Program PWSCF v.5.1.1 starts on 11Oct2015 at 15: 9:46 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaTiO3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 54 19 6 2104 450 76 Max 55 20 7 2109 466 80 Sum 2617 949 293 101061 21975 3731 bravais-lattice index = 14 lattice parameter (alat) = 7.5662 a.u. unit-cell volume = 433.1367 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 52.0000 Ry charge density cutoff = 576.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.566179 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.002740 celldm(5)= 0.002740 celldm(6)= 0.002740 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.002740 0.999996 0.000000 ) a(3) = ( 0.002740 0.002733 0.999993 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.002740 -0.002733 ) b(2) = ( 0.000000 1.000004 -0.002733 ) b(3) = ( 0.000000 0.000000 1.000007 ) PseudoPot. # 1 for Ba read from file: /home/autes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ti read from file: /home/autes/Pseudo/Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ed6a930860ac2325f16e0d84c006faf2 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1177 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 Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Ti 12.00 47.86700 Ti( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 328 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0125000 -0.0000343 -0.0000342), wk = 0.0030488 k( 3) = ( 0.0250000 -0.0000685 -0.0000683), wk = 0.0030488 k( 4) = ( 0.0375000 -0.0001028 -0.0001025), wk = 0.0030488 k( 5) = ( 0.0500000 -0.0001370 -0.0001366), wk = 0.0030488 k( 6) = ( 0.0625000 -0.0001713 -0.0001708), wk = 0.0030488 k( 7) = ( 0.0750000 -0.0002055 -0.0002050), wk = 0.0030488 k( 8) = ( 0.0875000 -0.0002398 -0.0002391), wk = 0.0030488 k( 9) = ( 0.1000000 -0.0002740 -0.0002733), wk = 0.0030488 k( 10) = ( 0.1125000 -0.0003083 -0.0003074), wk = 0.0030488 k( 11) = ( 0.1250000 -0.0003425 -0.0003416), wk = 0.0030488 k( 12) = ( 0.1375000 -0.0003768 -0.0003757), wk = 0.0030488 k( 13) = ( 0.1500000 -0.0004110 -0.0004099), wk = 0.0030488 k( 14) = ( 0.1625000 -0.0004453 -0.0004441), wk = 0.0030488 k( 15) = ( 0.1750000 -0.0004795 -0.0004782), wk = 0.0030488 k( 16) = ( 0.1875000 -0.0005138 -0.0005124), wk = 0.0030488 k( 17) = ( 0.2000000 -0.0005480 -0.0005465), wk = 0.0030488 k( 18) = ( 0.2125000 -0.0005823 -0.0005807), wk = 0.0030488 k( 19) = ( 0.2250000 -0.0006165 -0.0006149), wk = 0.0030488 k( 20) = ( 0.2375000 -0.0006508 -0.0006490), wk = 0.0030488 k( 21) = ( 0.2500000 -0.0006850 -0.0006832), wk = 0.0030488 k( 22) = ( 0.2625000 -0.0007193 -0.0007173), wk = 0.0030488 k( 23) = ( 0.2750000 -0.0007535 -0.0007515), wk = 0.0030488 k( 24) = ( 0.2875000 -0.0007878 -0.0007857), wk = 0.0030488 k( 25) = ( 0.3000000 -0.0008221 -0.0008198), wk = 0.0030488 k( 26) = ( 0.3125000 -0.0008563 -0.0008540), wk = 0.0030488 k( 27) = ( 0.3250000 -0.0008906 -0.0008881), wk = 0.0030488 k( 28) = ( 0.3375000 -0.0009248 -0.0009223), wk = 0.0030488 k( 29) = ( 0.3500000 -0.0009591 -0.0009564), wk = 0.0030488 k( 30) = ( 0.3625000 -0.0009933 -0.0009906), wk = 0.0030488 k( 31) = ( 0.3750000 -0.0010276 -0.0010248), wk = 0.0030488 k( 32) = ( 0.3875000 -0.0010618 -0.0010589), wk = 0.0030488 k( 33) = ( 0.4000000 -0.0010961 -0.0010931), wk = 0.0030488 k( 34) = ( 0.4125000 -0.0011303 -0.0011272), wk = 0.0030488 k( 35) = ( 0.4250000 -0.0011646 -0.0011614), wk = 0.0030488 k( 36) = ( 0.4375000 -0.0011988 -0.0011956), wk = 0.0030488 k( 37) = ( 0.4500000 -0.0012331 -0.0012297), wk = 0.0030488 k( 38) = ( 0.4625000 -0.0012673 -0.0012639), wk = 0.0030488 k( 39) = ( 0.4750000 -0.0013016 -0.0012980), wk = 0.0030488 k( 40) = ( 0.4875000 -0.0013358 -0.0013322), wk = 0.0030488 k( 41) = ( 0.5000000 -0.0013701 -0.0013663), wk = 0.0030488 k( 42) = ( 0.5000000 -0.0013701 -0.0013663), wk = 0.0030488 k( 43) = ( 0.5000000 0.0075099 -0.0102706), wk = 0.0030488 k( 44) = ( 0.5000000 0.0163898 -0.0191748), wk = 0.0030488 k( 45) = ( 0.5000000 0.0252697 -0.0280791), wk = 0.0030488 k( 46) = ( 0.5000000 0.0341497 -0.0369833), wk = 0.0030488 k( 47) = ( 0.5000000 0.0430296 -0.0458875), wk = 0.0030488 k( 48) = ( 0.5000000 0.0519096 -0.0547918), wk = 0.0030488 k( 49) = ( 0.5000000 0.0607895 -0.0636960), wk = 0.0030488 k( 50) = ( 0.5000000 0.0696694 -0.0726003), wk = 0.0030488 k( 51) = ( 0.5000000 0.0785494 -0.0815045), wk = 0.0030488 k( 52) = ( 0.5000000 0.0874293 -0.0904087), wk = 0.0030488 k( 53) = ( 0.5000000 0.0963092 -0.0993130), wk = 0.0030488 k( 54) = ( 0.5000000 0.1051892 -0.1082172), wk = 0.0030488 k( 55) = ( 0.5000000 0.1140691 -0.1171215), wk = 0.0030488 k( 56) = ( 0.5000000 0.1229491 -0.1260257), wk = 0.0030488 k( 57) = ( 0.5000000 0.1318290 -0.1349299), wk = 0.0030488 k( 58) = ( 0.5000000 0.1407090 -0.1438342), wk = 0.0030488 k( 59) = ( 0.5000000 0.1495889 -0.1527384), wk = 0.0030488 k( 60) = ( 0.5000000 0.1584688 -0.1616427), wk = 0.0030488 k( 61) = ( 0.5000000 0.1673488 -0.1705469), wk = 0.0030488 k( 62) = ( 0.5000000 0.1762287 -0.1794511), wk = 0.0030488 k( 63) = ( 0.5000000 0.1851087 -0.1883554), wk = 0.0030488 k( 64) = ( 0.5000000 0.1939886 -0.1972596), wk = 0.0030488 k( 65) = ( 0.5000000 0.2028685 -0.2061638), wk = 0.0030488 k( 66) = ( 0.5000000 0.2117485 -0.2150681), wk = 0.0030488 k( 67) = ( 0.5000000 0.2206284 -0.2239723), wk = 0.0030488 k( 68) = ( 0.5000000 0.2295083 -0.2328766), wk = 0.0030488 k( 69) = ( 0.5000000 0.2383883 -0.2417808), wk = 0.0030488 k( 70) = ( 0.5000000 0.2472682 -0.2506851), wk = 0.0030488 k( 71) = ( 0.5000000 0.2561482 -0.2595893), wk = 0.0030488 k( 72) = ( 0.5000000 0.2650281 -0.2684935), wk = 0.0030488 k( 73) = ( 0.5000000 0.2739081 -0.2773978), wk = 0.0030488 k( 74) = ( 0.5000000 0.2827880 -0.2863020), wk = 0.0030488 k( 75) = ( 0.5000000 0.2916679 -0.2952062), wk = 0.0030488 k( 76) = ( 0.5000000 0.3005479 -0.3041105), wk = 0.0030488 k( 77) = ( 0.5000000 0.3094278 -0.3130147), wk = 0.0030488 k( 78) = ( 0.5000000 0.3183078 -0.3219190), wk = 0.0030488 k( 79) = ( 0.5000000 0.3271877 -0.3308232), wk = 0.0030488 k( 80) = ( 0.5000000 0.3360676 -0.3397274), wk = 0.0030488 k( 81) = ( 0.5000000 0.3449476 -0.3486317), wk = 0.0030488 k( 82) = ( 0.5000000 0.3538275 -0.3575359), wk = 0.0030488 k( 83) = ( 0.5000000 0.3627074 -0.3664402), wk = 0.0030488 k( 84) = ( 0.5000000 0.3715874 -0.3753444), wk = 0.0030488 k( 85) = ( 0.5000000 0.3804673 -0.3842486), wk = 0.0030488 k( 86) = ( 0.5000000 0.3893473 -0.3931529), wk = 0.0030488 k( 87) = ( 0.5000000 0.3982272 -0.4020571), wk = 0.0030488 k( 88) = ( 0.5000000 0.4071072 -0.4109614), wk = 0.0030488 k( 89) = ( 0.5000000 0.4159871 -0.4198656), wk = 0.0030488 k( 90) = ( 0.5000000 0.4248670 -0.4287698), wk = 0.0030488 k( 91) = ( 0.5000000 0.4337470 -0.4376741), wk = 0.0030488 k( 92) = ( 0.5000000 0.4426269 -0.4465783), wk = 0.0030488 k( 93) = ( 0.5000000 0.4515069 -0.4554825), wk = 0.0030488 k( 94) = ( 0.5000000 0.4603868 -0.4643868), wk = 0.0030488 k( 95) = ( 0.5000000 0.4692667 -0.4732910), wk = 0.0030488 k( 96) = ( 0.5000000 0.4781467 -0.4821953), wk = 0.0030488 k( 97) = ( 0.5000000 0.4870266 -0.4910995), wk = 0.0030488 k( 98) = ( 0.5000000 0.4959066 -0.5000037), wk = 0.0030488 k( 99) = ( 0.5027252 0.4986243 0.4945384), wk = 0.0030488 k( 100) = ( 0.5000000 0.4986318 0.4972710), wk = 0.0030488 k( 101) = ( 0.5000000 0.4986318 0.4972710), wk = 0.0030488 k( 102) = ( 0.4926471 0.4912990 0.4899582), wk = 0.0030488 k( 103) = ( 0.4852941 0.4839662 0.4826454), wk = 0.0030488 k( 104) = ( 0.4779412 0.4766333 0.4753326), wk = 0.0030488 k( 105) = ( 0.4705882 0.4693005 0.4680198), wk = 0.0030488 k( 106) = ( 0.4632353 0.4619677 0.4607070), wk = 0.0030488 k( 107) = ( 0.4558823 0.4546349 0.4533942), wk = 0.0030488 k( 108) = ( 0.4485294 0.4473020 0.4460814), wk = 0.0030488 k( 109) = ( 0.4411765 0.4399692 0.4387686), wk = 0.0030488 k( 110) = ( 0.4338235 0.4326364 0.4314558), wk = 0.0030488 k( 111) = ( 0.4264706 0.4253036 0.4241430), wk = 0.0030488 k( 112) = ( 0.4191177 0.4179708 0.4168301), wk = 0.0030488 k( 113) = ( 0.4117647 0.4106379 0.4095173), wk = 0.0030488 k( 114) = ( 0.4044118 0.4033051 0.4022045), wk = 0.0030488 k( 115) = ( 0.3970588 0.3959723 0.3948917), wk = 0.0030488 k( 116) = ( 0.3897059 0.3886395 0.3875789), wk = 0.0030488 k( 117) = ( 0.3823529 0.3813067 0.3802661), wk = 0.0030488 k( 118) = ( 0.3750000 0.3739738 0.3729533), wk = 0.0030488 k( 119) = ( 0.3676471 0.3666410 0.3656405), wk = 0.0030488 k( 120) = ( 0.3602941 0.3593082 0.3583277), wk = 0.0030488 k( 121) = ( 0.3529412 0.3519754 0.3510149), wk = 0.0030488 k( 122) = ( 0.3455882 0.3446426 0.3437021), wk = 0.0030488 k( 123) = ( 0.3382353 0.3373097 0.3363892), wk = 0.0030488 k( 124) = ( 0.3308823 0.3299769 0.3290764), wk = 0.0030488 k( 125) = ( 0.3235294 0.3226441 0.3217636), wk = 0.0030488 k( 126) = ( 0.3161765 0.3153113 0.3144508), wk = 0.0030488 k( 127) = ( 0.3088235 0.3079785 0.3071380), wk = 0.0030488 k( 128) = ( 0.3014706 0.3006456 0.2998252), wk = 0.0030488 k( 129) = ( 0.2941177 0.2933128 0.2925124), wk = 0.0030488 k( 130) = ( 0.2867647 0.2859800 0.2851996), wk = 0.0030488 k( 131) = ( 0.2794118 0.2786472 0.2778868), wk = 0.0030488 k( 132) = ( 0.2720588 0.2713144 0.2705739), wk = 0.0030488 k( 133) = ( 0.2647059 0.2639815 0.2632611), wk = 0.0030488 k( 134) = ( 0.2573529 0.2566487 0.2559483), wk = 0.0030488 k( 135) = ( 0.2500000 0.2493159 0.2486355), wk = 0.0030488 k( 136) = ( 0.2426471 0.2419831 0.2413227), wk = 0.0030488 k( 137) = ( 0.2352941 0.2346503 0.2340099), wk = 0.0030488 k( 138) = ( 0.2279412 0.2273174 0.2266971), wk = 0.0030488 k( 139) = ( 0.2205882 0.2199846 0.2193843), wk = 0.0030488 k( 140) = ( 0.2132353 0.2126518 0.2120715), wk = 0.0030488 k( 141) = ( 0.2058823 0.2053190 0.2047587), wk = 0.0030488 k( 142) = ( 0.1985294 0.1979862 0.1974459), wk = 0.0030488 k( 143) = ( 0.1911765 0.1906533 0.1901330), wk = 0.0030488 k( 144) = ( 0.1838235 0.1833205 0.1828202), wk = 0.0030488 k( 145) = ( 0.1764706 0.1759877 0.1755074), wk = 0.0030488 k( 146) = ( 0.1691177 0.1686549 0.1681946), wk = 0.0030488 k( 147) = ( 0.1617647 0.1613221 0.1608818), wk = 0.0030488 k( 148) = ( 0.1544118 0.1539892 0.1535690), wk = 0.0030488 k( 149) = ( 0.1470588 0.1466564 0.1462562), wk = 0.0030488 k( 150) = ( 0.1397059 0.1393236 0.1389434), wk = 0.0030488 k( 151) = ( 0.1323529 0.1319908 0.1316306), wk = 0.0030488 k( 152) = ( 0.1250000 0.1246579 0.1243178), wk = 0.0030488 k( 153) = ( 0.1176471 0.1173251 0.1170050), wk = 0.0030488 k( 154) = ( 0.1102941 0.1099923 0.1096921), wk = 0.0030488 k( 155) = ( 0.1029412 0.1026595 0.1023793), wk = 0.0030488 k( 156) = ( 0.0955882 0.0953267 0.0950665), wk = 0.0030488 k( 157) = ( 0.0882353 0.0879938 0.0877537), wk = 0.0030488 k( 158) = ( 0.0808824 0.0806610 0.0804409), wk = 0.0030488 k( 159) = ( 0.0735294 0.0733282 0.0731281), wk = 0.0030488 k( 160) = ( 0.0661765 0.0659954 0.0658153), wk = 0.0030488 k( 161) = ( 0.0588235 0.0586626 0.0585025), wk = 0.0030488 k( 162) = ( 0.0514706 0.0513297 0.0511897), wk = 0.0030488 k( 163) = ( 0.0441177 0.0439969 0.0438769), wk = 0.0030488 k( 164) = ( 0.0367647 0.0366641 0.0365641), wk = 0.0030488 k( 165) = ( 0.0294118 0.0293313 0.0292512), wk = 0.0030488 k( 166) = ( 0.0220588 0.0219985 0.0219384), wk = 0.0030488 k( 167) = ( 0.0147059 0.0146656 0.0146256), wk = 0.0030488 k( 168) = ( 0.0073529 0.0073328 0.0073128), wk = 0.0030488 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 171) = ( 0.0089042 -0.0000244 -0.0089286), wk = 0.0030488 k( 172) = ( 0.0178085 -0.0000488 -0.0178573), wk = 0.0030488 k( 173) = ( 0.0267127 -0.0000732 -0.0267859), wk = 0.0030488 k( 174) = ( 0.0356170 -0.0000976 -0.0357146), wk = 0.0030488 k( 175) = ( 0.0445212 -0.0001220 -0.0446432), wk = 0.0030488 k( 176) = ( 0.0534254 -0.0001464 -0.0535718), wk = 0.0030488 k( 177) = ( 0.0623297 -0.0001708 -0.0625005), wk = 0.0030488 k( 178) = ( 0.0712339 -0.0001952 -0.0714291), wk = 0.0030488 k( 179) = ( 0.0801382 -0.0002196 -0.0803577), wk = 0.0030488 k( 180) = ( 0.0890424 -0.0002440 -0.0892864), wk = 0.0030488 k( 181) = ( 0.0979466 -0.0002684 -0.0982150), wk = 0.0030488 k( 182) = ( 0.1068509 -0.0002928 -0.1071437), wk = 0.0030488 k( 183) = ( 0.1157551 -0.0003172 -0.1160723), wk = 0.0030488 k( 184) = ( 0.1246594 -0.0003416 -0.1250009), wk = 0.0030488 k( 185) = ( 0.1335636 -0.0003660 -0.1339296), wk = 0.0030488 k( 186) = ( 0.1424678 -0.0003904 -0.1428582), wk = 0.0030488 k( 187) = ( 0.1513721 -0.0004148 -0.1517868), wk = 0.0030488 k( 188) = ( 0.1602763 -0.0004392 -0.1607155), wk = 0.0030488 k( 189) = ( 0.1691805 -0.0004636 -0.1696441), wk = 0.0030488 k( 190) = ( 0.1780848 -0.0004880 -0.1785728), wk = 0.0030488 k( 191) = ( 0.1869890 -0.0005124 -0.1875014), wk = 0.0030488 k( 192) = ( 0.1958933 -0.0005368 -0.1964300), wk = 0.0030488 k( 193) = ( 0.2047975 -0.0005612 -0.2053587), wk = 0.0030488 k( 194) = ( 0.2137017 -0.0005856 -0.2142873), wk = 0.0030488 k( 195) = ( 0.2226060 -0.0006100 -0.2232160), wk = 0.0030488 k( 196) = ( 0.2315102 -0.0006344 -0.2321446), wk = 0.0030488 k( 197) = ( 0.2404145 -0.0006588 -0.2410732), wk = 0.0030488 k( 198) = ( 0.2493187 -0.0006832 -0.2500019), wk = 0.0030488 k( 199) = ( 0.2582229 -0.0007076 -0.2589305), wk = 0.0030488 k( 200) = ( 0.2671272 -0.0007320 -0.2678591), wk = 0.0030488 k( 201) = ( 0.2760314 -0.0007564 -0.2767878), wk = 0.0030488 k( 202) = ( 0.2849356 -0.0007808 -0.2857164), wk = 0.0030488 k( 203) = ( 0.2938399 -0.0008052 -0.2946451), wk = 0.0030488 k( 204) = ( 0.3027441 -0.0008296 -0.3035737), wk = 0.0030488 k( 205) = ( 0.3116484 -0.0008540 -0.3125023), wk = 0.0030488 k( 206) = ( 0.3205526 -0.0008784 -0.3214310), wk = 0.0030488 k( 207) = ( 0.3294568 -0.0009028 -0.3303596), wk = 0.0030488 k( 208) = ( 0.3383611 -0.0009272 -0.3392883), wk = 0.0030488 k( 209) = ( 0.3472653 -0.0009516 -0.3482169), wk = 0.0030488 k( 210) = ( 0.3561696 -0.0009760 -0.3571455), wk = 0.0030488 k( 211) = ( 0.3650738 -0.0010004 -0.3660742), wk = 0.0030488 k( 212) = ( 0.3739780 -0.0010248 -0.3750028), wk = 0.0030488 k( 213) = ( 0.3828823 -0.0010492 -0.3839314), wk = 0.0030488 k( 214) = ( 0.3917865 -0.0010736 -0.3928601), wk = 0.0030488 k( 215) = ( 0.4006908 -0.0010980 -0.4017887), wk = 0.0030488 k( 216) = ( 0.4095950 -0.0011224 -0.4107174), wk = 0.0030488 k( 217) = ( 0.4184992 -0.0011468 -0.4196460), wk = 0.0030488 k( 218) = ( 0.4274035 -0.0011712 -0.4285746), wk = 0.0030488 k( 219) = ( 0.4363077 -0.0011956 -0.4375033), wk = 0.0030488 k( 220) = ( 0.4452120 -0.0012200 -0.4464319), wk = 0.0030488 k( 221) = ( 0.4541162 -0.0012444 -0.4553606), wk = 0.0030488 k( 222) = ( 0.4630204 -0.0012688 -0.4642892), wk = 0.0030488 k( 223) = ( 0.4719247 -0.0012932 -0.4732178), wk = 0.0030488 k( 224) = ( 0.4808289 -0.0013176 -0.4821465), wk = 0.0030488 k( 225) = ( 0.4897332 -0.0013420 -0.4910751), wk = 0.0030488 k( 226) = ( 0.4986374 -0.0013664 -0.5000037), wk = 0.0030488 k( 227) = ( 0.5013626 0.4972654 -0.0027327), wk = 0.0030488 k( 228) = ( 0.5000000 0.4986318 -0.0027327), wk = 0.0030488 k( 229) = ( 0.5000000 0.4986318 -0.0027327), wk = 0.0030488 k( 230) = ( 0.5000341 0.4986658 0.0096991), wk = 0.0030488 k( 231) = ( 0.5000681 0.4986997 0.0221309), wk = 0.0030488 k( 232) = ( 0.5001022 0.4987337 0.0345626), wk = 0.0030488 k( 233) = ( 0.5001363 0.4987677 0.0469944), wk = 0.0030488 k( 234) = ( 0.5001703 0.4988017 0.0594262), wk = 0.0030488 k( 235) = ( 0.5002044 0.4988356 0.0718580), wk = 0.0030488 k( 236) = ( 0.5002385 0.4988696 0.0842897), wk = 0.0030488 k( 237) = ( 0.5002725 0.4989036 0.0967215), wk = 0.0030488 k( 238) = ( 0.5003066 0.4989375 0.1091533), wk = 0.0030488 k( 239) = ( 0.5003407 0.4989715 0.1215851), wk = 0.0030488 k( 240) = ( 0.5003747 0.4990055 0.1340168), wk = 0.0030488 k( 241) = ( 0.5004088 0.4990395 0.1464486), wk = 0.0030488 k( 242) = ( 0.5004428 0.4990734 0.1588804), wk = 0.0030488 k( 243) = ( 0.5004769 0.4991074 0.1713122), wk = 0.0030488 k( 244) = ( 0.5005110 0.4991414 0.1837439), wk = 0.0030488 k( 245) = ( 0.5005451 0.4991753 0.1961757), wk = 0.0030488 k( 246) = ( 0.5005791 0.4992093 0.2086075), wk = 0.0030488 k( 247) = ( 0.5006132 0.4992433 0.2210393), wk = 0.0030488 k( 248) = ( 0.5006472 0.4992773 0.2334711), wk = 0.0030488 k( 249) = ( 0.5006813 0.4993112 0.2459028), wk = 0.0030488 k( 250) = ( 0.5007154 0.4993452 0.2583346), wk = 0.0030488 k( 251) = ( 0.5007494 0.4993792 0.2707664), wk = 0.0030488 k( 252) = ( 0.5007835 0.4994131 0.2831982), wk = 0.0030488 k( 253) = ( 0.5008176 0.4994471 0.2956299), wk = 0.0030488 k( 254) = ( 0.5008516 0.4994811 0.3080617), wk = 0.0030488 k( 255) = ( 0.5008857 0.4995151 0.3204935), wk = 0.0030488 k( 256) = ( 0.5009198 0.4995490 0.3329253), wk = 0.0030488 k( 257) = ( 0.5009538 0.4995830 0.3453570), wk = 0.0030488 k( 258) = ( 0.5009879 0.4996170 0.3577888), wk = 0.0030488 k( 259) = ( 0.5010220 0.4996510 0.3702206), wk = 0.0030488 k( 260) = ( 0.5010560 0.4996849 0.3826524), wk = 0.0030488 k( 261) = ( 0.5010901 0.4997189 0.3950841), wk = 0.0030488 k( 262) = ( 0.5011242 0.4997529 0.4075159), wk = 0.0030488 k( 263) = ( 0.5011582 0.4997868 0.4199477), wk = 0.0030488 k( 264) = ( 0.5011923 0.4998208 0.4323795), wk = 0.0030488 k( 265) = ( 0.5012264 0.4998548 0.4448112), wk = 0.0030488 k( 266) = ( 0.5012604 0.4998888 0.4572430), wk = 0.0030488 k( 267) = ( 0.5012945 0.4999227 0.4696748), wk = 0.0030488 k( 268) = ( 0.5013285 0.4999567 0.4821066), wk = 0.0030488 k( 269) = ( 0.5013626 0.4999907 0.4945384), wk = 0.0030488 k( 270) = ( 0.5013626 0.4999907 0.4945384), wk = 0.0030488 k( 271) = ( 0.5000000 0.4986318 0.4972710), wk = 0.0030488 k( 272) = ( 0.5000000 -0.0013701 -0.0013663), wk = 0.0030488 k( 273) = ( 0.5000487 0.0075341 0.0075135), wk = 0.0030488 k( 274) = ( 0.5000973 0.0164382 0.0163933), wk = 0.0030488 k( 275) = ( 0.5001460 0.0253423 0.0252732), wk = 0.0030488 k( 276) = ( 0.5001947 0.0342465 0.0341530), wk = 0.0030488 k( 277) = ( 0.5002433 0.0431506 0.0430329), wk = 0.0030488 k( 278) = ( 0.5002920 0.0520547 0.0519127), wk = 0.0030488 k( 279) = ( 0.5003407 0.0609589 0.0607925), wk = 0.0030488 k( 280) = ( 0.5003893 0.0698630 0.0696724), wk = 0.0030488 k( 281) = ( 0.5004380 0.0787672 0.0785522), wk = 0.0030488 k( 282) = ( 0.5004867 0.0876713 0.0874321), wk = 0.0030488 k( 283) = ( 0.5005353 0.0965754 0.0963119), wk = 0.0030488 k( 284) = ( 0.5005840 0.1054796 0.1051917), wk = 0.0030488 k( 285) = ( 0.5006326 0.1143837 0.1140716), wk = 0.0030488 k( 286) = ( 0.5006813 0.1232879 0.1229514), wk = 0.0030488 k( 287) = ( 0.5007300 0.1321920 0.1318313), wk = 0.0030488 k( 288) = ( 0.5007786 0.1410961 0.1407111), wk = 0.0030488 k( 289) = ( 0.5008273 0.1500003 0.1495909), wk = 0.0030488 k( 290) = ( 0.5008760 0.1589044 0.1584708), wk = 0.0030488 k( 291) = ( 0.5009246 0.1678086 0.1673506), wk = 0.0030488 k( 292) = ( 0.5009733 0.1767127 0.1762305), wk = 0.0030488 k( 293) = ( 0.5010220 0.1856168 0.1851103), wk = 0.0030488 k( 294) = ( 0.5010706 0.1945210 0.1939901), wk = 0.0030488 k( 295) = ( 0.5011193 0.2034251 0.2028700), wk = 0.0030488 k( 296) = ( 0.5011680 0.2123293 0.2117498), wk = 0.0030488 k( 297) = ( 0.5012166 0.2212334 0.2206297), wk = 0.0030488 k( 298) = ( 0.5012653 0.2301375 0.2295095), wk = 0.0030488 k( 299) = ( 0.5013140 0.2390417 0.2383893), wk = 0.0030488 k( 300) = ( 0.5013626 0.2479458 0.2472692), wk = 0.0030488 k( 301) = ( 0.5014113 0.2568499 0.2561490), wk = 0.0030488 k( 302) = ( 0.5014599 0.2657541 0.2650289), wk = 0.0030488 k( 303) = ( 0.5015086 0.2746582 0.2739087), wk = 0.0030488 k( 304) = ( 0.5015573 0.2835624 0.2827885), wk = 0.0030488 k( 305) = ( 0.5016059 0.2924665 0.2916684), wk = 0.0030488 k( 306) = ( 0.5016546 0.3013706 0.3005482), wk = 0.0030488 k( 307) = ( 0.5017033 0.3102748 0.3094281), wk = 0.0030488 k( 308) = ( 0.5017519 0.3191789 0.3183079), wk = 0.0030488 k( 309) = ( 0.5018006 0.3280831 0.3271877), wk = 0.0030488 k( 310) = ( 0.5018493 0.3369872 0.3360676), wk = 0.0030488 k( 311) = ( 0.5018979 0.3458913 0.3449474), wk = 0.0030488 k( 312) = ( 0.5019466 0.3547955 0.3538273), wk = 0.0030488 k( 313) = ( 0.5019953 0.3636996 0.3627071), wk = 0.0030488 k( 314) = ( 0.5020439 0.3726038 0.3715869), wk = 0.0030488 k( 315) = ( 0.5020926 0.3815079 0.3804668), wk = 0.0030488 k( 316) = ( 0.5021412 0.3904120 0.3893466), wk = 0.0030488 k( 317) = ( 0.5021899 0.3993162 0.3982265), wk = 0.0030488 k( 318) = ( 0.5022386 0.4082203 0.4071063), wk = 0.0030488 k( 319) = ( 0.5022872 0.4171244 0.4159861), wk = 0.0030488 k( 320) = ( 0.5023359 0.4260286 0.4248660), wk = 0.0030488 k( 321) = ( 0.5023846 0.4349327 0.4337458), wk = 0.0030488 k( 322) = ( 0.5024332 0.4438369 0.4426257), wk = 0.0030488 k( 323) = ( 0.5024819 0.4527410 0.4515055), wk = 0.0030488 k( 324) = ( 0.5025306 0.4616451 0.4603853), wk = 0.0030488 k( 325) = ( 0.5025792 0.4705493 0.4692652), wk = 0.0030488 k( 326) = ( 0.5026279 0.4794534 0.4781450), wk = 0.0030488 k( 327) = ( 0.5026766 0.4883576 0.4870249), wk = 0.0030488 k( 328) = ( 0.5027252 0.4972617 0.4959047), wk = 0.0030488 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0125000 0.0000000 0.0000000), wk = 0.0030488 k( 3) = ( 0.0250000 0.0000000 0.0000000), wk = 0.0030488 k( 4) = ( 0.0375000 0.0000000 0.0000000), wk = 0.0030488 k( 5) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0030488 k( 6) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0030488 k( 7) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0030488 k( 8) = ( 0.0875000 0.0000000 