2200 -6.2200 -5.2422 -5.2422 2.1094 2.1094 4.2298 4.2298 4.2673 4.2673 5.4207 5.4207 5.9077 5.9077 5.9704 5.9704 8.3736 8.3736 8.3739 8.3739 8.6784 8.6784 10.3565 10.3565 k = 0.0833 0.0234 0.0142 ( 5037 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5519 -21.5519 -21.5106 -21.5106 -16.7336 -16.7336 -16.5570 -16.5570 -16.5537 -16.5537 -6.2245 -6.2245 -5.2355 -5.2355 2.0877 2.0877 4.2283 4.2283 4.2658 4.2658 5.4687 5.4687 5.9117 5.9117 5.9739 5.9739 8.3731 8.3731 8.3734 8.3734 8.6657 8.6657 10.3529 10.3529 k = 0.0625 0.0176 0.0107 ( 5031 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5519 -21.5519 -21.5106 -21.5106 -16.7336 -16.7336 -16.5570 -16.5570 -16.5537 -16.5537 -6.2280 -6.2280 -5.2302 -5.2302 2.0707 2.0707 4.2272 4.2272 4.2647 4.2647 5.5071 5.5071 5.9149 5.9149 5.9767 5.9767 8.3727 8.3727 8.3730 8.3730 8.6550 8.6550 10.3501 10.3501 k = 0.0417 0.0117 0.0071 ( 5019 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5519 -21.5519 -21.5106 -21.5106 -16.7336 -16.7336 -16.5569 -16.5569 -16.5537 -16.5537 -6.2306 -6.2306 -5.2264 -5.2264 2.0585 2.0585 4.2263 4.2263 4.2638 4.2638 5.5351 5.5351 5.9173 5.9173 5.9788 5.9788 8.3724 8.3724 8.3728 8.3728 8.6468 8.6468 10.3480 10.3480 k = 0.0208 0.0059 0.0036 ( 4998 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5519 -21.5519 -21.5106 -21.5106 -16.7335 -16.7335 -16.5569 -16.5569 -16.5536 -16.5536 -6.2321 -6.2321 -5.2241 -5.2241 2.0512 2.0512 4.2258 4.2258 4.2634 4.2634 5.5521 5.5521 5.9188 5.9188 5.9800 5.9800 8.3724 8.3724 8.3727 8.3727 8.6416 8.6416 10.3468 10.3468 k = 0.0000 0.0000 0.0000 ( 5007 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5519 -21.5519 -21.5106 -21.5106 -16.7335 -16.7335 -16.5569 -16.5569 -16.5536 -16.5536 -6.2326 -6.2326 -5.2233 -5.2233 2.0487 2.0487 4.2257 4.2257 4.2632 4.2632 5.5578 5.5578 5.9193 5.9193 5.9804 5.9804 8.3723 8.3723 8.3726 8.3726 8.6397 8.6397 10.3463 10.3463 k = 0.0000 0.0000 0.0000 ( 5007 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5519 -21.5519 -21.5106 -21.5106 -16.7335 -16.7335 -16.5569 -16.5569 -16.5536 -16.5536 -6.2326 -6.2326 -5.2233 -5.2233 2.0487 2.0487 4.2257 4.2257 4.2632 4.2632 5.5578 5.5578 5.9193 5.9193 5.9804 5.9804 8.3723 8.3723 8.3726 8.3726 8.6397 8.6397 10.3463 10.3463 k = 0.0059-0.0097-0.0186 ( 5021 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5519 -21.5519 -21.5106 -21.5106 -16.7336 -16.7336 -16.5569 -16.5569 -16.5537 -16.5537 -6.2317 -6.2317 -5.2232 -5.2232 2.0499 2.0499 4.2242 4.2242 4.2618 4.2618 5.5591 5.5591 5.9151 5.9151 5.9761 5.9761 8.3731 8.3731 8.3746 8.3746 8.6404 8.6404 10.3431 10.3431 k = 0.0118-0.0193-0.0373 ( 5025 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0438 -22.0438 -21.5519 -21.5519 -21.5108 -21.5108 -16.7336 -16.7336 -16.5570 -16.5570 -16.5538 -16.5538 -6.2292 -6.2292 -5.2228 -5.2228 2.0535 2.0535 4.2190 4.2190 4.2584 4.2584 5.5630 5.5630 5.9014 5.9014 5.9644 5.9644 8.3754 8.3754 8.3810 8.3810 8.6425 8.6425 10.3307 10.3307 k = 0.0177-0.0290-0.0559 ( 5025 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0439 -22.0439 -21.5520 -21.5520 -21.5111 -21.5111 -16.7337 -16.7337 -16.5570 -16.5570 -16.5539 -16.5539 -6.2250 -6.2250 -5.2221 -5.2221 2.0595 2.0595 4.2084 4.2084 4.2551 4.2551 5.5690 5.5690 5.8762 5.8762 5.9478 5.9478 8.3792 8.3792 8.3912 8.3912 8.6461 8.6461 10.3087 10.3087 k = 0.0236-0.0387-0.0745 ( 5027 PWs) bands (ev): -44.6872 -44.6872 -43.1211 -43.1211 -22.0441 -22.0441 -21.5521 -21.5521 -21.5116 -21.5116 -16.7338 -16.7338 -16.5570 -16.5570 -16.5540 -16.5540 -6.2191 -6.2191 -5.2212 -5.2212 2.0678 2.0678 4.1914 4.1914 4.2532 4.2532 5.5766 5.5766 5.8382 5.8382 5.9288 5.9288 8.3845 8.3845 8.4044 8.4044 8.6515 8.6515 10.2800 10.2800 k = 0.0295-0.0483-0.0932 ( 5017 PWs) bands (ev): -44.6872 -44.6872 -43.1210 -43.1210 -22.0444 -22.0444 -21.5522 -21.5522 -21.5121 -21.5121 -16.7338 -16.7338 -16.5570 -16.5570 -16.5542 -16.5542 -6.2116 -6.2116 -5.2200 -5.2200 2.0785 2.0785 4.1685 4.1685 4.2527 4.2527 5.5848 5.5848 5.7884 5.7884 5.9078 5.9078 8.3914 8.3914 8.4198 8.4198 8.6589 8.6589 10.2474 10.2474 k = 0.0354-0.0580-0.1118 ( 5011 PWs) bands (ev): -44.6872 -44.6872 -43.1210 -43.1210 -22.0447 -22.0447 -21.5523 -21.5523 -21.5128 -21.5128 -16.7339 -16.7339 -16.5570 -16.5570 -16.5544 -16.5544 -6.2024 -6.2024 -5.2185 -5.2185 2.0915 2.0915 4.1405 4.1405 4.2531 4.2531 5.5920 5.5920 5.7295 5.7295 5.8845 5.8845 8.3998 8.3998 8.4362 8.4362 8.6687 8.6687 10.2130 10.2130 k = 0.0413-0.0677-0.1304 ( 5001 PWs) bands (ev): -44.6872 -44.6872 -43.1209 -43.1209 -22.0450 -22.0450 -21.5524 -21.5524 -21.5135 -21.5135 -16.7340 -16.7340 -16.5570 -16.5570 -16.5545 -16.5545 -6.1916 -6.1916 -5.2168 -5.2168 2.1068 2.1068 4.1086 4.1086 4.2541 4.2541 5.5918 5.5918 5.6688 5.6688 5.8586 5.8586 8.4097 8.4097 8.4527 8.4527 8.6812 8.6812 10.1788 10.1788 k = 0.0472-0.0773-0.1491 ( 4997 PWs) bands (ev): -44.6871 -44.6871 -43.1208 -43.1208 -22.0454 -22.0454 -21.5526 -21.5526 -21.5144 -21.5144 -16.7342 -16.7342 -16.5571 -16.5571 -16.5548 -16.5548 -6.1792 -6.1792 -5.2149 -5.2149 2.1244 2.1244 4.0732 4.0732 4.2554 4.2554 5.5547 5.5547 5.6364 5.6364 5.8300 5.8300 8.4210 8.4210 8.4683 8.4683 8.6968 8.6968 10.1460 10.1460 k = 0.0531-0.0870-0.1677 ( 4997 PWs) bands (ev): -44.6871 -44.6871 -43.1206 -43.1206 -22.0459 -22.0459 -21.5528 -21.5528 -21.5154 -21.5154 -16.7343 -16.7343 -16.5572 -16.5572 -16.5550 -16.5550 -6.1652 -6.1652 -5.2127 -5.2127 2.1443 2.1443 4.0353 4.0353 4.2567 4.2567 5.4795 5.4795 5.6344 5.6344 5.7989 5.7989 8.4337 8.4337 8.4824 8.4824 8.7157 8.7157 10.1159 10.1159 k = 0.0590-0.0967-0.1863 ( 5001 PWs) bands (ev): -44.6871 -44.6871 -43.1205 -43.1205 -22.0464 -22.0464 -21.5531 -21.5531 -21.5165 -21.5165 -16.7345 -16.7345 -16.5573 -16.5573 -16.5553 -16.5553 -6.1497 -6.1497 -5.2103 -5.2103 2.1664 2.1664 3.9953 3.9953 4.2580 4.2580 5.3927 5.3927 5.6361 5.6361 5.7659 5.7659 8.4477 8.4477 8.4947 8.4947 8.7377 8.7377 10.0894 10.0894 k = 0.0649-0.1063-0.2050 ( 5007 PWs) bands (ev): -44.6871 -44.6871 -43.1204 -43.1204 -22.0469 -22.0469 -21.5533 -21.5533 -21.5176 -21.5176 -16.7348 -16.7348 -16.5576 -16.5576 -16.5555 -16.5555 -6.1328 -6.1328 -5.2077 -5.2077 2.1907 2.1907 3.9537 3.9537 4.2589 4.2589 5.3004 5.3004 5.6349 5.6349 5.7324 5.7324 8.4628 8.4628 8.5050 8.5050 8.7629 8.7629 10.0673 10.0673 k = 0.0708-0.1160-0.2236 ( 5009 PWs) bands (ev): -44.6870 -44.6870 -43.1202 -43.1202 -22.0475 -22.0475 -21.5536 -21.5536 -21.5188 -21.5188 -16.7350 -16.7350 -16.5579 -16.5579 -16.5557 -16.5557 -6.1144 -6.1144 -5.2049 -5.2049 2.2171 2.2171 3.9111 3.9111 4.2594 4.2594 5.2047 5.2047 5.6264 5.6264 5.7014 5.7014 8.4790 8.4790 8.5135 8.5135 8.7907 8.7907 10.0501 10.0501 k = 0.0767-0.1257-0.2422 ( 5013 PWs) bands (ev): -44.6870 -44.6870 -43.1200 -43.1200 -22.0482 -22.0482 -21.5540 -21.5540 -21.5201 -21.5201 -16.7352 -16.7352 -16.5582 -16.5582 -16.5559 -16.5559 -6.0946 -6.0946 -5.2019 -5.2019 2.2455 2.2455 3.8678 3.8678 4.2590 4.2590 5.1067 5.1067 5.6053 5.6053 5.6779 5.6779 8.4960 8.4960 8.5206 8.5206 8.8209 8.8209 10.0384 10.0384 k = 0.0826-0.1353-0.2609 ( 5005 PWs) bands (ev): -44.6870 -44.6870 -43.1199 -43.1199 -22.0489 -22.0489 -21.5544 -21.5544 -21.5214 -21.5214 -16.7355 -16.7355 -16.5586 -16.5586 -16.5559 -16.5559 -6.0735 -6.0735 -5.1987 -5.1987 2.2761 2.2761 3.8243 3.8243 4.2575 4.2575 5.0076 5.0076 5.5710 5.5710 5.6621 5.6621 8.5132 8.5132 8.5270 8.5270 8.8530 8.8530 10.0323 10.0323 k = 0.0885-0.1450-0.2795 ( 5017 PWs) bands (ev): -44.6870 -44.6870 -43.1197 -43.1197 -22.0496 -22.0496 -21.5548 -21.5548 -21.5228 -21.5228 -16.7358 -16.7358 -16.5591 -16.5591 -16.5560 -16.5560 -6.0511 -6.0511 -5.1954 -5.1954 2.3085 2.3085 3.7807 3.7807 4.2544 4.2544 4.9084 4.9084 5.5290 5.5290 5.6488 5.6488 8.5265 8.5265 8.5368 8.5368 8.8867 8.8867 10.0320 10.0320 k = 0.0944-0.1547-0.2981 ( 5009 PWs) bands (ev): -44.6869 -44.6869 -43.1195 -43.1195 -22.0504 -22.0504 -21.5553 -21.5553 -21.5242 -21.5242 -16.7361 -16.7361 -16.5596 -16.5596 -16.5561 -16.5561 -6.0275 -6.0275 -5.1919 -5.1919 2.3429 2.3429 3.7374 3.7374 4.2491 4.2491 4.8103 4.8103 5.4828 5.4828 5.6345 5.6345 8.5321 8.5321 8.5541 8.5541 8.9218 8.9218 10.0377 10.0377 k = 0.1003-0.1643-0.3168 ( 5013 PWs) bands (ev): -44.6869 -44.6869 -43.1193 -43.1193 -22.0512 -22.0512 -21.5558 -21.5558 -21.5257 -21.5257 -16.7364 -16.7364 -16.5602 -16.5602 -16.5561 -16.5561 -6.0027 -6.0027 -5.1883 -5.1883 2.3791 2.3791 3.6946 3.6946 4.2402 4.2402 4.7147 4.7147 5.4340 5.4340 5.6177 5.6177 8.5354 8.5354 8.5734 8.5734 8.9580 8.9580 10.0492 10.0492 k = 0.1062-0.1740-0.3354 ( 5007 PWs) bands (ev): -44.6869 -44.6869 -43.1191 -43.1191 -22.0520 -22.0520 -21.5564 -21.5564 -21.5271 -21.5271 -16.7367 -16.7367 -16.5607 -16.5607 -16.5561 -16.5561 -5.9768 -5.9768 -5.1846 -5.1846 2.4170 2.4170 3.6526 3.6526 4.2262 4.2262 4.6237 4.6237 5.3834 5.3834 5.5978 5.5978 8.5381 8.5381 8.5932 8.5932 8.9950 8.9950 10.0473 10.0473 k = 0.1122-0.1837-0.3540 ( 5005 PWs) bands (ev): -44.6868 -44.6868 -43.1188 -43.1188 -22.0529 -22.0529 -21.5570 -21.5570 -21.5285 -21.5285 -16.7370 -16.7370 -16.5613 -16.5613 -16.5562 -16.5562 -5.9499 -5.9499 -5.1808 -5.1808 2.4565 2.4565 3.6115 3.6115 4.2042 4.2042 4.5404 4.5404 5.3315 5.3315 5.5748 5.5748 8.5403 8.5403 8.6133 8.6133 9.0327 9.0327 10.0168 10.0168 k = 0.1181-0.1933-0.3727 ( 5005 PWs) bands (ev): -44.6868 -44.6868 -43.1186 -43.1186 -22.0538 -22.0538 -21.5576 -21.5576 -21.5299 -21.5299 -16.7373 -16.7373 -16.5619 -16.5619 -16.5562 -16.5562 -5.9221 -5.9221 -5.1769 -5.1769 2.4976 2.4976 3.5715 3.5715 4.1703 4.1703 4.4692 4.4692 5.2787 5.2787 5.5487 5.5487 8.5422 8.5422 8.6336 8.6336 9.0709 9.0709 9.9857 9.9857 k = 0.1240-0.2030-0.3913 ( 5003 PWs) bands (ev): -44.6867 -44.6867 -43.1184 -43.1184 -22.0547 -22.0547 -21.5584 -21.5584 -21.5313 -21.5313 -16.7377 -16.7377 -16.5626 -16.5626 -16.5562 -16.5562 -5.8934 -5.8934 -5.1729 -5.1729 2.5402 2.5402 3.5328 3.5328 4.1210 4.1210 4.4134 4.4134 5.2252 5.2252 5.5194 5.5194 8.5441 8.5441 8.6538 8.6538 9.1095 9.1095 9.9545 9.9545 k = 0.1299-0.2127-0.4099 ( 4999 PWs) bands (ev): -44.6867 -44.6867 -43.1182 -43.1182 -22.0557 -22.0557 -21.5592 -21.5592 -21.5327 -21.5327 -16.7380 -16.7380 -16.5632 -16.5632 -16.5562 -16.5562 -5.8640 -5.8640 -5.1689 -5.1689 2.5840 2.5840 3.4954 3.4954 4.0571 4.0571 4.3727 4.3727 5.1714 5.1714 5.4873 5.4873 8.5460 8.5460 8.6741 8.6741 9.1482 9.1482 9.9233 9.9233 k = 0.1358-0.2223-0.4286 ( 5003 PWs) bands (ev): -44.6867 -44.6867 -43.1179 -43.1179 -22.0566 -22.0566 -21.5600 -21.5600 -21.5341 -21.5341 -16.7384 -16.7384 -16.5638 -16.5638 -16.5562 -16.5562 -5.8339 -5.8339 -5.1648 -5.1648 2.6289 2.6289 3.4595 3.4595 3.9828 3.9828 4.3431 4.3431 5.1174 5.1174 5.4524 5.4524 8.5481 8.5481 8.6943 8.6943 9.1867 9.1867 9.8924 9.8924 k = 0.1417-0.2320-0.4472 ( 5009 PWs) bands (ev): -44.6866 -44.6866 -43.1177 -43.1177 -22.0576 -22.0576 -21.5609 -21.5609 -21.5354 -21.5354 -16.7387 -16.7387 -16.5645 -16.5645 -16.5562 -16.5562 -5.8032 -5.8032 -5.1608 -5.1608 2.6748 2.6748 3.4252 3.4252 3.9031 3.9031 4.3197 4.3197 5.0634 5.0634 5.4151 5.4151 8.5505 8.5505 8.7144 8.7144 9.2248 9.2248 9.8621 9.8621 k = 0.1476-0.2416-0.4658 ( 5003 PWs) bands (ev): -44.6866 -44.6866 -43.1175 -43.1175 -22.0586 -22.0586 -21.5618 -21.5618 -21.5366 -21.5366 -16.7391 -16.7391 -16.5651 -16.5651 -16.5562 -16.5562 -5.7720 -5.7720 -5.1567 -5.1567 2.7213 2.7213 3.3925 3.3925 3.8215 3.8215 4.2993 4.2993 5.0098 5.0098 5.3755 5.3755 8.5533 8.5533 8.7345 8.7345 9.2623 9.2623 9.8327 9.8327 k = 0.1535-0.2513-0.4845 ( 5005 PWs) bands (ev): -44.6865 -44.6865 -43.1172 -43.1172 -22.0596 -22.0596 -21.5628 -21.5628 -21.5378 -21.5378 -16.7395 -16.7395 -16.5658 -16.5658 -16.5562 -16.5562 -5.7404 -5.7404 -5.1527 -5.1527 2.7683 2.7683 3.3615 3.3615 3.7403 3.7403 4.2800 4.2800 4.9567 4.9567 5.3339 5.3339 8.5566 8.5566 8.7544 8.7544 9.2986 9.2986 9.8046 9.8046 k = 0.1594-0.2610-0.5031 ( 5007 PWs) bands (ev): -44.6865 -44.6865 -43.1170 -43.1170 -22.0606 -22.0606 -21.5638 -21.5638 -21.5390 -21.5390 -16.7398 -16.7398 -16.5664 -16.5664 -16.5563 -16.5563 -5.7085 -5.7085 -5.1487 -5.1487 2.8152 2.8152 3.3323 3.3323 3.6610 3.6610 4.2605 4.2605 4.9042 4.9042 5.2906 5.2906 8.5606 8.5606 8.7743 8.7743 9.3332 9.3332 9.7783 9.7783 k = 0.1653-0.2706-0.5217 ( 5011 PWs) bands (ev): -44.6865 -44.6865 -43.1168 -43.1168 -22.0616 -22.0616 -21.5648 -21.5648 -21.5401 -21.5401 -16.7402 -16.7402 -16.5671 -16.5671 -16.5563 -16.5563 -5.6765 -5.6765 -5.1447 -5.1447 2.8615 2.8615 3.3048 3.3048 3.5851 3.5851 4.2402 4.2402 4.8525 4.8525 5.2457 5.2457 8.5653 8.5653 8.7940 8.7940 9.3655 9.3655 9.7543 9.7543 k = 0.1712-0.2803-0.5404 ( 5013 PWs) bands (ev): -44.6864 -44.6864 -43.1165 -43.1165 -22.0626 -22.0626 -21.5659 -21.5659 -21.5412 -21.5412 -16.7406 -16.7406 -16.5677 -16.5677 -16.5563 -16.5563 -5.6443 -5.6443 -5.1409 -5.1409 2.9063 2.9063 3.2791 3.2791 3.5138 3.5138 4.2187 4.2187 4.8019 4.8019 5.1997 5.1997 8.5708 8.5708 8.8136 8.8136 9.3947 9.3947 9.7335 9.7335 k = 0.1771-0.2900-0.5590 ( 5011 PWs) bands (ev): -44.6864 -44.6864 -43.1163 -43.1163 -22.0636 -22.0636 -21.5669 -21.5669 -21.5422 -21.5422 -16.7410 -16.7410 -16.5683 -16.5683 -16.5563 -16.5563 -5.6123 -5.6123 -5.1371 -5.1371 2.9479 2.9479 3.2552 3.2552 3.4491 3.4491 4.1956 4.1956 4.7523 4.7523 5.1526 5.1526 8.5772 8.5772 8.8331 8.8331 9.4194 9.4194 9.7170 9.7170 k = 0.1830-0.2996-0.5776 ( 5015 PWs) bands (ev): -44.6863 -44.6863 -43.1161 -43.1161 -22.0645 -22.0645 -21.5680 -21.5680 -21.5432 -21.5432 -16.7413 -16.7413 -16.5689 -16.5689 -16.5564 -16.5564 -5.5803 -5.5803 -5.1334 -5.1334 2.9836 2.9836 3.2329 3.2329 3.3938 3.3938 4.1709 4.1709 4.7040 4.7040 5.1048 5.1048 8.5845 8.5845 8.8524 8.8524 9.4385 9.4385 9.7060 9.7060 k = 0.1889-0.3093-0.5963 ( 5013 PWs) bands (ev): -44.6863 -44.6863 -43.1159 -43.1159 -22.0655 -22.0655 -21.5691 -21.5691 -21.5441 -21.5441 -16.7417 -16.7417 -16.5694 -16.5694 -16.5564 -16.5564 -5.5486 -5.5486 -5.1299 -5.1299 3.0088 3.0088 3.2124 3.2124 3.3527 3.3527 4.1444 4.1444 4.6571 4.6571 5.0566 5.0566 8.5928 8.5928 8.8716 8.8716 9.4508 9.4508 9.7014 9.7014 k = 0.1948-0.3190-0.6149 ( 5001 PWs) bands (ev): -44.6863 -44.6863 -43.1156 -43.1156 -22.0664 -22.0664 -21.5701 -21.5701 -21.5450 -21.5450 -16.7420 -16.7420 -16.5699 -16.5699 -16.5564 -16.5564 -5.5173 -5.5173 -5.1264 -5.1264 3.0177 3.0177 3.1938 3.1938 3.3314 3.3314 4.1163 4.1163 4.6117 4.6117 5.0081 5.0081 8.6021 8.6021 8.8906 8.8906 9.4560 9.4560 9.7035 9.7035 k = 0.2007-0.3286-0.6336 ( 4997 PWs) bands (ev): -44.6862 -44.6862 -43.1154 -43.1154 -22.0673 -22.0673 -21.5711 -21.5711 -21.5459 -21.5459 -16.7423 -16.7423 -16.5705 -16.5705 -16.5564 -16.5564 -5.4865 -5.4865 -5.1232 -5.1232 3.0070 3.0070 3.1772 3.1772 3.3328 3.3328 4.0866 4.0866 4.5678 4.5678 4.9596 4.9596 8.6122 8.6122 8.9093 8.9093 9.4549 9.4549 9.7113 9.7113 k = 0.2066-0.3383-0.6522 ( 4997 PWs) bands (ev): -44.6862 -44.6862 -43.1152 -43.1152 -22.0682 -22.0682 -21.5720 -21.5720 -21.5468 -21.5468 -16.7426 -16.7426 -16.5710 -16.5710 -16.5565 -16.5565 -5.4563 -5.4563 -5.1200 -5.1200 2.9810 2.9810 3.1627 3.1627 3.3523 3.3523 4.0556 4.0556 4.5255 4.5255 4.9113 4.9113 8.6232 8.6232 8.9278 8.9278 9.4493 9.4493 9.7231 9.7231 k = 0.2125-0.3480-0.6708 ( 4997 PWs) bands (ev): -44.6862 -44.6862 -43.1150 -43.1150 -22.0690 -22.0690 -21.5729 -21.5729 -21.5477 -21.5477 -16.7429 -16.7429 -16.5714 -16.5714 -16.5565 -16.5565 -5.4268 -5.4268 -5.1171 -5.1171 2.9469 2.9469 3.1498 3.1498 3.3828 3.3828 4.0238 4.0238 4.4848 4.4848 4.8636 4.8636 8.6349 8.6349 8.9460 8.9460 9.4410 9.4410 9.7369 9.7369 k = 0.2184-0.3576-0.6895 ( 5005 PWs) bands (ev): -44.6861 -44.6861 -43.1148 -43.1148 -22.0698 -22.0698 -21.5738 -21.5738 -21.5485 -21.5485 -16.7432 -16.7432 -16.5720 -16.5720 -16.5566 -16.5566 -5.3981 -5.3981 -5.1143 -5.1143 2.9101 