0.0000000), wk = 0.0030488 k( 9) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0030488 k( 10) = ( 0.1125000 0.0000000 0.0000000), wk = 0.0030488 k( 11) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0030488 k( 12) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0030488 k( 13) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0030488 k( 14) = ( 0.1625000 0.0000000 0.0000000), wk = 0.0030488 k( 15) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0030488 k( 16) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0030488 k( 17) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0030488 k( 18) = ( 0.2125000 0.0000000 0.0000000), wk = 0.0030488 k( 19) = ( 0.2250000 0.0000000 0.0000000), wk = 0.0030488 k( 20) = ( 0.2375000 0.0000000 -0.0000000), wk = 0.0030488 k( 21) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0030488 k( 22) = ( 0.2625000 0.0000000 0.0000000), wk = 0.0030488 k( 23) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0030488 k( 24) = ( 0.2875000 0.0000000 0.0000000), wk = 0.0030488 k( 25) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0030488 k( 26) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0030488 k( 27) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0030488 k( 28) = ( 0.3375000 0.0000000 0.0000000), wk = 0.0030488 k( 29) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0030488 k( 30) = ( 0.3625000 0.0000000 0.0000000), wk = 0.0030488 k( 31) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0030488 k( 32) = ( 0.3875000 0.0000000 0.0000000), wk = 0.0030488 k( 33) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0030488 k( 34) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0030488 k( 35) = ( 0.4250000 0.0000000 0.0000000), wk = 0.0030488 k( 36) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0030488 k( 37) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0030488 k( 38) = ( 0.4625000 0.0000000 0.0000000), wk = 0.0030488 k( 39) = ( 0.4750000 0.0000000 -0.0000000), wk = 0.0030488 k( 40) = ( 0.4875000 0.0000000 0.0000000), wk = 0.0030488 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030488 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030488 k( 43) = ( 0.5000000 0.0088799 -0.0088799), wk = 0.0030488 k( 44) = ( 0.5000000 0.0177598 -0.0177598), wk = 0.0030488 k( 45) = ( 0.5000000 0.0266397 -0.0266397), wk = 0.0030488 k( 46) = ( 0.5000000 0.0355196 -0.0355196), wk = 0.0030488 k( 47) = ( 0.5000000 0.0443995 -0.0443995), wk = 0.0030488 k( 48) = ( 0.5000000 0.0532794 -0.0532794), wk = 0.0030488 k( 49) = ( 0.5000000 0.0621594 -0.0621593), wk = 0.0030488 k( 50) = ( 0.5000000 0.0710392 -0.0710392), wk = 0.0030488 k( 51) = ( 0.5000000 0.0799192 -0.0799192), wk = 0.0030488 k( 52) = ( 0.5000000 0.0887991 -0.0887991), wk = 0.0030488 k( 53) = ( 0.5000000 0.0976790 -0.0976790), wk = 0.0030488 k( 54) = ( 0.5000000 0.1065589 -0.1065589), wk = 0.0030488 k( 55) = ( 0.5000000 0.1154388 -0.1154388), wk = 0.0030488 k( 56) = ( 0.5000000 0.1243187 -0.1243187), wk = 0.0030488 k( 57) = ( 0.5000000 0.1331986 -0.1331986), wk = 0.0030488 k( 58) = ( 0.5000000 0.1420785 -0.1420785), wk = 0.0030488 k( 59) = ( 0.5000000 0.1509584 -0.1509584), wk = 0.0030488 k( 60) = ( 0.5000000 0.1598383 -0.1598383), wk = 0.0030488 k( 61) = ( 0.5000000 0.1687182 -0.1687182), wk = 0.0030488 k( 62) = ( 0.5000000 0.1775981 -0.1775981), wk = 0.0030488 k( 63) = ( 0.5000000 0.1864780 -0.1864780), wk = 0.0030488 k( 64) = ( 0.5000000 0.1953579 -0.1953580), wk = 0.0030488 k( 65) = ( 0.5000000 0.2042378 -0.2042378), wk = 0.0030488 k( 66) = ( 0.5000000 0.2131178 -0.2131178), wk = 0.0030488 k( 67) = ( 0.5000000 0.2219977 -0.2219977), wk = 0.0030488 k( 68) = ( 0.5000000 0.2308776 -0.2308776), wk = 0.0030488 k( 69) = ( 0.5000000 0.2397575 -0.2397575), wk = 0.0030488 k( 70) = ( 0.5000000 0.2486374 -0.2486374), wk = 0.0030488 k( 71) = ( 0.5000000 0.2575173 -0.2575173), wk = 0.0030488 k( 72) = ( 0.5000000 0.2663972 -0.2663972), wk = 0.0030488 k( 73) = ( 0.5000000 0.2752771 -0.2752771), wk = 0.0030488 k( 74) = ( 0.5000000 0.2841570 -0.2841570), wk = 0.0030488 k( 75) = ( 0.5000000 0.2930369 -0.2930369), wk = 0.0030488 k( 76) = ( 0.5000000 0.3019168 -0.3019168), wk = 0.0030488 k( 77) = ( 0.5000000 0.3107967 -0.3107967), wk = 0.0030488 k( 78) = ( 0.5000000 0.3196766 -0.3196766), wk = 0.0030488 k( 79) = ( 0.5000000 0.3285566 -0.3285566), wk = 0.0030488 k( 80) = ( 0.5000000 0.3374364 -0.3374364), wk = 0.0030488 k( 81) = ( 0.5000000 0.3463164 -0.3463164), wk = 0.0030488 k( 82) = ( 0.5000000 0.3551963 -0.3551963), wk = 0.0030488 k( 83) = ( 0.5000000 0.3640762 -0.3640762), wk = 0.0030488 k( 84) = ( 0.5000000 0.3729561 -0.3729561), wk = 0.0030488 k( 85) = ( 0.5000000 0.3818360 -0.3818360), wk = 0.0030488 k( 86) = ( 0.5000000 0.3907159 -0.3907159), wk = 0.0030488 k( 87) = ( 0.5000000 0.3995958 -0.3995958), wk = 0.0030488 k( 88) = ( 0.5000000 0.4084757 -0.4084757), wk = 0.0030488 k( 89) = ( 0.5000000 0.4173556 -0.4173556), wk = 0.0030488 k( 90) = ( 0.5000000 0.4262355 -0.4262355), wk = 0.0030488 k( 91) = ( 0.5000000 0.4351154 -0.4351154), wk = 0.0030488 k( 92) = ( 0.5000000 0.4439953 -0.4439953), wk = 0.0030488 k( 93) = ( 0.5000000 0.4528752 -0.4528752), wk = 0.0030488 k( 94) = ( 0.5000000 0.4617552 -0.4617552), wk = 0.0030488 k( 95) = ( 0.5000000 0.4706351 -0.4706350), wk = 0.0030488 k( 96) = ( 0.5000000 0.4795150 -0.4795150), wk = 0.0030488 k( 97) = ( 0.5000000 0.4883949 -0.4883949), wk = 0.0030488 k( 98) = ( 0.5000000 0.4972748 -0.4972748), wk = 0.0030488 k( 99) = ( 0.5027252 0.5000000 0.4972748), wk = 0.0030488 k( 100) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 101) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 102) = ( 0.4926471 0.4926471 0.4926471), wk = 0.0030488 k( 103) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0030488 k( 104) = ( 0.4779412 0.4779412 0.4779412), wk = 0.0030488 k( 105) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0030488 k( 106) = ( 0.4632353 0.4632353 0.4632353), wk = 0.0030488 k( 107) = ( 0.4558823 0.4558823 0.4558823), wk = 0.0030488 k( 108) = ( 0.4485294 0.4485294 0.4485294), wk = 0.0030488 k( 109) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0030488 k( 110) = ( 0.4338235 0.4338235 0.4338235), wk = 0.0030488 k( 111) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0030488 k( 112) = ( 0.4191177 0.4191177 0.4191176), wk = 0.0030488 k( 113) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0030488 k( 114) = ( 0.4044118 0.4044118 0.4044118), wk = 0.0030488 k( 115) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0030488 k( 116) = ( 0.3897059 0.3897059 0.3897059), wk = 0.0030488 k( 117) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0030488 k( 118) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0030488 k( 119) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0030488 k( 120) = ( 0.3602941 0.3602941 0.3602941), wk = 0.0030488 k( 121) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0030488 k( 122) = ( 0.3455882 0.3455882 0.3455882), wk = 0.0030488 k( 123) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0030488 k( 124) = ( 0.3308823 0.3308823 0.3308823), wk = 0.0030488 k( 125) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0030488 k( 126) = ( 0.3161765 0.3161765 0.3161765), wk = 0.0030488 k( 127) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0030488 k( 128) = ( 0.3014706 0.3014706 0.3014706), wk = 0.0030488 k( 129) = ( 0.2941177 0.2941177 0.2941176), wk = 0.0030488 k( 130) = ( 0.2867647 0.2867647 0.2867647), wk = 0.0030488 k( 131) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0030488 k( 132) = ( 0.2720588 0.2720588 0.2720588), wk = 0.0030488 k( 133) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0030488 k( 134) = ( 0.2573529 0.2573529 0.2573529), wk = 0.0030488 k( 135) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030488 k( 136) = ( 0.2426471 0.2426471 0.2426471), wk = 0.0030488 k( 137) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0030488 k( 138) = ( 0.2279412 0.2279412 0.2279412), wk = 0.0030488 k( 139) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0030488 k( 140) = ( 0.2132353 0.2132353 0.2132353), wk = 0.0030488 k( 141) = ( 0.2058823 0.2058824 0.2058823), wk = 0.0030488 k( 142) = ( 0.1985294 0.1985294 0.1985294), wk = 0.0030488 k( 143) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0030488 k( 144) = ( 0.1838235 0.1838235 0.1838235), wk = 0.0030488 k( 145) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0030488 k( 146) = ( 0.1691177 0.1691177 0.1691177), wk = 0.0030488 k( 147) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0030488 k( 148) = ( 0.1544118 0.1544118 0.1544118), wk = 0.0030488 k( 149) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0030488 k( 150) = ( 0.1397059 0.1397059 0.1397059), wk = 0.0030488 k( 151) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0030488 k( 152) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0030488 k( 153) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0030488 k( 154) = ( 0.1102941 0.1102941 0.1102941), wk = 0.0030488 k( 155) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0030488 k( 156) = ( 0.0955882 0.0955882 0.0955882), wk = 0.0030488 k( 157) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0030488 k( 158) = ( 0.0808824 0.0808824 0.0808824), wk = 0.0030488 k( 159) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0030488 k( 160) = ( 0.0661765 0.0661765 0.0661765), wk = 0.0030488 k( 161) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0030488 k( 162) = ( 0.0514706 0.0514706 0.0514706), wk = 0.0030488 k( 163) = ( 0.0441177 0.0441177 0.0441177), wk = 0.0030488 k( 164) = ( 0.0367647 0.0367647 0.0367647), wk = 0.0030488 k( 165) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0030488 k( 166) = ( 0.0220588 0.0220588 0.0220588), wk = 0.0030488 k( 167) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0030488 k( 168) = ( 0.0073529 0.0073529 0.0073529), wk = 0.0030488 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 171) = ( 0.0089042 0.0000000 -0.0089042), wk = 0.0030488 k( 172) = ( 0.0178085 0.0000000 -0.0178085), wk = 0.0030488 k( 173) = ( 0.0267127 0.0000000 -0.0267127), wk = 0.0030488 k( 174) = ( 0.0356170 0.0000000 -0.0356170), wk = 0.0030488 k( 175) = ( 0.0445212 0.0000000 -0.0445212), wk = 0.0030488 k( 176) = ( 0.0534254 0.0000000 -0.0534254), wk = 0.0030488 k( 177) = ( 0.0623297 0.0000000 -0.0623297), wk = 0.0030488 k( 178) = ( 0.0712339 0.0000000 -0.0712339), wk = 0.0030488 k( 179) = ( 0.0801382 0.0000000 -0.0801382), wk = 0.0030488 k( 180) = ( 0.0890424 0.0000000 -0.0890424), wk = 0.0030488 k( 181) = ( 0.0979466 0.0000000 -0.0979466), wk = 0.0030488 k( 182) = ( 0.1068509 0.0000000 -0.1068509), wk = 0.0030488 k( 183) = ( 0.1157551 0.0000000 -0.1157551), wk = 0.0030488 k( 184) = ( 0.1246594 0.0000000 -0.1246593), wk = 0.0030488 k( 185) = ( 0.1335636 0.0000000 -0.1335636), wk = 0.0030488 k( 186) = ( 0.1424678 0.0000000 -0.1424678), wk = 0.0030488 k( 187) = ( 0.1513721 0.0000000 -0.1513721), wk = 0.0030488 k( 188) = ( 0.1602763 0.0000000 -0.1602763), wk = 0.0030488 k( 189) = ( 0.1691805 0.0000000 -0.1691805), wk = 0.0030488 k( 190) = ( 0.1780848 0.0000000 -0.1780848), wk = 0.0030488 k( 191) = ( 0.1869890 0.0000000 -0.1869890), wk = 0.0030488 k( 192) = ( 0.1958933 0.0000000 -0.1958933), wk = 0.0030488 k( 193) = ( 0.2047975 0.0000000 -0.2047975), wk = 0.0030488 k( 194) = ( 0.2137017 0.0000000 -0.2137017), wk = 0.0030488 k( 195) = ( 0.2226060 0.0000000 -0.2226060), wk = 0.0030488 k( 196) = ( 0.2315102 0.0000000 -0.2315102), wk = 0.0030488 k( 197) = ( 0.2404145 0.0000000 -0.2404145), wk = 0.0030488 k( 198) = ( 0.2493187 0.0000000 -0.2493187), wk = 0.0030488 k( 199) = ( 0.2582229 0.0000000 -0.2582229), wk = 0.0030488 k( 200) = ( 0.2671272 0.0000000 -0.2671272), wk = 0.0030488 k( 201) = ( 0.2760314 0.0000000 -0.2760314), wk = 0.0030488 k( 202) = ( 0.2849356 0.0000000 -0.2849356), wk = 0.0030488 k( 203) = ( 0.2938399 0.0000000 -0.2938399), wk = 0.0030488 k( 204) = ( 0.3027441 0.0000000 -0.3027441), wk = 0.0030488 k( 205) = ( 0.3116484 0.0000000 -0.3116484), wk = 0.0030488 k( 206) = ( 0.3205526 0.0000000 -0.3205526), wk = 0.0030488 k( 207) = ( 0.3294568 0.0000000 -0.3294568), wk = 0.0030488 k( 208) = ( 0.3383611 0.0000000 -0.3383611), wk = 0.0030488 k( 209) = ( 0.3472653 0.0000000 -0.3472653), wk = 0.0030488 k( 210) = ( 0.3561696 0.0000000 -0.3561696), wk = 0.0030488 k( 211) = ( 0.3650738 0.0000000 -0.3650738), wk = 0.0030488 k( 212) = ( 0.3739780 0.0000000 -0.3739780), wk = 0.0030488 k( 213) = ( 0.3828823 0.0000000 -0.3828823), wk = 0.0030488 k( 214) = ( 0.3917865 0.0000000 -0.3917865), wk = 0.0030488 k( 215) = ( 0.4006908 0.0000000 -0.4006908), wk = 0.0030488 k( 216) = ( 0.4095950 0.0000000 -0.4095950), wk = 0.0030488 k( 217) = ( 0.4184992 0.0000000 -0.4184992), wk = 0.0030488 k( 218) = ( 0.4274035 0.0000000 -0.4274035), wk = 0.0030488 k( 219) = ( 0.4363077 0.0000000 -0.4363077), wk = 0.0030488 k( 220) = ( 0.4452120 0.0000000 -0.4452119), wk = 0.0030488 k( 221) = ( 0.4541162 0.0000000 -0.4541162), wk = 0.0030488 k( 222) = ( 0.4630204 0.0000000 -0.4630204), wk = 0.0030488 k( 223) = ( 0.4719247 0.0000000 -0.4719247), wk = 0.0030488 k( 224) = ( 0.4808289 0.0000000 -0.4808289), wk = 0.0030488 k( 225) = ( 0.4897332 0.0000000 -0.4897332), wk = 0.0030488 k( 226) = ( 0.4986374 0.0000000 -0.4986374), wk = 0.0030488 k( 227) = ( 0.5013626 0.4986374 0.0000000), wk = 0.0030488 k( 228) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030488 k( 229) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030488 k( 230) = ( 0.5000341 0.5000341 0.0124319), wk = 0.0030488 k( 231) = ( 0.5000681 0.5000681 0.0248637), wk = 0.0030488 k( 232) = ( 0.5001022 0.5001022 0.0372956), wk = 0.0030488 k( 233) = ( 0.5001363 0.5001363 0.0497275), wk = 0.0030488 k( 234) = ( 0.5001703 0.5001703 0.0621593), wk = 0.0030488 k( 235) = ( 0.5002044 0.5002044 0.0745912), wk = 0.0030488 k( 236) = ( 0.5002385 0.5002385 0.0870231), wk = 0.0030488 k( 237) = ( 0.5002725 0.5002725 0.0994549), wk = 0.0030488 k( 238) = ( 0.5003066 0.5003066 0.1118868), wk = 0.0030488 k( 239) = ( 0.5003407 0.5003407 0.1243187), wk = 0.0030488 k( 240) = ( 0.5003747 0.5003747 0.1367506), wk = 0.0030488 k( 241) = ( 0.5004088 0.5004088 0.1491824), wk = 0.0030488 k( 242) = ( 0.5004428 0.5004428 0.1616143), wk = 0.0030488 k( 243) = ( 0.5004769 0.5004769 0.1740462), wk = 0.0030488 k( 244) = ( 0.5005110 0.5005110 0.1864780), wk = 0.0030488 k( 245) = ( 0.5005451 0.5005451 0.1989099), wk = 0.0030488 k( 246) = ( 0.5005791 0.5005791 0.2113418), wk = 0.0030488 k( 247) = ( 0.5006132 0.5006132 0.2237736), wk = 0.0030488 k( 248) = ( 0.5006472 0.5006472 0.2362055), wk = 0.0030488 k( 249) = ( 0.5006813 0.5006813 0.2486374), wk = 0.0030488 k( 250) = ( 0.5007154 0.5007154 0.2610693), wk = 0.0030488 k( 251) = ( 0.5007494 0.5007494 0.2735011), wk = 0.0030488 k( 252) = ( 0.5007835 0.5007835 0.2859330), wk = 0.0030488 k( 253) = ( 0.5008176 0.5008176 0.2983649), wk = 0.0030488 k( 254) = ( 0.5008516 0.5008516 0.3107967), wk = 0.0030488 k( 255) = ( 0.5008857 0.5008857 0.3232286), wk = 0.0030488 k( 256) = ( 0.5009198 0.5009198 0.3356605), wk = 0.0030488 k( 257) = ( 0.5009538 0.5009538 0.3480923), wk = 0.0030488 k( 258) = ( 0.5009879 0.5009879 0.3605242), wk = 0.0030488 k( 259) = ( 0.5010220 0.5010220 0.3729561), wk = 0.0030488 k( 260) = ( 0.5010560 0.5010560 0.3853879), wk = 0.0030488 k( 261) = ( 0.5010901 0.5010901 0.3978198), wk = 0.0030488 k( 262) = ( 0.5011242 0.5011242 0.4102517), wk = 0.0030488 k( 263) = ( 0.5011582 0.5011582 0.4226836), wk = 0.0030488 k( 264) = ( 0.5011923 0.5011923 0.4351154), wk = 0.0030488 k( 265) = ( 0.5012264 0.5012264 0.4475473), wk = 0.0030488 k( 266) = ( 0.5012604 0.5012604 0.4599792), wk = 0.0030488 k( 267) = ( 0.5012945 0.5012945 0.4724110), wk = 0.0030488 k( 268) = ( 0.5013285 0.5013285 0.4848429), wk = 0.0030488 k( 269) = ( 0.5013626 0.5013626 0.4972748), wk = 0.0030488 k( 270) = ( 0.5013626 0.5013626 0.4972748), wk = 0.0030488 k( 271) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 272) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030488 k( 273) = ( 0.5000487 0.0089042 0.0089042), wk = 0.0030488 k( 274) = ( 0.5000973 0.0178085 0.0178085), wk = 0.0030488 k( 275) = ( 0.5001460 0.0267127 0.0267127), wk = 0.0030488 k( 276) = ( 0.5001947 0.0356170 0.0356170), wk = 0.0030488 k( 277) = ( 0.5002433 0.0445212 0.0445212), wk = 0.0030488 k( 278) = ( 0.5002920 0.0534254 0.0534254), wk = 0.0030488 k( 279) = ( 0.5003407 0.0623297 0.0623297), wk = 0.0030488 k( 280) = ( 0.5003893 0.0712339 0.0712339), wk = 0.0030488 k( 281) = ( 0.5004380 0.0801382 0.0801381), wk = 0.0030488 k( 282) = ( 0.5004867 0.0890424 0.0890424), wk = 0.0030488 k( 283) = ( 0.5005353 0.0979466 0.0979466), wk = 0.0030488 k( 284) = ( 0.5005840 0.1068509 0.1068509), wk = 0.0030488 k( 285) = ( 0.5006326 0.1157551 0.1157551), wk = 0.0030488 k( 286) = ( 0.5006813 0.1246594 0.1246594), wk = 0.0030488 k( 287) = ( 0.5007300 0.1335636 0.1335636), wk = 0.0030488 k( 288) = ( 0.5007786 0.1424678 0.1424678), wk = 0.0030488 k( 289) = ( 0.5008273 0.1513721 0.1513721), wk = 0.0030488 k( 290) = ( 0.5008760 0.1602763 0.1602763), wk = 0.0030488 k( 291) = ( 0.5009246 0.1691805 0.1691805), wk = 0.0030488 k( 292) = ( 0.5009733 0.1780848 0.1780848), wk = 0.0030488 k( 293) = ( 0.5010220 0.1869890 0.1869890), wk = 0.0030488 k( 294) = ( 0.5010706 0.1958933 0.1958933), wk = 0.0030488 k( 295) = ( 0.5011193 0.2047975 0.2047975), wk = 0.0030488 k( 296) = ( 0.5011680 0.2137017 0.2137017), wk = 0.0030488 k( 297) = ( 0.5012166 0.2226060 0.2226060), wk = 0.0030488 k( 298) = ( 0.5012653 0.2315102 0.2315102), wk = 0.0030488 k( 299) = ( 0.5013140 0.2404145 0.2404144), wk = 0.0030488 k( 300) = ( 0.5013626 0.2493187 0.2493187), wk = 0.0030488 k( 301) = ( 0.5014113 0.2582229 0.2582229), wk = 0.0030488 k( 302) = ( 0.5014599 0.2671272 0.2671272), wk = 0.0030488 k( 303) = ( 0.5015086 0.2760314 0.2760314), wk = 0.0030488 k( 304) = ( 0.5015573 0.2849356 0.2849356), wk = 0.0030488 k( 305) = ( 0.5016059 0.2938399 0.2938399), wk = 0.0030488 k( 306) = ( 0.5016546 0.3027441 0.3027441), wk = 0.0030488 k( 307) = ( 0.5017033 0.3116484 0.3116484), wk = 0.0030488 k( 308) = ( 0.5017519 0.3205526 0.3205526), wk = 0.0030488 k( 309) = ( 0.5018006 0.3294568 0.3294568), wk = 0.0030488 k( 310) = ( 0.5018493 0.3383611 0.3383611), wk = 0.0030488 k( 311) = ( 0.5018979 0.3472653 0.3472653), wk = 0.0030488 k( 312) = ( 0.5019466 0.3561696 0.3561696), wk = 0.0030488 k( 313) = ( 0.5019953 0.3650738 0.3650738), wk = 0.0030488 k( 314) = ( 0.5020439 0.3739780 0.3739780), wk = 0.0030488 k( 315) = ( 0.5020926 0.3828823 0.3828823), wk = 0.0030488 k( 316) = ( 0.5021412 0.3917865 0.3917865), wk = 0.0030488 k( 317) = ( 0.5021899 0.4006908 0.4006908), wk = 0.0030488 k( 318) = ( 0.5022386 0.4095950 0.4095950), wk = 0.0030488 k( 319) = ( 0.5022872 0.4184992 0.4184992), wk = 0.0030488 k( 320) = ( 0.5023359 0.4274035 0.4274035), wk = 0.0030488 k( 321) = ( 0.5023846 0.4363077 0.4363077), wk = 0.0030488 k( 322) = ( 0.5024332 0.4452120 0.4452120), wk = 0.0030488 k( 323) = ( 0.5024819 0.4541162 0.4541162), wk = 0.0030488 k( 324) = ( 0.5025306 0.4630204 0.4630204), wk = 0.0030488 k( 325) = ( 0.5025792 0.4719247 0.4719247), wk = 0.0030488 k( 326) = ( 0.5026279 0.4808289 0.4808289), wk = 0.0030488 k( 327) = ( 0.5026766 0.4897332 0.4897332), wk = 0.0030488 k( 328) = ( 0.5027252 0.4986374 0.4986374), wk = 0.0030488 Dense grid: 101061 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 21975 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 130, 48) NL pseudopotentials 0.11 Mb ( 65, 111) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2104) G-vector shells 0.01 Mb ( 1790) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 130, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.16 Mb ( 111, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaTiO3.