2.9101 3.1385 3.1385 3.4181 3.4181 3.9918 3.9918 4.4459 4.4459 4.8166 4.8166 8.6471 8.6471 8.9639 8.9639 9.4313 9.4313 9.7513 9.7513 k = 0.2243-0.3673-0.7081 ( 5001 PWs) bands (ev): -44.6861 -44.6861 -43.1147 -43.1147 -22.0706 -22.0706 -21.5746 -21.5746 -21.5493 -21.5493 -16.7435 -16.7435 -16.5724 -16.5724 -16.5566 -16.5566 -5.3704 -5.3704 -5.1117 -5.1117 2.8739 2.8739 3.1288 3.1288 3.4543 3.4543 3.9605 3.9605 4.4085 4.4085 4.7707 4.7707 8.6598 8.6598 8.9815 8.9815 9.4214 9.4214 9.7654 9.7654 k = 0.2302-0.3770-0.7267 ( 4999 PWs) bands (ev): -44.6861 -44.6861 -43.1145 -43.1145 -22.0713 -22.0713 -21.5754 -21.5754 -21.5502 -21.5502 -16.7438 -16.7438 -16.5728 -16.5728 -16.5567 -16.5567 -5.3436 -5.3436 -5.1094 -5.1094 2.8399 2.8399 3.1204 3.1204 3.4879 3.4879 3.9317 3.9317 4.3729 4.3729 4.7261 4.7261 8.6728 8.6728 8.9987 8.9987 9.4120 9.4120 9.7783 9.7783 k = 0.2361-0.3866-0.7454 ( 4997 PWs) bands (ev): -44.6860 -44.6860 -43.1143 -43.1143 -22.0720 -22.0720 -21.5760 -21.5760 -21.5509 -21.5509 -16.7440 -16.7440 -16.5732 -16.5732 -16.5567 -16.5567 -5.3180 -5.3180 -5.1072 -5.1072 2.8092 2.8092 3.1133 3.1133 3.5156 3.5156 3.9078 3.9078 4.3387 4.3387 4.6832 4.6832 8.6858 8.6858 9.0156 9.0156 9.4035 9.4035 9.7898 9.7898 k = 0.2420-0.3963-0.7640 ( 4993 PWs) bands (ev): -44.6860 -44.6860 -43.1142 -43.1142 -22.0726 -22.0726 -21.5766 -21.5766 -21.5517 -21.5517 -16.7442 -16.7442 -16.5735 -16.5735 -16.5568 -16.5568 -5.2936 -5.2936 -5.1052 -5.1052 2.7823 2.7823 3.1074 3.1074 3.5335 3.5335 3.8920 3.8920 4.3061 4.3061 4.6423 4.6423 8.6986 8.6986 9.0321 9.0321 9.3959 9.3959 9.7998 9.7998 k = 0.2479-0.4060-0.7826 ( 4995 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0732 -22.0732 -21.5772 -21.5772 -21.5525 -21.5525 -16.7444 -16.7444 -16.5738 -16.5738 -16.5568 -16.5568 -5.2704 -5.2704 -5.1034 -5.1034 2.7597 2.7597 3.1027 3.1027 3.5380 3.5380 3.8878 3.8878 4.2747 4.2747 4.6037 4.6037 8.7110 8.7110 9.0482 9.0482 9.3893 9.3893 9.8087 9.8087 k = 0.2538-0.4156-0.8013 ( 4995 PWs) bands (ev): -44.6860 -44.6860 -43.1139 -43.1139 -22.0738 -22.0738 -21.5776 -21.5776 -21.5533 -21.5533 -16.7446 -16.7446 -16.5741 -16.5741 -16.5569 -16.5569 -5.2486 -5.2486 -5.1019 -5.1019 2.7417 2.7417 3.0989 3.0989 3.5275 3.5275 3.8963 3.8963 4.2445 4.2445 4.5678 4.5678 8.7230 8.7230 9.0639 9.0639 9.3834 9.3834 9.8166 9.8166 k = 0.2597-0.4253-0.8199 ( 4997 PWs) bands (ev): -44.6859 -44.6859 -43.1138 -43.1138 -22.0743 -22.0743 -21.5780 -21.5780 -21.5540 -21.5540 -16.7448 -16.7448 -16.5744 -16.5744 -16.5570 -16.5570 -5.2282 -5.2282 -5.1005 -5.1005 2.7284 2.7284 3.0960 3.0960 3.5038 3.5038 3.9156 3.9156 4.2153 4.2153 4.5350 4.5350 8.7343 8.7343 9.0792 9.0792 9.3777 9.3777 9.8243 9.8243 k = 0.2656-0.4350-0.8385 ( 4995 PWs) bands (ev): -44.6859 -44.6859 -43.1137 -43.1137 -22.0747 -22.0747 -21.5783 -21.5783 -21.5548 -21.5548 -16.7450 -16.7450 -16.5747 -16.5747 -16.5570 -16.5570 -5.2093 -5.2093 -5.0994 -5.0994 2.7199 2.7199 3.0939 3.0939 3.4702 3.4702 3.9425 3.9425 4.1869 4.1869 4.5056 4.5056 8.7450 8.7450 9.0941 9.0941 9.3717 9.3717 9.8325 9.8325 k = 0.2715-0.4446-0.8572 ( 4989 PWs) bands (ev): -44.6859 -44.6859 -43.1136 -43.1136 -22.0751 -22.0751 -21.5786 -21.5786 -21.5555 -21.5555 -16.7451 -16.7451 -16.5749 -16.5749 -16.5571 -16.5571 -5.1919 -5.1919 -5.0985 -5.0985 2.7165 2.7165 3.0922 3.0922 3.4296 3.4296 3.9738 3.9738 4.1593 4.1593 4.4798 4.4798 8.7549 8.7549 9.1085 9.1085 9.3646 9.3646 9.8420 9.8420 k = 0.2774-0.4543-0.8758 ( 4989 PWs) bands (ev): -44.6859 -44.6859 -43.1135 -43.1135 -22.0755 -22.0755 -21.5788 -21.5788 -21.5562 -21.5562 -16.7453 -16.7453 -16.5750 -16.5750 -16.5572 -16.5572 -5.1761 -5.1761 -5.0978 -5.0978 2.7180 2.7180 3.0910 3.0910 3.3844 3.3844 4.0073 4.0073 4.1324 4.1324 4.4580 4.4580 8.7641 8.7641 9.1225 9.1225 9.3557 9.3557 9.8539 9.8539 k = 0.2833-0.4640-0.8944 ( 4989 PWs) bands (ev): -44.6859 -44.6859 -43.1134 -43.1134 -22.0758 -22.0758 -21.5789 -21.5789 -21.5568 -21.5568 -16.7454 -16.7454 -16.5752 -16.5752 -16.5572 -16.5572 -5.1618 -5.1618 -5.0974 -5.0974 2.7245 2.7245 3.0901 3.0901 3.3360 3.3360 4.0411 4.0411 4.1066 4.1066 4.4402 4.4402 8.7724 8.7724 9.1360 9.1360 9.3444 9.3444 9.8688 9.8688 k = 0.2892-0.4736-0.9131 ( 4987 PWs) bands (ev): -44.6858 -44.6858 -43.1133 -43.1133 -22.0761 -22.0761 -21.5789 -21.5789 -21.5575 -21.5575 -16.7455 -16.7455 -16.5753 -16.5753 -16.5573 -16.5573 -5.1490 -5.1490 -5.0971 -5.0971 2.7360 2.7360 3.0892 3.0892 3.2854 3.2854 4.0687 4.0687 4.0875 4.0875 4.4264 4.4264 8.7800 8.7800 9.1490 9.1490 9.3304 9.3304 9.8874 9.8874 k = 0.2951-0.4833-0.9317 ( 4993 PWs) bands (ev): -44.6858 -44.6858 -43.1133 -43.1133 -22.0763 -22.0763 -21.5789 -21.5789 -21.5581 -21.5581 -16.7456 -16.7456 -16.5755 -16.5755 -16.5574 -16.5574 -5.1379 -5.1379 -5.0970 -5.0970 2.7525 2.7525 3.0881 3.0881 3.2334 3.2334 4.0534 4.0534 4.1115 4.1115 4.4165 4.4165 8.7865 8.7865 9.1614 9.1614 9.3135 9.3135 9.9100 9.9100 k = 0.3010-0.4930-0.9503 ( 5001 PWs) bands (ev): -44.6858 -44.6858 -43.1132 -43.1132 -22.0765 -22.0765 -21.5789 -21.5789 -21.5586 -21.5586 -16.7457 -16.7457 -16.5756 -16.5756 -16.5574 -16.5574 -5.1283 -5.1283 -5.0971 -5.0971 2.7739 2.7739 3.0867 3.0867 3.1805 3.1805 4.0305 4.0305 4.1429 4.1429 4.4105 4.4105 8.7919 8.7919 9.1732 9.1732 9.2941 9.2941 9.9368 9.9368 k = 0.3069-0.5026-0.9690 ( 4999 PWs) bands (ev): -44.6858 -44.6858 -43.1132 -43.1132 -22.0767 -22.0767 -21.5788 -21.5788 -21.5591 -21.5591 -16.7457 -16.7457 -16.5757 -16.5757 -16.5575 -16.5575 -5.1202 -5.1202 -5.0974 -5.0974 2.8000 2.8000 3.0843 3.0843 3.1278 3.1278 4.0087 4.0087 4.1731 4.1731 4.4080 4.4080 8.7957 8.7957 9.1843 9.1843 9.2729 9.2729 9.9675 9.9675 k = 0.3128-0.5123-0.9876 ( 5001 PWs) bands (ev): -44.6858 -44.6858 -43.1131 -43.1131 -22.0768 -22.0768 -21.5788 -21.5788 -21.5595 -21.5595 -16.7458 -16.7458 -16.5758 -16.5758 -16.5575 -16.5575 -5.1136 -5.1136 -5.0979 -5.0979 2.8304 2.8304 3.0687 3.0687 3.0878 3.0878 3.9884 3.9884 4.2017 4.2017 4.4089 4.4089 8.7972 8.7972 9.1944 9.1944 9.2513 9.2513 10.0020 10.0020 k = 0.3187-0.5220-1.0062 ( 4999 PWs) bands (ev): -44.6858 -44.6858 -43.1131 -43.1131 -22.0769 -22.0769 -21.5787 -21.5787 -21.5598 -21.5598 -16.7458 -16.7458 -16.5758 -16.5758 -16.5576 -16.5576 -5.1086 -5.1086 -5.0984 -5.0984 2.8643 2.8643 3.0196 3.0196 3.0819 3.0819 3.9702 3.9702 4.2284 4.2284 4.4128 4.4128 8.7958 8.7958 9.2024 9.2024 9.2316 9.2316 10.0398 10.0398 k = 0.3246-0.5316-1.0249 ( 4995 PWs) bands (ev): -44.6858 -44.6858 -43.1131 -43.1131 -22.0769 -22.0769 -21.5786 -21.5786 -21.5600 -21.5600 -16.7458 -16.7458 -16.5758 -16.5758 -16.5576 -16.5576 -5.1051 -5.1051 -5.0989 -5.0989 2.8965 2.8965 2.9742 2.9742 3.0778 3.0778 3.9542 3.9542 4.2531 4.2531 4.4194 4.4194 8.7902 8.7902 9.2011 9.2011 9.2225 9.2225 10.0805 10.0805 k = 0.3306-0.5413-1.0435 ( 4989 PWs) bands (ev): -44.6858 -44.6858 -43.1131 -43.1131 -22.0770 -22.0770 -21.5786 -21.5786 -21.5601 -21.5601 -16.7458 -16.7458 -16.5758 -16.5758 -16.5576 -16.5576 -5.1034 -5.1034 -5.0992 -5.0992 2.8912 2.8912 2.9706 2.9706 3.0732 3.0732 3.9407 3.9407 4.2757 4.2757 4.4285 4.4285 8.7795 8.7795 9.1886 9.1886 9.2271 9.2271 10.1238 10.1238 k = 0.3365-0.5510-1.0621 ( 4989 PWs) bands (ev): -44.6858 -44.6858 -43.1131 -43.1131 -22.0770 -22.0770 -21.5786 -21.5786 -21.5601 -21.5601 -16.7458 -16.7458 -16.5758 -16.5758 -16.5576 -16.5576 -5.1033 -5.1033 -5.0992 -5.0992 2.8462 2.8462 3.0109 3.0109 3.0683 3.0683 3.9299 3.9299 4.2962 4.2962 4.4397 4.4397 8.7626 8.7626 9.1780 9.1780 9.2340 9.2340 10.1690 10.1690 k = 0.3424-0.5606-1.0808 ( 4993 PWs) bands (ev): -44.6858 -44.6858 -43.1131 -43.1131 -22.0769 -22.0769 -21.5786 -21.5786 -21.5600 -21.5600 -16.7458 -16.7458 -16.5758 -16.5758 -16.5576 -16.5576 -5.1042 -5.1042 -5.0995 -5.0995 2.7956 2.7956 3.0514 3.0514 3.0723 3.0723 3.9220 3.9220 4.3146 4.3146 4.4528 4.4528 8.7391 8.7391 9.1723 9.1723 9.2405 9.2405 10.2160 10.2160 k = 0.6576-0.4200-0.9953 ( 4993 PWs) bands (ev): -44.6858 -44.6858 -43.1131 -43.1131 -22.0769 -22.0769 -21.5786 -21.5786 -21.5600 -21.5600 -16.7458 -16.7458 -16.5758 -16.5758 -16.5576 -16.5576 -5.1042 -5.1042 -5.0995 -5.0995 2.7956 2.7956 3.0514 3.0514 3.0723 3.0723 3.9220 3.9220 4.3146 4.3146 4.4528 4.4528 8.7391 8.7391 9.1723 9.1723 9.2405 9.2405 10.2160 10.2160 k = 0.6518-0.3993-0.9953 ( 5001 PWs) bands (ev): -44.6858 -44.6858 -43.1131 -43.1131 -22.0769 -22.0769 -21.5787 -21.5787 -21.5598 -21.5598 -16.7458 -16.7458 -16.5758 -16.5758 -16.5576 -16.5576 -5.1054 -5.1054 -5.1006 -5.1006 2.7451 2.7451 3.0502 3.0502 3.1217 3.1217 3.9170 3.9170 4.3308 4.3308 4.4671 4.4671 8.7095 8.7095 9.1721 9.1721 9.2464 9.2464 10.2637 10.2637 k = 0.6460-0.3785-0.9953 ( 5003 PWs) bands (ev): -44.6858 -44.6858 -43.1131 -43.1131 -22.0768 -22.0768 -21.5789 -21.5789 -21.5594 -21.5594 -16.7458 -16.7458 -16.5758 -16.5758 -16.5575 -16.5575 -5.1070 -5.1070 -5.1025 -5.1025 2.6952 2.6952 3.0421 3.0421 3.1810 3.1810 3.9150 3.9150 4.3452 4.3452 4.4826 4.4826 8.6741 8.6741 9.1769 9.1769 9.2515 9.2515 10.3124 10.3124 k = 0.6401-0.3577-0.9953 ( 4999 PWs) bands (ev): -44.6858 -44.6858 -43.1131 -43.1131 -22.0768 -22.0768 -21.5791 -21.5791 -21.5589 -21.5589 -16.7457 -16.7457 -16.5757 -16.5757 -16.5575 -16.5575 -5.1089 -5.1089 -5.1049 -5.1049 2.6460 2.6460 3.0325 3.0325 3.2444 3.2444 3.9158 3.9158 4.3578 4.3578 4.4989 4.4989 8.6339 8.6339 9.1861 9.1861 9.2559 9.2559 10.3486 10.3486 k = 0.6343-0.3370-0.9953 ( 4995 PWs) bands (ev): -44.6858 -44.6858 -43.1132 -43.1132 -22.0767 -22.0767 -21.5794 -21.5794 -21.5583 -21.5583 -16.7457 -16.7457 -16.5757 -16.5757 -16.5574 -16.5574 -5.1115 -5.1115 -5.1076 -5.1076 2.5980 2.5980 3.0220 3.0220 3.3112 3.3112 3.9196 3.9196 4.3686 4.3686 4.5158 4.5158 8.5897 8.5897 9.1987 9.1987 9.2596 9.2596 10.3288 10.3288 k = 0.6285-0.3162-0.9953 ( 4999 PWs) bands (ev): -44.6858 -44.6858 -43.1132 -43.1132 -22.0766 -22.0766 -21.5798 -21.5798 -21.5576 -21.5576 -16.7456 -16.7456 -16.5756 -16.5756 -16.5573 -16.5573 -5.1152 -5.1152 -5.1100 -5.1100 2.5512 2.5512 3.0106 3.0106 3.3809 3.3809 3.9260 3.9260 4.3779 4.3779 4.5328 4.5328 8.5423 8.5423 9.2140 9.2140 9.2629 9.2629 10.3125 10.3125 k = 0.6226-0.2954-0.9953 ( 5005 PWs) bands (ev): -44.6859 -44.6859 -43.1133 -43.1133 -22.0765 -22.0765 -21.5801 -21.5801 -21.5568 -21.5568 -16.7456 -16.7456 -16.5756 -16.5756 -16.5573 -16.5573 -5.1198 -5.1198 -5.1120 -5.1120 2.5057 2.5057 2.9986 2.9986 3.4532 3.4532 3.9351 3.9351 4.3858 4.3858 4.5498 4.5498 8.4924 8.4924 9.2310 9.2310 9.2660 9.2660 10.3000 10.3000 k = 0.6168-0.2747-0.9953 ( 5010 PWs) bands (ev): -44.6859 -44.6859 -43.1133 -43.1133 -22.0764 -22.0764 -21.5805 -21.5805 -21.5559 -21.5559 -16.7456 -16.7456 -16.5756 -16.5756 -16.5572 -16.5572 -5.1251 -5.1251 -5.1140 -5.1140 2.4617 2.4617 2.9862 2.9862 3.5278 3.5278 3.9467 3.9467 4.3924 4.3924 4.5664 4.5664 8.4405 8.4405 9.2482 9.2482 9.2702 9.2702 10.2912 10.2912 k = 0.6109-0.2539-0.9953 ( 5010 PWs) bands (ev): -44.6859 -44.6859 -43.1133 -43.1133 -22.0762 -22.0762 -21.5810 -21.5810 -21.5550 -21.5550 -16.7456 -16.7456 -16.5756 -16.5756 -16.5571 -16.5571 -5.1308 -5.1308 -5.1158 -5.1158 2.4193 2.4193 2.9733 2.9733 3.6041 3.6041 3.9606 3.9606 4.3980 4.3980 4.5823 4.5823 8.3872 8.3872 9.2612 9.2612 9.2796 9.2796 10.2862 10.2862 k = 0.6051-0.2332-0.9953 ( 5008 PWs) bands (ev): -44.6859 -44.6859 -43.1134 -43.1134 -22.0761 -22.0761 -21.5814 -21.5814 -21.5541 -21.5541 -16.7455 -16.7455 -16.5755 -16.5755 -16.5569 -16.5569 -5.1369 -5.1369 -5.1177 -5.1177 2.3786 2.3786 2.9603 2.9603 3.6818 3.6818 3.9767 3.9767 4.4027 4.4027 4.5973 4.5973 8.3328 8.3328 9.2671 9.2671 9.2969 9.2969 10.2849 10.2849 k = 0.5993-0.2124-0.9953 ( 5008 PWs) bands (ev): -44.6859 -44.6859 -43.1134 -43.1134 -22.0760 -22.0760 -21.5819 -21.5819 -21.5531 -21.5531 -16.7455 -16.7455 -16.5755 -16.5755 -16.5568 -16.5568 -5.1433 -5.1433 -5.1195 -5.1195 2.3396 2.3396 2.9473 2.9473 3.7604 3.7604 3.9948 3.9948 4.4069 4.4069 4.6112 4.6112 8.2776 8.2776 9.2707 9.2707 9.3170 9.3170 10.2871 10.2871 k = 0.5934-0.1916-0.9953 ( 5012 PWs) bands (ev): -44.6859 -44.6859 -43.1135 -43.1135 -22.0759 -22.0759 -21.5823 -21.5823 -21.5521 -21.5521 -16.7454 -16.7454 -16.5755 -16.5755 -16.5567 -16.5567 -5.1498 -5.1498 -5.1213 -5.1213 2.3025 2.3025 2.9344 2.9344 3.8391 3.8391 4.0147 4.0147 4.4107 4.4107 4.6236 4.6236 8.2219 8.2219 9.2743 9.2743 9.3378 9.3378 10.2928 10.2928 k = 0.5876-0.1709-0.9953 ( 5006 PWs) bands (ev): -44.6859 -44.6859 -43.1135 -43.1135 -22.0758 -22.0758 -21.5828 -21.5828 -21.5511 -21.5511 -16.7454 -16.7454 -16.5754 -16.5754 -16.5565 -16.5565 -5.1564 -5.1564 -5.1230 -5.1230 2.2672 2.2672 2.9216 2.9216 3.9171 3.9171 4.0364 4.0364 4.4146 4.4146 4.6345 4.6345 8.1661 8.1661 9.2785 9.2785 9.3584 9.3584 10.3017 10.3017 k = 0.5817-0.1501-0.9953 ( 5012 PWs) bands (ev): -44.6859 -44.6859 -43.1136 -43.1136 -22.0756 -22.0756 -21.5832 -21.5832 -21.5501 -21.5501 -16.7453 -16.7453 -16.5754 -16.5754 -16.5564 -16.5564 -5.1629 -5.1629 -5.1247 -5.1247 2.2339 2.2339 2.9093 2.9093 3.9929 3.9929 4.0602 4.0602 4.4193 4.4193 4.6437 4.6437 8.1102 8.1102 9.2835 9.2835 9.3786 9.3786 10.3137 10.3137 k = 0.5759-0.1293-0.9953 ( 5012 PWs) bands (ev): -44.6859 -44.6859 -43.1136 -43.1136 -22.0755 -22.0755 -21.5837 -21.5837 -21.5491 -21.5491 -16.7453 -16.7453 -16.5754 -16.5754 -16.5563 -16.5563 -5.1694 -5.1694 -5.1264 -5.1264 2.2027 2.2027 2.8974 2.8974 4.0609 4.0609 4.0902 4.0902 4.4255 4.4255 4.6510 4.6510 8.0548 8.0548 9.2894 9.2894 9.3982 9.3982 10.3287 10.3287 k = 0.5701-0.1086-0.9953 ( 5014 PWs) bands (ev): -44.6859 -44.6859 -43.1137 -43.1137 -22.0754 -22.0754 -21.5841 -21.5841 -21.5482 -21.5482 -16.7453 -16.7453 -16.5754 -16.5754 -16.5561 -16.5561 -5.1757 -5.1757 -5.1279 -5.1279 2.1735 2.1735 2.8860 2.8860 4.1007 4.1007 4.1444 4.1444 4.4349 4.4349 4.6565 4.6565 8.0000 8.0000 9.2964 9.2964 9.4168 9.4168 10.3463 10.3463 k = 0.5642-0.0878-0.9953 ( 5016 PWs) bands (ev): -44.6859 -44.6859 -43.1137 -43.1137 -22.0753 -22.0753 -21.5845 -21.5845 -21.5473 -21.5473 -16.7452 -16.7452 -16.5754 -16.5754 -16.5560 -16.5560 -5.1817 -5.1817 -5.1294 -5.1294 2.1465 2.1465 2.8752 2.8752 4.1280 4.1280 4.2040 4.2040 4.4497 4.4497 4.6600 4.6600 7.9463 7.9463 9.3044 9.3044 9.4344 9.4344 10.3665 10.3665 k = 0.5584-0.0670-0.9953 ( 5018 PWs) bands (ev): -44.6860 -44.6860 -43.1138 -43.1138 -22.0752 -22.0752 -21.5848 -21.5848 -21.5464 -21.5464 -16.7452 -16.7452 -16.5754 -16.5754 -16.5559 -16.5559 -5.1875 -5.1875 -5.1308 -5.1308 2.1216 2.1216 2.8652 2.8652 4.1540 4.1540 4.2537 4.2537 4.4731 4.4731 4.6617 4.6617 7.8940 7.8940 9.3133 9.3133 9.4507 9.4507 10.3891 10.3891 k = 0.5525-0.0463-0.9953 ( 5020 PWs) bands (ev): -44.6860 -44.6860 -43.1138 -43.1138 -22.0752 -22.0752 -21.5852 -21.5852 -21.5456 -21.5456 -16.7452 -16.7452 -16.5753 -16.5753 -16.5557 -16.5557 -5.1928 -5.1928 -5.1320 -5.1320 2.0990 2.0990 2.8560 2.8560 4.1796 4.1796 4.2897 4.2897 4.5068 4.5068 4.6619 4.6619 7.8438 7.8438 9.3228 9.3228 9.4658 9.4658 10.4138 10.4138 k = 0.5467-0.0255-0.9953 ( 5020 PWs) bands (ev): -44.6860 -44.6860 -43.1138 -43.1138 -22.0751 -22.0751 -21.5855 -21.5855 -21.5449 -21.5449 -16.7451 -16.7451 -16.5753 -16.5753 -16.5556 -16.5556 -5.1978 -5.1978 -5.1332 -5.1332 2.0787 2.0787 2.8475 2.8475 4.2046 4.2046 4.3127 4.3127 4.5484 4.5484 4.6615 4.6615 7.7961 7.7961 9.3329 9.3329 9.4795 9.4795 10.4406 10.4406 k = 0.5409-0.0048-0.9953 ( 5024 PWs) bands (ev): -44.6860 -44.6860 -43.1139 -43.1139 -22.0750 -22.0750 -21.5858 -21.5858 -21.5442 -21.5442 -16.7451 -16.7451 -16.5753 -16.5753 -16.5555 -16.5555 -5.2023 -5.2023 -5.1342 -5.1342 2.0607 2.0607 2.8400 2.8400 4.2288 4.2288 4.3268 4.3268 4.5906 4.5906 4.6631 4.6631 7.7515 7.7515 9.3429 9.3429 9.4916 9.4916 10.4690 10.4690 k = 0.5350 0.0160-0.9953 ( 5022 PWs) bands (ev): -44.6860 -44.6860 -43.1139 -43.1139 -22.0750 -22.0750 -21.5860 -21.5860 -21.5437 -21.5437 -16.7451 -16.7451 -16.5753 -16.5753 -16.5554 -16.5554 -5.2062 -5.2062 -5.1352 -5.1352 2.0450 2.0450 2.8334 2.8334 4.2516 4.2516 4.3355 4.3355 4.6194 4.6194 4.6766 4.6766 7.7108 7.7108 9.3528 9.3528 9.5023 9.5023 10.4987 10.4987 k = 0.5292 0.0368-0.9953 ( 5018 PWs) bands (ev): -44.6860 -44.6860 -43.1139 -43.1139 -22.0749 -22.0749 -21.5862 -21.5862 -21.5431 -21.5431 -16.7451 -16.7451 -16.5753 -16.5753 -16.5553 -16.5553 -5.2097 -5.2097 -5.1360 -5.1360 2.0317 2.0317 2.8277 2.8277 4.2722 4.2722 4.3415 4.3415 4.6259 4.6259 4.7081 4.7081 7.6746 7.6746 9.3621 9.3621 9.5114 9.5114 10.5291 10.5291 k = 0.5234 0.0575-0.9953 ( 5018 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0749 -22.0749 -21.5864 -21.5864 -21.5427 -21.5427 -16.7451 -16.7451 -16.5753 -16.5753 -16.5552 -16.5552 -5.2125 -5.2125 -5.1366 -5.1366 2.0208 2.0208 2.8231 2.8231 4.2899 4.2899 4.3463 4.3463 4.6229 4.6229 4.7431 4.7431 7.6437 7.6437 9.3704 9.3704 9.5188 9.5188 10.5592 10.5592 k = 0.5175 0.0783-0.9953 ( 5018 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0748 -22.0748 -21.5865 -21.5865 -21.5424 -21.5424 -16.7451 -16.7451 -16.5753 -16.5753 -16.5552 -16.5552 -5.2147 -5.2147 -5.1371 -5.1371 2.0123 2.0123 2.8194 2.8194 4.3038 4.3038 4.3508 4.3508 4.6178 4.6178 4.7733 4.7733 7.6188 7.6188 9.3772 9.3772 9.5247 9.5247 10.5873 10.5873 k = 0.5117 0.0991-0.9953 ( 5020 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0748 -22.0748 -21.5866 -21.5866 -21.5422 -21.5422 -16.7450 -16.7450 -16.5753 -16.5753 -16.5551 -16.5551 -5.2164 -5.2164 -5.1375 -5.1375 2.0062 2.0062 2.8168 2.8168 4.3131 4.3131 4.3552 4.3552 4.6129 4.6129 4.7960 4.7960 7.6004 7.6004 9.3823 9.3823 9.5288 9.5288 10.6111 10.6111 k = 0.5058 0.1198-0.9953 ( 5022 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0748 -22.0748 -21.5867 -21.5867 -21.5420 -21.5420 -16.7450 -16.7450 -16.5753 -16.5753 -16.5551 -16.5551 -5.2173 -5.2173 -5.1377 -5.1377 2.0026 2.0026 2.8152 2.8152 4.3182 4.3182 4.3587 4.3587 4.6095 4.6095 4.8101 4.8101 7.5892 7.5892 9.3855 9.3855 9.5313 9.5313 10.6275 10.6275 k = 0.5000 0.1406-0.9953 ( 5018 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0748 -22.0748 -21.5867 -21.5867 -21.5420 -21.5420 -16.7450 -16.7450 -16.5753 -16.5753 -16.5551 -16.5551 -5.2177 -5.2177 -5.1378 -5.1378 2.0013 2.0013 2.8147 2.8147 4.3198 4.3198 4.3601 4.3601 4.6082 4.6082 4.8149 4.8149 7.5855 7.5855 9.3866 9.3866 9.5322 9.5322 10.6335 10.6335 k = 0.5000 0.1406-0.9953 ( 5018 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0748 -22.0748 -21.5867 -21.5867 -21.5420 -21.5420 -16.7450 -16.7450 -16.5753 -16.5753 -16.5551 -16.5551 -5.2177 -5.2177 -5.1378 -5.1378 2.0013 2.0013 2.8147 2.8147 4.3198 4.3198 4.3601 4.3601 4.6082 4.6082 4.8149 4.8149 7.5855 7.5855 9.3866 9.3866 9.5322 9.5322 10.6335 10.6335 k = 0.5175 0.1455-0.9858 ( 5020 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0748 -22.0748 -21.5867 -21.5867 -21.5420 -21.5420 -16.7450 -16.7450 -16.5753 -16.5753 -16.5551 -16.5551 -5.2179 -5.2179 -5.1377 -5.1377 2.0021 2.0021 2.8150 2.8150 4.3190 4.3190 4.3592 4.3592 4.6076 4.6076 4.8151 4.8151 7.5863 7.5863 9.3866 9.3866 9.5319 9.5319 10.6329 10.6329 k = 0.5350 0.1504-0.9763 ( 5016 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0748 -22.0748 -21.5867 -21.5867 -21.5420 -21.5420 -16.7450 -16.7450 -16.5753 -16.5753 -16.5551 -16.5551 -5.2184 -5.2184 -5.1375 -5.1375 2.0044 2.0044 2.8161 2.8161 4.3167 4.3167 4.3568 4.3568 4.6059 4.6059 4.8159 4.8159 7.5889 7.5889 9.3865 9.3865 9.5310 9.5310 10.6312 10.6312 k = 0.5525 0.1554-0.9668 ( 5017 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0748 -22.0748 -21.5867 -21.5867 -21.5420 -21.5420 -16.7450 -16.7450 -16.5753 -16.5753 -16.5551 -16.5551 -5.2193 -5.2193 -5.1372 -5.1372 2.0083 2.0083 2.8178 2.8178 4.3123 4.3123 4.3532 4.3532 4.6031 4.6031 4.8173 4.8173 7.5932 7.5932 9.3862 9.3862 9.5295 9.5295 10.6285 10.6285 k = 0.5701 0.1603-0.9573 ( 5025 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0747 -22.0747 -21.5866 -21.5866 -21.5420 -21.5420 -16.7450 -16.7450 -16.5753 -16.5753 -16.5551 -16.5551 -5.2207 -5.2207 -5.1368 -5.1368 2.0136 2.0136 2.8202 2.8202 4.3056 4.3056 4.3488 4.3488 4.5993 4.5993 4.8191 4.8191 7.5991 7.5991 9.3859 9.3859 9.5274 9.5274 10.6246 10.6246 k = 0.5876 0.1652-0.9478 ( 5024 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0747 -22.0747 -21.5866 -21.5866 -21.5420 -21.5420 -16.7450 -16.7450 -16.5753 -16.5753 -16.5551 -16.5551 -5.2223 -5.2223 -5.1363 -5.1363 2.0205 2.0205 2.8232 2.8232 4.2959 4.2959 4.3444 4.3444 4.5944 4.5944 4.8214 4.8214 7.6067 7.6067 9.3856 9.3856 9.5250 9.5250 10.6198 10.6198 k = 0.6051 0.1701-0.9383 ( 5028 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0747 -22.0747 -21.5865 -21.5865 -21.5419 -21.5419 -16.7450 -16.7450 -16.5753 -16.5753 -16.5552 -16.5552 -5.2243 -5.2243 -5.1357 -5.1357 2.0288 2.0288 2.8269 2.8269 4.2832 4.2832 4.3403 4.3403 4.5886 4.5886 4.8243 4.8243 7.6156 7.6156 9.3851 9.3851 9.5223 9.5223 10.6140 10.6140 k = 0.6226 0.1751-0.9288 ( 5028 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0746 -22.0746 -21.5865 -21.5865 -21.5419 -21.5419 -16.7450 -16.7450 -16.5753 -16.5753 -16.5552 -16.5552 -5.2267 -5.2267 -5.1349 -5.1349 2.0385 2.0385 2.8312 2.8312 4.2674 4.2674 4.3365 4.3365 4.5819 4.5819 4.8275 4.8275 7.6260 7.6260 9.3846 9.3846 9.5195 9.5195 10.6074 10.6074 k = 0.6401 0.1800-0.9193 ( 5027 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0746 -22.0746 -21.5864 -21.5864 -21.5419 -21.5419 -16.7450 -16.7450 -16.5752 -16.5752 -16.5552 -16.5552 -5.2293 -5.2293 -5.1341 -5.1341 2.0497 2.0497 2.8361 2.8361 4.2489 4.2489 4.3329 4.3329 4.5744 4.5744 4.8312 4.8312 7.6377 7.6377 9.3840 9.3840 9.5166 9.5166 10.6000 10.6000 k = 0.6576 0.1849-0.9099 ( 5025 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0745 -22.0745 -21.5863 -21.5863 -21.5419 -21.5419 -16.7450 -16.7450 -16.5752 -16.5752 -16.5552 -16.5552 -5.2323 -5.2323 -5.1333 -5.1333 2.0621 2.0621 2.8415 2.8415 4.2278 4.2278 4.3296 4.3296 4.5664 4.5664 4.8352 4.8352 7.6506 7.6506 9.3833 9.3833 9.5137 9.5137 10.5920 10.5920 k = 0.6576 0.1849-0.9099 ( 5025 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0745 -22.0745 -21.5863 -21.5863 -21.5419 -21.5419 -16.7450 -16.7450 -16.5752 -16.5752 -16.5552 -16.5552 -5.2323 -5.2323 -5.1333 -5.1333 2.0621 2.0621 2.8415 2.8415 4.2278 4.2278 4.3296 4.3296 4.5664 4.5664 4.8352 4.8352 7.6506 7.6506 9.3833 9.3833 9.5137 9.5137 10.5920 10.5920 k = 0.6542 0.1840-0.8882 ( 5016 PWs) bands (ev): -44.6860 -44.6860 -43.1141 -43.1141 -22.0743 -22.0743 -21.5859 -21.5859 -21.5419 -21.5419 -16.7449 -16.7449 -16.5750 -16.5750 -16.5552 -16.5552 -5.2389 -5.2389 -5.1351 -5.1351 2.0740 2.0740 2.8397 2.8397 4.2254 4.2254 4.3321 4.3321 4.5857 4.5857 4.8367 4.8367 7.6464 7.6464 9.3802 9.3802 9.5042 9.5042 10.5892 10.5892 k = 0.6508 0.1830-0.8666 ( 5022 PWs) bands (ev): -44.6860 -44.6860 -43.1142 -43.1142 -22.0740 -22.0740 -21.5855 -21.5855 -21.5418 -21.5418 -16.7448 -16.7448 -16.5749 -16.5749 -16.5552 -16.5552 -5.2473 -5.2473 -5.1379 -5.1379 2.0908 2.0908 2.8390 2.8390 4.2191 4.2191 4.3348 4.3348 4.6085 4.6085 4.8394 4.8394 7.6440 7.6440 9.3759 9.3759 9.4932 9.4932 10.5851 10.5851 k = 0.6474 0.1820-0.8449 ( 5026 PWs) bands (ev): -44.6860 -44.6860 -43.1142 -43.1142 -22.0736 -22.0736 -21.5849 -21.5849 -21.5418 -21.5418 -16.7447 -16.7447 -16.5747 -16.5747 -16.5552 -16.5552 -5.2574 -5.2574 -5.1416 -5.1416 2.1123 2.1123 2.8396 2.8396 4.2097 4.2097 4.3377 4.3377 4.6336 4.6336 4.8433 4.8433 7.6438 7.6438 9.3706 9.3706 9.4810 9.4810 10.5799 10.5799 k = 0.6439 0.1811-0.8233 ( 5020 PWs) bands (ev): -44.6860 -44.6860 -43.1143 -43.1143 -22.0732 -22.0732 -21.5842 -21.5842 -21.5417 -21.5417 -16.7445 -16.7445 -16.5744 -16.5744 -16.5552 -16.5552 -5.2691 -5.2691 -5.1461 -5.1461 2.1384 2.1384 2.8416 2.8416 4.1978 4.1978 