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 44.3 secs Computing kpt #: 2 total cpu time spent up to now is 47.4 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 50.6 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 54.0 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 57.4 secs Computing kpt #: 6 total cpu time spent up to now is 59.3 secs Computing kpt #: 7 total cpu time spent up to now is 60.8 secs Computing kpt #: 8 total cpu time spent up to now is 62.5 secs Computing kpt #: 9 total cpu time spent up to now is 66.7 secs Computing kpt #: 10 total cpu time spent up to now is 69.3 secs Computing kpt #: 11 total cpu time spent up to now is 70.9 secs Computing kpt #: 12 total cpu time spent up to now is 72.7 secs Computing kpt #: 13 total cpu time spent up to now is 74.0 secs Computing kpt #: 14 total cpu time spent up to now is 75.3 secs Computing kpt #: 15 total cpu time spent up to now is 76.6 secs Computing kpt #: 16 total cpu time spent up to now is 77.9 secs Computing kpt #: 17 total cpu time spent up to now is 79.6 secs Computing kpt #: 18 total cpu time spent up to now is 83.4 secs Computing kpt #: 19 total cpu time spent up to now is 85.0 secs Computing kpt #: 20 total cpu time spent up to now is 86.2 secs Computing kpt #: 21 total cpu time spent up to now is 87.5 secs Computing kpt #: 22 total cpu time spent up to now is 88.9 secs Computing kpt #: 23 total cpu time spent up to now is 90.1 secs Computing kpt #: 24 total cpu time spent up to now is 91.5 secs Computing kpt #: 25 total cpu time spent up to now is 92.9 secs Computing kpt #: 26 total cpu time spent up to now is 94.1 secs Computing kpt #: 27 total cpu time spent up to now is 95.3 secs Computing kpt #: 28 total cpu time spent up to now is 96.5 secs Computing kpt #: 29 total cpu time spent up to now is 97.8 secs Computing kpt #: 30 total cpu time spent up to now is 99.2 secs Computing kpt #: 31 total cpu time spent up to now is 102.2 secs Computing kpt #: 32 total cpu time spent up to now is 104.1 secs Computing kpt #: 33 total cpu time spent up to now is 105.3 secs Computing kpt #: 34 total cpu time spent up to now is 106.5 secs Computing kpt #: 35 total cpu time spent up to now is 107.7 secs Computing kpt #: 36 total cpu time spent up to now is 108.9 secs Computing kpt #: 37 total cpu time spent up to now is 110.0 secs Computing kpt #: 38 total cpu time spent up to now is 111.2 secs Computing kpt #: 39 total cpu time spent up to now is 112.4 secs Computing kpt #: 40 total cpu time spent up to now is 113.6 secs Computing kpt #: 41 total cpu time spent up to now is 114.9 secs Computing kpt #: 42 total cpu time spent up to now is 116.0 secs Computing kpt #: 43 total cpu time spent up to now is 117.2 secs Computing kpt #: 44 total cpu time spent up to now is 118.4 secs Computing kpt #: 45 total cpu time spent up to now is 119.6 secs Computing kpt #: 46 total cpu time spent up to now is 120.9 secs Computing kpt #: 47 total cpu time spent up to now is 122.9 secs Computing kpt #: 48 total cpu time spent up to now is 126.3 secs Computing kpt #: 49 total cpu time spent up to now is 127.6 secs Computing kpt #: 50 total cpu time spent up to now is 128.8 secs Computing kpt #: 51 total cpu time spent up to now is 130.0 secs Computing kpt #: 52 total cpu time spent up to now is 131.3 secs Computing kpt #: 53 total cpu time spent up to now is 132.6 secs Computing kpt #: 54 total cpu time spent up to now is 133.8 secs Computing kpt #: 55 total cpu time spent up to now is 135.0 secs Computing kpt #: 56 total cpu time spent up to now is 136.2 secs Computing kpt #: 57 total cpu time spent up to now is 137.6 secs Computing kpt #: 58 total cpu time spent up to now is 138.8 secs Computing kpt #: 59 total cpu time spent up to now is 140.0 secs Computing kpt #: 60 total cpu time spent up to now is 141.2 secs Computing kpt #: 61 total cpu time spent up to now is 143.5 secs Computing kpt #: 62 total cpu time spent up to now is 146.4 secs Computing kpt #: 63 total cpu time spent up to now is 147.9 secs Computing kpt #: 64 total cpu time spent up to now is 149.1 secs Computing kpt #: 65 total cpu time spent up to now is 150.4 secs Computing kpt #: 66 total cpu time spent up to now is 151.7 secs Computing kpt #: 67 total cpu time spent up to now is 153.0 secs Computing kpt #: 68 total cpu time spent up to now is 154.6 secs Computing kpt #: 69 total cpu time spent up to now is 156.0 secs Computing kpt #: 70 total cpu time spent up to now is 157.3 secs Computing kpt #: 71 total cpu time spent up to now is 159.0 secs Computing kpt #: 72 total cpu time spent up to now is 162.9 secs Computing kpt #: 73 total cpu time spent up to now is 165.4 secs Computing kpt #: 74 total cpu time spent up to now is 168.0 secs Computing kpt #: 75 total cpu time spent up to now is 169.8 secs Computing kpt #: 76 total cpu time spent up to now is 172.0 secs Computing kpt #: 77 total cpu time spent up to now is 174.3 secs Computing kpt #: 78 total cpu time spent up to now is 176.6 secs Computing kpt #: 79 total cpu time spent up to now is 178.9 secs Computing kpt #: 80 total cpu time spent up to now is 181.2 secs Computing kpt #: 81 total cpu time spent up to now is 184.1 secs Computing kpt #: 82 total cpu time spent up to now is 186.4 secs Computing kpt #: 83 total cpu time spent up to now is 189.2 secs Computing kpt #: 84 total cpu time spent up to now is 192.1 secs Computing kpt #: 85 total cpu time spent up to now is 194.5 secs Computing kpt #: 86 total cpu time spent up to now is 197.5 secs Computing kpt #: 87 total cpu time spent up to now is 200.5 secs Computing kpt #: 88 total cpu time spent up to now is 203.7 secs Computing kpt #: 89 total cpu time spent up to now is 206.7 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 210.2 secs Computing kpt #: 91 total cpu time spent up to now is 213.4 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 216.8 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 219.9 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 223.1 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 226.3 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 229.5 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 232.6 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 235.8 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 239.0 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 242.0 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 245.0 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 248.1 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 251.2 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 254.3 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 257.4 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 260.5 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 263.6 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 266.7 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 269.9 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 273.0 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 276.1 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 279.3 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 282.4 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 285.5 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 288.7 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 291.9 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 295.2 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 298.3 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 301.5 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 304.6 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 307.8 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 311.0 secs Computing kpt #: 123 total cpu time spent up to now is 313.2 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 316.4 secs Computing kpt #: 125 total cpu time spent up to now is 318.6 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 321.8 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 324.9 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 328.0 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 331.2 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 334.3 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 337.5 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 340.6 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 343.8 secs Computing kpt #: 134 total cpu time spent up to now is 346.3 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 349.3 secs Computing kpt #: 136 total cpu time spent up to now is 350.9 secs Computing kpt #: 137 total cpu time spent up to now is 352.6 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 355.9 secs Computing kpt #: 139 total cpu time spent up to now is 358.8 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 362.0 secs Computing kpt #: 141 total cpu time spent up to now is 363.5 secs Computing kpt #: 142 total cpu time spent up to now is 365.1 secs Computing kpt #: 143 total cpu time spent up to now is 366.7 secs Computing kpt #: 144 total cpu time spent up to now is 368.2 secs Computing kpt #: 145 total cpu time spent up to now is 369.9 secs Computing kpt #: 146 total cpu time spent up to now is 371.4 secs Computing kpt #: 147 total cpu time spent up to now is 372.9 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 376.1 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 379.1 secs Computing kpt #: 150 total cpu time spent up to now is 380.6 secs Computing kpt #: 151 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 383.7 secs Computing kpt #: 152 total cpu time spent up to now is 385.2 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 388.4 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 391.6 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 394.9 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 398.1 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 401.3 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 404.5 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 407.7 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 410.9 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 414.2 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 417.4 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 420.6 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 423.8 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 427.1 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 430.3 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 433.5 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 436.7 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 439.8 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 443.0 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 446.2 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 449.5 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 452.8 secs Computing kpt #: 174 total cpu time spent up to now is 455.7 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 459.0 secs Computing kpt #: 176 total cpu time spent up to now is 462.0 secs Computing kpt #: 177 total cpu time spent up to now is 464.6 secs Computing kpt #: 178 total cpu time spent up to now is 467.0 secs Computing kpt #: 179 total cpu time spent up to now is 468.8 secs Computing kpt #: 180 total cpu time spent up to now is 470.5 secs Computing kpt #: 181 total cpu time spent up to now is 471.9 secs Computing kpt #: 182 total cpu time spent up to now is 473.7 secs Computing kpt #: 183 total cpu time spent up to now is 475.4 secs Computing kpt #: 184 total cpu time spent up to now is 476.7 secs Computing kpt #: 185 total cpu time spent up to now is 478.1 secs Computing kpt #: 186 total cpu time spent up to now is 479.4 secs Computing kpt #: 187 total cpu time spent up to now is 480.8 secs Computing kpt #: 188 total cpu time spent up to now is 482.5 secs Computing kpt #: 189 total cpu time spent up to now is 483.8 secs Computing kpt #: 190 total cpu time spent up to now is 485.5 secs Computing kpt #: 191 total cpu time spent up to now is 486.7 secs Computing kpt #: 192 total cpu time spent up to now is 488.0 secs Computing kpt #: 193 total cpu time spent up to now is 489.3 secs Computing kpt #: 194 total cpu time spent up to now is 490.8 secs Computing kpt #: 195 total cpu time spent up to now is 492.4 secs Computing kpt #: 196 total cpu time spent up to now is 493.6 secs Computing kpt #: 197 total cpu time spent up to now is 495.1 secs Computing kpt #: 198 total cpu time spent up to now is 496.3 secs Computing kpt #: 199 total cpu time spent up to now is 497.6 secs Computing kpt #: 200 total cpu time spent up to now is 498.8 secs Computing kpt #: 201 total cpu time spent up to now is 500.0 secs Computing kpt #: 202 total cpu time spent up to now is 501.4 secs Computing kpt #: 203 total cpu time spent up to now is 502.5 secs Computing kpt #: 204 total cpu time spent up to now is 503.7 secs Computing kpt #: 205 total cpu time spent up to now is 504.9 secs Computing kpt #: 206 total cpu time spent up to now is 506.1 secs Computing kpt #: 207 total cpu time spent up to now is 507.2 secs Computing kpt #: 208 total cpu time spent up to now is 508.4 secs Computing kpt #: 209 total cpu time spent up to now is 509.6 secs Computing kpt #: 210 total cpu time spent up to now is 510.8 secs Computing kpt #: 211 total cpu time spent up to now is 512.0 secs Computing kpt #: 212 total cpu time spent up to now is 513.2 secs Computing kpt #: 213 total cpu time spent up to now is 514.4 secs Computing kpt #: 214 total cpu time spent up to now is 515.6 secs Computing kpt #: 215 total cpu time spent up to now is 516.6 secs Computing kpt #: 216 total cpu time spent up to now is 517.7 secs Computing kpt #: 217 total cpu time spent up to now is 518.9 secs Computing kpt #: 218 total cpu time spent up to now is 520.0 secs Computing kpt #: 219 total cpu time spent up to now is 521.3 secs Computing kpt #: 220 total cpu time spent up to now is 522.3 secs Computing kpt #: 221 total cpu time spent up to now is 523.3 secs Computing kpt #: 222 total cpu time spent up to now is 524.3 secs Computing kpt #: 223 total cpu time spent up to now is 525.3 secs Computing kpt #: 224 total cpu time spent up to now is 526.5 secs Computing kpt #: 225 total cpu time spent up to now is 527.6 secs Computing kpt #: 226 total cpu time spent up to now is 528.6 secs Computing kpt #: 227 total cpu time spent up to now is 529.7 secs Computing kpt #: 228 total cpu time spent up to now is 530.8 secs Computing kpt #: 229 total cpu time spent up to now is 531.8 secs Computing kpt #: 230 total cpu time spent up to now is 532.8 secs Computing kpt #: 231 total cpu time spent up to now is 533.8 secs Computing kpt #: 232 total cpu time spent up to now is 534.8 secs Computing kpt #: 233 total cpu time spent up to now is 535.8 secs Computing kpt #: 234 total cpu time spent up to now is 537.0 secs Computing kpt #: 235 total cpu time spent up to now is 538.1 secs Computing kpt #: 236 total cpu time spent up to now is 539.4 secs Computing kpt #: 237 total cpu time spent up to now is 540.5 secs Computing kpt #: 238 total cpu time spent up to now is 541.5 secs Computing kpt #: 239 total cpu time spent up to now is 542.8 secs Computing kpt #: 240 total cpu time spent up to now is 544.1 secs Computing kpt #: 241 total cpu time spent up to now is 545.5 secs Computing kpt #: 242 total cpu time spent up to now is 547.0 secs Computing kpt #: 243 total cpu time spent up to now is 548.2 secs Computing kpt #: 244 total cpu time spent up to now is 549.6 secs Computing kpt #: 245 total cpu time spent up to now is 551.1 secs Computing kpt #: 246 total cpu time spent up to now is 552.7 secs Computing kpt #: 247 total cpu time spent up to now is 554.3 secs Computing kpt #: 248 total cpu time spent up to now is 555.8 secs Computing kpt #: 249 total cpu time spent up to now is 557.4 secs Computing kpt #: 250 total cpu time spent up to now is 559.1 secs Computing kpt #: 251 total cpu time spent up to now is 560.6 secs Computing kpt #: 252 total cpu time spent up to now is 562.3 secs Computing kpt #: 253 total cpu time spent up to now is 564.2 secs Computing kpt #: 254 total cpu time spent up to now is 565.9 secs Computing kpt #: 255 total cpu time spent up to now is 567.9 secs Computing kpt #: 256 total cpu time spent up to now is 570.0 secs Computing kpt #: 257 total cpu time spent up to now is 572.0 secs Computing kpt #: 258 total cpu time spent up to now is 574.1 secs Computing kpt #: 259 total cpu time spent up to now is 575.9 secs Computing kpt #: 260 total cpu time spent up to now is 578.1 secs Computing kpt #: 261 total cpu time spent up to now is 580.5 secs Computing kpt #: 262 total cpu time spent up to now is 583.1 secs Computing kpt #: 263 total cpu time spent up to now is 586.1 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 589.3 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 592.6 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 595.8 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 598.9 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 602.1 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 605.3 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 608.5 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 611.4 secs Computing kpt #: 272 total cpu time spent up to now is 612.7 secs Computing kpt #: 273 total cpu time spent up to now is 613.8 secs Computing kpt #: 274 total cpu time spent up to now is 615.1 secs Computing kpt #: 275 total cpu time spent up to now is 616.3 secs Computing kpt #: 276 total cpu time spent up to now is 617.7 secs Computing kpt #: 277 total cpu time spent up to now is 619.1 secs Computing kpt #: 278 total cpu time spent up to now is 620.3 secs Computing kpt #: 279 total cpu time spent up to now is 621.4 secs Computing kpt #: 280 total cpu time spent up to now is 622.6 secs Computing kpt #: 281 total cpu time spent up to now is 623.9 secs Computing kpt #: 282 total cpu time spent up to now is 625.1 secs Computing kpt #: 283 total cpu time spent up to now is 626.4 secs Computing kpt #: 284 total cpu time spent up to now is 627.6 secs Computing kpt #: 285 total cpu time spent up to now is 628.8 secs Computing kpt #: 286 total cpu time spent up to now is 630.0 secs Computing kpt #: 287 total cpu time spent up to now is 631.3 secs Computing kpt #: 288 total cpu time spent up to now is 632.6 secs Computing kpt #: 289 total cpu time spent up to now is 633.8 secs Computing kpt #: 290 total cpu time spent up to now is 635.0 secs Computing kpt #: 291 total cpu time spent up to now is 636.2 secs Computing kpt #: 292 total cpu time spent up to now is 637.4 secs Computing kpt #: 293 total cpu time spent up to now is 638.6 secs Computing kpt #: 294 total cpu time spent up to now is 639.8 secs Computing kpt #: 295 total cpu time spent up to now is 641.0 secs Computing kpt #: 296 total cpu time spent up to now is 642.2 secs Computing kpt #: 297 total cpu time spent up to now is 643.5 secs Computing kpt #: 298 total cpu time spent up to now is 644.7 secs Computing kpt #: 299 total cpu time spent up to now is 646.1 secs Computing kpt #: 300 total cpu time spent up to now is 647.4 secs Computing kpt #: 301 total cpu time spent up to now is 648.8 secs Computing kpt #: 302 total cpu time spent up to now is 650.1 secs Computing kpt #: 303 total cpu time spent up to now is 651.6 secs Computing kpt #: 304 total cpu time spent up to now is 653.0 secs Computing kpt #: 305 total cpu time spent up to now is 654.6 secs Computing kpt #: 306 total cpu time spent up to now is 656.2 secs Computing kpt #: 307 total cpu time spent up to now is 657.8 secs Computing kpt #: 308 total cpu time spent up to now is 659.7 secs Computing kpt #: 309 total cpu time spent up to now is 661.3 secs Computing kpt #: 310 total cpu time spent up to now is 663.2 secs Computing kpt #: 311 total cpu time spent up to now is 664.9 secs Computing kpt #: 312 total cpu time spent up to now is 667.3 secs Computing kpt #: 313 total cpu time spent up to now is 669.8 secs Computing kpt #: 314 total cpu time spent up to now is 672.4 secs Computing kpt #: 315 total cpu time spent up to now is 674.9 secs Computing kpt #: 316 total cpu time spent up to now is 677.8 secs Computing kpt #: 317 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 681.0 secs Computing kpt #: 318 total cpu time spent up to now is 683.9 secs Computing kpt #: 319 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 687.1 secs Computing kpt #: 320 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 690.3 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 693.5 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 696.7 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 699.9 secs Computing kpt #: 324 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 703.0 secs Computing kpt #: 325 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 706.2 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 709.4 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 712.6 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 715.7 secs ethr = 2.50E-11, avg # of iterations = 61.2 total cpu time spent up to now is 715.