4.3408 4.3408 4.6603 4.6603 4.8485 4.8485 7.6456 7.6456 9.3640 9.3640 9.4679 9.4679 10.5735 10.5735 k = 0.6405 0.1801-0.8017 ( 5018 PWs) bands (ev): -44.6861 -44.6861 -43.1144 -43.1144 -22.0727 -22.0727 -21.5835 -21.5835 -21.5416 -21.5416 -16.7443 -16.7443 -16.5741 -16.5741 -16.5552 -16.5552 -5.2825 -5.2825 -5.1514 -5.1514 2.1687 2.1687 2.8453 2.8453 4.1839 4.1839 4.3441 4.3441 4.6880 4.6880 4.8551 4.8551 7.6496 7.6496 9.3564 9.3564 9.4540 9.4540 10.5660 10.5660 k = 0.6371 0.1791-0.7800 ( 5025 PWs) bands (ev): -44.6861 -44.6861 -43.1145 -43.1145 -22.0721 -22.0721 -21.5826 -21.5826 -21.5414 -21.5414 -16.7441 -16.7441 -16.5738 -16.5738 -16.5553 -16.5553 -5.2976 -5.2976 -5.1574 -5.1574 2.2031 2.2031 2.8508 2.8508 4.1682 4.1682 4.3475 4.3475 4.7163 4.7163 4.8631 4.8631 7.6556 7.6556 9.3475 9.3475 9.4395 9.4395 10.5575 10.5575 k = 0.6337 0.1782-0.7584 ( 5022 PWs) bands (ev): -44.6861 -44.6861 -43.1147 -43.1147 -22.0715 -22.0715 -21.5816 -21.5816 -21.5413 -21.5413 -16.7439 -16.7439 -16.5735 -16.5735 -16.5553 -16.5553 -5.3142 -5.3142 -5.1639 -5.1639 2.2411 2.2411 2.8583 2.8583 4.1512 4.1512 4.3509 4.3509 4.7448 4.7448 4.8727 4.8727 7.6637 7.6637 9.3377 9.3377 9.4246 9.4246 10.5240 10.5240 k = 0.6302 0.1772-0.7368 ( 5019 PWs) bands (ev): -44.6861 -44.6861 -43.1148 -43.1148 -22.0708 -22.0708 -21.5806 -21.5806 -21.5411 -21.5411 -16.7436 -16.7436 -16.5731 -16.5731 -16.5553 -16.5553 -5.3324 -5.3324 -5.1710 -5.1710 2.2824 2.2824 2.8680 2.8680 4.1332 4.1332 4.3542 4.3542 4.7731 4.7731 4.8839 4.8839 7.6739 7.6739 9.3267 9.3267 9.4096 9.4096 10.4695 10.4695 k = 0.6268 0.1763-0.7151 ( 5017 PWs) bands (ev): -44.6862 -44.6862 -43.1150 -43.1150 -22.0701 -22.0701 -21.5795 -21.5795 -21.5409 -21.5409 -16.7433 -16.7433 -16.5726 -16.5726 -16.5554 -16.5554 -5.3520 -5.3520 -5.1786 -5.1786 2.3264 2.3264 2.8802 2.8802 4.1146 4.1146 4.3573 4.3573 4.8011 4.8011 4.8968 4.8968 7.6862 7.6862 9.3148 9.3148 9.3945 9.3945 10.4134 10.4134 k = 0.6234 0.1753-0.6935 ( 5021 PWs) bands (ev): -44.6862 -44.6862 -43.1151 -43.1151 -22.0693 -22.0693 -21.5783 -21.5783 -21.5407 -21.5407 -16.7431 -16.7431 -16.5722 -16.5722 -16.5554 -16.5554 -5.3730 -5.3730 -5.1865 -5.1865 2.3727 2.3727 2.8950 2.8950 4.0956 4.0956 4.3602 4.3602 4.8283 4.8283 4.9116 4.9116 7.7004 7.7004 9.3017 9.3017 9.3794 9.3794 10.3565 10.3565 k = 0.6199 0.1743-0.6718 ( 5020 PWs) bands (ev): -44.6862 -44.6862 -43.1153 -43.1153 -22.0685 -22.0685 -21.5770 -21.5770 -21.5405 -21.5405 -16.7428 -16.7428 -16.5717 -16.5717 -16.5555 -16.5555 -5.3953 -5.3953 -5.1947 -5.1947 2.4206 2.4206 2.9126 2.9126 4.0769 4.0769 4.3628 4.3628 4.8547 4.8547 4.9281 4.9281 7.7167 7.7167 9.2875 9.2875 9.3647 9.3647 10.2993 10.2993 k = 0.6165 0.1734-0.6502 ( 5026 PWs) bands (ev): -44.6863 -44.6863 -43.1155 -43.1155 -22.0676 -22.0676 -21.5757 -21.5757 -21.5402 -21.5402 -16.7425 -16.7425 -16.5712 -16.5712 -16.5555 -16.5555 -5.4188 -5.4188 -5.2032 -5.2032 2.4696 2.4696 2.9331 2.9331 4.0588 4.0588 4.3649 4.3649 4.8801 4.8801 4.9464 4.9464 7.7349 7.7349 9.2723 9.2723 9.3502 9.3502 10.2422 10.2422 k = 0.6131 0.1724-0.6286 ( 5019 PWs) bands (ev): -44.6863 -44.6863 -43.1157 -43.1157 -22.0667 -22.0667 -21.5744 -21.5744 -21.5398 -21.5398 -16.7421 -16.7421 -16.5706 -16.5706 -16.5556 -16.5556 -5.4433 -5.4433 -5.2120 -5.2120 2.5189 2.5189 2.9567 2.9567 4.0422 4.0422 4.3666 4.3666 4.9045 4.9045 4.9661 4.9661 7.7551 7.7551 9.2560 9.2560 9.3363 9.3363 10.1858 10.1858 k = 0.6097 0.1714-0.6069 ( 5019 PWs) bands (ev): -44.6863 -44.6863 -43.1159 -43.1159 -22.0658 -22.0658 -21.5730 -21.5730 -21.5395 -21.5395 -16.7418 -16.7418 -16.5700 -16.5700 -16.5556 -16.5556 -5.4687 -5.4687 -5.2209 -5.2209 2.5680 2.5680 2.9830 2.9830 4.0278 4.0278 4.3679 4.3679 4.9280 4.9280 4.9869 4.9869 7.7770 7.7770 9.2385 9.2385 9.3231 9.3231 10.1305 10.1305 k = 0.6062 0.1705-0.5853 ( 5019 PWs) bands (ev): -44.6864 -44.6864 -43.1161 -43.1161 -22.0648 -22.0648 -21.5716 -21.5716 -21.5390 -21.5390 -16.7414 -16.7414 -16.5694 -16.5694 -16.5557 -16.5557 -5.4949 -5.4949 -5.2300 -5.2300 2.6164 2.6164 3.0117 3.0117 4.0165 4.0165 4.3686 4.3686 4.9506 4.9506 5.0085 5.0085 7.8007 7.8007 9.2199 9.2199 9.3105 9.3105 10.0767 10.0767 k = 0.6028 0.1695-0.5637 ( 5019 PWs) bands (ev): -44.6864 -44.6864 -43.1163 -43.1163 -22.0639 -22.0639 -21.5701 -21.5701 -21.5386 -21.5386 -16.7411 -16.7411 -16.5688 -16.5688 -16.5557 -16.5557 -5.5218 -5.5218 -5.2392 -5.2392 2.6636 2.6636 3.0421 3.0421 4.0096 4.0096 4.3688 4.3688 4.9720 4.9720 5.0309 5.0309 7.8261 7.8261 9.2000 9.2000 9.2988 9.2988 10.0246 10.0246 k = 0.5994 0.1685-0.5420 ( 5018 PWs) bands (ev): -44.6864 -44.6864 -43.1165 -43.1165 -22.0629 -22.0629 -21.5687 -21.5687 -21.5380 -21.5380 -16.7407 -16.7407 -16.5682 -16.5682 -16.5558 -16.5558 -5.5491 -5.5491 -5.2485 -5.2485 2.7094 2.7094 3.0729 3.0729 4.0083 4.0083 4.3685 4.3685 4.9920 4.9920 5.0541 5.0541 7.8529 7.8529 9.1789 9.1789 9.2880 9.2880 9.9748 9.9748 k = 0.5960 0.1676-0.5204 ( 5015 PWs) bands (ev): -44.6865 -44.6865 -43.1168 -43.1168 -22.0619 -22.0619 -21.5673 -21.5673 -21.5374 -21.5374 -16.7403 -16.7403 -16.5675 -16.5675 -16.5558 -16.5558 -5.5768 -5.5768 -5.2579 -5.2579 2.7539 2.7539 3.1027 3.1027 4.0142 4.0142 4.3676 4.3676 5.0098 5.0098 5.0785 5.0785 7.8812 7.8812 9.1565 9.1565 9.2781 9.2781 9.9276 9.9276 k = 0.5925 0.1666-0.4987 ( 5014 PWs) bands (ev): -44.6865 -44.6865 -43.1170 -43.1170 -22.0609 -22.0609 -21.5660 -21.5660 -21.5367 -21.5367 -16.7400 -16.7400 -16.5669 -16.5669 -16.5559 -16.5559 -5.6047 -5.6047 -5.2673 -5.2673 2.7972 2.7972 3.1297 3.1297 4.0286 4.0286 4.3663 4.3663 5.0247 5.0247 5.1044 5.1044 7.9107 7.9107 9.1327 9.1327 9.2691 9.2691 9.8832 9.8832 k = 0.5891 0.1657-0.4771 ( 5015 PWs) bands (ev): -44.6865 -44.6865 -43.1172 -43.1172 -22.0598 -22.0598 -21.5646 -21.5646 -21.5359 -21.5359 -16.7396 -16.7396 -16.5662 -16.5662 -16.5559 -16.5559 -5.6328 -5.6328 -5.2767 -5.2767 2.8398 2.8398 3.1524 3.1524 4.0528 4.0528 4.3645 4.3645 5.0364 5.0364 5.1320 5.1320 7.9411 7.9411 9.1075 9.1075 9.2610 9.2610 9.8422 9.8422 k = 0.5857 0.1647-0.4555 ( 5015 PWs) bands (ev): -44.6866 -44.6866 -43.1175 -43.1175 -22.0588 -22.0588 -21.5634 -21.5634 -21.5351 -21.5351 -16.7392 -16.7392 -16.5655 -16.5655 -16.5560 -16.5560 -5.6608 -5.6608 -5.2861 -5.2861 2.8818 2.8818 3.1696 3.1696 4.0876 4.0876 4.3623 4.3623 5.0445 5.0445 5.1612 5.1612 7.9724 7.9724 9.0809 9.0809 9.2536 9.2536 9.8050 9.8050 k = 0.5822 0.1637-0.4338 ( 5010 PWs) bands (ev): -44.6866 -44.6866 -43.1177 -43.1177 -22.0578 -22.0578 -21.5622 -21.5622 -21.5341 -21.5341 -16.7388 -16.7388 -16.5649 -16.5649 -16.5560 -16.5560 -5.6887 -5.6887 -5.2955 -5.2955 2.9235 2.9235 3.1808 3.1808 4.1331 4.1331 4.3597 4.3597 5.0490 5.0490 5.1921 5.1921 8.0042 8.0042 9.0528 9.0528 9.2465 9.2465 9.7721 9.7721 k = 0.5788 0.1628-0.4122 ( 5010 PWs) bands (ev): -44.6867 -44.6867 -43.1179 -43.1179 -22.0568 -22.0568 -21.5611 -21.5611 -21.5331 -21.5331 -16.7385 -16.7385 -16.5642 -16.5642 -16.5560 -16.5560 -5.7163 -5.7163 -5.3047 -5.3047 2.9654 2.9654 3.1860 3.1860 4.1887 4.1887 4.3568 4.3568 5.0497 5.0497 5.2243 5.2243 8.0362 8.0362 9.0234 9.0234 9.2395 9.2395 9.7443 9.7443 k = 0.5754 0.1618-0.3906 ( 5013 PWs) bands (ev): -44.6867 -44.6867 -43.1182 -43.1182 -22.0558 -22.0558 -21.5600 -21.5600 -21.5320 -21.5320 -16.7381 -16.7381 -16.5635 -16.5635 -16.5560 -16.5560 -5.7435 -5.7435 -5.3138 -5.3138 3.0073 3.0073 3.1859 3.1859 4.2534 4.2534 4.3538 4.3538 5.0467 5.0467 5.2576 5.2576 8.0681 8.0681 8.9925 8.9925 9.2318 9.2318 9.7222 9.7222 k = 0.5720 0.1608-0.3689 ( 5015 PWs) bands (ev): -44.6867 -44.6867 -43.1184 -43.1184 -22.0549 -22.0549 -21.5591 -21.5591 -21.5308 -21.5308 -16.7378 -16.7378 -16.5629 -16.5629 -16.5561 -16.5561 -5.7702 -5.7702 -5.3228 -5.3228 3.0491 3.0491 3.1819 3.1819 4.3242 4.3242 4.3524 4.3524 5.0398 5.0398 5.2920 5.2920 8.0998 8.0998 8.9604 8.9604 9.2229 9.2229 9.7068 9.7068 k = 0.5685 0.1599-0.3473 ( 5013 PWs) bands (ev): -44.6868 -44.6868 -43.1186 -43.1186 -22.0539 -22.0539 -21.5582 -21.5582 -21.5296 -21.5296 -16.7374 -16.7374 -16.5622 -16.5622 -16.5561 -16.5561 -5.7964 -5.7964 -5.3316 -5.3316 3.0891 3.0891 3.1766 3.1766 4.3444 4.3444 4.4080 4.4080 5.0293 5.0293 5.3272 5.3272 8.1307 8.1307 8.9271 8.9271 9.2119 9.2119 9.6987 9.6987 k = 0.5651 0.1589-0.3257 ( 5007 PWs) bands (ev): -44.6868 -44.6868 -43.1188 -43.1188 -22.0530 -22.0530 -21.5574 -21.5574 -21.5283 -21.5283 -16.7371 -16.7371 -16.5616 -16.5616 -16.5561 -16.5561 -5.8219 -5.8219 -5.3403 -5.3403 3.1196 3.1196 3.1790 3.1790 4.3412 4.3412 4.4923 4.4923 5.0151 5.0151 5.3630 5.3630 8.1609 8.1609 8.8927 8.8927 9.1985 9.1985 9.6985 9.6985 k = 0.5617 0.1579-0.3040 ( 5007 PWs) bands (ev): -44.6868 -44.6868 -43.1190 -43.1190 -22.0521 -22.0521 -21.5567 -21.5567 -21.5269 -21.5269 -16.7368 -16.7368 -16.5609 -16.5609 -16.5561 -16.5561 -5.8465 -5.8465 -5.3486 -5.3486 3.1245 3.1245 3.2056 3.2056 4.3372 4.3372 4.5813 4.5813 4.9973 4.9973 5.3992 5.3992 8.1897 8.1897 8.8574 8.8574 9.1821 9.1821 9.7066 9.7066 k = 0.5583 0.1570-0.2824 ( 5021 PWs) bands (ev): -44.6869 -44.6869 -43.1193 -43.1193 -22.0513 -22.0513 -21.5560 -21.5560 -21.5256 -21.5256 -16.7365 -16.7365 -16.5604 -16.5604 -16.5562 -16.5562 -5.8704 -5.8704 -5.3567 -5.3567 3.1139 3.1139 3.2475 3.2475 4.3331 4.3331 4.6732 4.6732 4.9762 4.9762 5.4357 5.4357 8.2172 8.2172 8.8214 8.8214 9.1628 9.1628 9.7229 9.7229 k = 0.5548 0.1560-0.2607 ( 5016 PWs) bands (ev): -44.6869 -44.6869 -43.1195 -43.1195 -22.0505 -22.0505 -21.5554 -21.5554 -21.5242 -21.5242 -16.7362 -16.7362 -16.5598 -16.5598 -16.5561 -16.5561 -5.8933 -5.8933 -5.3645 -5.3645 3.0987 3.0987 3.2941 3.2941 4.3289 4.3289 4.7663 4.7663 4.9526 4.9526 5.4723 5.4723 8.2431 8.2431 8.7849 8.7849 9.1406 9.1406 9.7470 9.7470 k = 0.5514 0.1551-0.2391 ( 5012 PWs) bands (ev): -44.6870 -44.6870 -43.1197 -43.1197 -22.0497 -22.0497 -21.5549 -21.5549 -21.5228 -21.5228 -16.7359 -16.7359 -16.5593 -16.5593 -16.5561 -16.5561 -5.9151 -5.9151 -5.3720 -5.3720 3.0820 3.0820 3.3430 3.3430 4.3247 4.3247 4.8551 4.8551 4.9313 4.9313 5.5087 5.5087 8.2672 8.2672 8.7481 8.7481 9.1160 9.1160 9.7784 9.7784 k = 0.5480 0.1541-0.2175 ( 5010 PWs) bands (ev): -44.6870 -44.6870 -43.1198 -43.1198 -22.0489 -22.0489 -21.5545 -21.5545 -21.5215 -21.5215 -16.7356 -16.7356 -16.5588 -16.5588 -16.5560 -16.5560 -5.9359 -5.9359 -5.3792 -5.3792 3.0648 3.0648 3.3934 3.3934 4.3206 4.3206 4.8795 4.8795 4.9714 4.9714 5.5447 5.5447 8.2895 8.2895 8.7114 8.7114 9.0895 9.0895 9.8163 9.8163 k = 0.5446 0.1531-0.1958 ( 5006 PWs) bands (ev): -44.6870 -44.6870 -43.1200 -43.1200 -22.0482 -22.0482 -21.5540 -21.5540 -21.5202 -21.5202 -16.7353 -16.7353 -16.5584 -16.5584 -16.5559 -16.5559 -5.9556 -5.9556 -5.3859 -5.3859 3.0476 3.0476 3.4452 3.4452 4.3165 4.3165 4.8500 4.8500 5.0620 5.0620 5.5801 5.5801 8.3097 8.3097 8.6750 8.6750 9.0615 9.0615 9.8599 9.8599 k = 0.5411 0.1522-0.1742 ( 5011 PWs) bands (ev): -44.6871 -44.6871 -43.1202 -43.1202 -22.0476 -22.0476 -21.5537 -21.5537 -21.5189 -21.5189 -16.7351 -16.7351 -16.5580 -16.5580 -16.5558 -16.5558 -5.9740 -5.9740 -5.3923 -5.3923 3.0308 3.0308 3.4980 3.4980 4.3125 4.3125 4.8137 4.8137 5.1552 5.1552 5.6146 5.6146 8.3278 8.3278 8.6392 8.6392 9.0325 9.0325 9.9082 9.9082 k = 0.5377 0.1512-0.1526 ( 5011 PWs) bands (ev): -44.6871 -44.6871 -43.1204 -43.1204 -22.0470 -22.0470 -21.5534 -21.5534 -21.5177 -21.5177 -16.7349 -16.7349 -16.5578 -16.5578 -16.5556 -16.5556 -5.9911 -5.9911 -5.3983 -5.3983 3.0147 3.0147 3.5518 3.5518 4.3087 4.3087 4.7741 4.7741 5.2469 5.2469 5.6480 5.6480 8.3437 8.3437 8.6044 8.6044 9.0032 9.0032 9.9606 9.9606 k = 0.5343 0.1502-0.1309 ( 5007 PWs) bands (ev): -44.6871 -44.6871 -43.1205 -43.1205 -22.0464 -22.0464 -21.5531 -21.5531 -21.5165 -21.5165 -16.7347 -16.7347 -16.5576 -16.5576 -16.5553 -16.5553 -6.0069 -6.0069 -5.4038 -5.4038 2.9995 2.9995 3.6065 3.6065 4.3051 4.3051 4.7318 4.7318 5.3357 5.3357 5.6801 5.6801 8.3572 8.3572 8.5709 8.5709 8.9741 8.9741 10.0160 10.0160 k = 0.5308 0.1493-0.1093 ( 5004 PWs) bands (ev): -44.6871 -44.6871 -43.1206 -43.1206 -22.0459 -22.0459 -21.5528 -21.5528 -21.5155 -21.5155 -16.7345 -16.7345 -16.5574 -16.5574 -16.5551 -16.5551 -6.0214 -6.0214 -5.4088 -5.4088 2.9853 2.9853 3.6619 3.6619 4.3018 4.3018 4.6871 4.6871 5.4205 5.4205 5.7105 5.7105 8.3683 8.3683 8.5392 8.5392 8.9459 8.9459 10.0735 10.0735 k = 0.5274 0.1483-0.0876 ( 5004 PWs) bands (ev): -44.6871 -44.6871 -43.1208 -43.1208 -22.0454 -22.0454 -21.5526 -21.5526 -21.5145 -21.5145 -16.7343 -16.7343 -16.5573 -16.5573 -16.5548 -16.5548 -6.0344 -6.0344 -5.4134 -5.4134 2.9723 2.9723 3.7178 3.7178 4.2987 4.2987 4.6405 4.6405 5.5003 5.5003 5.7391 5.7391 8.3769 8.3769 8.5094 8.5094 8.9192 8.9192 10.1321 10.1321 k = 0.5240 0.1473-0.0660 ( 5009 PWs) bands (ev): -44.6872 -44.6872 -43.1209 -43.1209 -22.0450 -22.0450 -21.5524 -21.5524 -21.5136 -21.5136 -16.7342 -16.7342 -16.5573 -16.5573 -16.5546 -16.5546 -6.0460 -6.0460 -5.4174 -5.4174 2.9606 2.9606 3.7742 3.7742 4.2958 4.2958 4.5922 4.5922 5.5738 5.5738 5.7657 5.7657 8.3830 8.3830 8.4821 8.4821 8.8945 8.8945 10.1905 10.1905 k = 0.5206 0.1464-0.0444 ( 5007 PWs) bands (ev): -44.6872 -44.6872 -43.1210 -43.1210 -22.0447 -22.0447 -21.5523 -21.5523 -21.5128 -21.5128 -16.7340 -16.7340 -16.5572 -16.5572 -16.5543 -16.5543 -6.0561 -6.0561 -5.4210 -5.4210 2.9503 2.9503 3.8306 3.8306 4.2932 4.2932 4.5425 4.5425 5.6398 5.6398 5.7901 5.7901 8.3868 8.3868 8.4576 8.4576 8.8726 8.8726 10.2475 10.2475 k = 0.5171 0.1454-0.0227 ( 5010 PWs) bands (ev): -44.6872 -44.6872 -43.1210 -43.1210 -22.0444 -22.0444 -21.5521 -21.5521 -21.5121 -21.5121 -16.7339 -16.7339 -16.5572 -16.5572 -16.5541 -16.5541 -6.0648 -6.0648 -5.4240 -5.4240 2.9414 2.9414 3.8868 3.8868 4.2908 4.2908 4.4920 4.4920 5.6968 5.6968 5.8125 5.8125 8.3885 8.3885 8.4362 8.4362 8.8537 8.8537 10.3014 10.3014 k = 0.5137 0.1445-0.0011 ( 4998 PWs) bands (ev): -44.6872 -44.6872 -43.1211 -43.1211 -22.0441 -22.0441 -21.5520 -21.5520 -21.5116 -21.5116 -16.7338 -16.7338 -16.5572 -16.5572 -16.5539 -16.5539 -6.0718 -6.0718 -5.4265 -5.4265 2.9341 2.9341 3.9423 3.9423 4.2887 4.2887 4.4414 4.4414 5.7435 5.7435 5.8331 5.8331 8.3886 8.3886 8.4183 8.4183 8.8383 8.8383 10.3502 10.3502 k = 0.5103 0.1435 0.0205 ( 5002 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0439 -22.0439 -21.5520 -21.5520 -21.5111 -21.5111 -16.7337 -16.7337 -16.5572 -16.5572 -16.5538 -16.5538 -6.0773 -6.0773 -5.4285 -5.4285 2.9284 2.9284 3.9960 3.9960 4.2864 4.2864 4.3920 4.3920 5.7785 5.7785 5.8518 5.8518 8.3878 8.3878 8.4039 8.4039 8.8263 8.8263 10.3917 10.3917 k = 0.5069 0.1425 0.0422 ( 4999 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0438 -22.0438 -21.5519 -21.5519 -21.5108 -21.5108 -16.7337 -16.7337 -16.5572 -16.5572 -16.5537 -16.5537 -6.0813 -6.0813 -5.4299 -5.4299 2.9243 2.9243 4.0457 4.0457 4.2831 4.2831 4.3469 4.3469 5.8016 5.8016 5.8679 5.8679 8.3865 8.3865 8.3936 8.3936 8.8178 8.8178 10.4231 10.4231 k = 0.5034 0.1416 0.0638 ( 4994 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5519 -21.5519 -21.5106 -21.5106 -16.7336 -16.7336 -16.5571 -16.5571 -16.5536 -16.5536 -6.0837 -6.0837 -5.4307 -5.4307 2.9218 2.9218 4.0860 4.0860 4.2756 4.2756 4.3149 4.3149 5.8144 5.8144 5.8790 5.8790 8.3855 8.3855 8.3873 8.3873 8.8128 8.8128 10.4410 10.4410 k = 0.5000 0.1406 0.0855 ( 5000 PWs) bands (ev): -44.6872 -44.6872 -43.1212 -43.1212 -22.0437 -22.0437 -21.5518 -21.5518 -21.5105 -21.5105 -16.7336 -16.7336 -16.5572 -16.5572 -16.5536 -16.5536 -6.0845 -6.0845 -5.4310 -5.4310 2.9210 2.9210 4.1032 4.1032 4.2682 4.2682 4.3054 4.3054 5.8184 5.8184 5.8830 5.8830 8.3847 8.3847 8.3855 8.3855 8.8111 8.8111 10.4455 10.4455 k = 0.5000-0.8188-0.4977 ( 5006 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0748 -22.0748 -21.5867 -21.5867 -21.5419 -21.5419 -16.7450 -16.7450 -16.5753 -16.5753 -16.5551 -16.5551 -5.2397 -5.2397 -5.1194 -5.1194 2.2530 2.2530 2.9801 2.9801 3.8117 3.8117 4.2747 4.2747 4.3174 4.3174 4.8971 4.8971 7.9027 7.9027 9.3827 9.3827 9.5249 9.5249 10.4809 10.4809 k = 0.5185-0.8105-0.4926 ( 5009 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0748 -22.0748 -21.5867 -21.5867 -21.5419 -21.5419 -16.7451 -16.7451 -16.5753 -16.5753 -16.5551 -16.5551 -5.2397 -5.2397 -5.1195 -5.1195 2.2517 2.2517 2.9791 2.9791 3.8143 3.8143 4.2750 4.2750 4.3187 4.3187 4.8968 4.8968 7.9014 7.9014 9.3827 9.3827 9.5248 9.5248 10.4814 10.4814 k = 0.5371-0.8022-0.4876 ( 5005 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0747 -22.0747 -21.5866 -21.5866 -21.5419 -21.5419 -16.7450 -16.7450 -16.5753 -16.5753 -16.5551 -16.5551 -5.2396 -5.2396 -5.1196 -5.1196 2.2480 2.2480 2.9762 2.9762 3.8220 3.8220 4.2757 4.2757 4.3225 4.3225 4.8958 4.8958 7.8977 7.8977 9.3828 9.3828 9.5248 9.5248 10.4831 10.4831 k = 0.5556-0.7940-0.4826 ( 5003 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0747 -22.0747 -21.5866 -21.5866 -21.5419 -21.5419 -16.7450 -16.7450 -16.5753 -16.5753 -16.5551 -16.5551 -5.2395 -5.2395 -5.1198 -5.1198 2.2420 2.2420 2.9715 2.9715 3.8346 3.8346 4.2769 4.2769 4.3288 4.3288 4.8943 4.8943 7.8914 7.8914 9.3829 9.3829 9.5245 9.5245 10.4858 10.4858 k = 0.5742-0.7857-0.4775 ( 5011 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0747 -22.0747 -21.5866 -21.5866 -21.5419 -21.5419 -16.7451 -16.7451 -16.5753 -16.5753 -16.5551 -16.5551 -5.2393 -5.2393 -5.1201 -5.1201 2.2338 2.2338 2.9652 2.9652 3.8517 3.8517 4.2786 4.2786 4.3375 4.3375 4.8921 4.8921 7.8827 7.8827 9.3830 9.3830 9.5242 9.5242 10.4896 10.4896 k = 0.5927-0.7774-0.4725 ( 5010 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0747 -22.0747 -21.5866 -21.5866 -21.5419 -21.5419 -16.7450 -16.7450 -16.5753 -16.5753 -16.5551 -16.5551 -5.2390 -5.2390 -5.1205 -5.1205 2.2237 2.2237 2.9575 2.9575 3.8727 3.8727 4.2808 4.2808 4.3484 4.3484 4.8894 4.8894 7.8718 7.8718 9.3832 9.3832 9.5239 9.5239 10.4943 10.4943 k = 0.6113-0.7692-0.4675 ( 5010 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0747 -22.0747 -21.5866 -21.5866 -21.5419 -21.5419 -16.7450 -16.7450 -16.5753 -16.5753 -16.5551 -16.5551 -5.2387 -5.2387 -5.1210 -5.1210 2.2120 2.2120 2.9488 2.9488 3.8972 3.8972 4.2834 4.2834 4.3614 4.3614 4.8862 4.8862 7.8587 7.8587 9.3833 9.3833 9.5234 9.5234 10.5000 10.5000 k = 0.6298-0.7609-0.4625 ( 5001 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0747 -22.0747 -21.5866 -21.5866 -21.5419 -21.5419 -16.7450 -16.7450 -16.5753 -16.5753 -16.5551 -16.5551 -5.2384 -5.2384 -5.1216 -5.1216 2.1989 2.1989 2.9391 2.9391 3.9246 3.9246 4.2864 4.2864 4.3762 4.3762 4.8825 4.8825 7.8438 7.8438 9.3835 9.3835 9.5229 9.5229 10.5065 10.5065 k = 0.6484-0.7526-0.4574 ( 5009 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0747 -22.0747 -21.5866 -21.5866 -21.5419 -21.5419 -16.7450 -16.7450 -16.5753 -16.5753 -16.5551 -16.5551 -5.2380 -5.2380 -5.1223 -5.1223 2.1848 2.1848 2.9289 2.9289 3.9543 3.9543 4.2897 4.2897 4.3927 4.3927 4.8784 4.8784 7.8271 7.8271 9.3837 9.3837 9.5223 9.5223 10.5137 10.5137 k = 0.6669-0.7443-0.4524 ( 5007 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0747 -22.0747 -21.5866 -21.5866 -21.5419 -21.5419 -16.7450 -16.7450 -16.5753 -16.5753 -16.5551 -16.5551 -5.2375 -5.2375 -5.1231 -5.1231 2.1701 2.1701 2.9183 2.9183 3.9855 3.9855 4.2935 4.2935 4.4105 4.4105 4.8739 4.8739 7.8089 7.8089 9.3838 9.3838 9.5216 9.5216 10.5216 10.5216 k = 0.6855-0.7361-0.4474 ( 5009 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0747 -22.0747 -21.5865 -21.5865 -21.5419 -21.5419 -16.7450 -16.7450 -16.5753 -16.5753 -16.5551 -16.5551 -5.2370 -5.2370 -5.1240 -5.1240 2.1549 2.1549 2.9076 2.9076 4.0179 4.0179 4.2975 4.2975 4.4295 4.4295 4.8691 4.8691 7.7896 7.7896 9.3840 9.3840 9.5208 9.5208 10.5300 10.5300 k = 0.7040-0.7278-0.4424 ( 5006 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0747 -22.0747 -21.5865 -21.5865 -21.5419 -21.5419 -16.7450 -16.7450 -16.5752 -16.5752 -16.5551 -16.5551 -5.2364 -5.2364 -5.1250 -5.1250 2.1398 2.1398 2.8969 2.8969 4.0507 4.0507 4.3017 4.3017 4.4493 4.4493 4.8642 4.8642 7.7694 7.7694 9.3841 9.3841 9.5200 9.5200 10.5389 10.5389 k = 0.7226-0.7195-0.4373 ( 5007 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0746 -22.0746 -21.5865 -21.5865 -21.5419 -21.5419 -16.7450 -16.7450 -16.5752 -16.5752 -16.5551 -16.5551 -5.2357 -5.2357 -5.1261 -5.1261 2.1248 2.1248 2.8864 2.8864 4.0834 4.0834 4.3062 4.3062 4.4696 4.4696 4.8591 4.8591 7.7486 7.7486 9.3841 9.3841 9.5190 9.5190 10.5480 10.5480 k = 0.7411-0.7113-0.4323 ( 5010 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0746 -22.0746 -21.5864 -21.5864 -21.5419 -21.5419 -16.7450 -16.7450 -16.5752 -16.5752 -16.5551 -16.5551 -5.2351 -5.2351 -5.1274 -5.1274 2.1104 2.1104 2.8762 2.8762 4.1154 4.1154 4.3108 4.3108 4.4900 4.4900 4.8540 4.8540 7.7277 7.7277 9.3841 9.3841 9.5180 9.5180 10.5572 10.5572 k = 0.7596-0.7030-0.4273 ( 5020 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0746 -22.0746 -21.5864 -21.5864 -21.5419 -21.5419 -16.7450 -16.7450 -16.5752 -16.5752 -16.5552 -16.5552 -5.2344 -5.2344 -5.1287 -5.1287 2.0967 2.0967 2.8666 2.8666 4.1464 4.1464 4.3155 4.3155 4.5103 4.5103 4.8489 4.8489 7.7071 7.7071 9.3840 9.3840 9.5170 9.5170 10.5663 10.5663 k = 0.7782-0.6947-0.4223 ( 5024 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0746 -22.0746 -21.5864 -21.5864 -21.5419 -21.5419 -16.7450 -16.7450 -16.5752 -16.5752 -16.5552 -16.5552 -5.2337 -5.2337 -5.1302 -5.1302 2.0840 2.0840 2.8575 2.8575 4.1757 4.1757 4.3202 4.3202 4.5300 4.5300 4.8441 4.8441 7.6871 7.6871 9.3838 9.3838 9.5159 9.5159 10.5753 10.5753 k = 0.7967-0.6864-0.4172 ( 5022 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0746 -22.0746 -21.5863 -21.5863 -21.5419 -21.5419 -16.7450 -16.7450 -16.5752 -16.5752 -16.5552 -16.5552 -5.2330 -5.2330 -5.1317 -5.1317 2.0724 2.0724 2.8491 2.8491 4.2030 4.2030 4.3249 4.3249 4.5488 4.5488 4.8395 4.8395 7.6681 7.6681 9.3836 9.3836 9.5148 9.5148 10.5839 10.5839 k = 0.8153-0.6782-0.4122 ( 5025 PWs) bands (ev): -44.6860 -44.6860 -43.1140 -43.1140 -22.0745 -22.0745 -21.5863 -21.5863 -21.5419 -21.5419 -16.7450 -16.7450 -16.5752 -16.5752 -16.5552 -16.5552 -5.2323 -5.2323 -5.1333 -5.1333 2.0621 2.0621 2.8415 2.8415 4.2278 4.2278 4.3296 4.3296 4.5664 4.5664 4.8352 4.8352 7.6506 7.6506 9.3833 9.3833 9.5137 9.5137 10.5920 10.5920 Writing output data file NaScS2.save init_run : 0.45s CPU 0.63s WALL ( 1 calls) electrons : 189.27s CPU 191.18s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 189.26s CPU 191.17s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.07s WALL ( 324 calls) cegterg : 170.89s CPU 172.34s WALL ( 358 calls) Called by sum_band: Called by *egterg: h_psi : 137.70s CPU 138.80s WALL ( 6337 calls) s_psi : 3.21s CPU 3.16s WALL ( 6337 calls) g_psi : 0.17s CPU 0.20s WALL ( 5655 calls) cdiaghg : 33.37s CPU 33.85s WALL ( 5979 calls) cegterg:over : 4.19s CPU 4.21s WALL ( 5655 calls) cegterg:upda : 4.23s CPU 4.33s WALL ( 5655 calls) cegterg:last : 1.84s CPU 1.81s WALL ( 1006 calls) cdiaghg:chol : 2.09s CPU 1.96s WALL ( 5979 calls) cdiaghg:inve : 1.10s CPU 1.12s WALL ( 5979 calls) cdiaghg:para : 1.80s CPU 1.90s WALL ( 11958 calls) Called by h_psi: h_psi:vloc : 130.34s CPU 131.35s WALL ( 6337 calls) h_psi:vnl : 7.20s CPU 7.26s WALL ( 6337 calls) add_vuspsi : 3.70s CPU 3.70s WALL ( 6337 calls) General routines calbec : 3.48s CPU 3.54s WALL ( 6337 calls) fft : 0.03s CPU 0.03s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 119.04s CPU 120.14s WALL ( 554240 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.17s CPU 0.21s WALL ( 648 calls) Parallel routines fft_scatter : 30.72s CPU 30.96s WALL ( 554263 calls) PWSCF : 3m24.47s CPU 3m50.89s WALL This run was terminated on: 21: 7:40 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=