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9207 -45.9207 -22.6384 -22.6384 -21.9855 -21.9855 -21.9823 -21.9823 -14.4062 -14.4062 -6.4940 -6.4940 -5.8318 -5.8318 -5.8291 -5.8291 -0.9454 -0.9454 0.9691 0.9691 0.9709 0.9709 7.9839 7.9839 8.2000 8.2000 8.2012 8.2012 8.9907 8.9907 9.0001 9.0001 9.2354 9.2354 9.7685 9.7685 9.9187 9.9187 9.9756 9.9756 12.7161 12.7161 12.7276 12.7276 12.8640 12.8640 14.8488 14.8501 k = 0.0125-0.0000-0.0000 ( 2777 PWs) bands (ev): -45.9207 -45.9207 -22.6385 -22.6384 -21.9855 -21.9855 -21.9824 -21.9823 -14.4060 -14.4060 -6.4942 -6.4939 -5.8319 -5.8316 -5.8290 -5.8290 -0.9452 -0.9449 0.9694 0.9695 0.9710 0.9718 7.9810 7.9848 8.1961 8.1981 8.2007 8.2024 8.9887 8.9889 8.9972 8.9991 9.2337 9.2351 9.7532 9.7784 9.9054 9.9290 9.9758 9.9761 12.7169 12.7175 12.7280 12.7303 12.8640 12.8658 14.8493 14.8494 k = 0.0250-0.0001-0.0001 ( 2771 PWs) bands (ev): -45.9207 -45.9207 -22.6386 -22.6384 -21.9855 -21.9855 -21.9825 -21.9824 -14.4055 -14.4055 -6.4944 -6.4939 -5.8320 -5.8313 -5.8289 -5.8289 -0.9443 -0.9437 0.9704 0.9705 0.9720 0.9736 7.9759 7.9835 8.1876 8.1932 8.1996 8.2015 8.9827 8.9831 8.9905 8.9942 9.2303 9.2329 9.7336 9.7815 9.8913 9.9344 9.9758 9.9783 12.7178 12.7209 12.7338 12.7363 12.8662 12.8696 14.8492 14.8496 k = 0.0375-0.0001-0.0001 ( 2768 PWs) bands (ev): -45.9207 -45.9207 -22.6387 -22.6385 -21.9857 -21.9857 -21.9826 -21.9824 -14.4046 -14.4046 -6.4947 -6.4940 -5.8320 -5.8310 -5.8286 -5.8286 -0.9427 -0.9418 0.9718 0.9721 0.9740 0.9764 7.9683 7.9799 8.1752 8.1848 8.1975 8.1992 8.9728 8.9733 8.9803 8.9855 9.2250 9.2288 9.7104 9.7760 9.8786 9.9346 9.9750 9.9814 12.7181 12.7246 12.7458 12.7473 12.8705 12.8753 14.8490 14.8496 k = 0.0500-0.0001-0.0001 ( 2766 PWs) bands (ev): -45.9206 -45.9206 -22.6389 -22.6386 -21.9859 -21.9859 -21.9828 -21.9825 -14.4034 -14.4033 -6.4951 -6.4941 -5.8318 -5.8305 -5.8282 -5.8282 -0.9405 -0.9392 0.9738 0.9741 0.9771 0.9803 7.9580 7.9737 8.1594 8.1730 8.1944 8.1960 8.9590 8.9597 8.9672 8.9734 9.2178 9.2225 9.6843 9.7616 9.8686 9.9309 9.9730 9.9840 12.7186 12.7279 12.7631 12.7638 12.8772 12.8830 14.8487 14.8496 k = 0.0625-0.0002-0.0002 ( 2764 PWs) bands (ev): -45.9206 -45.9206 -22.6391 -22.6388 -21.9863 -21.9862 -21.9829 -21.9826 -14.4018 -14.4017 -6.4957 -6.4945 -5.8315 -5.8299 -5.8277 -5.8276 -0.9375 -0.9360 0.9763 0.9766 0.9813 0.9852 7.9444 7.9641 8.1407 8.1583 8.1903 8.1919 8.9415 8.9425 8.9514 8.9582 9.2086 9.2141 9.6557 9.7393 9.8606 9.9245 9.9693 9.9845 12.7199 12.7313 12.7853 12.7855 12.8865 12.8931 14.8485 14.8495 k = 0.0750-0.0002-0.0002 ( 2767 PWs) bands (ev): -45.9206 -45.9206 -22.6394 -22.6390 -21.9868 -21.9866 -21.9830 -21.9828 -14.3999 -14.3998 -6.4966 -6.4952 -5.8310 -5.8292 -5.8270 -5.8267 -0.9340 -0.9322 0.9793 0.9796 0.9865 0.9911 7.9270 7.9504 8.1204 8.1417 8.1852 8.1868 8.9208 8.9220 8.9334 8.9401 9.1975 9.2036 9.6250 9.7111 9.8529 9.9161 9.9637 9.9819 12.7223 12.7350 12.8119 12.8120 12.8987 12.9057 14.8481 14.8494 k = 0.0875-0.0002-0.0002 ( 2760 PWs) bands (ev): -45.9206 -45.9206 -22.6397 -22.6392 -21.9873 -21.9871 -21.9831 -21.9829 -14.3977 -14.3976 -6.4978 -6.4962 -5.8302 -5.8284 -5.8260 -5.8255 -0.9298 -0.9277 0.9828 0.9831 0.9927 0.9979 7.9050 7.9314 8.0995 8.1238 8.1790 8.1806 8.8973 8.8986 8.9131 8.9194 9.1844 9.1909 9.5925 9.6786 9.8446 9.9061 9.9559 9.9760 12.7257 12.7392 12.8428 12.8428 12.9141 12.9213 14.8478 14.8493 k = 0.1000-0.0003-0.0003 ( 2752 PWs) bands (ev): -45.9206 -45.9206 -22.6400 -22.6395 -21.9880 -21.9877 -21.9832 -21.9829 -14.3951 -14.3950 -6.4994 -6.4976 -5.8292 -5.8276 -5.8247 -5.8237 -0.9251 -0.9227 0.9868 0.9871 0.9997 1.0056 7.8781 7.9061 8.0795 8.1055 8.1717 8.1733 8.8716 8.8727 8.8910 8.8965 9.1693 9.1762 9.5584 9.6429 9.8351 9.8947 9.9459 9.9666 12.7301 12.7439 12.8772 12.8777 12.9330 12.9403 14.8474 14.8491 k = 0.1125-0.0003-0.0003 ( 2756 PWs) bands (ev): -45.9205 -45.9205 -22.6404 -22.6399 -21.9888 -21.9884 -21.9832 -21.9830 -14.3923 -14.3922 -6.5016 -6.4995 -5.8279 -5.8266 -5.8230 -5.8214 -0.9198 -0.9171 0.9912 0.9915 1.0076 1.0141 7.8456 7.8740 8.0611 8.0874 8.1632 8.1649 8.8440 8.8448 8.8673 8.8718 9.1525 9.1594 9.5230 9.6045 9.8240 9.8821 9.9337 9.9539 12.7354 12.7491 12.9147 12.9162 12.9557 12.9635 14.8470 14.8489 k = 0.1250-0.0003-0.0003 ( 2752 PWs) bands (ev): -45.9205 -45.9205 -22.6408 -22.6402 -21.9897 -21.9893 -21.9832 -21.9830 -14.3891 -14.3890 -6.5043 -6.5021 -5.8266 -5.8256 -5.8205 -5.8183 -0.9140 -0.9111 0.9961 0.9964 1.0164 1.0235 7.8077 7.8352 8.0445 8.0699 8.1534 8.1552 8.8150 8.8152 8.8424 8.8455 9.1339 9.1408 9.4863 9.5639 9.8115 9.8683 9.9194 9.9382 12.7414 12.7546 12.9541 12.9578 12.9827 12.9919 14.8466 14.8487 k = 0.1375-0.0004-0.0004 ( 2753 PWs) bands (ev): -45.9205 -45.9205 -22.6413 -22.6407 -21.9908 -21.9902 -21.9832 -21.9830 -14.3858 -14.3856 -6.5077 -6.5053 -5.8253 -5.8246 -5.8172 -5.8144 -0.9077 -0.9046 1.0014 1.0017 1.0259 1.0335 7.7645 7.7903 8.0294 8.0531 8.1424 8.1443 8.7843 8.7849 8.8166 8.8181 9.1138 9.1205 9.4486 9.5213 9.7975 9.8534 9.9034 9.9197 12.7479 12.7603 12.9938 13.0009 13.0152 13.0268 14.8461 14.8485 k = 0.1500-0.0004-0.0004 ( 2755 PWs) bands (ev): -45.9205 -45.9205 -22.6418 -22.6411 -21.9919 -21.9913 -21.9832 -21.9830 -14.3821 -14.3820 -6.5119 -6.5093 -5.8240 -5.8235 -5.8128 -5.8097 -0.9010 -0.8977 1.0070 1.0073 1.0361 1.0443 7.7167 7.7403 8.0152 8.0368 8.1299 8.1320 8.7524 8.7541 8.7899 8.7902 9.0923 9.0987 9.4100 9.4771 9.7822 9.8376 9.8858 9.8990 12.7547 12.7662 13.0331 13.0416 13.0567 13.0687 14.8456 14.8481 k = 0.1625-0.0004-0.0004 ( 2751 PWs) bands (ev): -45.9204 -45.9204 -22.6423 -22.6416 -21.9930 -21.9924 -21.9831 -21.9830 -14.3783 -14.3782 -6.5168 -6.5142 -5.8227 -5.8224 -5.8074 -5.8040 -0.8940 -0.8904 1.0131 1.0134 1.0470 1.0557 7.6646 7.6860 8.0015 8.0208 8.1161 8.1183 8.7200 8.7229 8.7613 8.7635 9.0696 9.0758 9.3705 9.4314 9.7658 9.8208 9.8670 9.8764 12.7616 12.7722 13.0730 13.0811 13.1056 13.1162 14.8451 14.8478 k = 0.1750-0.0005-0.0005 ( 2753 PWs) bands (ev): -45.9204 -45.9204 -22.6429 -22.6421 -21.9943 -21.9936 -21.9831 -21.9829 -14.3742 -14.3741 -6.5226 -6.5198 -5.8214 -5.8212 -5.8010 -5.7973 -0.8866 -0.8828 1.0194 1.0197 1.0585 1.0676 7.6090 7.6282 7.9878 8.0049 8.1008 8.1031 8.6873 8.6916 8.7326 8.7368 9.0460 9.0518 9.3305 9.3847 9.7482 9.8031 9.8473 9.8527 12.7686 12.7783 13.1149 13.1228 13.1576 13.1672 14.8445 14.8474 k = 0.1875-0.0005-0.0005 ( 2755 PWs) bands (ev): -45.9203 -45.9203 -22.6434 -22.6427 -21.9956 -21.9948 -21.9830 -21.9829 -14.3700 -14.3699 -6.5291 -6.5263 -5.8201 -5.8199 -5.7935 -5.7896 -0.8789 -0.8750 1.0261 1.0264 1.0705 1.0800 7.5504 7.5677 7.9738 7.9888 8.0842 8.0866 8.6545 8.6604 8.7040 8.7103 9.0217 9.0270 9.2901 9.3372 9.7297 9.7843 9.8270 9.8282 12.7755 12.7843 13.1593 13.1673 13.2117 13.2207 14.8438 14.8470 k = 0.2000-0.0005-0.0005 ( 2751 PWs) bands (ev): -45.9203 -45.9203 -22.6440 -22.6432 -21.9969 -21.9961 -21.9829 -21.9828 -14.3657 -14.3655 -6.5365 -6.5337 -5.8188 -5.8186 -5.7850 -5.7810 -0.8710 -0.8669 1.0330 1.0333 1.0829 1.0929 7.4896 7.5050 7.9595 7.9725 8.0661 8.0686 8.6220 8.6296 8.6758 8.6842 8.9970 9.0017 9.2494 9.2892 9.7104 9.7645 9.8038 9.8063 12.7823 12.7903 13.2061 13.2144 13.2673 13.2759 14.8431 14.8465 k = 0.2125-0.0006-0.0006 ( 2748 PWs) bands (ev): -45.9203 -45.9203 -22.6446 -22.6438 -21.9982 -21.9974 -21.9828 -21.9827 -14.3612 -14.3610 -6.5447 -6.5418 -5.8175 -5.8173 -5.7755 -5.7713 -0.8630 -0.8587 1.0401 1.0404 1.0958 1.1060 7.4269 7.4407 7.9445 7.9559 8.0466 8.0493 8.5899 8.5994 8.6481 8.6587 8.9721 8.9762 9.2088 9.2412 9.6906 9.7433 9.7799 9.7855 12.7890 12.7964 13.2552 13.2638 13.3239 13.3324 14.8424 14.8459 k = 0.2250-0.0006-0.0006 ( 2745 PWs) bands (ev): -45.9202 -45.9202 -22.6452 -22.6444 -21.9995 -21.9987 -21.9828 -21.9827 -14.3566 -14.3564 -6.5536 -6.5507 -5.8161 -5.8160 -5.7650 -5.7608 -0.8548 -0.8504 1.0473 1.0476 1.1089 1.1194 7.3630 7.3754 7.9290 7.9387 8.0260 8.0287 8.5585 8.5698 8.6210 8.6337 8.9472 8.9506 9.1684 9.1936 9.6702 9.7207 9.7572 9.7648 12.7957 12.8024 13.3061 13.3150 13.3813 13.3896 14.8415 14.8453 k = 0.2375-0.0007-0.0006 ( 2749 PWs) bands (ev): -45.9202 -45.9202 -22.6459 -22.6450 -22.0009 -22.0001 -21.9827 -21.9826 -14.3519 -14.3518 -6.5632 -6.5603 -5.8147 -5.8146 -5.7537 -5.7494 -0.8465 -0.8420 1.0547 1.0550 1.1223 1.1330 7.2983 7.3094 7.9129 7.9211 8.0042 8.0070 8.5280 8.5411 8.5946 8.6093 8.9225 8.9251 9.1286 9.1467 9.6496 9.6969 9.7357 9.7444 12.8022 12.8083 13.3585 13.3675 13.4390 13.4472 14.8406 14.8446 k = 0.2500-0.0007-0.0007 ( 2747 PWs) bands (ev): -45.9201 -45.9201 -22.6465 -22.6456 -22.0023 -22.0015 -21.9826 -21.9825 -14.3472 -14.3471 -6.5734 -6.5705 -5.8134 -5.8133 -5.7416 -5.7373 -0.8382 -0.8336 1.0622 1.0625 1.1358 1.1467 7.2334 7.2434 7.8962 7.9030 7.9815 7.9843 8.4984 8.5132 8.5690 8.5855 8.8983 8.9000 9.0897 9.1010 9.6289 9.6724 9.7155 9.7243 12.8086 12.8142 13.4119 13.4210 13.4967 13.5049 14.8397 14.8438 k = 0.2625-0.0007-0.0007 ( 2745 PWs) bands (ev): -45.9201 -45.9201 -22.6471 -22.6463 -22.0037 -22.0028 -21.9825 -21.9825 -14.3425 -14.3424 -6.5840 -6.5812 -5.8120 -5.8119 -5.7288 -5.7246 -0.8299 -0.8253 1.0697 1.0700 1.1494 1.1604 7.1686 7.1776 7.8790 7.8845 7.9581 7.9609 8.4699 8.4864 8.5439 8.5622 8.8748 8.8755 9.0519 9.0568 9.6082 9.6476 9.6963 9.7048 12.8149 12.8200 13.4659 13.4751 13.5541 13.5622 14.8386 14.8429 k = 0.2750-0.0008-0.0008 ( 2745 PWs) bands (ev): -45.9201 -45.9201 -22.6477 -22.6469 -22.0050 -22.0042 -21.9824 -21.9824 -14.3379 -14.3377 -6.5949 -6.5922 -5.8106 -5.8106 -5.7155 -5.7113 -0.8217 -0.8171 1.0772 1.0775 1.1630 1.1740 7.1045 7.1126 7.8613 7.8657 7.9342 7.9370 8.4426 8.4606 8.5196 8.5393 8.8516 8.8520 9.0148 9.0155 9.5876 9.6230 9.6779 9.6858 12.8211 12.8258 13.5201 13.5293 13.6109 13.6190 14.8375 14.8419 k = 0.2875-0.0008-0.0008 ( 2749 PWs) bands (ev): -45.9200 -45.9200 -22.6484 -22.6476 -22.0064 -22.0056 -21.9824 -21.9823 -14.3332 -14.3331 -6.6062 -6.6036 -5.8093 -5.8092 -5.7018 -5.6977 -0.8137 -0.8091 1.0847 1.0850 1.1765 1.1874 7.0414 7.0488 7.8434 7.8467 7.9101 7.9128 8.4165 8.4360 8.4958 8.5167 8.8285 8.8302 8.9751 8.9807 9.5674 9.5988 9.6603 9.6674 12.8271 12.8314 13.5741 13.5831 13.6668 13.6748 14.8362 14.8408 k = 0.3000-0.0008-0.0008 ( 2749 PWs) bands (ev): -45.9200 -45.9200 -22.6490 -22.6482 -22.0077 -22.0069 -21.9823 -21.9823 -14.3287 -14.3285 -6.6175 -6.6150 -5.8080 -5.8079 -5.6878 -5.6839 -0.8058 -0.8012 1.0920 1.0923 1.1898 1.2006 6.9797 6.9864 7.8253 7.8277 7.8859 7.8885 8.3917 8.4124 8.4726 8.4943 8.8062 8.8094 8.9382 8.9479 9.5477 9.5754 9.6434 9.6498 12.8330 12.8369 13.6274 13.6363 13.7215 13.7295 14.8349 14.8395 k = 0.3125-0.0009-0.0009 ( 2753 PWs) bands (ev): -45.9200 -45.9200 -22.6496 -22.6488 -22.0090 -22.0082 -21.9822 -21.9822 -14.3242 -14.3241 -6.6288 -6.6265 -5.8067 -5.8067 -5.6737 -5.6700 -0.7981 -0.7936 1.0992 1.0995 1.2029 1.2134 6.9198 6.9259 7.8072 7.8087 7.8620 7.8644 8.3682 8.3899 8.4500 8.4720 8.7849 8.7897 8.9044 8.9172 9.5286 9.5528 9.6273 9.6329 12.8387 12.8423 13.6797 13.6884 13.7746 13.7826 14.8334 14.8382 k = 0.3250-0.0009-0.0009 ( 2754 PWs) bands (ev): -45.9199 -45.9199 -22.6502 -22.6494 -22.0102 -22.0095 -21.9822 -21.9821 -14.3199 -14.3198 -6.6401 -6.6378 -5.8055 -5.8054 -5.6597 -5.6561 -0.7907 -0.7863 1.1062 1.1065 1.2156 1.2259 6.8621 6.8677 7.7892 7.7900 7.8385 7.8407 8.3460 8.3686 8.4279 8.4497 8.7646 8.7710 8.8739 8.8887 9.5101 9.5313 9.6120 9.6169 12.8442 12.8474 13.7305 13.7390 13.8261 13.8339 14.8319 14.8368 k = 0.3375-0.0009-0.0009 ( 2754 PWs) bands (ev): -45.9199 -45.9199 -22.6507 -22.6500 -22.0114 -22.0106 -21.9821 -21.9821 -14.3157 -14.3156 -6.6511 -6.6490 -5.8043 -5.8042 -5.6459 -5.6424 -0.7835 -0.7793 1.1130 1.1133 1.2278 1.2378 6.8069 6.8120 7.7715 7.7717 7.8157 7.8177 8.3253 8.3484 8.4066 8.4276 8.7453 8.7535 8.8468 8.8627 9.4925 9.5108 9.5975 9.6018 12.8494 12.8524 13.7797 13.7878 13.8754 13.8831 14.8303 14.8352 k = 0.3500-0.0010-0.0010 ( 2756 PWs) bands (ev): -45.9199 -45.9199 -22.6512 -22.6506 -22.0125 -22.0118 -21.9820 -21.9820 -14.3118 -14.3116 -6.6617 -6.6598 -5.8031 -5.8031 -5.6324 -5.6291 -0.7767 -0.7727 1.1195 1.1197 1.2396 1.2491 6.7545 6.7591 7.7540 7.7543 7.7938 7.7956 8.3059 8.3294 8.3860 8.4058 8.7272 8.7370 8.8231 8.8391 9.4758 9.4916 9.5838 9.5877 12.8545 12.8572 13.8267 13.8345 13.9225 13.9300 14.8286 14.8335 k = 0.3625-0.0010-0.0010 ( 2756 PWs) bands (ev): -45.9198 -45.9198 -22.6517 -22.6511 -22.0136 -22.0129 -21.9820 -21.9819 -14.3080 -14.3079 -6.6719 -6.6701 -5.8020 -5.8020 -5.6193 -5.6163 -0.7703 -0.7664 1.1256 1.1259 1.2508 1.2598 6.7052 6.7093 7.7370 7.7378 7.7730 7.7745 8.2879 8.3116 8.3662 8.3843 8.7103 8.7215 8.8026 8.8180 9.4602 9.4737 9.5711 9.5745 12.8592 12.8617 13.8714 13.8787 13.9670 13.9744 14.8268 14.8317 k = 0.3750-0.0010-0.0010 ( 2762 PWs) bands (ev): -45.9198 -45.9198 -22.6522 -22.6516 -22.0146 -22.0139 -21.9819 -21.9819 -14.3045 -14.3044 -6.6816 -6.6799 -5.8010 -5.8010 -5.6069 -5.6041 -0.7643 -0.7607 1.1314 1.1316 1.2613 1.2698 6.6593 6.6630 7.7210 7.7221 7.7535 7.7547 8.2714 8.2949 8.3475 8.3635 8.6947 8.7071 8.7851 8.7995 9.4456 9.4571 9.5594 9.5623 12.8637 12.8659 13.9133 13.9201 14.0088 14.0158 14.8250 14.8298 k = 0.3875-0.0011-0.0011 ( 2763 PWs) bands (ev): -45.9198 -45.9198 -22.6526 -22.6521 -22.0155 -22.0149 -21.9819 -21.9818 -14.3012 -14.3011 -6.6906 -6.6891 -5.8001 -5.8001 -5.5953 -5.5927 -0.7587 -0.7554 1.1367 1.1369 1.2711 1.2790 6.6170 6.6203 7.7061 7.7073 7.7354 7.7363 8.2564 8.2794 8.3300 8.3437 8.6807 8.6936 8.7704 8.7833 9.4322 9.4419 9.5487 9.5511 12.8678 12.8697 13.9522 13.9585 14.0475 14.0542 14.8232 14.8278 k = 0.4000-0.0011-0.0011 ( 2757 PWs) bands (ev): -45.9197 -45.9197 -22.6530 -22.6525 -22.0162 -22.0157 -21.9818 -21.9818 -14.2982 -14.2982 -6.6989 -6.6976 -5.7993 -5.7992 -5.5845 -5.5822 -0.7537 -0.7506 1.1416 1.1418 1.2801 1.2873 6.5785 6.5814 7.6924 7.6936 7.7188 7.7195 8.2430 8.2652 8.3139 8.3251 8.6683 8.6813 8.7580 8.7694 9.4201 9.4282 9.5390 9.5411 12.8716 12.8733 13.9879 13.9936 14.0830 14.0893 14.8214 14.8258 k = 0.4125-0.0011-0.0011 ( 2758 PWs) bands (ev): -45.9197 -45.9197 -22.6533 -22.6529 -22.0170 -22.0165 -21.9818 -21.9817 -14.2956 -14.2955 -6.7064 -6.7052 -5.7985 -5.7985 -5.5746 -5.5726 -0.7491 -0.7463 1.1460 1.1462 1.2883 1.2947 6.5441 6.5467 7.6800 7.6812 7.7039 7.7044 8.2312 8.2522 8.2992 8.3080 8.6575 8.6701 8.7477 8.7576 9.4092 9.4160 9.5304 9.5322 12.8750 12.8764 14.0200 14.0251 14.1150 14.1208 14.8197 14.8237 k = 0.4250-0.0012-0.0012 ( 2756 PWs) bands (ev): -45.9197 -45.9197 -22.6536 -22.6532 -22.0176 -22.0171 -21.9817 -21.9817 -14.2932 -14.2931 -6.7130 -6.7120 -5.7978 -5.7978 -5.5659 -5.5641 -0.7450 -0.7426 1.1499 1.1501 1.2956 1.3012 6.5140 6.5161 7.6690 7.6701 7.6909 7.6911 8.2211 8.2404 8.2862 8.2928 8.6484 8.6600 8.7394 8.7477 9.3998 9.4052 9.5229 9.5243 12.8780 12.8792 14.0483 14.0528 14.1433 14.1485 14.8180 14.8217 k = 0.4375-0.0012-0.0012 ( 2757 PWs) bands (ev): -45.9197 -45.9197 -22.6539 -22.6535 -22.0181 -22.0177 -21.9817 -21.9816 -14.2912 -14.2911 -6.7187 -6.7179 -5.7973 -5.7973 -5.5583 -5.5568 -0.7415 -0.7395 1.1533 1.1534 1.3019 1.3067 6.4882 6.4900 7.6596 7.6605 7.6797 7.6797 8.2127 8.2299 8.2750 8.2796 8.6410 8.6512 8.7327 8.7395 9.3917 9.3961 9.5165 9.5177 12.8806 12.8816 14.0728 14.0766 14.1678 14.1723 14.8166 14.8198 k = 0.4500-0.0012-0.0012 ( 2756 PWs) bands (ev): -45.9197 -45.9197 -22.6540 -22.6538 -22.0185 -22.0182 -21.9816 -21.9816 -14.2895 -14.2895 -6.7234 -6.7228 -5.7968 -5.7968 -5.5520 -5.5508 -0.7386 -0.7369 1.1560 1.1562 1.3073 1.3111 6.4670 6.4684 7.6518 7.6525 7.6703 7.6704 8.2062 8.2207 8.2657 8.2687 8.6352 8.6438 8.7276 8.7330 9.3851 9.3885 9.5113 9.5122 12.8827 12.8836 14.0931 14.0962 14.1882 14.1919 14.8153 14.8180 k = 0.4625-0.0013-0.0013 ( 2756 PWs) bands (ev): -45.9197 -45.9197 -22.6542 -22.6540 -22.0188 -22.0186 -21.9816 -21.9816 -14.2882 -14.2881 -6.7271 -6.7266 -5.7964 -5.7964 -5.5469 -5.5460 -0.7362 -0.7350 1.1582 1.1583 1.3116 1.3145 6.4504 6.4515 7.6456 7.6462 7.6629 7.6631 8.2016 8.2129 8.2583 8.2602 8.6310 8.6376 8.7238 8.7278 9.3800 9.3825 9.5072 9.5079 12.8844 12.8851 14.1091 14.1115 14.2044 14.2073 14.8144 14.8165 k = 0.4750-0.0013-0.0013 ( 2752 PWs) bands (ev): -45.9196 -45.9196 -22.6543 -22.6541 -22.0190 -22.0189 -21.9816 -21.9816 -14.2872 -14.2872 -6.7297 -6.7294 -5.7961 -5.7961 -5.5432 -5.5426 -0.7345 -0.7336 1.1598 1.1599 1.3148 1.3167 6.4385 6.4392 7.6412 7.6416 7.6577 7.6578 8.1988 8.2066 8.2530 8.2541 8.6283 8.6329 8.7214 8.7241 9.3765 9.3781 9.5043 9.5048 12.8857 12.8861 14.1208 14.1224 14.2162 14.2182 14.8138 14.8152 k = 0.4875-0.0013-0.0013 ( 2756 PWs) bands (ev): -45.9196 -45.9196 -22.6543 -22.6543 -22.0192 -22.0191 -21.9816 -21.9816 -14.2867 -14.2866 -6.7313 -6.7311 -5.7960 -5.7960 -5.5410 -5.5407 -0.7334 -0.7329 1.1608 1.1608 1.3169 1.3179 6.4314 6.4318 7.6386 7.6388 7.6545 7.6546 8.1980 8.2020 8.2499 8.2503 8.6272 8.6295 8.7203 8.7216 9.3745 9.3753 9.5026 9.5029 12.8865 12.8867 14.1280 14.1288 14.2236 14.2246 14.8136 14.8143 k = 0.5000-0.0014-0.0014 ( 2750 PWs) bands (ev): -45.9196 -45.9196 -22.6543 -22.6543 -22.0192 -22.0192 -21.9816 -21.9816 -14.2865 -14.2865 -6.7318 -6.7318 -5.7959 -5.7959 -5.5401 -5.5401 -0.7328 -0.7328 1.1611 1.1611 1.3180 1.3180 6.4292 6.4292 7.6378 7.6378 7.6535 7.6535 8.1991 8.1991 8.2490 8.2490 8.6276 8.6276 8.7203 8.7203 9.3741 9.3741 9.5022 9.5022 12.8869 12.8869 14.1306 14.1306 14.2264 14.2264 14.8137 14.8137 k = 0.5000-0.0014-0.0014 ( 2750 PWs) bands (ev): -45.9196 -45.9196 -22.6543 -22.6543 -22.0192 -22.0192 -21.9816 -21.9816 -14.2865 -14.2865 -6.7318 -6.7318 -5.7959 -5.7959 -5.5401 -5.5401 -0.7328 -0.7328 1.1611 1.1611 1.3180 1.3180 6.4292 6.4292 7.6378 7.6378 7.6535 7.6535 8.1991 8.1991 8.2490 8.2490 8.6276 8.6276 8.7203 8.7203 9.3741 9.3741 9.5022 9.5022 12.8869 12.8869 14.1306 14.1306 14.2264 14.2264 14.8137 14.8137 k = 0.5000 0.0075-0.0103 ( 2752 PWs) bands (ev): -45.9196 -45.9196 -22.6544 -22.6543 -22.0192 -22.0191 -21.9817 -21.9816 -14.2863 -14.2863 -6.7311 -6.7309 -5.7960 -5.7956 -5.5406 -5.5404 -0.7343 -0.7317 1.1587 1.1633 1.3166 1.3181 6.4286 6.4292 7.6322 7.6394 7.6516 7.6584 8.1821 8.2016 8.2316 8.2555 8.6202 8.6501 8.7090 8.7424 9.3578 9.3728 9.4997 9.5155 12.8867 12.8890 14.1298 14.1310 14.2259 14.2270 14.8169 14.8180 k = 0.5000 0.0164-0.0192 ( 2752 PWs) bands (ev): -45.9196 -45.9196 -22.6545 -22.6543 -22.0193 -22.0191 -21.9819 -21.9816 -14.2860 -14.2860 -6.7290 -6.7285 -5.7958 -5.7950 -5.5418 -5.5414 -0.7361 -0.7309 1.1562 1.1653 1.3139 1.3169 6.4275 6.4287 7.6252 7.6348 7.6547 7.6636 8.1523 8.1834 8.2116 8.2520 8.6281 8.6829 8.7106 8.7733 9.3303 9.3538 9.5083 9.5335 12.8885 12.8930 14.1285 14.1310 14.2256 14.2278 14.8276 14.8296 k = 0.5000 0.0253-0.0281 ( 2750 PWs) bands (ev): -45.9196 -45.9196 -22.6546 -22.6544 -22.0194 -22.0191 -21.9821 -21.9817 -14.2854 -14.2854 -6.7253 -6.7245 -5.7953 -5.7941 -5.5437 -5.5431 -0.7382 -0.7305 1.1535 1.1671 1.3099 1.3145 6.4259 6.4276 7.6171 7.6276 7.6594 7.6686 8.1121 8.1430 8.1958 8.2410 8.6483 8.7114 8.7350 8.8107 9.2963 9.3235 9.5218 9.5514 12.8924 12.8992 14.1270 14.1305 14.2255 14.2286 14.8455 14.8485 k = 0.5000 0.0341-0.0370 ( 2750 PWs) bands (ev): -45.9196 -45.9196 -22.6548 -22.6545 -22.0195 -22.0192 -21.9825 -21.9820 -14.2846 -14.2846 -6.7201 -6.7191 -5.7945 -5.7930 -5.5464 -5.5455 -0.7407 -0.7305 1.1505 1.1686 1.3048 1.3109 6.4237 6.4261 7.6079 7.6190 7.6641 7.6732 8.0641 8.0920 8.1786 8.2251 8.6772 8.7333 8.7795 8.8523 9.2582 9.2869 9.5354 9.5672 12.8986 12.9074 14.1255 14.1298 14.2256 14.2295 14.8704 14.8743 k = 0.5000 0.0430-0.0459 ( 2748 PWs) bands (ev): -45.9196 -45.9196 -22.6550 -22.6546 -22.0196 -22.0192 -21.9829 -21.9822 -14.2836 -14.2836 -6.7134 -6.7122 -5.7935 -5.7916 -5.5497 -5.5486 -0.7436 -0.7309 1.1470 1.1696 1.2986 1.3062 6.4211 6.4240 7.5973 7.6091 7.6685 7.6774 8.0107 8.0357 8.1597 8.2063 8.7121 8.7602 8.8283 8.8963 9.2172 9.2465 9.5468 9.5797 12.9073 12.9181 14.1240 14.1289 14.2259 14.2304 14.9019 14.9067 k = 0.5000 0.0519-0.0548 ( 2746 PWs) bands (ev): -45.9196 -45.9196 -22.6553 -22.6548 -22.0198 -22.0193 -21.9834 -21.9826 -14.2823 -14.2823 -6.7052 -6.7038 -5.7922 -5.7899 -5.5537 -5.5524 -0.7470 -0.7318 1.1430 1.1698 1.2916 1.3006 6.4181 6.4215 7.5849 7.5977 7.6725 7.6811 7.9540 7.9769 8.1399 8.1859 8.7509 8.7922 8.8777 8.9411 9.1744 9.2040 9.5550 9.5884 12.9188 12.9314 14.1227 14.1281 14.2265 14.2314 14.9396 14.9453 k = 0.5000 0.0608-0.0637 ( 2746 PWs) bands (ev): -45.9196 -45.9196 -22.6556 -22.6550 -22.0200 -22.0194 -21.9840 -21.9831 -14.2809 -14.2808 -6.6956 -6.6939 -5.7906 -5.7880 -5.5582 -5.5567 -0.7509 -0.7333 1.1382 1.1689 1.2841 1.2942 6.4147 6.4185 7.5702 7.5843 7.6759 7.6840 7.8957 7.9179 8.1200 8.1651 8.7923 8.8281 8.9262 8.9851 9.1312 9.1613 9.5597 9.5932 12.9333 12.9475 14.1219 14.1275 14.2274 14.2325 14.9832 14.9895 k = 0.5000 0.0697-0.0726 ( 2750 PWs) bands (ev): -45.9195 -45.9195 -22.6559 -22.6553 -22.0202 -22.0196 -21.9846 -21.9836 -14.2792 -14.2792 -6.6845 -6.6825 -5.7888 -5.7858 -5.5633 -5.5616 -0.7553 -0.7354 1.1324 1.1665 1.2763 1.2872 6.4109 6.4153 7.5523 7.5681 7.6784 7.6862 7.8377 7.8604 8.1005 8.1447 8.8350 8.8665 8.9708 9.0235 9.0905 9.1231 9.5606 9.5940 12.9509 12.9666 14.1215 14.1273 14.2286 14.2339 15.0320 15.0390 k = 0.5000 0.0785-0.0815 ( 2750 PWs) bands (ev): -45.9195 -45.9195 -22.6563 -22.6556 -22.0204 -22.0197 -21.9853 -21.9842 -14.2773 -14.2773 -6.6719 -6.6698 -5.7867 -5.7833 -5.5688 -5.5670 -0.7604 -0.7381 1.1253 1.1622 1.2688 1.2798 6.4069 6.4117 7.5303 7.5480 7.6800 7.6873 7.7823 7.8061 8.0818 8.1250 8.8774 8.9047 8.9988 9.0335 9.0694 9.1117 9.5579 9.5908 12.9720 12.9889 14.1217 14.1275 14.2303 14.2356 15.0857 15.0933 k = 0.5000 0.0874-0.0904 ( 2750 PWs) bands (ev): -45.9195 -45.9195 -22.6567 -22.6559 -22.0207 -22.0199 -21.9861 -21.9849 -14.2752 -14.2752 -6.6580 -6.6557 -5.7844 -5.7807 -5.5748 -5.5728 -0.7661 -0.7417 1.1168 1.1554 1.2617 1.2722 6.4026 6.4078 7.5032 7.5222 7.6804 7.6870 7.7319 7.7567 8.0643 8.1065 8.9128 8.9301 8.9946 9.0106 9.0922 9.1410 9.5518 9.5841 12.9965 13.0145 14.1227 14.1283 14.2325 14.2377 15.1438 15.1519 k = 0.5000 0.0963-0.0993 ( 2742 PWs) bands (ev): -45.9194 -45.9194 -22.6572 -22.6563 -22.0209 -22.0201 -21.9870 -21.9856 -14.2729 -14.2729 -6.6427 -6.6401 -5.7818 -5.7778 -5.5811 -5.5789 -0.7726 -0.7460 1.1065 1.1459 1.2554 1.2646 6.3982 6.4038 7.4701 7.4893 7.6793 7.6831 7.6909 7.7137 8.0480 8.0893 8.9083 8.9175 9.0102 9.0175 9.1323 9.1806 9.5426 9.5740 13.0245 13.0435 14.1243 14.1298 14.2353 14.2404 15.2059 15.2144 k = 0.5000 0.1052-0.1082 ( 2744 PWs) bands (ev): -45.9194 -45.9194 -22.6576 -22.6567 -22.0212 -22.0203 -21.9879 -21.9864 -14.2705 -14.2704 -6.6261 -6.6233 -5.7790 -5.7746 -5.5877 -5.5854 -0.7799 -0.7512 1.0945 1.1336 1.2496 1.2573 6.3938 6.3996 7.4312 7.4489 7.6523 7.6735 7.6782 7.6852 8.0331 8.0734 8.8672 8.8822 9.0455 9.0597 9.1746 9.2214 9.5308 9.5611 13.0561 13.0757 14.1268 14.1321 14.2388 14.2438 15.2716 15.2804 k = 0.5000 0.1141-0.1171 ( 2742 PWs) bands (ev): -45.9194 -45.9194 -22.6581 -22.6571 -22.0215 -22.0205 -21.9889 -21.9873 -14.2678 -14.2678 -6.6081 -6.6051 -5.7760 -5.7713 -5.5946 -5.5920 -0.7880 -0.7574 1.0804 1.1186 1.2438 1.2504 6.3893 6.3953 7.3875 7.4027 7.6242 7.6446 7.6728 7.6791 8.0195 8.0590 8.8215 8.8372 9.0909 9.1061 9.2165 9.2616 9.5169 9.5459 13.0910 13.1112 14.1301 14.1352 14.2430 14.2478 15.3404 15.3495 k = 0.5000 0.1229-0.1260 ( 2740 PWs) bands (ev): -45.9193 -45.9193 -22.6587 -22.6576 -22.0218 -22.0208 -21.9899 -21.9882 -14.2650 -14.2650 -6.5889 -6.5858 -5.7727 -5.7677 -5.6015 -5.5988 -0.7970 -0.7645 1.0645 1.1011 1.2370 1.2445 6.3849 6.3910 7.3409 7.3532 7.6009 7.6182 7.6663 7.6721 8.0071 8.0459 8.7749 8.7900 9.1389 9.1541 9.2572 9.3006 9.5019 9.5291 13.1292 13.1499 14.1343 14.1391 14.2481 14.2528 15.4120 15.4214 k = 0.5000 0.1318-0.1349 ( 2744 PWs) bands (ev): -45.9193 -45.9193 -22.6593 -22.6581 -22.0221 -22.0211 -21.9910 -21.9893 -14.2620 -14.2620 -6.5685 -6.5651 -5.7693 -5.7640 -5.6086 -5.6057 -0.8070 -0.7727 1.0466 1.0815 1.2291 1.2391 6.3805 6.3867 7.2933 7.3027 7.5805 7.5948 7.6578 7.6631 7.9958 8.0340 8.7286 8.7423 9.1878 9.2029 9.2966 9.3380 9.4864 9.5116 13.1705 13.1914 14.1395 14.1440 14.2541 14.2586 15.4861 15.4956 k = 0.5000 0.1407-0.1438 ( 2744 PWs) bands (ev): -45.9193 -45.9193 -22.6599 -22.6586 -22.0224 -22.0213 -21.9922 -21.9903 -14.2589 -14.2589 -6.5469 -6.5434 -5.7656 -5.7600 -5.6156 -5.6126 -0.8180 -0.7820 1.0270 1.0601 1.2202 1.2335 6.3763 6.3824 7.2462 7.2530 7.5616 7.5731 7.6470 7.6520 7.9853 8.0231 8.6828 8.6950 9.2369 9.2519 9.3344 9.3730 9.4722 9.4942 13.2146 13.2357 14.1457 14.1499 14.2610 14.2653 15.5623 15.5719 k = 0.5000 0.1496-0.1527 ( 2748 PWs) bands (ev): -45.9192 -45.9192 -22.6605 -22.6592 -22.0228 -22.0216 -21.9934 -21.9914 -14.2557 -14.2556 -6.5242 -6.5205 -5.7618 -5.7559 -5.6226 -5.6195 -0.8299 -0.7923 1.0057 1.0370 1.2104 1.2270 6.3723 6.3782 7.2009 7.2053 7.5433 7.5524 7.6340 7.6388 7.9756 8.0131 8.6380 8.6484 9.2859 9.3009 9.3702 9.4027 9.4623 9.4789 13.2613 13.2824 14.1529 14.1569 14.2688 14.2730 15.6403 15.6500 k = 0.5000 0.1585-0.1616 ( 2750 PWs) bands (ev): -45.9192 -45.9192 -22.6612 -22.6598 -22.0231 -22.0220 -21.9946 -21.9926 -14.2523 -14.2523 -6.5004 -6.4965 -5.7577 -5.7517 -5.6294 -5.6262 -0.8429 -0.8037 0.9830 1.0127 1.1993 1.2192 6.3684 6.3741 7.1581 7.1605 7.5247 7.5321 7.6188 7.6234 7.9663 8.0038 8.5941 8.6027 9.3343 9.3495 9.4013 9.4188 9.4599 9.4756 13.3103 13.3314 14.1612 14.1649 14.2777 14.2817 15.7198 15.7295 k = 0.5000 0.1673-0.1705 ( 2750 PWs) bands (ev): -45.9191 -45.9191 -22.6618 -22.6604 -22.0235 -22.0223 -21.9959 -21.9938 -14.2488 -14.2488 -6.4756 -6.4716 -5.7535 -5.7472 -5.6359 -5.6327 -0.8568 -0.8163 0.9589 0.9871 1.1868 1.2099 6.3647 6.3700 7.1182 7.1199 7.5052 7.5118 7.6014 7.6061 7.9574 7.9951 8.5512 8.5579 9.3813 9.3967 9.4116 9.4283 9.4629 9.4981 13.3613 13.3822 14.1706 14.1740 14.2875 14.2914 15.8004 15.8101 k = 0.5000 0.1762-0.1795 ( 2748 PWs) bands (ev): -45.9191 -45.9191 -22.6625 -22.6611 -22.0239 -22.0226 -21.9972 -21.9950 -14.2452 -14.2452 -6.4498 -6.4456 -5.7492 -5.7427 -5.6422 -5.6389 -0.8718 -0.8299 0.9336 0.9605 1.1728 1.1988 6.3612 6.3660 7.0812 7.0843 7.4842 7.4912 7.5820 7.5871 7.9488 7.9868 8.5094 8.5141 9.4040 9.4206 9.4341 9.4459 9.4877 9.5285 13.4139 13.4346 14.1811 14.1843 14.2983 14.3021 15.8821 15.8917 k = 0.5000 0.1851-0.1884 ( 2748 PWs) bands (ev): -45.9190 -45.9190 -22.6632 -22.6617 -22.0243 -22.0230 -21.9985 -21.9963 -14.2415 -14.2415 -6.4231 -6.4188 -5.7447 -5.7380 -5.6482 -5.6448 -0.8877 -0.8447 0.9074 0.9330 1.1569 1.1857 6.3578 6.3620 7.0483 7.0535 7.4614 7.4699 7.5609 7.5665 7.9404 7.9790 8.4685 8.4715 9.4004 9.4186 9.4759 9.4902 9.5203 9.5606 13.4679 13.4882 14.1928 14.1958 14.3101 14.3138 15.9643 15.9739 k = 0.5000 0.1940-0.1973 ( 2746 PWs) bands (ev): -45.9190 -45.9190 -22.6639 -22.6624 -22.0246 -22.0233 -21.9999 -21.9976 -14.2377 -14.2377 -6.3956 -6.3912 -5.7401 -5.7332 -5.6537 -5.6503 -0.9046 -0.8605 0.8802 0.9047 1.1391 1.1704 6.3544 6.3579 7.0200 7.0275 7.4368 7.4472 7.5383 7.5447 7.9322 7.9716 8.4286 8.4299 9.3992 9.4159 9.5191 9.5310 9.5567 9.5935 13.5229 13.5429 14.2056 14.2084 14.3228 14.3265 16.0469 16.0564 k = 0.5000 0.2029-0.2062 ( 2746 PWs) bands (ev): -45.9189 -45.9189 -22.6647 -22.6631 -22.0250 -22.0237 -22.0013 -21.9990 -14.2339 -14.2339 -6.3673 -6.3629 -5.7354 -5.7284 -5.6588 -5.6553 -0.9224 -0.8773 0.8523 0.8759 1.1192 1.1528 6.3510 6.3538 6.9965 7.0065 7.4101 7.4226 7.5147 7.5220 7.9243 7.9646 8.3890 8.3903 9.4016 9.4167 9.5600 9.5666 9.5970 9.6272 13.5787 13.5983 14.2195 14.2222 14.3365 14.3401 16.1296 16.1389 k = 0.5000 0.2117-0.2151 ( 2756 PWs) bands (ev): -45.9189 -45.9189 -22.6654 -22.6639 -22.0254 -22.0241 -22.0027 -22.0004 -14.2300 -14.2300 -6.3384 -6.3338 -5.7307 -5.7235 -5.6633 -5.6599 -0.9411 -0.8951 0.8237 0.8464 1.0971 1.1328 6.3474 6.3495 6.9780 6.9907 7.3815 7.3962 7.4901 7.4987 7.9167 7.9580 8.3500 8.3526 9.4081 9.4216 9.5969 9.6001 9.6393 9.6619 13.6349 13.6540 14.2346 14.2371 14.3510 14.3546 16.2120 16.2212 k = 0.5000 0.2206-0.2240 ( 2746 PWs) bands (ev): -45.9188 -45.9188 -22.6662 -22.6645 -22.0258 -22.0244 -22.0041 -22.0017 -14.2261 -14.2260 -6.3088 -6.3042 -5.7258 -5.7185 -5.6672 -5.6639 -0.9607 -0.9139 0.7947 0.8166 1.0728 1.1103 6.3434 6.3451 6.9644 6.9799 7.3511 7.3679 7.4647 7.4750 7.9093 7.9518 8.3124 8.3165 9.4187 9.4307 9.6278 9.6348 9.6816 9.6978 13.6913 13.7099 14.2508 14.2531 14.3664 14.3700 16.2938 16.3029 k = 0.5000 0.2295-0.2329 ( 2746 PWs) bands (ev): -45.9187 -45.9187 -22.6669 -22.6653 -22.0262 -22.0248 -22.0055 -22.0031 -14.2221 -14.2221 -6.2787 -6.2740 -5.7210 -5.7135 -5.6706 -5.6674 -0.9810 -0.9335 0.7653 0.7865 1.0463 1.0855 6.3390 6.3405 6.9553 6.9740 7.3193 7.3381 7.4386 7.4508 7.9021 7.9458 8.2768 8.2821 9.4335 9.4440 9.6569 9.6675 9.7232 9.7344 13.7475 13.7657 14.2681 14.2702 14.3826 14.3861 16.3747 16.3837 k = 0.5000 0.2384-0.2418 ( 2744 PWs) bands (ev): -45.9187 -45.9187 -22.6677 -22.6660 -22.0266 -22.0252 -22.0070 -22.0045 -14.2181 -14.2181 -6.2481 -6.2434 -5.7162 -5.7086 -5.6732 -5.6701 -1.0020 -0.9540 0.7357 0.7562 1.0177 1.0583 6.3339 6.3357 6.9505 6.9725 7.2868 7.3076 7.4116 7.4260 7.8950 7.9401 8.2433 8.2499 9.4521 9.4614 9.6851 9.6982 9.7636 9.7713 13.8035 13.8210 14.2865 14.2884 14.3995 14.4029 16.4543 16.4632 k = 0.5000 0.2473-0.2507 ( 2740 PWs) bands (ev): -45.9186 -45.9186 -22.6684 -22.6668 -22.0270 -22.0255 -22.0084 -22.0059 -14.2141 -14.2141 -6.2172 -6.2124 -5.7115 -5.7038 -5.6750 -5.6723 -1.0237 -0.9752 0.7059 0.7258 0.9869 1.0289 6.3282 6.3304 6.9492 6.9747 7.2545 7.2774 7.3835 7.4007 7.8881 7.9345 8.2126 8.2202 9.4745 9.4826 9.7127 9.7272 9.8027 9.8079 13.8589 13.8758 14.3058 14.3076 14.4170 14.4204 16.5321 16.5410 k = 0.5000 0.2561-0.2596 ( 2736 PWs) bands (ev): -45.9186 -45.9186 -22.6692 -22.6675 -22.0273 -22.0259 -22.0098 -22.0073 -14.2102 -14.2101 -6.1859 -6.1811 -5.7069 -5.6991 -5.6761 -5.6736 -1.0460 -0.9971 0.6761 0.6954 0.9542 0.9972 6.3219 6.3245 6.9502 6.9792 7.2237 7.2488 7.3542 7.3747 7.8813 7.9289 8.1848 8.1933 9.5002 9.5073 9.7397 9.7551 9.8404 9.8438 13.9134 13.9298 14.3261 14.3277 14.4351 14.4385 16.6077 16.6166 k = 0.5000 0.2650-0.2685 ( 2740 PWs) bands (ev): -45.9185 -45.9185 -22.6699 -22.6683 -22.0277 -22.0263 -22.0112 -22.0087 -14.2062 -14.2062 -6.1545 -6.1497 -5.7025 -5.6947 -5.6762 -5.6741 -1.0687 -1.0196 0.6464 0.6651 0.9197 0.9636 6.3150 6.3180 6.9519 6.9839 7.1964 7.2238 7.3237 7.3484 7.8746 7.9233 8.1605 8.1696 9.5290 9.5352 9.7664 9.7821 9.8766 9.8787 13.9670 13.9827 14.3472 14.3487 14.4538 14.4571 16.6805 16.6896 k = 0.5000 0.2739-0.2774 ( 2746 PWs) bands (ev): -45.9185 -45.9185 -22.6707 -22.6691 -22.0281 -22.0268 -22.0126 -22.0101 -14.2023 -14.2023 -6.1230 -6.1182 -5.6985 -5.6907 -5.6755 -5.6735 -1.0919 -1.0426 0.6168 0.6350 0.8836 0.9282 6.3075 6.3107 6.9519 6.9854 7.1748 7.2049 7.2918 7.3223 7.8680 7.9177 8.1397 8.1493 9.5604 9.5657 9.7927 9.8085 9.9111 9.9125 14.0194 14.0345 14.3691 14.3704 14.4728 14.4761 16.7499 16.7593 k = 0.5000 0.2828-0.2863 ( 2748 PWs) bands (ev): -45.9184 -45.9184 -22.6715 -22.6698 -22.0285 -22.0272 -22.0140 -22.0115 -14.1984 -14.1984 -6.0915 -6.0867 -5.6949 -5.6872 -5.6739 -5.6716 -1.1154 -1.0662 0.5876 0.6052 0.8461 0.8912 6.2992 6.3025 6.9478 6.9801 7.1608 7.1951 7.2587 7.2979 7.8618 7.9123 8.1225 8.1323 9.5942 9.5987 9.8187 9.8344 9.9439 9.9450 14.0705 14.0848 14.3917 14.3929 14.4923 14.4955 16.8150 16.8250 k = 0.5000 0.2917-0.2952 ( 2744 PWs) bands (ev): -45.9184 -45.9184 -22.6722 -22.6706 -22.0289 -22.0275 -22.0153 -22.0129 -14.1946 -14.1946 -6.0601 -6.0554 -5.6916 -5.6841 -5.6716 -5.6686 -1.1391 -1.0900 0.5587 0.5758 0.8075 0.8529 6.2901 6.2934 6.9378 6.9663 7.1519 7.1970 7.2245 7.2785 7.8561 7.9071 8.1088 8.1187 9.6299 9.6338 9.8445 9.8599 9.9749 9.9763 14.1200 14.1336 14.4150 14.4160 14.5119 14.5151 16.8751 16.8859 k = 0.5000 0.3005-0.3041 ( 2738 PWs) bands (ev): -45.9183 -45.9183 -22.6729 -22.6713 -22.0292 -22.0279 -22.0166 -22.0142 -14.1908 -14.1908 -6.0289 -6.0242 -5.6885 -5.6813 -5.6685 -5.6649 -1.1630 -1.1142 0.5303 0.5469 0.7680 0.8135 6.2801 6.2834 6.9220 6.9454 7.1414 7.1883 7.2114 7.2692 7.8511 7.9025 8.0984 8.1080 9.6673 9.6705 9.8702 9.8851 10.0043 10.0061 14.1678 14.1808 14.4388 14.4396 14.5318 14.5349 16.9291 16.9411 k = 0.5000 0.3094-0.3130 ( 2746 PWs) bands (ev): -45.9182 -45.9182 -22.6736 -22.6721 -22.0296 -22.0283 -22.0179 -22.0156 -14.1872 -14.1872 -5.9979 -5.9934 -5.6854 -5.6785 -5.6647 -5.6608 -1.1869 -1.1385 0.5025 0.5186 0.7278 0.7733 6.2692 6.2723 6.9016 6.9205 7.1235 7.1525 7.2330 7.2746 7.8471 7.8988 8.0908 8.1001 9.7058 9.7084 9.8958 9.9101 10.0321 10.0343 14.2139 14.2260 14.4630 14.4637 14.5517 14.5547 16.9761 16.9897 k = 0.5000 0.3183-0.3219 ( 2740 PWs) bands (ev): -45.9182 -45.9182 -22.6743 -22.6728 -22.0300 -22.0287 -22.0192 -22.0169 -14.1836 -14.1836 -5.9674 -5.9630 -5.6823 -5.6756 -5.6606 -5.6564 -1.2108 -1.1630 0.4754 0.4909 0.6874 0.7326 6.2572 6.2602 6.8788 6.8938 7.0981 7.1160 7.2600 7.2932 7.8444 7.8965 8.0857 8.0947 9.7453 9.7474 9.9212 9.9350 10.0584 10.0609 14.2580 14.2694 14.4875 14.4880 14.5716 14.5745 17.0151 17.0308 k = 0.5000 0.3272-0.3308 ( 2740 PWs) bands (ev): -45.9181 -45.9181 -22.6749 -22.6735 -22.0303 -22.0291 -22.0204 -22.0181 -14.1801 -14.1801 -5.9375 -5.9332 -5.6788 -5.6725 -5.6562 -5.6520 -1.2345 -1.1874 0.4490 0.4639 0.6469 0.6916 6.2442 6.2470 6.8549 6.8670 7.0679 7.0792 7.2899 7.3208 7.8433 7.8957 8.0826 8.0912 9.7854 9.7870 9.9466 9.9597 10.0831 10.0860 14.3001 14.3106 14.5123 14.5126 14.5915 14.5942 17.0453 17.0635 k = 0.5000 0.3361-0.3397 ( 2744 PWs) bands (ev): -45.9181 -45.9181 -22.6756 -22.6742 -22.0306 -22.0295 -22.0216 -22.0194 -14.1768 -14.1767 -5.9081 -5.9040 -5.6752 -5.6691 -5.6518 -5.6475 -1.2579 -1.2117 0.4234 0.4378 0.6066 0.6507 6.2302 6.2328 6.8312 6.8411 7.0353 7.0425 7.3217 7.3535 7.8440 7.8968 8.0812 8.0895 9.8258 9.8269 9.9719 9.9843 10.1063 10.1095 14.3400 14.3497 14.5371 14.5373 14.6111 14.6137 17.0663 17.0873 k = 0.5000 0.3449-0.3486 ( 2744 PWs) bands (ev): -45.9180 -45.9180 -22.6762 -22.6748 -22.0309 -22.0298 -22.0227 -22.0206 -14.1735 -14.1735 -5.8795 -5.8755 -5.6713 -5.6654 -5.6473 -5.6431 -1.2809 -1.2358 0.3988 0.4126 0.5669 0.6101 6.2151 6.2175 6.8084 6.8166 7.0017 7.0063 7.3544 7.3885 7.8468 7.9000 8.0811 8.0893 9.8661 9.8669 9.9970 10.0088 10.1279 10.1315 14.3777 14.3865 14.5619 14.5620 14.6304 14.6329 17.0782 17.1023 k = 0.5000 0.3538-0.3575 ( 2734 PWs) bands (ev): -45.9180 -45.9180 -22.6768 -22.6754 -22.0312 -22.0302 -22.0237 -22.0216 -14.1704 -14.1704 -5.8517 -5.8480 -5.6671 -5.6615 -5.6428 -5.6388 -1.3034 -1.2596 0.3752 0.3883 0.5279 0.5701 6.1992 6.2012 6.7870 6.7938 6.9679 6.9708 7.3873 7.4241 7.8519 7.9054 8.0821 8.0902 9.9061 9.9065 10.0221 10.0332 10.1481 10.1521 14.4132 14.4211 14.5865 14.5867 14.6493 14.6517 17.0817 17.1088 k = 0.5000 0.3627-0.3664 ( 2744 PWs) bands (ev): -45.9180 -45.9180 -22.6774 -22.6761 -22.0315 -22.0306 -22.0247 -22.0228 -14.1674 -14.1674 -5.8249 -5.8215 -5.6627 -5.6573 -5.6384 -5.6346 -1.3253 -1.2830 0.3526 0.3651 0.4901 0.5309 6.1824 6.1842 6.7673 6.7730 6.9344 6.9363 7.4195 7.4587 7.8596 7.9132 8.0838 8.0919 9.9452 9.9458 10.0469 10.0574 10.1669 10.1711 14.4463 14.4534 14.6106 14.6111 14.6677 14.6701 17.0782 17.1081 k = 0.5000 0.3716-0.3753 ( 2746 PWs) bands (ev): -45.9179 -45.9179 -22.6779 -22.6767 -22.0318 -22.0309 -22.0257 -22.0238 -14.1646 -14.1646 -5.7992 -5.7961 -5.6582 -5.6531 -5.6341 -5.6305 -1.3465 -1.3058 0.3312 0.3430 0.4535 0.4928 6.1651 6.1666 6.7494 6.7542 6.9018 6.9031 7.4503 7.4915 7.8702 7.9232 8.0862 8.0944 9.9834 9.9842 10.0715 10.0814 10.1842 10.1888 14.4771 14.4833 14.6344 14.6350 14.6856 14.6878 17.0691 17.1014 k = 0.5000 0.3805-0.3842 ( 2744 PWs) bands (ev): -45.9179 -45.9179 -22.6784 -22.6773 -22.0321 -22.0313 -22.0266 -22.0248 -14.1620 -14.1619 -5.7746 -5.7719 -5.6536 -5.6487 -5.6298 -5.6265 -1.3668 -1.3279 0.3109 0.3220 0.4185 0.4561 6.1473 6.1487 6.7333 6.7375 6.8703 6.8714 7.4792 7.5214 7.8837 7.9355 8.0891 8.0974 10.0203 10.0215 10.0957 10.1051 10.2002 10.2051 14.5056 14.5110 14.6574 14.6583 14.7028 14.7049 17.0561 17.0903 k = 0.5000 0.3893-0.3932 ( 2748 PWs) bands (ev): -45.9178 -45.9178 -22.6789 -22.6778 -22.0324 -22.0316 -22.0274 -22.0257 -14.1595 -14.1594 -5.7514 -5.7491 -5.6489 -5.6443 -5.6257 -5.6227 -1.3861 -1.3492 0.2919 0.3023 0.3852 0.4210 6.1295 6.1306 6.7190 6.7226 6.8402 6.8414 7.5058 7.5480 7.9001 7.9496 8.0923 8.1008 10.0558 10.0574 10.1194 10.1283 10.2147 10.2201 14.5318 14.5364 14.6796 14.6806 14.7193 14.7212 17.0407 17.0763 k = 0.5000 0.3982-0.4021 ( 2752 PWs) bands (ev): -45.9178 -45.9178 -22.6794 -22.6784 -22.0326 -22.0320 -22.0281 -22.0266 -14.1571 -14.1571 -5.7295 -5.7278 -5.6443 -5.6399 -5.6218 -5.6190 -1.4044 -1.3696 0.2743 0.2838 0.3539 0.3876 6.1118 6.1127 6.7065 6.7096 6.8118 6.8132 7.5298 7.5709 7.9190 7.9654 8.0956 8.1044 10.0895 10.0915 10.1425 10.1509 10.2280 10.2338 14.5558 14.5596 14.7008 14.7019 14.7349 14.7367 17.0244 17.0608 k = 0.5000 0.4071-0.4110 ( 2752 PWs) bands (ev): -45.9178 -45.9178 -22.6798 -22.6788 -22.0329 -22.0323 -22.0288 -22.0274 -14.1550 -14.1550 -5.7093 -5.7081 -5.6397 -5.6355 -5.6179 -5.6156 -1.4214 -1.3890 0.2580 0.2667 0.3248 0.3562 6.0945 6.0952 6.6956 6.6983 6.7855 6.7868 7.5510 7.5901 7.9400 7.9823 8.0990 8.1082 10.1212 10.1237 10.1647 10.1729 10.2401 10.2463 14.5776 14.5807 14.7208 14.7219 14.7496 14.7513 17.0082 17.0450 k = 0.5000 0.4160-0.4199 ( 2752 PWs) bands (ev): -45.9178 -45.9178 -22.6801 -22.6793 -22.0331 -22.0327 -22.0293 -22.0281 -14.1530 -14.1530 -5.6908 -5.6900 -5.6353 -5.6310 -5.6143 -5.6123 -1.4370 -1.4072 0.2431 0.2510 0.2980 0.3270 6.0779 6.0784 6.6862 6.6885 6.7611 6.7626 7.5697 7.6059 7.9623 7.9998 8.1024 8.1119 10.1506 10.1536 10.1860 10.1939 10.2509 10.2577 14.5972 14.5998 14.7393 14.7405 14.7633 14.7649 16.9932 17.0298 k = 0.5000 0.4249-0.4288 ( 2748 PWs) bands (ev): -45.9177 -45.9177 -22.6804 -22.6797 -22.0333 -22.0330 -22.0298 -22.0287 -14.1512 -14.1512 -5.6747 -5.6735 -5.6310 -5.6265 -5.6108 -5.6091 -1.4513 -1.4241 0.2296 0.2367 0.2738 0.3001 6.0622 6.0626 6.6781 6.6802 6.7391 6.7405 7.5859 7.6186 7.9850 8.0172 8.1057 8.1156 10.1775 10.1810 10.2061 10.2137 10.2605 10.2679 14.6146 14.6168 14.7564 14.7575 14.7759 14.7774 16.9800 17.0158 k = 0.5000 0.4337-0.4377 ( 2746 PWs) bands (ev): -45.9177 -45.9177 -22.6807 -22.6800 -22.0336 -22.0333 -22.0302 -22.0292 -14.1496 -14.1496 -5.6610 -5.6589 -5.6269 -5.6217 -5.6076 -5.6062 -1.4639 -1.4397 0.2177 0.2239 0.2521 0.2757 6.0478 6.0480 6.6713 6.6731 6.7193 6.7206 7.5997 7.6286 8.0074 8.0340 8.1088 8.1191 10.2016 10.2056 10.2249 10.2323 10.2690 10.2771 14.6301 14.6317 14.7717 14.7727 14.7875 14.7887 16.9693 17.0036 k = 0.5000 0.4426-0.4466 ( 2742 PWs) bands (ev): -45.9177 -45.9177 -22.6809 -22.6803 -22.0337 -22.0336 -22.0305 -22.0297 -14.1482 -14.1482 -5.6499 -5.6466 -5.6226 -5.6166 -5.6046 -5.6035 -1.4750 -1.4537 0.2073 0.2126 0.2332 0.2539 6.0347 6.0349 6.6657 6.6671 6.7019 6.7031 7.6115 7.6364 8.0286 8.0496 8.1116 8.1224 10.2226 10.2271 10.2422 10.2492 10.2765 10.2853 14.6435 14.6448 14.7853 14.7861 14.7978 14.7989 16.9614 16.9932 k = 0.5000 0.4515-0.4555 ( 2754 PWs) bands (ev): -45.9177 -45.9177 -22.6812 -22.6807 -22.0340 -22.0339 -22.0308 -22.0301 -14.1470 -14.1470 -5.6413 -5.6372 -5.6178 -5.6112 -5.6019 -5.6009 -1.4843 -1.4662 0.1985 0.2028 0.2172 0.2348 6.0232 6.0233 6.6610 6.6622 6.6870 6.6881 7.6215 7.6423 8.0480 8.0635 8.1142 8.1253 10.2404 10.2453 10.2578 10.2642 10.2831 10.2926 14.6548 14.6558 14.7969 14.7975 14.8069 14.8078 16.9565 16.9845 k = 0.5000 0.4604-0.4644 ( 2764 PWs) bands (ev): -45.9177 -45.9177 -22.6814 -22.6810 -22.0342 -22.0341 -22.0310 -22.0305 -14.1460 -14.1460 -5.6351 -5.6310 -5.6124 -5.6060 -5.5995 -5.5984 -1.4918 -1.4770 0.1912 0.1945 0.2041 0.2186 6.0134 6.0135 6.6573 6.6583 6.6746 6.6755 7.6297 7.6466 8.0651 8.0753 8.1166 8.1277 10.2548 10.2601 10.2714 10.2767 10.2893 10.2989 14.6642 14.6650 14.8064 14.8069 14.8148 14.8154 16.9546 16.9771 k = 0.5000 0.4693-0.4733 ( 2780 PWs) bands (ev): -45.9177 -45.9177 -22.6816 -22.6813 -22.0344 -22.0344 -22.0312 -22.0308 -14.1452 -14.1452 -5.6307 -5.6273 -5.6072 -5.6018 -5.5970 -5.5960 -1.4975 -1.4860 0.1856 0.1878 0.1940 0.2052 6.0055 6.0055 6.6544 6.6552 6.6647 6.6654 7.6365 7.6493 8.0792 8.0849 8.1188 8.1294 10.2659 10.2713 10.2824 10.2859 10.2958 10.3042 14.6716 14.6722 14.8139 14.8142 14.8213 14.8216 16.9553 16.9704 k = 0.5000 0.4781-0.4822 ( 2796 PWs) bands (ev): -45.9177 -45.9177 -22.6817 -22.6815 -22.0347 -22.0346 -22.0314 -22.0311 -14.1446 -14.1446 -5.6276 -5.6253 -5.6031 -5.5995 -5.5943 -5.5938 -1.5012 -1.4931 0.1816 0.1828 0.1868 0.1949 5.9996 5.9996 6.6524 6.6529 6.6575 6.6580 7.6419 7.6508 8.0898 8.0921 8.1212 8.1302 10.2741 10.2788 10.2905 10.2920 10.3024 10.3084 14.6771 14.6775 14.8193 14.8194 14.8262 14.8264 16.9574 16.9645 k = 0.5000 0.4870-0.4911 ( 2800 PWs) bands (ev): -45.9176 -45.9176 -22.6818 -22.6817 -22.0348 -22.0348 -22.0314 -22.0313 -14.1442 -14.1442 -5.6256 -5.6243 -5.6004 -5.5985 -5.5920 -5.5919 -1.5030 -1.4984 0.1792 0.1795 0.1828 0.1875 5.9958 5.9958 6.6511 6.6513 6.6530 6.6532 7.6459 7.6510 8.0964 8.0968 8.1239 8.1298 10.2797 10.2826 10.2956 10.2959 10.3077 10.3109 14.6807 14.6809 14.8227 14.8228 14.8295 14.8296 16.9588 16.9603 k = 0.5000 0.4959-0.5000 ( 2800 PWs) bands (ev): -45.9176 -45.9176 -22.6818 -22.6817 -22.0348 -22.0348 -22.0314 -22.0314 -14.1441 -14.1441 -5.6245 -5.6242 -5.5989 -5.5985 -5.5909 -5.5909 -1.5028 -1.5017 0.1781 0.1781 0.1820 0.1831 5.9940 5.9940 6.6502 6.6503 6.6513 6.6513 7.6488 7.6500 8.0991 8.0991 8.1267 8.1282 10.2828 10.2835 10.2978 10.2978 10.3108 10.3116 14.6823 14.6823 14.8242 14.8242 14.8310 14.8310 16.9583 16.9584 k = 0.5027 0.4986 0.4945 ( 2800 PWs) bands (ev): -45.9176 -45.9176 -22.6818 -22.6817 -22.0348 -22.0348 -22.0314 -22.0314 -14.1441 -14.1441 -5.6245 -5.6242 -5.5989 -5.5985 -5.5909 -5.5909 -1.5028 -1.5017 0.1781 0.1781 0.1820 0.1831 5.9940 5.9940 6.6502 6.6503 6.6513 6.6513 7.6488 7.6500 8.0991 8.0991 8.1267 8.1282 10.2828 10.2835 10.2978 10.2978 10.3108 10.3116 14.6823 14.6823 14.8242 14.8242 14.8310 14.8310 16.9583 16.9583 k = 0.5000 0.4986 0.4973 ( 2800 PWs) bands (ev): -45.9176 -45.9176 -22.6818 -22.6818 -22.0348 -22.0348 -22.0314 -22.0314 -14.1441 -14.1441 -5.6243 -5.6243 -5.5986 -5.5986 -5.5909 -5.5909 -1.5024 -1.5024 0.1781 0.1781 0.1824 0.1824 5.9939 5.9939 6.6502 6.6502 6.6512 6.6512 7.6495 7.6495 8.0992 8.0992 8.1275 8.1275 10.2833 10.2833 10.2979 10.2979 10.3113 10.3113 14.6824 14.6824 14.8243 14.8243 14.8311 14.8311 16.9582 16.9583 k = 0.5000 0.4986 0.4973 ( 2800 PWs) bands (ev): -45.9176 -45.9176 -22.6818 -22.6818 -22.0348 -22.0348 -22.0314 -22.0314 -14.1441 -14.1441 -5.6243 -5.6243 -5.5986 -5.5986 -5.5909 -5.5909 -1.5024 -1.5024 0.1781 0.1781 0.1824 0.1824 5.9939 5.9939 6.6502 6.6502 6.6512 6.6512 7.6495 7.6495 8.0992 8.0992 8.1275 8.1275 10.2833 10.2833 10.2979 10.2979 10.3113 10.3113 14.6824 14.6824 14.8243 14.8243 14.8311 14.8311 16.9582 16.9584 k = 0.4926 0.4913 0.4900 ( 2800 PWs) bands (ev): -45.9176 -45.9176 -22.6817 -22.6817 -22.0348 -22.0348 -22.0314 -22.0314 -14.1442 -14.1442 -5.6249 -5.6249 -5.5993 -5.5993 -5.5911 -5.5911 -1.5014 -1.5014 0.1788 0.1789 0.1841 0.1841 5.9953 5.9953 6.6509 6.6509 6.6520 6.6520 7.6490 7.6490 8.0990 8.0991 8.1256 8.1256 10.2817 10.2817 10.2962 10.2963 10.3106 10.3106 14.6816 14.6816 14.8233 14.8234 14.8301 14.8301 16.9603 16.9609 k = 0.4853 0.4840 0.4826 ( 2800 PWs) bands (ev): -45.9177 -45.9177 -22.6817 -22.6817 -22.0347 -22.0347 -22.0313 -22.0313 -14.1445 -14.1445 -5.6270 -5.6270 -5.6012 -5.6012 -5.5917 -5.5917 -1.4984 -1.4984 0.1812 0.1812 0.1889 0.1889 5.9992 5.9992 6.6532 6.6532 6.6542 6.6543 7.6475 7.6475 8.0982 8.0984 8.1202 8.1202 10.2771 10.2771 10.2913 10.2915 10.3083 10.3083 14.6791 14.6791 14.8202 14.8205 14.8271 14.8271 16.9670 16.9681 k = 0.4779 0.4766 0.4753 ( 2800 PWs) bands (ev): -45.9177 -45.9177 -22.6816 -22.6816 -22.0346 -22.0346 -22.0312 -22.0312 -14.1450 -14.1450 -5.6307 -5.6307 -5.6041 -5.6041 -5.5927 -5.5927 -1.4934 -1.4934 0.1852 0.1852 0.1971 0.1971 6.0058 6.0058 6.6569 6.6569 6.6579 6.6581 7.6449 7.6449 8.0970 8.0972 8.1112 8.1112 10.2694 10.2694 10.2832 10.2835 10.3047 10.3047 14.6749 14.6749 14.8152 14.8156 14.8222 14.8222 16.9783 16.9800 k = 0.4706 0.4693 0.4680 ( 2800 PWs) bands (ev): -45.9177 -45.9177 -22.6814 -22.6814 -22.0344 -22.0344 -22.0310 -22.0310 -14.1458 -14.1458 -5.6364 -5.6364 -5.6075 -5.6075 -5.5941 -5.5941 -1.4865 -1.4865 0.1907 0.1907 0.2084 0.2084 6.0151 6.0151 6.6621 6.6621 6.6632 6.6634 7.6413 7.6413 8.0953 8.0956 8.0990 8.0990 10.2586 10.2586 10.2721 10.2724 10.2999 10.2999 14.6692 14.6692 14.8082 14.8087 14.8152 14.8152 16.9939 16.9961 k = 0.4632 0.4620 0.4607 ( 2764 PWs) bands (ev): -45.9177 -45.9177 -22.6810 -22.6810 -22.0341 -22.0341 -22.0305 -22.0305 -14.1468 -14.1468 -5.6443 -5.6443 -5.6112 -5.6112 -5.5959 -5.5959 -1.4778 -1.4778 0.1978 0.1978 0.2229 0.2229 6.0269 6.0269 6.6688 6.6688 6.6699 6.6703 7.6365 7.6365 8.0838 8.0838 8.0932 8.0936 10.2447 10.2447 10.2580 10.2584 10.2938 10.2938 14.6618 14.6618 14.7992 14.7999 14.8064 14.8064 17.0133 17.0162 k = 0.4559 0.4546 0.4534 ( 2734 PWs) bands (ev): -45.9177 -45.9177 -22.6807 -22.6807 -22.0336 -22.0336 -22.0301 -22.0301 -14.1480 -14.1480 -5.6546 -5.6546 -5.6149 -5.6149 -5.5981 -5.5981 -1.4673 -1.4673 0.2064 0.2064 0.2404 0.2404 6.0412 6.0412 6.6769 6.6769 6.6781 6.6786 7.6304 7.6304 8.0660 8.0660 8.0906 8.0911 10.2280 10.2280 10.2411 10.2416 10.2866 10.2866 14.6528 14.6528 14.7883 14.7891 14.7956 14.7956 17.0365 17.0399 k = 0.4485 0.4473 0.4461 ( 2734 PWs) bands (ev): -45.9177 -45.9177 -22.6804 -22.6804 -22.0333 -22.0333 -22.0298 -22.0298 -14.1494 -14.1494 -5.6672 -5.6672 -5.6186 -5.6186 -5.6007 -5.6007 -1.4551 -1.4551 0.2165 0.2165 0.2609 0.2609 6.0580 6.0580 6.6865 6.6865 6.6878 6.6883 7.6228 7.6228 8.0460 8.0460 8.0876 8.0882 10.2086 10.2086 10.2217 10.2222 10.2782 10.2782 14.6423 14.6423 14.7755 14.7764 14.7828 14.7828 17.0629 17.0669 k = 0.4412 0.4400 0.4388 ( 2743 PWs) bands (ev): -45.9177 -45.9177 -22.6801 -22.6801 -22.0329 -22.0329 -22.0295 -22.0295 -14.1510 -14.1510 -5.6819 -5.6819 -5.6225 -5.6225 -5.6037 -5.6037 -1.4413 -1.4413 0.2280 0.2280 0.2843 0.2843 6.0772 6.0772 6.6974 6.6974 6.6989 6.6995 7.6137 7.6137 8.0244 8.0244 8.0841 8.0848 10.1866 10.1866 10.1999 10.2005 10.2687 10.2687 14.6302 14.6302 14.7608 14.7618 14.7682 14.7682 17.0918 17.0963 k = 0.4338 0.4326 0.4315 ( 2743 PWs) bands (ev): -45.9177 -45.9177 -22.6797 -22.6797 -22.0325 -22.0325 -22.0291 -22.0291 -14.1528 -14.1528 -5.6985 -5.6985 -5.6265 -5.6265 -5.6070 -5.6070 -1.4260 -1.4260 0.2409 0.2409 0.3105 0.3105 6.0986 6.0986 6.7098 6.7098 6.7114 6.7121 7.6028 7.6028 8.0018 8.0018 8.0803 8.0811 10.1624 10.1624 10.1760 10.1766 10.2580 10.2580 14.6166 14.6166 14.7442 14.7454 14.7517 14.7517 17.1226 17.1277 k = 0.4265 0.4253 0.4241 ( 2743 PWs) bands (ev): -45.9178 -45.9178 -22.6793 -22.6793 -22.0320 -22.0320 -22.0287 -22.0287 -14.1548 -14.1548 -5.7167 -5.7167 -5.6307 -5.6307 -5.6106 -5.6106 -1.4094 -1.4094 0.2551 0.2551 0.3393 0.3393 6.1223 6.1223 6.7236 6.7236 6.7254 6.7261 7.5899 7.5899 7.9788 7.9788 8.0761 8.0770 10.1363 10.1363 10.1502 10.1509 10.2462 10.2462 14.6016 14.6016 14.7258 14.7271 14.7334 14.7334 17.1546 17.1602 k = 0.4191 0.4180 0.4168 ( 2743 PWs) bands (ev): -45.9178 -45.9178 -22.6789 -22.6789 -22.0315 -22.0315 -22.0282 -22.0282 -14.1571 -14.1571 -5.7365 -5.7365 -5.6351 -5.6351 -5.6145 -5.6145 -1.3915 -1.3915 0.2706 0.2706 0.3705 0.3705 6.1480 6.1480 6.7387 6.7387 6.7407 6.7415 7.5750 7.5750 7.9561 7.9561 8.0716 8.0726 10.1084 10.1084 10.1229 10.1237 10.2334 10.2334 14.5851 14.5851 14.7055 14.7070 14.7133 14.7133 17.1867 17.1928 k = 0.4118 0.4106 0.4095 ( 2749 PWs) bands (ev): -45.9178 -45.9178 -22.6784 -22.6784 -22.0310 -22.0310 -22.0277 -22.0277 -14.1595 -14.1595 -5.7577 -5.7577 -5.6398 -5.6398 -5.6188 -5.6188 -1.3726 -1.3726 0.2873 0.2873 0.4040 0.4040 6.1757 6.1757 6.7551 6.7551 6.7573 6.7583 7.5580 7.5580 7.9342 7.9342 8.0667 8.0679 10.0790 10.0790 10.0943 10.0951 10.2195 10.2195 14.5672 14.5672 14.6835 14.6851 14.6914 14.6914 17.2180 17.2246 k = 0.4044 0.4033 0.4022 ( 2743 PWs) bands (ev): -45.9179 -45.9179 -22.6778 -22.6778 -22.0303 -22.0303 -22.0270 -22.0270 -14.1621 -14.1621 -5.7801 -5.7801 -5.6446 -5.6446 -5.6233 -5.6233 -1.3526 -1.3526 0.3051 0.3052 0.4397 0.4397 6.2051 6.2051 6.7728 6.7728 6.7753 6.7763 7.5388 7.5388 7.9138 7.9138 8.0616 8.0629 10.0485 10.0485 10.0646 10.0655 10.2046 10.2046 14.5479 14.5479 14.6597 14.6615 14.6678 14.6678 17.2473 17.2543 k = 0.3971 0.3960 0.3949 ( 2743 PWs) bands (ev): -45.9179 -45.9179 -22.6773 -22.6773 -22.0297 -22.0297 -22.0264 -22.0264 -14.1650 -14.1650 -5.8035 -5.8035 -5.6497 -5.6497 -5.6281 -5.6281 -1.3319 -1.3319 0.3240 0.3241 0.4772 0.4772 6.2361 6.2361 6.7917 6.7917 6.7945 6.7956 7.5178 7.5178 7.8952 7.8952 8.0563 8.0578 10.0171 10.0171 10.0343 10.0351 10.1887 10.1887 14.5272 14.5272 14.6343 14.6361 14.6425 14.6425 17.2735 17.2808 k = 0.3897 0.3886 0.3876 ( 2746 PWs) bands (ev): -45.9180 -45.9180 -22.6767 -22.6767 -22.0290 -22.0290 -22.0258 -22.0258 -14.1680 -14.1680 -5.8279 -5.8279 -5.6550 -5.6550 -5.6331 -5.6331 -1.3104 -1.3104 0.3439 0.3440 0.5164 0.5164 6.2684 6.2684 6.8119 6.8119 6.8149 6.8162 7.4953 7.4953 7.8786 7.8786 8.0509 8.0524 9.9850 9.9850 10.0035 10.0043 10.1719 10.1719 14.5052 14.5052 14.6073 14.6092 14.6157 14.6157 17.2954 17.3030 k = 0.3824 0.3813 0.3803 ( 2746 PWs) bands (ev): -45.9180 -45.9180 -22.6760 -22.6760 -22.0282 -22.0282 -22.0251 -22.0251 -14.1712 -14.1712 -5.8530 -5.8530 -5.6605 -5.6605 -5.6383 -5.6383 -1.2884 -1.2884 0.3647 0.3648 0.5570 0.5570 6.3017 6.3017 6.8332 6.8332 6.8366 6.8380 7.4720 7.4720 7.8643 7.8643 8.0453 8.0470 9.9525 9.9525 9.9725 9.9734 10.1541 10.1541 14.4819 14.4819 14.5786 14.5807 14.5872 14.5872 17.3114 17.3190 k = 0.3750 0.3740 0.3730 ( 2740 PWs) bands (ev): -45.9181 -45.9181 -22.6753 -22.6753 -22.0274 -22.0274 -22.0243 -22.0243 -14.1747 -14.1747 -5.8787 -5.8787 -5.6661 -5.6661 -5.6437 -5.6437 -1.2660 -1.2660 0.3863 0.3864 0.5989 0.5989 6.3357 6.3357 6.8556 6.8556 6.8594 6.8609 7.4486 7.4486 7.8522 7.8522 8.0397 8.0416 9.9199 9.9199 9.9416 9.9425 10.1356 10.1356 14.4572 14.4572 14.5484 14.5506 14.5573 14.5573 17.3210 17.3285 k = 0.3676 0.3666 0.3656 ( 2740 PWs) bands (ev): -45.9181 -45.9181 -22.6746 -22.6746 -22.0266 -22.0266 -22.0235 -22.0235 -14.1782 -14.1782 -5.9049 -5.9049 -5.6719 -5.6719 -5.6493 -5.6493 -1.2433 -1.2433 0.4086 0.4087 0.6416 0.6416 6.3701 6.3701 6.8791 6.8791 6.8833 6.8850 7.4261 7.4261 7.8423 7.8423 8.0342 8.0363 9.8874 9.8874 9.9110 9.9119 10.1163 10.1163 14.4313 14.4313 14.5168 14.5191 14.5259 14.5259 17.3233 17.3306 k = 0.3603 0.3593 0.3583 ( 2728 PWs) bands (ev): -45.9181 -45.9181 -22.6738 -22.6738 -22.0257 -22.0257 -22.0227 -22.0227 -14.1820 -14.1820 -5.9315 -5.9315 -5.6778 -5.6778 -5.6550 -5.6550 -1.2203 -1.2203 0.4315 0.4316 0.6850 0.6850 6.4043 6.4043 6.9036 6.9036 6.9083 6.9101 7.4053 7.4053 7.8344 7.8344 8.0288 8.0311 9.8552 9.8552 9.8810 9.8818 10.0962 10.0962 14.4040 14.4040 14.4837 14.4862 14.4931 14.4931 17.3178 17.3247 k = 0.3529 0.3520 0.3510 ( 2734 PWs) bands (ev): -45.9182 -45.9182 -22.6731 -22.6731 -22.0248 -22.0248 -22.0218 -22.0218 -14.1860 -14.1860 -5.9582 -5.9582 -5.6838 -5.6838 -5.6609 -5.6609 -1.1974 -1.1974 0.4550 0.4551 0.7287 0.7287 6.4379 6.4379 6.9291 6.9291 6.9342 6.9362 7.3875 7.3875 7.8285 7.8285 8.0237 8.0262 9.8236 9.8236 9.8518 9.8526 10.0754 10.0754 14.3756 14.3756 14.4493 14.4519 14.4590 14.4590 17.3045 17.3108 k = 0.3456 0.3446 0.3437 ( 2728 PWs) bands (ev): -45.9183 -45.9183 -22.6723 -22.6723 -22.0239 -22.0239 -22.0209 -22.0209 -14.1901 -14.1901 -5.9851 -5.9851 -5.6898 -5.6898 -5.6668 -5.6668 -1.1745 -1.1745 0.4788 0.4789 0.7725 0.7725 6.4704 6.4704 6.9555 6.9555 6.9611 6.9633 7.3736 7.3736 7.8243 7.8243 8.0189 8.0216 9.7928 9.7928 9.8235 9.8242 10.0540 10.0540 14.3458 14.3458 14.4137 14.4163 14.4236 14.4236 17.2838 17.2894 k = 0.3382 0.3373 0.3364 ( 2740 PWs) bands (ev): -45.9183 -45.9183 -22.6715 -22.6715 -22.0230 -22.0230 -22.0201 -22.0201 -14.1944 -14.1944 -6.0119 -6.0119 -5.6959 -5.6959 -5.6729 -5.6729 -1.1518 -1.1518 0.5030 0.5031 0.8160 0.8160 6.5012 6.5012 6.9827 6.9827 6.9889 6.9912 7.3647 7.3647 7.8219 7.8219 8.0146 8.0175 9.7629 9.7629 9.7963 9.7971 10.0320 10.0320 14.3149 14.3149 14.3768 14.3795 14.3871 14.3871 17.2561 17.2611 k = 0.3309 0.3300 0.3291 ( 2737 PWs) bands (ev): -45.9184 -45.9184 -22.6707 -22.6707 -22.0220 -22.0220 -22.0192 -22.0192 -14.1989 -14.1989 -6.0386 -6.0386 -5.7021 -5.7021 -5.6790 -5.6790 -1.1294 -1.1294 0.5274 0.5275 0.8589 0.8589 6.5299 6.5299 7.0108 7.0108 7.0176 7.0201 7.3617 7.3617 7.8212 7.8212 8.0108 8.0140 9.7341 9.7341 9.7705 9.7712 10.0094 10.0094 14.2827 14.2827 14.3387 14.3416 14.3494 14.3494 17.2222 17.2265 k = 0.3235 0.3226 0.3218 ( 2737 PWs) bands (ev): -45.9184 -45.9184 -22.6698 -22.6698 -22.0210 -22.0210 -22.0182 -22.0182 -14.2035 -14.2035 -6.0650 -6.0650 -5.7082 -5.7082 -5.6851 -5.6851 -1.1074 -1.1074 0.5519 0.5520 0.9010 0.9010 6.5560 6.5560 7.0396 7.0396 7.0470 7.0497 7.3655 7.3655 7.8220 7.8220 8.0077 8.0112 9.7066 9.7066 9.7462 9.7468 9.9864 9.9864 14.2494 14.2494 14.2996 14.3026 14.3108 14.3108 17.1827 17.1863 k = 0.3162 0.3153 0.3145 ( 2743 PWs) bands (ev): -45.9185 -45.9185 -22.6689 -22.6689 -22.0200 -22.0200 -22.0172 -22.0172 -14.2083 -14.2083 -6.0911 -6.0911 -5.7143 -5.7143 -5.6913 -5.6913 -1.0859 -1.0859 0.5764 0.5765 0.9418 0.9418 6.5796 6.5796 7.0691 7.0691 7.0772 7.0801 7.3766 7.3766 7.8245 7.8245 8.0055 8.0092 9.6806 9.6806 9.7234 9.7240 9.9630 9.9630 14.2149 14.2149 14.2596 14.2626 14.2712 14.2712 17.1383 17.1411 k = 0.3088 0.3080 0.3071 ( 2743 PWs) bands (ev): -45.9186 -45.9186 -22.6680 -22.6680 -22.0190 -22.0190 -22.0162 -22.0162 -14.2132 -14.2132 -6.1167 -6.1167 -5.7203 -5.7203 -5.6974 -5.6974 -1.0650 -1.0650 0.6008 0.6009 0.9813 0.9813 6.6005 6.6005 7.0993 7.0993 7.1080 7.1112 7.3952 7.3952 7.8286 7.8286 8.0041 8.0082 9.6561 9.6561 9.7023 9.7028 9.9392 9.9392 14.1793 14.1793 14.2186 14.2218 14.2307 14.2307 17.0896 17.0908 k = 0.3015 0.3006 0.2998 ( 2737 PWs) bands (ev): -45.9186 -45.9186 -22.6671 -22.6671 -22.0179 -22.0179 -22.0151 -22.0151 -14.2183 -14.2183 -6.1418 -6.1418 -5.7263 -5.7263 -5.7035 -5.7035 -1.0448 -1.0448 0.6249 0.6250 1.0189 1.0189 6.6194 6.6194 7.1301 7.1301 7.1395 7.1429 7.4212 7.4212 7.8342 7.8342 8.0039 8.0083 9.6334 9.6334 9.6830 9.6835 9.9151 9.9151 14.1425 14.1425 14.1767 14.1800 14.1894 14.1894 17.0371 17.0371 k = 0.2941 0.2933 0.2925 ( 2737 PWs) bands (ev): -45.9187 -45.9187 -22.6661 -22.6661 -22.0168 -22.0168 -22.0141 -22.0141 -14.2235 -14.2235 -6.1663 -6.1663 -5.7322 -5.7322 -5.7096 -5.7096 -1.0253 -1.0253 0.6488 0.6489 1.0545 1.0545 6.6367 6.6367 7.1614 7.1614 7.1716 7.1752 7.4543 7.4543 7.8415 7.8415 8.0049 8.0095 9.6124 9.6124 9.6655 9.6659 9.8907 9.8907 14.1047 14.1047 14.1342 14.1375 14.1475 14.1475 16.9802 16.9803 k = 0.2868 0.2860 0.2852 ( 2743 PWs) bands (ev): -45.9188 -45.9188 -22.6652 -22.6652 -22.0157 -22.0157 -22.0131 -22.0131 -14.2288 -14.2288 -6.1901 -6.1901 -5.7380 -5.7380 -5.7156 -5.7156 -1.0068 -1.0068 0.6722 0.6723 1.0878 1.0878 6.6533 6.6533 7.1932 7.1932 7.2041 7.2080 7.4939 7.4939 7.8504 7.8504 8.0071 8.0121 9.5933 9.5933 9.6500 9.6503 9.8661 9.8661 14.0659 14.0659 14.0909 14.0944 14.1049 14.1049 16.9208 16.9208 k = 0.2794 0.2786 0.2779 ( 2743 PWs) bands (ev): -45.9188 -45.9188 -22.6643 -22.6643 -22.0146 -22.0146 -22.0120 -22.0120 -14.2343 -14.2343 -6.2131 -6.2131 -5.7437 -5.7437 -5.7216 -5.7216 -0.9891 -0.9891 0.6951 0.6952 1.1186 1.1186 6.6699 6.6699 7.2254 7.2254 7.2372 7.2413 7.5393 7.5394 7.8610 7.8610 8.0108 8.0162 9.5761 9.5761 9.6363 9.6367 9.8414 9.8414 14.0261 14.0261 14.0470 14.0506 14.0618 14.0618 16.8590 16.8590 k = 0.2721 0.2713 0.2706 ( 2743 PWs) bands (ev): -45.9189 -45.9189 -22.6633 -22.6633 -22.0135 -22.0135 -22.0109 -22.0109 -14.2399 -14.2399 -6.2354 -6.2354 -5.7492 -5.7492 -5.7274 -5.7274 -0.9725 -0.9725 0.7175 0.7176 1.1466 1.1466 6.6874 6.6874 7.2581 7.2581 7.2707 7.2751 7.5899 7.5899 7.8732 7.8732 8.0160 8.0217 9.5610 9.5610 9.6247 9.6250 9.8167 9.8167 13.9853 13.9853 14.0026 14.0063 14.0183 14.0183 16.7952 16.7952 k = 0.2647 0.2640 0.2633 ( 2746 PWs) bands (ev): -45.9190 -45.9190 -22.6623 -22.6623 -22.0124 -22.0124 -22.0098 -22.0098 -14.2455 -14.2455 -6.2568 -6.2568 -5.7546 -5.7546 -5.7332 -5.7331 -0.9569 -0.9569 0.7391 0.7392 1.1718 1.1718 6.7066 6.7066 7.2911 7.2911 7.3046 7.3093 7.6450 7.6450 7.8872 7.8872 8.0228 8.0289 9.5479 9.5479 9.6151 9.6153 9.7918 9.7918 13.9437 13.9437 13.9578 13.9615 13.9744 13.9744 16.7297 16.7303 k = 0.2574 0.2566 0.2559 ( 2740 PWs) bands (ev): -45.9191 -45.9191 -22.6613 -22.6613 -22.0112 -22.0112 -22.0087 -22.0087 -14.2513 -14.2513 -6.2773 -6.2773 -5.7599 -5.7599 -5.7388 -5.7388 -0.9424 -0.9424 0.7600 0.7601 1.1940 1.1940 6.7279 6.7279 7.3243 7.3243 7.3390 7.3439 7.7039 7.7039 7.9028 7.9028 8.0313 8.0377 9.5370 9.5370 9.6075 9.6077 9.7671 9.7671 13.9014 13.9014 13.9126 13.9164 13.9301 13.9301 16.6628 16.6628 k = 0.2500 0.2493 0.2486 ( 2752 PWs) bands (ev): -45.9191 -45.9191 -22.6604 -22.6604 -22.0101 -22.0101 -22.0076 -22.0076 -14.2572 -14.2572 -6.2968 -6.2968 -5.7650 -5.7650 -5.7443 -5.7443 -0.9291 -0.9291 0.7800 0.7801 1.2131 1.2131 6.7520 6.7520 7.3578 7.3578 7.3737 7.3789 7.7660 7.7660 7.9203 7.9203 8.0415 8.0482 9.5282 9.5282 9.6019 9.6020 9.7423 9.7423 13.8583 13.8583 13.8672 13.8710 13.8857 13.8857 16.5946 16.5946 k = 0.2426 0.2420 0.2413 ( 2740 PWs) bands (ev): -45.9192 -45.9192 -22.6593 -22.6593 -22.0090 -22.0090 -22.0064 -22.0064 -14.2631 -14.2631 -6.3154 -6.3154 -5.7699 -5.7699 -5.7496 -5.7496 -0.9169 -0.9169 0.7991 0.7992 1.2291 1.2291 6.7791 6.7791 7.3915 7.3915 7.4087 7.4142 7.8309 7.8309 7.9396 7.9396 8.0535 8.0605 9.5215 9.5215 9.5983 9.5984 9.7177 9.7177 13.8146 13.8146 13.8215 13.8254 13.8410 13.8410 16.5253 16.5253 k = 0.2353 0.2347 0.2340 ( 2740 PWs) bands (ev): -45.9193 -45.9193 -22.6583 -22.6583 -22.0078 -22.0078 -22.0053 -22.0053 -14.2691 -14.2691 -6.3330 -6.3330 -5.7746 -5.7746 -5.7548 -5.7548 -0.9060 -0.9060 0.8173 0.8174 1.2419 1.2419 6.8095 6.8095 7.4254 7.4254 7.4441 7.4499 7.8976 7.8976 7.9613 7.9613 8.0672 8.0746 9.5170 9.5170 9.5967 9.5967 9.6933 9.6933 13.7705 13.7705 13.7757 13.7797 13.7963 13.7963 16.4553 16.4553 k = 0.2279 0.2273 0.2267 ( 2737 PWs) bands (ev): -45.9193 -45.9193 -22.6573 -22.6573 -22.0067 -22.0067 -22.0042 -22.0042 -14.2752 -14.2752 -6.3496 -6.3496 -5.7791 -5.7791 -5.7598 -5.7598 -0.8962 -0.8962 0.8344 0.8346 1.2517 1.2517 6.8432 6.8432 7.4593 7.4593 7.4797 7.4858 7.9620 7.9620 7.9891 7.9891 8.0827 8.0904 9.5146 9.5146 9.5970 9.5970 9.6691 9.6691 13.7261 13.7261 13.7298 13.7338 13.7514 13.7514 16.3846 16.3846 k = 0.2206 0.2200 0.2194 ( 2737 PWs) bands (ev): -45.9194 -45.9194 -22.6563 -22.6563 -22.0056 -22.0056 -22.0030 -22.0030 -14.2813 -14.2813 -6.3652 -6.3652 -5.7834 -5.7834 -5.7647 -5.7647 -0.8877 -0.8877 0.8506 0.8507 1.2583 1.2583 6.8803 6.8803 7.4933 7.4933 7.5157 7.5221 8.0012 8.0012 8.0455 8.0455 8.1000 8.1080 9.5144 9.5144 9.5992 9.5992 9.6452 9.6452 13.6814 13.6814 13.6839 13.6880 13.7066 13.7066 16.3134 16.3134 k = 0.2132 0.2127 0.2121 ( 2743 PWs) bands (ev): -45.9195 -45.9195 -22.6554 -22.6554 -22.0045 -22.0045 -22.0020 -22.0020 -14.2875 -14.2875 -6.3797 -6.3797 -5.7874 -5.7874 -5.7694 -5.7693 -0.8805 -0.8805 0.8656 0.8657 1.2621 1.2621 6.9208 6.9208 7.5272 7.5272 7.5519 7.5585 8.0288 8.0288 8.1167 8.1167 8.1191 8.1273 9.5162 9.5162 9.6032 9.6033 9.6216 9.6216 13.6366 13.6366 13.6381 13.6423 13.6618 13.6618 16.2420 16.2420 k = 0.2059 0.2053 0.2048 ( 2737 PWs) bands (ev): -45.9195 -45.9195 -22.6544 -22.6544 -22.0034 -22.0034 -22.0008 -22.0008 -14.2936 -14.2936 -6.3932 -6.3932 -5.7913 -5.7913 -5.7739 -5.7738 -0.8745 -0.8745 0.8795 0.8797 1.2630 1.2630 6.9644 6.9644 7.5609 7.5609 7.5883 7.5951 8.0567 8.0567 8.1399 8.1484 8.1907 8.1907 9.5201 9.5201 9.5984 9.5984 9.6090 9.6091 13.5918 13.5918 13.5925 13.5967 13.6171 13.6171 16.1705 16.1705 k = 0.1985 0.1980 0.1974 ( 2749 PWs) bands (ev): -45.9196 -45.9196 -22.6534 -22.6534 -22.0023 -22.0023 -21.9998 -21.9998 -14.2998 -14.2998 -6.4058 -6.4058 -5.7950 -5.7950 -5.7782 -5.7782 -0.8696 -0.8696 0.8924 0.8925 1.2613 1.2613 7.0109 7.0109 7.5944 7.5944 7.6248 7.6318 8.0859 8.0859 8.1624 8.1711 8.2660 8.2660 9.5259 9.5259 9.5757 9.5757 9.6166 9.6167 13.5470 13.5472 13.5472 13.5513 13.5726 13.5726 16.0990 16.0990 k = 0.1912 0.1907 0.1901 ( 2749 PWs) bands (ev): -45.9197 -45.9197 -22.6525 -22.6525 -22.0012 -22.0012 -21.9987 -21.9987 -14.3059 -14.3059 -6.4173 -6.4173 -5.7985 -5.7985 -5.7823 -5.7823 -0.8660 -0.8660 0.9041 0.9043 1.2572 1.2572 7.0601 7.0601 7.6276 7.6276 7.6614 7.6685 8.1166 8.1166 8.1866 8.1955 8.3424 8.3424 9.5333 9.5333 9.5538 9.5538 9.6258 9.6259 13.5019 13.5028 13.5028 13.5062 13.5284 13.5284 16.0278 16.0278 k = 0.1838 0.1833 0.1828 ( 2737 PWs) bands (ev): -45.9197 -45.9197 -22.6515 -22.6515 -22.0001 -22.0001 -21.9976 -21.9976 -14.3120 -14.3120 -6.4278 -6.4278 -5.8017 -5.8017 -5.7862 -5.7862 -0.8635 -0.8635 0.9148 0.9149 1.2509 1.2509 7.1117 7.1117 7.6603 7.6603 7.6978 7.7051 8.1489 8.1489 8.2126 8.2216 8.4195 8.4195 9.5301 9.5301 9.5447 9.5447 9.6366 9.6366 13.4571 13.4587 13.4587 13.4614 13.4846 13.4846 15.9570 15.9570 k = 0.1765 0.1760 0.1755 ( 2731 PWs) bands (ev): -45.9198 -45.9198 -22.6506 -22.6506 -21.9991 -21.9991 -21.9965 -21.9965 -14.3181 -14.3181 -6.4373 -6.4373 -5.8048 -5.8048 -5.7899 -5.7899 -0.8620 -0.8620 0.9244 0.9245 1.2425 1.2425 7.1652 7.1652 7.6924 7.6924 7.7341 7.7414 8.1829 8.1829 8.2402 8.2493 8.4970 8.4970 9.5095 9.5095 9.5553 9.5553 9.6488 9.6488 13.4126 13.4151 13.4151 13.4170 13.4413 13.4413 15.8868 15.8868 k = 0.1691 0.1687 0.1682 ( 2731 PWs) bands (ev): -45.9199 -45.9199 -22.6497 -22.6497 -21.9980 -21.9980 -21.9954 -21.9954 -14.3241 -14.3241 -6.4460 -6.4460 -5.8076 -5.8076 -5.7935 -5.7935 -0.8617 -0.8617 0.9329 0.9330 1.2323 1.2323 7.2202 7.2202 7.7237 7.7237 7.7699 7.7773 8.2185 8.2185 8.2695 8.2785 8.5748 8.5748 9.4889 9.4889 9.5681 9.5681 9.6623 9.6624 13.3687 13.3719 13.3719 13.3731 13.3986 13.3986 15.8173 15.8173 k = 0.1618 0.1613 0.1609 ( 2731 PWs) bands (ev): -45.9199 -45.9199 -22.6488 -22.6488 -21.9971 -21.9971 -21.9944 -21.9944 -14.3300 -14.3300 -6.4537 -6.4537 -5.8102 -5.8102 -5.7968 -5.7968 -0.8622 -0.8622 0.9404 0.9405 1.2206 1.2206 7.2763 7.2763 7.7542 7.7542 7.8052 7.8125 8.2556 8.2556 8.3004 8.3095 8.6527 8.6527 9.4688 9.4688 9.5825 9.5825 9.6771 9.6772 13.3253 13.3294 13.3294 13.3297 13.3566 13.3566 15.7488 15.7488 k = 0.1544 0.1540 0.1536 ( 2731 PWs) bands (ev): -45.9200 -45.9200 -22.6479 -22.6479 -21.9961 -21.9961 -21.9935 -21.9935 -14.3358 -14.3358 -6.4606 -6.4606 -5.8127 -5.8127 -5.8000 -5.8000 -0.8637 -0.8637 0.9470 0.9471 1.2076 1.2076 7.3331 7.3331 7.7838 7.7838 7.8397 7.8469 8.2944 8.2944 8.3331 8.3420 8.7304 8.7304 9.4493 9.4493 9.5982 9.5982 9.6930 9.6930 13.2824 13.2868 13.2876 13.2876 13.3155 13.3155 15.6821 15.6840 k = 0.1471 0.1467 0.1463 ( 2743 PWs) bands (ev): -45.9200 -45.9200 -22.6471 -22.6471 -21.9952 -21.9952 -21.9926 -21.9926 -14.3415 -14.3415 -6.4666 -6.4666 -5.8149 -5.8149 -5.8030 -5.8030 -0.8660 -0.8660 0.9526 0.9527 1.1936 1.1936 7.3901 7.3901 7.8124 7.8124 7.8732 7.8803 8.3345 8.3345 8.3674 8.3761 8.8076 8.8076 9.4305 9.4305 9.6151 9.6151 9.7098 9.7098 13.2403 13.2446 13.2465 13.2465 13.2754 13.2754 15.6152 15.6152 k = 0.1397 0.1393 0.1389 ( 2743 PWs) bands (ev): -45.9201 -45.9201 -22.6463 -22.6463 -21.9943 -21.9943 -21.9916 -21.9916 -14.3471 -14.3471 -6.4719 -6.4719 -5.8170 -5.8170 -5.8058 -5.8058 -0.8691 -0.8691 0.9574 0.9575 1.1786 1.1786 7.4468 7.4468 7.8400 7.8400 7.9056 7.9123 8.3761 8.3761 8.4033 8.4117 8.8842 8.8842 9.4124 9.4124 9.6331 9.6331 9.7273 9.7274 13.1988 13.2032 13.2061 13.2061 13.2365 13.2365 15.5505 15.5505 k = 0.1324 0.1320 0.1316 ( 2743 PWs) bands (ev): -45.9202 -45.9202 -22.6456 -22.6456 -21.9934 -21.9934 -21.9907 -21.9907 -14.3525 -14.3525 -6.4765 -6.4765 -5.8189 -5.8189 -5.8084 -5.8084 -0.8728 -0.8728 0.9614 0.9615 1.1631 1.1631 7.5027 7.5027 7.8665 7.8665 7.9365 7.9430 8.4187 8.4187 8.4407 8.4487 8.9599 8.9599 9.3950 9.3950 9.6518 9.6518 9.7455 9.7456 13.1582 13.1625 13.1665 13.1665 13.1990 13.1990 15.4874 15.4874 k = 0.1250 0.1247 0.1243 ( 2737 PWs) bands (ev): -45.9202 -45.9202 -22.6448 -22.6448 -21.9926 -21.9926 -21.9898 -21.9898 -14.3578 -14.3578 -6.4804 -6.4804 -5.8206 -5.8206 -5.8108 -5.8108 -0.8771 -0.8771 0.9646 0.9647 1.1472 1.1472 7.5574 7.5574 7.8920 7.8920 7.9659 7.9721 8.4624 8.4624 8.4794 8.4871 9.0343 9.0343 9.3784 9.3784 9.6712 9.6712 9.7641 9.7643 13.1185 13.1228 13.1278 13.1278 13.1631 13.1631 15.4262 15.4262 k = 0.1176 0.1173 0.1170 ( 2725 PWs) bands (ev): -45.9202 -45.9202 -22.6440 -22.6440 -21.9917 -21.9917 -21.9890 -21.9890 -14.3628 -14.3628 -6.4837 -6.4837 -5.8221 -5.8221 -5.8130 -5.8130 -0.8818 -0.8818 0.9672 0.9673 1.1311 1.1311 7.6103 7.6103 7.9167 7.9167 7.9937 7.9995 8.5068 8.5068 8.5193 8.5265 9.1072 9.1072 9.3626 9.3626 9.6910 9.6910 9.7830 9.7831 13.0798 13.0839 13.0900 13.0900 13.1288 13.1288 15.3671 15.3672 k = 0.1103 0.1100 0.1097 ( 2734 PWs) bands (ev): -45.9203 -45.9203 -22.6434 -22.6434 -21.9910 -21.9910 -21.9882 -21.9882 -14.3677 -14.3677 -6.4864 -6.4864 -5.8235 -5.8235 -5.8151 -5.8151 -0.8869 -0.8869 0.9692 0.9693 1.1150 1.1150 7.6608 7.6608 7.9406 7.9406 8.0196 8.0250 8.5516 8.5516 8.5601 8.5668 9.1783 9.1783 9.3477 9.3477 9.7110 9.7110 9.8019 9.8021 13.0421 13.0462 13.0531 13.0531 13.0964 13.0964 15.3100 15.3100 k = 0.1029 0.1027 0.1024 ( 2746 PWs) bands (ev): -45.9203 -45.9203 -22.6428 -22.6428 -21.9903 -21.9903 -21.9875 -21.9875 -14.3724 -14.3724 -6.4886 -6.4886 -5.8248 -5.8248 -5.8170 -5.8170 -0.8923 -0.8923 0.9706 0.9707 1.0991 1.0991 7.7085 7.7085 7.9639 7.9639 8.0438 8.0487 8.5964 8.5964 8.6014 8.6077 9.2470 9.2470 9.3335 9.3335 9.7311 9.7311 9.8206 9.8209 13.0057 13.0096 13.0173 13.0173 13.0660 13.0660 15.2555 15.2568 k = 0.0956 0.0953 0.0951 ( 2749 PWs) bands (ev): -45.9204 -45.9204 -22.6422 -22.6422 -21.9897 -21.9897 -21.9869 -21.9869 -14.3768 -14.3768 -6.4903 -6.4903 -5.8259 -5.8259 -5.8188 -5.8188 -0.8978 -0.8978 0.9716 0.9717 1.0836 1.0836 7.7528 7.7528 7.9869 7.9869 8.0661 8.0706 8.6410 8.6410 8.6429 8.6487 9.3129 9.3129 9.3206 9.3206 9.7511 9.7511 9.8391 9.8394 12.9706 12.9744 12.9827 12.9827 13.0376 13.0376 15.2036 15.2043 k = 0.0882 0.0880 0.0878 ( 2749 PWs) bands (ev): -45.9204 -45.9204 -22.6417 -22.6417 -21.9891 -21.9891 -21.9862 -21.9862 -14.3809 -14.3809 -6.4917 -6.4917 -5.8269 -5.8269 -5.8204 -5.8204 -0.9034 -0.9034 0.9722 0.9723 1.0686 1.0686 7.7933 7.7933 8.0098 8.0098 8.0866 8.0907 8.6843 8.6849 8.6849 8.6895 9.3079 9.3079 9.3765 9.3765 9.7707 9.7707 9.8570 9.8573 12.9369 12.9406 12.9494 12.9494 13.0113 13.0113 15.1543 15.1553 k = 0.0809 0.0807 0.0804 ( 2749 PWs) bands (ev): -45.9205 -45.9205 -22.6411 -22.6411 -21.9885 -21.9885 -21.9855 -21.9855 -14.3848 -14.3848 -6.4927 -6.4927 -5.8278 -5.8278 -5.8218 -5.8218 -0.9090 -0.9090 0.9724 0.9725 1.0543 1.0543 7.8296 7.8296 8.0326 8.0326 8.1052 8.1089 8.7250 8.7278 8.7278 8.7297 9.2965 9.2965 9.4362 9.4362 9.7899 9.7899 9.8741 9.8745 12.9049 12.9085 12.9177 12.9177 12.9872 12.9872 15.1081 15.1090 k = 0.0735 0.0733 0.0731 ( 2749 PWs) bands (ev): -45.9205 -45.9205 -22.6407 -22.6407 -21.9880 -21.9880 -21.9850 -21.9850 -14.3884 -14.3884 -6.4934 -6.4934 -5.8286 -5.8286 -5.8231 -5.8231 -0.9144 -0.9144 0.9724 0.9725 1.0408 1.0408 7.8613 7.8613 8.0555 8.0555 8.1220 8.1253 8.7645 8.7687 8.7691 8.7691 9.2860 9.2860 9.4921 9.4921 9.8083 9.8083 9.8904 9.8908 12.8748 12.8781 12.8876 12.8876 12.9653 12.9653 15.0652 15.0659 k = 0.0662 0.0660 0.0658 ( 2767 PWs) bands (ev): -45.9205 -45.9205 -22.6403 -22.6403 -21.9875 -21.9875 -21.9846 -21.9846 -14.3917 -14.3917 -6.4939 -6.4939 -5.8293 -5.8293 -5.8243 -5.8243 -0.9197 -0.9197 0.9722 0.9723 1.0282 1.0282 7.8885 7.8885 8.0782 8.0782 8.1371 8.1399 8.8023 8.8061 8.8084 8.8084 9.2765 9.2765 9.5437 9.5437 9.8260 9.8260 9.9057 9.9061 12.8466 12.8497 12.8595 12.8595 12.9456 12.9456 15.0256 15.0257 k = 0.0588 0.0587 0.0585 ( 2773 PWs) bands (ev): -45.9206 -45.9206 -22.6399 -22.6399 -21.9871 -21.9871 -21.9842 -21.9842 -14.3947 -14.3947 -6.4942 -6.4942 -5.8298 -5.8298 -5.8253 -5.8253 -0.9246 -0.9246 0.9719 0.9719 1.0167 1.0167 7.9114 7.9114 8.1004 8.1004 8.1504 8.1529 8.8380 8.8413 8.8452 8.8452 9.2679 9.2679 9.5906 9.5906 9.8427 9.8427 9.9197 9.9201 12.8207 12.8235 12.8336 12.8336 12.9281 12.9281 14.9897 14.9905 k = 0.0515 0.0513 0.0512 ( 2767 PWs) bands (ev): -45.9206 -45.9206 -22.6395 -22.6395 -21.9867 -21.9867 -21.9837 -21.9837 -14.3973 -14.3973 -6.4943 -6.4943 -5.8303 -5.8303 -5.8262 -5.8262 -0.9292 -0.9292 0.9714 0.9715 1.0063 1.0063 7.9303 7.9304 8.1216 8.1216 8.1621 8.1642 8.8711 8.8739 8.8791 8.8791 9.2603 9.2603 9.6324 9.6324 9.8583 9.8583 9.9324 9.9327 12.7971 12.7997 12.8100 12.8100 12.9128 12.9128 14.9574 14.9579 k = 0.0441 0.0440 0.0439 ( 2767 PWs) bands (ev): -45.9206 -45.9206 -22.6392 -22.6392 -21.9864 -21.9864 -21.9833 -21.9833 -14.3997 -14.3997 -6.4943 -6.4943 -5.8307 -5.8307 -5.8270 -5.8270 -0.9333 -0.9333 0.9709 0.9710 0.9971 0.9971 7.9458 7.9458 8.1412 8.1412 8.1722 8.1740 8.9010 8.9033 8.9096 8.9096 9.2537 9.2537 9.6689 9.6689 9.8727 9.8727 9.9436 9.9439 12.7762 12.7785 12.7889 12.7889 12.8996 12.8996 14.9291 14.9298 k = 0.0368 0.0367 0.0366 ( 2761 PWs) bands (ev): -45.9206 -45.9206 -22.6390 -22.6390 -21.9861 -21.9861 -21.9830 -21.9830 -14.4016 -14.4016 -6.4943 -6.4943 -5.8311 -5.8311 -5.8276 -5.8276 -0.9368 -0.9368 0.9705 0.9705 0.9893 0.9893 7.9581 7.9581 8.1587 8.1587 8.1806 8.1821 8.9272 8.9292 8.9363 8.9363 9.2481 9.2481 9.6997 9.6997 9.8856 9.8856 9.9532 9.9535 12.7582 12.7601 12.7707 12.7707 12.8886 12.8886 14.9049 14.9054 k = 0.0294 0.0293 0.0293 ( 2767 PWs) bands (ev): -45.9206 -45.9206 -22.6388 -22.6388 -21.9859 -21.9859 -21.9827 -21.9827 -14.4033 -14.4033 -6.4942 -6.4942 -5.8313 -5.8313 -5.8281 -5.8281 -0.9399 -0.9399 0.9700 0.9700 0.9827 0.9827 7.9678 7.9678 8.1735 8.1735 8.1875 8.1887 8.9494 8.9509 8.9587 8.9587 9.2435 9.2435 9.7248 9.7248 9.8968 9.8968 9.9611 9.9614 12.7431 12.7447 12.7555 12.7555 12.8796 12.8796 14.8848 14.8849 k = 0.0221 0.0220 0.0219 ( 2780 PWs) bands (ev): -45.9207 -45.9207 -22.6387 -22.6387 -21.9857 -21.9857 -21.9826 -21.9826 -14.4046 -14.4046 -6.4942 -6.4942 -5.8315 -5.8315 -5.8285 -5.8285 -0.9423 -0.9423 0.9696 0.9696 0.9776 0.9776 7.9750 7.9750 8.1855 8.1855 8.1929 8.1938 8.9671 8.9682 8.9766 8.9766 9.2400 9.2400 9.7441 9.7441 9.9060 9.9060 9.9674 9.9676 12.7312 12.7324 12.7434 12.7434 12.8727 12.8727 14.8692 14.8696 k = 0.0147 0.0147 0.0146 ( 2780 PWs) bands (ev): -45.9207 -45.9207 -22.6385 -22.6385 -21.9856 -21.9856 -21.9825 -21.9825 -14.4055 -14.4055 -6.4941 -6.4941 -5.8317 -5.8317 -5.8288 -5.8288 -0.9440 -0.9440 0.9693 0.9694 0.9739 0.9739 7.9800 7.9800 8.1942 8.1942 8.1968 8.1973 8.9800 8.9808 8.9896 8.9896 9.2374 9.2374 9.7577 9.7577 9.9130 9.9130 9.9719 9.9721 12.7227 12.7235 12.7347 12.7347 12.8678 12.8678 14.8578 14.8582 k = 0.0074 0.0073 0.0073 ( 2777 PWs) bands (ev): -45.9207 -45.9207 -22.6385 -22.6385 -21.9855 -21.9855 -21.9824 -21.9824 -14.4060 -14.4060 -6.4940 -6.4940 -5.8318 -5.8318 -5.8290 -5.8290 -0.9450 -0.9450 0.9692 0.9692 0.9717 0.9717 7.9830 7.9830 8.1991 8.1994 8.1994 8.1994 8.9880 8.9883 8.9975 8.9975 9.2359 9.2359 9.7658 9.7658 9.9173 9.9173 9.9746 9.9747 12.7176 12.7180 12.7294 12.7294 12.8649 12.8649 14.8510 14.8513 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9207 -45.9207 -22.6384 -22.6384 -21.9855 -21.9855 -21.9823 -21.9823 -14.4062 -14.4062 -6.4940 -6.4940 -5.8318 -5.8318 -5.8291 -5.8291 -0.9454 -0.9454 0.9691 0.9691 0.9709 0.9709 7.9839 7.9839 8.2000 8.2000 8.2012 8.2012 8.9907 8.9907 9.0001 9.0001 9.2354 9.2354 9.7685 9.7685 9.9187 9.9187 9.9756 9.9756 12.7161 12.7161 12.7276 12.7276 12.8640 12.8640 14.8490 14.8502 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9207 -45.9207 -22.6384 -22.6384 -21.9855 -21.9855 -21.9823 -21.9823 -14.4062 -14.4062 -6.4940 -6.4940 -5.8318 -5.8318 -5.8291 -5.8291 -0.9454 -0.9454 0.9691 0.9691 0.9709 0.9709 7.9839 7.9839 8.2000 8.2000 8.2012 8.2012 8.9907 8.9907 9.0001 9.0001 9.2354 9.2354 9.7685 9.7685 9.9187 9.9187 9.9756 9.9756 12.7161 12.7161 12.7276 12.7276 12.8640 12.8640 14.8489 14.8502 k = 0.0089-0.0000-0.0089 ( 2775 PWs) bands (ev): -45.9207 -45.9207 -22.6385 -22.6384 -21.9855 -21.9855 -21.9824 -21.9823 -14.4060 -14.4060 -6.4942 -6.4939 -5.8320 -5.8315 -5.8290 -5.8290 -0.9452 -0.9448 0.9695 0.9697 0.9707 0.9718 7.9805 7.9852 8.1955 8.1979 8.2007 8.2029 8.9890 8.9890 8.9972 8.9996 9.2329 9.2345 9.7502 9.7812 9.9026 9.9316 9.9763 9.9769 12.7168 12.7173 12.7276 12.7304 12.8639 12.8661 14.8503 14.8506 k = 0.0178-0.0000-0.0179 ( 2769 PWs) bands (ev): -45.9207 -45.9207 -22.6386 -22.6384 -21.9855 -21.9855 -21.9825 -21.9823 -14.4055 -14.4055 -6.4944 -6.4938 -5.8321 -5.8312 -5.8289 -5.8289 -0.9443 -0.9436 0.9701 0.9709 0.9716 0.9740 7.9747 7.9842 8.1865 8.1934 8.1989 8.2019 8.9831 8.9837 8.9913 8.9959 9.2272 9.2306 9.7275 9.7860 9.8868 9.9384 9.9778 9.9818 12.7174 12.7206 12.7323 12.7358 12.8658 12.8701 14.8537 14.8544 k = 0.0267-0.0001-0.0268 ( 2763 PWs) bands (ev): -45.9207 -45.9207 -22.6387 -22.6384 -21.9856 -21.9856 -21.9826 -21.9824 -14.4046 -14.4045 -6.4947 -6.4939 -5.8321 -5.8308 -5.8287 -5.8286 -0.9427 -0.9416 0.9707 0.9715 0.9748 0.9778 7.9666 7.9809 8.1740 8.1864 8.1949 8.1987 8.9725 8.9741 8.9831 8.9894 9.2190 9.2239 9.7012 9.7798 9.8749 9.9392 9.9793 9.9895 12.7175 12.7250 12.7420 12.7453 12.8699 12.8759 14.8593 14.8604 k = 0.0356-0.0001-0.0357 ( 2767 PWs) bands (ev): -45.9206 -45.9206 -22.6389 -22.6386 -21.9859 -21.9858 -21.9829 -21.9825 -14.4033 -14.4033 -6.4951 -6.4939 -5.8321 -5.8303 -5.8284 -5.8282 -0.9405 -0.9390 0.9713 0.9723 0.9793 0.9830 7.9559 7.9751 8.1579 8.1766 8.1887 8.1937 8.9570 8.9597 8.9728 8.9802 9.2089 9.2153 9.6717 9.7616 9.8685 9.9360 9.9802 9.9974 12.7180 12.7295 12.7558 12.7598 12.8761 12.8837 14.8669 14.8684 k = 0.0445-0.0001-0.0446 ( 2765 PWs) bands (ev): -45.9206 -45.9206 -22.6391 -22.6388 -21.9862 -21.9861 -21.9831 -21.9827 -14.4017 -14.4016 -6.4955 -6.4941 -5.8320 -5.8297 -5.8280 -5.8277 -0.9375 -0.9357 0.9721 0.9733 0.9853 0.9895 7.9423 7.9665 8.1387 8.1637 8.1807 8.1873 8.9368 8.9406 8.9599 8.9680 9.1978 9.2055 9.6394 9.7341 9.8652 9.9304 9.9803 10.0037 12.7196 12.7344 12.7736 12.7788 12.8844 12.8932 14.8766 14.8785 k = 0.0534-0.0001-0.0536 ( 2765 PWs) bands (ev): -45.9206 -45.9206 -22.6394 -22.6390 -21.9866 -21.9864 -21.9834 -21.9829 -14.3997 -14.3997 -6.4960 -6.4943 -5.8318 -5.8290 -5.8276 -5.8270 -0.9340 -0.9319 0.9731 0.9745 0.9925 0.9973 7.9257 7.9549 8.1166 8.1477 8.1712 8.1795 8.9122 8.9169 8.9441 8.9525 9.1866 9.1955 9.6046 9.7003 9.8622 9.9230 9.9792 10.0075 12.7225 12.7400 12.7952 12.8017 12.8949 12.9046 14.8882 14.8905 k = 0.0623-0.0002-0.0625 ( 2753 PWs) bands (ev): -45.9206 -45.9206 -22.6397 -22.6392 -21.9869 -21.9867 -21.9836 -21.9831 -14.3974 -14.3973 -6.4965 -6.4945 -5.8316 -5.8281 -5.8271 -5.8260 -0.9299 -0.9275 0.9742 0.9759 1.0009 1.0063 7.9058 7.9396 8.0920 8.1288 8.1606 8.1704 8.8835 8.8890 8.9252 8.9336 9.1763 9.1859 9.5675 9.6622 9.8581 9.9141 9.9766 10.0085 12.7272 12.7467 12.8203 12.8281 12.9075 12.9181 14.9016 14.9043 k = 0.0712-0.0002-0.0714 ( 2749 PWs) bands (ev): -45.9206 -45.9206 -22.6401 -22.6395 -21.9875 -21.9871 -21.9839 -21.9833 -14.3948 -14.3947 -6.4971 -6.4948 -5.8313 -5.8270 -5.8264 -5.8248 -0.9252 -0.9226 0.9756 0.9775 1.0104 1.0162 7.8822 7.9202 8.0656 8.1072 8.1489 8.1599 8.8507 8.8573 8.9034 8.9115 9.1671 9.1772 9.5284 9.6208 9.8523 9.9037 9.9723 10.0066 12.7339 12.7551 12.8485 12.8576 12.9223 12.9337 14.9167 14.9196 k = 0.0801-0.0002-0.0804 ( 2755 PWs) bands (ev): -45.9205 -45.9205 -22.6405 -22.6398 -21.9882 -21.9877 -21.9842 -21.9836 -14.3919 -14.3918 -6.4977 -6.4952 -5.8309 -5.8261 -5.8254 -5.8234 -0.9201 -0.9172 0.9771 0.9793 1.0209 1.0272 7.8549 7.8961 8.0379 8.0831 8.1365 8.1484 8.8143 8.8221 8.8788 8.8864 9.1595 9.1696 9.4875 9.5767 9.8447 9.8919 9.9661 10.0017 12.7427 12.7652 12.8794 12.8900 12.9393 12.9517 14.9331 14.9364 k = 0.0890-0.0002-0.0893 ( 2755 PWs) bands (ev): -45.9205 -45.9205 -22.6410 -22.6402 -21.9889 -21.9883 -21.9845 -21.9839 -14.3886 -14.3885 -6.4983 -6.4955 -5.8304 -5.8253 -5.8239 -5.8216 -0.9146 -0.9115 0.9788 0.9812 1.0323 1.0389 7.8238 7.8668 8.0092 8.0564 8.1235 8.1359 8.7746 8.7839 8.8516 8.8588 9.1533 9.1632 9.4451 9.5303 9.8353 9.8789 9.9580 9.9941 12.7538 12.7773 12.9125 12.9246 12.9587 12.9724 14.9508 14.9544 k = 0.0979-0.0003-0.0982 ( 2755 PWs) bands (ev): -45.9205 -45.9205 -22.6415 -22.6407 -21.9897 -21.9890 -21.9848 -21.9842 -14.3851 -14.3850 -6.4989 -6.4959 -5.8299 -5.8245 -5.8221 -5.8196 -0.9088 -0.9055 0.9806 0.9833 1.0445 1.0513 7.7888 7.8325 7.9796 8.0273 8.1102 8.1228 8.7323 8.7431 8.8222 8.8291 9.1484 9.1578 9.4015 9.4822 9.8242 9.8647 9.9480 9.9839 12.7673 12.7917 12.9469 12.9606 12.9812 12.9964 14.9696 14.9735 k = 0.1069-0.0003-0.1071 ( 2755 PWs) bands (ev): -45.9204 -45.9204 -22.6420 -22.6411 -21.9906 -21.9898 -21.9852 -21.9845 -14.3813 -14.3811 -6.4996 -6.4963 -5.8294 -5.8236 -5.8198 -5.8171 -0.9028 -0.8992 0.9826 0.9856 1.0573 1.0643 7.7503 7.7934 7.9488 7.9956 8.0966 8.1091 8.6878 8.7003 8.7910 8.7977 9.1444 9.1531 9.3574 9.4328 9.8116 9.8494 9.9362 9.9714 12.7833 12.8083 12.9814 12.9946 13.0095 13.0246 14.9893 14.9934 k = 0.1158-0.0003-0.1161 ( 2753 PWs) bands (ev): -45.9204 -45.9204 -22.6426 -22.6416 -21.9916 -21.9906 -21.9855 -21.9848 -14.3772 -14.3771 -6.5001 -6.4966 -5.8287 -5.8228 -5.8173 -5.8144 -0.8965 -0.8927 0.9848 0.9880 1.0706 1.0777 7.7084 7.7501 7.9165 7.9615 8.0830 8.0950 8.6416 8.6558 8.7582 8.7649 9.1408 9.1481 9.3137 9.3828 9.7977 9.8332 9.9228 9.9571 12.8018 12.8273 13.0150 13.0236 13.0465 13.0581 15.0097 15.0141 k = 0.1247-0.0003-0.1250 ( 2753 PWs) bands (ev): -45.9204 -45.9204 -22.6432 -22.6422 -21.9926 -21.9916 -21.9859 -21.9851 -14.3729 -14.3728 -6.5006 -6.4969 -5.8280 -5.8218 -5.8144 -5.8112 -0.8902 -0.8861 0.9871 0.9906 1.0842 1.0912 7.6635 7.7032 7.8823 7.9247 8.0692 8.0808 8.5940 8.6099 8.7243 8.7310 9.1367 9.1415 9.2719 9.3332 9.7826 9.8162 9.9082 9.9414 12.8228 12.8486 13.0474 13.0518 13.0874 13.0967 15.0306 15.0353 k = 0.1336-0.0004-0.1339 ( 2752 PWs) bands (ev): -45.9203 -45.9203 -22.6439 -22.6428 -21.9937 -21.9925 -21.9862 -21.9854 -14.3684 -14.3682 -6.5010 -6.4971 -5.8273 -5.8208 -5.8110 -5.8077 -0.8838 -0.8794 0.9895 0.9933 1.0979 1.1049 7.6160 7.6535 7.8459 7.8854 8.0553 8.0665 8.5455 8.5629 8.6895 8.6962 9.1284 9.1317 9.2358 9.2861 9.7663 9.7984 9.8926 9.9248 12.8462 12.8722 13.0794 13.0815 13.1302 13.1389 15.0519 15.0568 k = 0.1425-0.0004-0.1429 ( 2754 PWs) bands (ev): -45.9203 -45.9203 -22.6446 -22.6434 -21.9949 -21.9936 -21.9866 -21.9857 -14.3637 -14.3635 -6.5012 -6.4971 -5.8265 -5.8198 -5.8073 -5.8037 -0.8774 -0.8727 0.9920 0.9961 1.1116 1.1185 7.5664 7.6015 7.8071 7.8436 8.0414 8.0521 8.4962 8.5149 8.6541 8.6608 9.1066 9.1191 9.2107 9.2453 9.7488 9.7797 9.8767 9.9078 12.8719 12.8981 13.1115 13.1131 13.1745 13.1834 15.0735 15.0786 k = 0.1514-0.0004-0.1518 ( 2754 PWs) bands (ev): -45.9202 -45.9202 -22.6453 -22.6441 -21.9961 -21.9947 -21.9870 -21.9861 -14.3588 -14.3586 -6.5012 -6.4969 -5.8257 -5.8187 -5.8033 -5.7995 -0.8711 -0.8660 0.9946 0.9990 1.1250 1.1319 7.5151 7.5479 7.7659 7.7994 8.0272 8.0378 8.4464 8.4660 8.6184 8.6249 9.0728 9.0958 9.1981 9.2167 9.7301 9.7600 9.8610 9.8911 12.8999 12.9262 13.1443 13.1465 13.2201 13.2293 15.0951 15.1005 k = 0.1603-0.0004-0.1607 ( 2740 PWs) bands (ev): -45.9202 -45.9202 -22.6459 -22.6447 -21.9973 -21.9958 -21.9873 -21.9864 -14.3537 -14.3535 -6.5010 -6.4965 -5.8247 -5.8176 -5.7988 -5.7948 -0.8650 -0.8594 0.9973 1.0021 1.1380 1.1449 7.4624 7.4930 7.7224 7.7531 8.0127 8.0234 8.3960 8.4163 8.5826 8.5886 9.0319 9.0598 9.1937 9.2024 9.7100 9.7389 9.8462 9.8754 12.9301 12.9564 13.1783 13.1812 13.2667 13.2763 15.1167 15.1223 k = 0.1692-0.0005-0.1696 ( 2742 PWs) bands (ev): -45.9201 -45.9201 -22.6467 -22.6454 -21.9986 -21.9970 -21.9877 -21.9867 -14.3485 -14.3483 -6.5004 -6.4958 -5.8238 -5.8164 -5.7940 -5.7899 -0.8591 -0.8529 1.0000 1.0052 1.1503 1.1574 7.4089 7.4373 7.6767 7.7047 7.9979 8.0090 8.3451 8.3657 8.5469 8.5522 8.9883 9.0159 9.1934 9.1979 9.6886 9.7162 9.8329 9.8611 12.9622 12.9886 13.2136 13.2171 13.3140 13.3239 15.1381 15.1439 k = 0.1781-0.0005-0.1786 ( 2740 PWs) bands (ev): -45.9201 -45.9201 -22.6474 -22.6461 -21.9999 -21.9982 -21.9881 -21.9871 -14.3432 -14.3430 -6.4996 -6.4948 -5.8228 -5.8152 -5.7890 -5.7846 -0.8535 -0.8466 1.0028 1.0084 1.1618 1.1694 7.3547 7.3811 7.6292 7.6546 7.9826 7.9945 8.2937 8.3142 8.5113 8.5159 8.9444 8.9692 9.1952 9.1989 9.6656 9.6917 9.8218 9.8488 12.9963 13.0227 13.2500 13.2540 13.3619 13.3721 15.1592 15.1653 k = 0.1870-0.0005-0.1875 ( 2742 PWs) bands (ev): -45.9200 -45.9200 -22.6482 -22.6469 -22.0013 -21.9995 -21.9885 -21.9875 -14.3378 -14.3376 -6.4983 -6.4934 -5.8217 -5.8140 -5.7836 -5.7791 -0.8481 -0.8406 1.0055 1.0117 1.1724 1.1806 7.3003 7.3249 7.5799 7.6030 7.9667 7.9799 8.2416 8.2616 8.4760 8.4796 8.9016 8.9227 9.1987 9.2026 9.6410 9.6654 9.8133 9.8387 13.0320 13.0584 13.2873 13.2918 13.4102 13.4206 15.1799 15.1862 k = 0.1959-0.0005-0.1964 ( 2742 PWs) bands (ev): -45.9200 -45.9200 -22.6491 -22.6476 -22.0027 -22.0009 -21.9889 -21.9878 -14.3323 -14.3321 -6.4965 -6.4915 -5.8207 -5.8127 -5.7781 -5.7734 -0.8431 -0.8349 1.0081 1.0150 1.1818 1.1910 7.2460 7.2689 7.5292 7.5502 7.9500 7.9650 8.1889 8.2079 8.4410 8.4436 8.8609 8.8781 9.2034 9.2077 9.6150 9.6373 9.8075 9.8311 13.0694 13.0957 13.3255 13.3304 13.4587 13.4693 15.2001 15.2066 k = 0.2048-0.0006-0.2054 ( 2746 PWs) bands (ev): -45.9199 -45.9199 -22.6499 -22.6484 -22.0041 -22.0022 -21.9893 -21.9882 -14.3267 -14.3265 -6.4943 -6.4892 -5.8195 -5.8114 -5.7723 -5.7675 -0.8384 -0.8295 1.0107 1.0182 1.1900 1.2004 7.1919 7.2132 7.4774 7.4964 7.9323 7.9501 8.1354 8.1532 8.4063 8.4078 8.8231 8.8365 9.2092 9.2138 9.5877 9.6078 9.8044 9.8261 13.1082 13.1344 13.3642 13.3695 13.5074 13.5182 15.2197 15.2263 k = 0.2137-0.0006-0.2143 ( 2740 PWs) bands (ev): -45.9199 -45.9199 -22.6507 -22.6492 -22.0055 -22.0036 -21.9897 -21.9886 -14.3211 -14.3209 -6.4915 -6.4862 -5.8184 -5.8101 -5.7665 -5.7615 -0.8342 -0.8245 1.0131 1.0214 1.1970 1.2089 7.1384 7.1583 7.4247 7.4418 7.9130 7.9349 8.0811 8.0978 8.3718 8.3723 8.7889 8.7990 9.2157 9.2206 9.5593 9.5771 9.8040 9.8238 13.1483 13.1744 13.4034 13.4091 13.5562 13.5670 15.2386 15.2455 k = 0.2226-0.0006-0.2232 ( 2740 PWs) bands (ev): -45.9198 -45.9198 -22.6515 -22.6500 -22.0069 -22.0050 -21.9901 -21.9890 -14.3155 -14.3153 -6.4880 -6.4827 -5.8171 -5.8088 -5.7605 -5.7555 -0.8304 -0.8198 1.0153 1.0245 1.2027 1.2163 7.0856 7.1041 7.3714 7.3867 7.8913 7.9196 8.0257 8.0427 8.3371 8.3375 8.7590 8.7662 9.2227 9.2279 9.5299 9.5456 9.8061 9.8240 13.1895 13.2155 13.4429 13.4490 13.6048 13.6157 15.2568 15.2638 k = 0.2315-0.0006-0.2321 ( 2740 PWs) bands (ev): -45.9198 -45.9198 -22.6524 -22.6509 -22.0084 -22.0064 -21.9905 -21.9893 -14.3099 -14.3097 -6.4839 -6.4785 -5.8159 -5.8074 -5.7546 -5.7495 -0.8270 -0.8156 1.0173 1.0274 1.2070 1.2225 7.0336 7.0510 7.3176 7.3314 7.8657 7.9041 7.9688 7.9903 8.3022 8.3032 8.7337 8.7387 9.2301 9.2356 9.4998 9.5134 9.8106 9.8267 13.2317 13.2575 13.4825 13.4889 13.6533 13.6642 15.2742 15.2814 k = 0.2404-0.0007-0.2411 ( 2738 PWs) bands (ev): -45.9197 -45.9197 -22.6532 -22.6517 -22.0098 -22.0078 -21.9909 -21.9897 -14.3043 -14.3042 -6.4791 -6.4736 -5.8147 -5.8061 -5.7488 -5.7435 -0.8240 -0.8119 1.0189 1.0301 1.2102 1.2277 6.9826 6.9989 7.2637 7.2761 7.8335 7.8879 7.9100 7.9440 8.2675 8.2689 8.7135 8.7170 9.2377 9.2436 9.4693 9.4811 9.8175 9.8317 13.2746 13.3004 13.5221 13.5288 13.7015 13.7123 15.2907 15.2981 k = 0.2493-0.0007-0.2500 ( 2742 PWs) bands (ev): -45.9196 -45.9196 -22.6541 -22.6525 -22.0113 -22.0093 -21.9913 -21.9901 -14.2988 -14.2987 -6.4736 -6.4680 -5.8134 -5.8047 -5.7431 -5.7378 -0.8216 -0.8086 1.0202 1.0325 1.2121 1.2318 6.9327 6.9480 7.2099 7.2209 7.7922 7.8473 7.8737 7.9063 8.2331 8.2346 8.6985 8.7010 9.2454 9.2518 9.4386 9.4488 9.8264 9.8390 13.3183 13.3438 13.5615 13.5684 13.7493 13.7601 15.3063 15.3139 k = 0.2582-0.0007-0.2589 ( 2738 PWs) bands (ev): -45.9196 -45.9196 -22.6549 -22.6534 -22.0127 -22.0107 -21.9917 -21.9905 -14.2933 -14.2932 -6.4673 -6.4617 -5.8121 -5.8034 -5.7377 -5.7322 -0.8196 -0.8058 1.0209 1.0345 1.2130 1.2349 6.8840 6.8983 7.1563 7.1662 7.7425 7.7853 7.8574 7.8766 8.1989 8.2004 8.6889 8.6908 9.2530 9.2600 9.4081 9.4172 9.8373 9.8482 13.3624 13.3878 13.6005 13.6078 13.7966 13.8074 15.3210 15.3287 k = 0.2671-0.0007-0.2679 ( 2738 PWs) bands (ev): -45.9195 -45.9195 -22.6557 -22.6542 -22.0141 -22.0121 -21.9920 -21.9909 -14.2879 -14.2878 -6.4602 -6.4545 -5.8107 -5.8020 -5.7325 -5.7270 -0.8180 -0.8035 1.0212 1.0360 1.2129 1.2370 6.8366 6.8500 7.1032 7.1120 7.6872 7.7220 7.8412 7.8525 8.1651 8.1664 8.6845 8.6861 9.2599 9.2678 9.3782 9.3869 9.8499 9.8594 13.4069 13.4321 13.6391 13.6466 13.8434 13.8540 15.3347 15.3425 k = 0.2760-0.0008-0.2768 ( 2734 PWs) bands (ev): -45.9195 -45.9195 -22.6565 -22.6550 -22.0155 -22.0135 -21.9924 -21.9912 -14.2826 -14.2825 -6.4522 -6.4465 -5.8094 -5.8006 -5.7277 -5.7221 -0.8169 -0.8017 1.0208 1.0368 1.2121 1.2384 6.7904 6.8030 7.0507 7.0585 7.6288 7.6582 7.8247 7.8319 8.1317 8.1327 8.6851 8.6867 9.2652 9.2746 9.3495 9.3595 9.8642 9.8722 13.4516 13.4766 13.6771 13.6849 13.8895 13.9000 15.3474 15.3554 k = 0.2849-0.0008-0.2857 ( 2730 PWs) bands (ev): -45.9194 -45.9194 -22.6573 -22.6558 -22.0169 -22.0149 -21.9927 -21.9916 -14.2775 -14.2773 -6.4435 -6.4377 -5.8081 -5.7993 -5.7233 -5.7176 -0.8163 -0.8004 1.0196 1.0369 1.2108 1.2391 6.7456 6.7575 6.9991 7.0059 7.5688 7.5943 7.8074 7.8140 8.0988 8.0994 8.6901 8.6920 9.2660 9.2785 9.3241 9.3382 9.8798 9.8866 13.4963 13.5211 13.7144 13.7224 13.9349 13.9452 15.3591 15.3672 k = 0.2938-0.0008-0.2946 ( 2728 PWs) bands (ev): -45.9193 -45.9193 -22.6581 -22.6566 -22.0183 -22.0163 -21.9931 -21.9920 -14.2724 -14.2723 -6.4339 -6.4281 -5.8068 -5.7980 -5.7194 -5.7136 -0.8161 -0.7996 1.0177 1.0361 1.2092 1.2393 6.7022 6.7134 6.9484 6.9544 7.5083 7.5306 7.7900 7.7977 8.0666 8.0667 8.6991 8.7016 9.2573 9.2727 9.3097 9.3277 9.8967 9.9022 13.5409 13.5654 13.7509 13.7590 13.9794 13.9895 15.3697 15.3780 k = 0.3027-0.0008-0.3036 ( 2728 PWs) bands (ev): -45.9193 -45.9193 -22.6589 -22.6574 -22.0196 -22.0177 -21.9934 -21.9923 -14.2675 -14.2674 -6.4235 -6.4177 -5.8055 -5.7966 -5.7160 -5.7102 -0.8163 -0.7993 1.0150 1.0342 1.2075 1.2391 6.6602 6.6708 6.8989 6.9041 7.4477 7.4675 7.7730 7.7823 8.0347 8.0351 8.7113 8.7148 9.2395 9.2538 9.3103 9.3279 9.9146 9.9190 13.5853 13.6095 13.7865 13.7948 14.0229 14.0328 15.3794 15.3877 k = 0.3116-0.0009-0.3125 ( 2728 PWs) bands (ev): -45.9192 -45.9192 -22.6597 -22.6582 -22.0210 -22.0190 -21.9938 -21.9927 -14.2627 -14.2626 -6.4123 -6.4065 -5.8042 -5.7953 -5.7133 -5.7075 -0.8169 -0.7995 1.0114 1.0312 1.2060 1.2387 6.6197 6.6296 6.8508 6.8552 7.3876 7.4052 7.7566 7.7674 8.0036 8.0044 8.7262 8.7306 9.2183 9.2319 9.3164 9.3335 9.9333 9.9368 13.6292 13.6532 13.8210 13.8295 14.0654 14.0750 15.3880 15.3964 k = 0.3206-0.0009-0.3214 ( 2730 PWs) bands (ev): -45.9192 -45.9192 -22.6605 -22.6590 -22.0222 -22.0203 -21.9941 -21.9930 -14.2581 -14.2580 -6.4004 -6.3946 -5.8029 -5.7941 -5.7112 -5.7053 -0.8179 -0.8001 1.0068 1.0270 1.2049 1.2383 6.5806 6.5899 6.8041 6.8077 7.3283 7.3440 7.7411 7.7529 7.9733 7.9747 8.7428 8.7482 9.1973 9.2114 9.3241 9.3414 9.9526 9.9553 13.6726 13.6962 13.8545 13.8631 14.1066 14.1159 15.3957 15.4041 k = 0.3295-0.0009-0.3304 ( 2732 PWs) bands (ev): -45.9191 -45.9191 -22.6612 -22.6598 -22.0235 -22.0216 -21.9944 -21.9934 -14.2537 -14.2536 -6.3877 -6.3819 -5.8016 -5.7928 -5.7099 -5.7039 -0.8192 -0.8012 1.0014 1.0216 1.2042 1.2379 6.5431 6.5517 6.7590 6.7620 7.2702 7.2842 7.7262 7.7389 7.9440 7.9459 8.7598 8.7663 9.1789 9.1941 9.3322 9.3502 9.9724 9.9744 13.7153 13.7385 13.8867 13.8955 14.1466 14.1556 15.4023 15.4108 k = 0.3384-0.0009-0.3393 ( 2736 PWs) bands (ev): -45.9191 -45.9191 -22.6619 -22.6606 -22.0247 -22.0229 -21.9947 -21.9937 -14.2495 -14.2494 -6.3743 -6.3685 -5.8004 -5.7916 -5.7092 -5.7033 -0.8208 -0.8027 0.9952 1.0151 1.2041 1.2376 6.5070 6.5151 6.7157 6.7180 7.2136 7.2260 7.7122 7.7254 7.9158 7.9181 8.7761 8.7836 9.1643 9.1811 9.3407 9.3596 9.9924 9.9940 13.7571 13.7800 13.9178 13.9267 14.1852 14.1939 15.4080 15.4164 k = 0.3473-0.0010-0.3482 ( 2728 PWs) bands (ev): -45.9190 -45.9190 -22.6626 -22.6613 -22.0258 -22.0241 -21.9950 -21.9940 -14.2454 -14.2453 -6.3602 -6.3545 -5.7992 -5.7905 -5.7094 -5.7034 -0.8227 -0.8045 0.9883 1.0077 1.2045 1.2375 6.4725 6.4799 6.6743 6.6759 7.1586 7.1696 7.6990 7.7125 7.8888 7.8914 8.7903 8.7985 9.1551 9.1736 9.3492 9.3693 10.0124 10.0139 13.7979 13.8204 13.9474 13.9565 14.2224 14.2306 15.4127 15.4212 k = 0.3562-0.0010-0.3571 ( 2722 PWs) bands (ev): -45.9190 -45.9190 -22.6632 -22.6619 -22.0269 -22.0252 -21.9952 -21.9943 -14.2416 -14.2415 -6.3456 -6.3399 -5.7981 -5.7894 -5.7103 -5.7042 -0.8247 -0.8067 0.9807 0.9994 1.2056 1.2376 6.4395 6.4463 6.6350 6.6360 7.1056 7.1152 7.6866 7.7001 7.8628 7.8659 8.8010 8.8097 9.1522 9.1725 9.3577 9.3792 10.0322 10.0340 13.8375 13.8596 13.9757 13.9850 14.2579 14.2657 15.4166 15.4250 k = 0.3651-0.0010-0.3661 ( 2722 PWs) bands (ev): -45.9189 -45.9189 -22.6638 -22.6626 -22.0279 -22.0263 -21.9955 -21.9946 -14.2379 -14.2378 -6.3305 -6.3249 -5.7970 -5.7883 -5.7121 -5.7059 -0.8270 -0.8092 0.9726 0.9904 1.2071 1.2379 6.4081 6.4143 6.5978 6.5983 7.0546 7.0631 7.6750 7.6884 7.8381 7.8415 8.8074 8.8160 9.1564 9.1783 9.3662 9.3893 10.0518 10.0539 13.8758 13.8974 14.0026 14.0120 14.2917 14.2991 15.4197 15.4279 k = 0.3740-0.0010-0.3750 ( 2724 PWs) bands (ev): -45.9189 -45.9189 -22.6644 -22.6632 -22.0289 -22.0274 -21.9957 -21.9949 -14.2345 -14.2344 -6.3149 -6.3094 -5.7959 -5.7873 -5.7146 -5.7084 -0.8293 -0.8119 0.9642 0.9810 1.2091 1.2384 6.3782 6.3838 6.5626 6.5632 7.0060 7.0134 7.6643 7.6774 7.8146 7.8183 8.8091 8.8173 9.1672 9.1906 9.3747 9.3995 10.0710 10.0734 13.9127 13.9338 14.0279 14.0375 14.3237 14.3307 15.4220 15.4300 k = 0.3829-0.0010-0.3839 ( 2728 PWs) bands (ev): -45.9189 -45.9189 -22.6650 -22.6639 -22.0299 -22.0284 -21.9959 -21.9951 -14.2313 -14.2312 -6.2991 -6.2937 -5.7950 -5.7863 -5.7179 -5.7116 -0.8318 -0.8149 0.9556 0.9713 1.2114 1.2390 6.3500 6.3549 6.5296 6.5308 6.9598 6.9662 7.6544 7.6671 7.7924 7.7964 8.8068 8.8142 9.1837 9.2085 9.3832 9.4100 10.0897 10.0924 13.9479 13.9685 14.0517 14.0615 14.3539 14.3604 15.4235 15.4314 k = 0.3918-0.0011-0.3929 ( 2730 PWs) bands (ev): -45.9188 -45.9188 -22.6655 -22.6645 -22.0308 -22.0294 -21.9961 -21.9954 -14.2283 -14.2282 -6.2831 -6.2778 -5.7941 -5.7854 -5.7219 -5.7155 -0.8342 -0.8180 0.9469 0.9616 1.2140 1.2398 6.3233 6.3276 6.4990 6.5008 6.9162 6.9217 7.6455 7.6576 7.7714 7.7756 8.8012 8.8076 9.2044 9.2306 9.3919 9.4206 10.1078 10.1107 13.9814 14.0015 14.0739 14.0840 14.3821 14.3881 15.4245 15.4321 k = 0.4007-0.0011-0.4018 ( 2732 PWs) bands (ev): -45.9188 -45.9188 -22.6660 -22.6650 -22.0316 -22.0303 -21.9963 -21.9956 -14.2255 -14.2255 -6.2671 -6.2620 -5.7933 -5.7845 -5.7265 -5.7200 -0.8366 -0.8212 0.9385 0.9520 1.2168 1.2407 6.2983 6.3021 6.4711 6.4734 6.8755 6.8801 7.6376 7.6490 7.7517 7.7561 8.7933 8.7988 9.2274 9.2552 9.4009 9.4316 10.1250 10.1281 14.0129 14.0325 14.0945 14.1049 14.4082 14.4138 15.4249 15.4322 k = 0.4096-0.0011-0.4107 ( 2732 PWs) bands (ev): -45.9188 -45.9188 -22.6664 -22.6655 -22.0323 -22.0311 -21.9965 -21.9959 -14.2230 -14.2229 -6.2512 -6.2462 -5.7926 -5.7838 -5.7317 -5.7250 -0.8389 -0.8244 0.9303 0.9426 1.2196 1.2415 6.2750 6.2783 6.4458 6.4485 6.8376 6.8415 7.6306 7.6413 7.7333 7.7379 8.7841 8.7886 9.2513 9.2806 9.4104 9.4429 10.1414 10.1446 14.0424 14.0615 14.1133 14.1241 14.4323 14.4373 15.4248 15.4318 k = 0.4185-0.0011-0.4196 ( 2732 PWs) bands (ev): -45.9187 -45.9187 -22.6668 -22.6660 -22.0330 -22.0319 -21.9967 -21.9961 -14.2207 -14.2206 -6.2356 -6.2308 -5.7921 -5.7831 -5.7374 -5.7305 -0.8411 -0.8276 0.9225 0.9337 1.2225 1.2424 6.2535 6.2563 6.4231 6.4261 6.8028 6.8060 7.6246 7.6345 7.7163 7.7209 8.7743 8.7779 9.2748 9.3051 9.4209 9.4547 10.1567 10.1599 14.0696 14.0883 14.1305 14.1417 14.4542 14.4588 15.4244 15.4309 k = 0.4274-0.0012-0.4286 ( 2728 PWs) bands (ev): -45.9187 -45.9187 -22.6671 -22.6664 -22.0336 -22.0326 -21.9968 -21.9962 -14.2186 -14.2186 -6.2204 -6.2160 -5.7916 -5.7824 -5.7434 -5.7362 -0.8431 -0.8307 0.9153 0.9253 1.2253 1.2431 6.2338 6.2363 6.4031 6.4063 6.7712 6.7738 7.6196 7.6287 7.7005 7.7051 8.7644 8.7674 9.2968 9.3272 9.4328 9.4667 10.1708 10.1739 14.0945 14.1127 14.1460 14.1576 14.4739 14.4780 15.4237 15.4297 k = 0.4363-0.0012-0.4375 ( 2730 PWs) bands (ev): -45.9187 -45.9187 -22.6674 -22.6668 -22.0341 -22.0332 -21.9969 -21.9964 -14.2168 -14.2168 -6.2060 -6.2019 -5.7913 -5.7820 -5.7494 -5.7420 -0.8449 -0.8338 0.9087 0.9176 1.2281 1.2438 6.2162 6.2182 6.3857 6.3889 6.7429 6.7449 7.6157 7.6240 7.6860 7.6907 8.7550 8.7573 9.3165 9.3458 9.4463 9.4790 10.1836 10.1865 14.1169 14.1346 14.1597 14.1718 14.4914 14.4950 15.4228 15.4283 k = 0.4452-0.0012-0.4464 ( 2728 PWs) bands (ev): -45.9187 -45.9187 -22.6677 -22.6671 -22.0345 -22.0338 -21.9970 -21.9966 -14.2152 -14.2152 -6.1925 -6.1888 -5.7911 -5.7816 -5.7554 -5.7477 -0.8464 -0.8367 0.9029 0.9106 1.2308 1.2443 6.2005 6.2023 6.3709 6.3740 6.7180 6.7195 7.6128 7.6204 7.6729 7.6775 8.7463 8.7481 9.3337 9.3603 9.4613 9.4911 10.1950 10.1977 14.1366 14.1539 14.1717 14.1843 14.5067 14.5098 15.4219 15.4268 k = 0.4541-0.0012-0.4554 ( 2724 PWs) bands (ev): -45.9187 -45.9187 -22.6679 -22.6674 -22.0349 -22.0342 -21.9970 -21.9967 -14.2138 -14.2138 -6.1803 -6.1770 -5.7910 -5.7816 -5.7609 -5.7531 -0.8476 -0.8393 0.8980 0.9044 1.2333 1.2446 6.1871 6.1886 6.3586 6.3614 6.6966 6.6978 7.6111 7.6179 7.6610 7.6655 8.7386 8.7400 9.3482 9.3710 9.4769 9.5025 10.2049 10.2073 14.1536 14.1702 14.1822 14.1949 14.5197 14.5223 15.4210 15.4252 k = 0.4630-0.0013-0.4643 ( 2728 PWs) bands (ev): -45.9186 -45.9186 -22.6681 -22.6677 -22.0352 -22.0347 -21.9971 -21.9968 -14.2127 -14.2127 -6.1696 -6.1668 -5.7911 -5.7820 -5.7655 -5.7579 -0.8485 -0.8417 0.8939 0.8991 1.2355 1.2447 6.1759 6.1771 6.3486 6.3511 6.6788 6.6796 7.6104 7.6166 7.6504 7.6549 8.7320 8.7331 9.3600 9.3784 9.4918 9.5127 10.2132 10.2153 14.1678 14.1829 14.1917 14.2037 14.5304 14.5325 15.4202 15.4236 k = 0.4719-0.0013-0.4732 ( 2728 PWs) bands (ev): -45.9186 -45.9186 -22.6682 -22.6679 -22.0354 -22.0350 -21.9971 -21.9969 -14.2118 -14.2118 -6.1607 -6.1585 -5.7911 -5.7831 -5.7688 -5.7620 -0.8490 -0.8438 0.8908 0.8948 1.2376 1.2446 6.1670 6.1680 6.3410 6.3430 6.6647 6.6653 7.6109 7.6165 7.6412 7.6455 8.7268 8.7275 9.3693 9.3832 9.5052 9.5210 10.2199 10.2215 14.1793 14.1913 14.2007 14.2106 14.5389 14.5405 15.4196 15.4222 k = 0.4808-0.0013-0.4821 ( 2728 PWs) bands (ev): -45.9186 -45.9186 -22.6683 -22.6681 -22.0356 -22.0353 -21.9972 -21.9970 -14.2112 -14.2112 -6.1539 -6.1523 -5.7909 -5.7850 -5.7704 -5.7653 -0.8492 -0.8456 0.8887 0.8914 1.2394 1.2442 6.1606 6.1612 6.3357 6.3371 6.6545 6.6548 7.6126 7.6176 7.6332 7.6374 8.7229 8.7234 9.3764 9.3858 9.5161 9.5268 10.2249 10.2260 14.1880 14.1962 14.2085 14.2153 14.5451 14.5462 15.4192 15.4210 k = 0.4897-0.0013-0.4911 ( 2724 PWs) bands (ev): -45.9186 -45.9186 -22.6683 -22.6682 -22.0356 -22.0355 -21.9971 -21.9971 -14.2108 -14.2108 -6.1494 -6.1485 -5.7904 -5.7871 -5.7706 -5.7678 -0.8490 -0.8471 0.8876 0.8891 1.2410 1.2435 6.1566 6.1570 6.3325 6.3333 6.6481 6.6483 7.6154 7.6200 7.6264 7.6307 8.7205 8.7208 9.3816 9.3865 9.5240 9.5297 10.2281 10.2287 14.1940 14.1984 14.2142 14.2177 14.5491 14.5497 15.4191 15.4201 k = 0.4986-0.0014-0.5000 ( 2716 PWs) bands (ev): -45.9186 -45.9186 -22.6682 -22.6682 -22.0356 -22.0356 -21.9971 -21.9971 -14.2106 -14.2106 -6.1473 -6.1472 -5.7893 -5.7889 -5.7699 -5.7695 -0.8484 -0.8482 0.8876 0.8878 1.2423 1.2426 6.1552 6.1552 6.3315 6.3316 6.6456 6.6456 7.6194 7.6208 7.6239 7.6253 8.7196 8.7197 9.3849 9.3855 9.5287 9.5295 10.2296 10.2297 14.1975 14.1981 14.2174 14.2178 14.5508 14.5509 15.4193 15.4195 k = 0.5014 0.4973-0.0027 ( 2716 PWs) bands (ev): -45.9186 -45.9186 -22.6682 -22.6682 -22.0356 -22.0356 -21.9971 -21.9971 -14.2106 -14.2106 -6.1474 -6.1472 -5.7893 -5.7889 -5.7699 -5.7695 -0.8484 -0.8482 0.8876 0.8878 1.2423 1.2426 6.1552 6.1552 6.3315 6.3316 6.6456 6.6456 7.6194 7.6208 7.6239 7.6253 8.7196 8.7197 9.3848 9.3855 9.5287 9.5294 10.2296 10.2297 14.1975 14.1981 14.2174 14.2178 14.5508 14.5509 15.4193 15.4195 k = 0.5000 0.4986-0.0027 ( 2716 PWs) bands (ev): -45.9186 -45.9186 -22.6682 -22.6682 -22.0356 -22.0356 -21.9971 -21.9971 -14.2106 -14.2106 -6.1473 -6.1473 -5.7891 -5.7891 -5.7697 -5.7697 -0.8483 -0.8483 0.8877 0.8877 1.2425 1.2425 6.1552 6.1552 6.3315 6.3315 6.6456 6.6456 7.6201 7.6201 7.6246 7.6246 8.7196 8.7196 9.3852 9.3852 9.5291 9.5291 10.2296 10.2296 14.1978 14.1978 14.2176 14.2176 14.5509 14.5509 15.4194 15.4194 k = 0.5000 0.4986-0.0027 ( 2716 PWs) bands (ev): -45.9186 -45.9186 -22.6682 -22.6682 -22.0356 -22.0356 -21.9971 -21.9971 -14.2106 -14.2106 -6.1473 -6.1473 -5.7891 -5.7891 -5.7697 -5.7697 -0.8483 -0.8483 0.8877 0.8877 1.2425 1.2425 6.1552 6.1552 6.3315 6.3315 6.6456 6.6456 7.6201 7.6201 7.6246 7.6246 8.7196 8.7196 9.3852 9.3852 9.5291 9.5291 10.2296 10.2296 14.1978 14.1978 14.2176 14.2176 14.5509 14.5509 15.4194 15.4194 k = 0.5000 0.4987 0.0097 ( 2718 PWs) bands (ev): -45.9186 -45.9186 -22.6683 -22.6682 -22.0356 -22.0356 -21.9972 -21.9971 -14.2105 -14.2105 -6.1466 -6.1464 -5.7890 -5.7887 -5.7695 -5.7695 -0.8508 -0.8479 0.8865 0.8865 1.2385 1.2423 6.1548 6.1557 6.3342 6.3344 6.6455 6.6456 7.6203 7.6209 7.6257 7.6257 8.7150 8.7154 9.3863 9.3864 9.5296 9.5300 10.2297 10.2298 14.1975 14.1990 14.2180 14.2182 14.5512 14.5513 15.4239 15.4252 k = 0.5001 0.4987 0.0221 ( 2722 PWs) bands (ev): -45.9186 -45.9186 -22.6684 -22.6683 -22.0356 -22.0356 -21.9974 -21.9973 -14.2102 -14.2102 -6.1443 -6.1441 -5.7883 -5.7877 -5.7688 -5.7688 -0.8553 -0.8496 0.8829 0.8829 1.2304 1.2380 6.1548 6.1564 6.3426 6.3429 6.6455 6.6455 7.6215 7.6227 7.6291 7.6291 8.7017 8.7025 9.3898 9.3899 9.5315 9.5321 10.2301 10.2301 14.1980 14.2010 14.2194 14.2199 14.5523 14.5524 15.4388 15.4412 k = 0.5001 0.4987 0.0346 ( 2722 PWs) bands (ev): -45.9186 -45.9186 -22.6685 -22.6683 -22.0356 -22.0355 -21.9978 -21.9975 -14.2097 -14.2097 -6.1405 -6.1402 -5.7871 -5.7862 -5.7677 -5.7677 -0.8619 -0.8534 0.8770 0.8771 1.2184 1.2296 6.1549 6.1571 6.3564 6.3570 6.6455 6.6455 7.6236 7.6254 7.6347 7.6349 8.6800 8.6812 9.3956 9.3957 9.5347 9.5356 10.2306 10.2306 14.1991 14.2038 14.2220 14.2230 14.5541 14.5542 15.4636 15.4671 k = 0.5001 0.4988 0.0470 ( 2724 PWs) bands (ev): -45.9186 -45.9186 -22.6687 -22.6684 -22.0355 -22.0355 -21.9982 -21.9978 -14.2090 -14.2090 -6.1352 -6.1348 -5.7854 -5.7842 -5.7661 -5.7661 -0.8705 -0.8592 0.8688 0.8689 1.2024 1.2172 6.1552 6.1579 6.3757 6.3766 6.6455 6.6455 7.6265 7.6290 7.6425 7.6428 8.6503 8.6518 9.4036 9.4037 9.5392 9.5404 10.2313 10.2313 14.2009 14.2070 14.2262 14.2276 14.5566 14.5568 15.4979 15.5023 k = 0.5002 0.4988 0.0594 ( 2730 PWs) bands (ev): -45.9186 -45.9186 -22.6689 -22.6686 -22.0355 -22.0355 -21.9988 -21.9983 -14.2082 -14.2082 -6.1285 -6.1279 -5.7832 -5.7816 -5.7641 -5.7641 -0.8810 -0.8671 0.8583 0.8585 1.1829 1.2010 6.1556 6.1586 6.4003 6.4015 6.6454 6.6454 7.6301 7.6335 7.6522 7.6527 8.6132 8.6150 9.4137 9.4137 9.5451 9.5466 10.2322 10.2322 14.2034 14.2105 14.2322 14.2340 14.5598 14.5600 15.5410 15.5463 k = 0.5002 0.4988 0.0719 ( 2734 PWs) bands (ev): -45.9186 -45.9186 -22.6692 -22.6688 -22.0355 -22.0355 -21.9995 -21.9989 -14.2071 -14.2071 -6.1203 -6.1196 -5.7804 -5.7786 -5.7617 -5.7617 -0.8934 -0.8769 0.8457 0.8459 1.1598 1.1812 6.1560 6.1592 6.4300 6.4314 6.6454 6.6454 7.6344 7.6386 7.6638 7.6644 8.5694 8.5712 9.4258 9.4259 9.5523 9.5540 10.2333 10.2333 14.2066 14.2146 14.2402 14.2421 14.5638 14.5640 15.5922 15.5982 k = 0.5002 0.4989 0.0843 ( 2739 PWs) bands (ev): -45.9185 -45.9185 -22.6695 -22.6690 -22.0354 -22.0354 -22.0002 -21.9996 -14.2059 -14.2058 -6.1106 -6.1099 -5.7771 -5.7750 -5.7588 -5.7588 -0.9076 -0.8885 0.8311 0.8313 1.1336 1.1581 6.1564 6.1596 6.4645 6.4661 6.6454 6.6455 7.6391 7.6443 7.6771 7.6778 8.5195 8.5214 9.4398 9.4400 9.5609 9.5627 10.2346 10.2347 14.2110 14.2194 14.2500 14.2519 14.5684 14.5686 15.6507 15.6572 k = 0.5003 0.4989 0.0967 ( 2736 PWs) bands (ev): -45.9185 -45.9185 -22.6698 -22.6692 -22.0354 -22.0353 -22.0010 -22.0003 -14.2044 -14.2044 -6.0997 -6.0988 -5.7734 -5.7710 -5.7556 -5.7556 -0.9234 -0.9020 0.8146 0.8148 1.1044 1.1318 6.1568 6.1600 6.5035 6.5051 6.6454 6.6456 7.6442 7.6504 7.6916 7.6926 8.4643 8.4662 9.4557 9.4561 9.5709 9.5728 10.2361 10.2361 14.2165 14.2251 14.2615 14.2633 14.5736 14.5738 15.7155 15.7224 k = 0.5003 0.4989 0.1092 ( 2741 PWs) bands (ev): -45.9185 -45.9185 -22.6701 -22.6695 -22.0353 -22.0353 -22.0020 -22.0012 -14.2029 -14.2028 -6.0874 -6.0864 -5.7692 -5.7665 -5.7519 -5.7519 -0.9408 -0.9172 0.7962 0.7965 1.0726 1.1026 6.1571 6.1602 6.5466 6.5479 6.6454 6.6459 7.6494 7.6568 7.7072 7.7085 8.4047 8.4065 9.4736 9.4741 9.5823 9.5842 10.2377 10.2378 14.2234 14.2321 14.2746 14.2763 14.5795 14.5797 15.7857 15.7930 k = 0.5003 0.4990 0.1216 ( 2738 PWs) bands (ev): -45.9185 -45.9185 -22.6705 -22.6698 -22.0353 -22.0352 -22.0030 -22.0021 -14.2011 -14.2011 -6.0739 -6.0728 -5.7646 -5.7616 -5.7479 -5.7479 -0.9597 -0.9340 0.7762 0.7765 1.0386 1.0709 6.1573 6.1603 6.5933 6.5936 6.6455 6.6469 7.6544 7.6630 7.7235 7.7250 8.3419 8.3434 9.4933 9.4940 9.5951 9.5971 10.2395 10.2396 14.2317 14.2404 14.2891 14.2906 14.5860 14.5862 15.8605 15.8679 k = 0.5004 0.4990 0.1340 ( 2736 PWs) bands (ev): -45.9184 -45.9184 -22.6709 -22.6701 -22.0352 -22.0351 -22.0040 -22.0031 -14.1992 -14.1992 -6.0592 -6.0581 -5.7595 -5.7563 -5.7436 -5.7435 -0.9799 -0.9522 0.7546 0.7550 1.0025 1.0370 6.1574 6.1603 6.6347 6.6404 6.6487 6.6555 7.6588 7.6687 7.7399 7.7418 8.2769 8.2780 9.5148 9.5157 9.6095 9.6115 10.2414 10.2416 14.2416 14.2500 14.3049 14.3063 14.5931 14.5932 15.9388 15.9463 k = 0.5004 0.4990 0.1464 ( 2734 PWs) bands (ev): -45.9184 -45.9184 -22.6713 -22.6705 -22.0351 -22.0350 -22.0051 -22.0042 -14.1972 -14.1972 -6.0434 -6.0422 -5.7541 -5.7506 -5.7389 -5.7389 -1.0013 -0.9719 0.7317 0.7321 0.9648 1.0011 6.1574 6.1601 6.6428 6.6449 6.6973 6.6998 7.6621 7.6733 7.7559 7.7583 8.2113 8.2118 9.5382 9.5392 9.6255 9.6275 10.2435 10.2438 14.2530 14.2611 14.3219 14.3232 14.6007 14.6007 16.0197 16.0272 k = 0.5004 0.4991 0.1589 ( 2736 PWs) bands (ev): -45.9184 -45.9184 -22.6717 -22.6709 -22.0350 -22.0350 -22.0063 -22.0053 -14.1951 -14.1951 -6.0267 -6.0253 -5.7483 -5.7445 -5.7340 -5.7339 -1.0238 -0.9927 0.7076 0.7080 0.9257 0.9636 6.1571 6.1597 6.6439 6.6452 6.7526 6.7534 7.6632 7.6755 7.7707 7.7737 8.1469 8.1475 9.5633 9.5645 9.6430 9.6450 10.2458 10.2460 14.2658 14.2736 14.3401 14.3413 14.6087 14.6088 16.1023 16.1098 k = 0.5005 0.4991 0.1713 ( 2730 PWs) bands (ev): -45.9183 -45.9183 -22.6721 -22.6712 -22.0349 -22.0348 -22.0075 -22.0065 -14.1928 -14.1928 -6.0090 -6.0076 -5.7422 -5.7381 -5.7287 -5.7286 -1.0472 -1.0147 0.6824 0.6829 0.8856 0.9248 6.1567 6.1592 6.6443 6.6453 6.8093 6.8100 7.6606 7.6737 7.7834 7.7868 8.0864 8.0885 9.5902 9.5915 9.6622 9.6642 10.2481 10.2484 14.2800 14.2875 14.3593 14.3605 14.6172 14.6173 16.1854 16.1929 k = 0.5005 0.4991 0.1837 ( 2728 PWs) bands (ev): -45.9183 -45.9183 -22.6726 -22.6717 -22.0348 -22.0347 -22.0088 -22.0077 -14.1905 -14.1905 -5.9905 -5.9890 -5.7358 -5.7315 -5.7232 -5.7230 -1.0713 -1.0376 0.6563 0.6569 0.8447 0.8850 6.1560 6.1583 6.6446 6.6454 6.8665 6.8688 7.6516 7.6645 7.7929 7.7961 8.0347 8.0389 9.6187 9.6202 9.6830 9.6850 10.2506 10.2509 14.2956 14.3026 14.3795 14.3805 14.6260 14.6262 16.2683 16.2758 k = 0.5005 0.4992 0.1962 ( 2726 PWs) bands (ev): -45.9183 -45.9183 -22.6731 -22.6721 -22.0347 -22.0346 -22.0101 -22.0090 -14.1881 -14.1881 -5.9713 -5.9697 -5.7292 -5.7246 -5.7175 -5.7173 -1.0960 -1.0614 0.6296 0.6302 0.8034 0.8444 6.1551 6.1572 6.6448 6.6456 6.9244 6.9286 7.6326 7.6437 7.7990 7.8006 7.9972 8.0035 9.6487 9.6503 9.7055 9.7075 10.2531 10.2535 14.3124 14.3189 14.4005 14.4015 14.6352 14.6355 16.3498 16.3573 k = 0.5006 0.4992 0.2086 ( 2732 PWs) bands (ev): -45.9182 -45.9182 -22.6736 -22.6726 -22.0346 -22.0346 -22.0115 -22.0103 -14.1856 -14.1856 -5.9515 -5.9498 -5.7224 -5.7175 -5.7116 -5.7113 -1.1212 -1.0857 0.6023 0.6030 0.7619 0.8034 6.1538 6.1558 6.6450 6.6458 6.9824 6.9888 7.6000 7.6082 7.8009 7.8032 7.9767 7.9845 9.6801 9.6819 9.7297 9.7316 10.2557 10.2562 14.3302 14.3363 14.4223 14.4232 14.6447 14.6450 16.4289 16.4365 k = 0.5006 0.4992 0.2210 ( 2726 PWs) bands (ev): -45.9182 -45.9182 -22.6741 -22.6731 -22.0345 -22.0344 -22.0129 -22.0117 -14.1831 -14.1830 -5.9312 -5.9294 -5.7155 -5.7103 -5.7055 -5.7051 -1.1466 -1.1106 0.5747 0.5754 0.7205 0.7622 6.1521 6.1540 6.6453 6.6460 7.0401 7.0488 7.5535 7.5589 7.8004 7.8078 7.9711 7.9791 9.7129 9.7147 9.7554 9.7573 10.2583 10.2589 14.3490 14.3546 14.4447 14.4455 14.6544 14.6548 16.5046 16.5124 k = 0.5006 0.4993 0.2335 ( 2728 PWs) bands (ev): -45.9182 -45.9182 -22.6746 -22.6736 -22.0344 -22.0343 -22.0143 -22.0130 -14.1805 -14.1805 -5.9106 -5.9086 -5.7085 -5.7031 -5.6992 -5.6987 -1.1722 -1.1359 0.5470 0.5477 0.6794 0.7211 6.1499 6.1517 6.6456 6.6462 7.0967 7.1081 7.4967 7.4999 7.8015 7.8141 7.9748 7.9824 9.7468 9.7486 9.7826 9.7845 10.2610 10.2617 14.3686 14.3738 14.4676 14.4683 14.6643 14.6648 16.5758 16.5840 k = 0.5007 0.4993 0.2459 ( 2730 PWs) bands (ev): -45.9181 -45.9181 -22.6751 -22.6741 -22.0344 -22.0343 -22.0157 -22.0144 -14.1779 -14.1779 -5.8897 -5.8876 -5.7014 -5.6959 -5.6926 -5.6921 -1.1978 -1.1613 0.5192 0.5200 0.6388 0.6803 6.1473 6.1489 6.6458 6.6464 7.1514 7.1657 7.4340 7.4359 7.8049 7.8222 7.9834 7.9906 9.7815 9.7834 9.8112 9.8132 10.2638 10.2645 14.3889 14.3936 14.4908 14.4916 14.6743 14.6750 16.6416 16.6503 k = 0.5007 0.4993 0.2583 ( 2730 PWs) bands (ev): -45.9181 -45.9181 -22.6756 -22.6746 -22.0343 -22.0342 -22.0170 -22.0158 -14.1753 -14.1753 -5.8686 -5.8665 -5.6944 -5.6890 -5.6857 -5.6854 -1.2232 -1.1868 0.4915 0.4924 0.5991 0.6400 6.1440 6.1455 6.6461 6.6467 7.2022 7.2194 7.3704 7.3713 7.8106 7.8320 7.9944 8.0012 9.8171 9.8189 9.8411 9.8431 10.2665 10.2674 14.4097 14.4140 14.5144 14.5151 14.6845 14.6852 16.7012 16.7106 k = 0.5007 0.4994 0.2708 ( 2728 PWs) bands (ev): -45.9180 -45.9180 -22.6761 -22.6751 -22.0342 -22.0341 -22.0184 -22.0171 -14.1727 -14.1727 -5.8476 -5.8454 -5.6875 -5.6823 -5.6786 -5.6786 -1.2483 -1.2122 0.4642 0.4652 0.5603 0.6005 6.1400 6.1414 6.6464 6.6470 7.2386 7.2544 7.3184 7.3225 7.8182 7.8434 8.0063 8.0128 9.8530 9.8549 9.8721 9.8741 10.2692 10.2702 14.4308 14.4347 14.5381 14.5388 14.6947 14.6955 16.7538 16.7642 k = 0.5008 0.4994 0.2832 ( 2742 PWs) bands (ev): -45.9180 -45.9180 -22.6767 -22.6757 -22.0342 -22.0340 -22.0197 -22.0185 -14.1701 -14.1701 -5.8268 -5.8244 -5.6808 -5.6758 -5.6718 -5.6713 -1.2729 -1.2373 0.4373 0.4384 0.5227 0.5619 6.1353 6.1366 6.6468 6.6473 7.2132 7.2175 7.3255 7.3445 7.8276 7.8562 8.0184 8.0245 9.8892 9.8910 9.9039 9.9061 10.2719 10.2731 14.4521 14.4555 14.5618 14.5625 14.7049 14.7058 16.7990 16.8107 k = 0.5008 0.4994 0.2956 ( 2736 PWs) bands (ev): -45.9180 -45.9180 -22.6771 -22.6762 -22.0341 -22.0339 -22.0210 -22.0198 -14.1676 -14.1676 -5.8062 -5.8037 -5.6742 -5.6695 -5.6648 -5.6640 -1.2968 -1.2620 0.4111 0.4123 0.4864 0.5245 6.1298 6.1309 6.6471 6.6476 7.1544 7.1566 7.3647 7.3890 7.8389 7.8705 8.0300 8.0360 9.9253 9.9270 9.9366 9.9388 10.2746 10.2759 14.4734 14.4765 14.5854 14.5861 14.7151 14.7160 16.8369 16.8499 k = 0.5009 0.4995 0.3081 ( 2732 PWs) bands (ev): -45.9179 -45.9179 -22.6776 -22.6767 -22.0340 -22.0339 -22.0222 -22.0210 -14.1652 -14.1651 -5.7861 -5.7834 -5.6679 -5.6632 -5.6579 -5.6569 -1.3200 -1.2861 0.3857 0.3870 0.4517 0.4883 6.1234 6.1244 6.6474 6.6479 7.0936 7.0953 7.4050 7.4327 7.8522 7.8863 8.0411 8.0470 9.9609 9.9624 9.9699 9.9721 10.2772 10.2786 14.4945 14.4972 14.6088 14.6094 14.7251 14.7262 16.8676 16.8822 k = 0.5009 0.4995 0.3205 ( 2740 PWs) bands (ev): -45.9179 -45.9179 -22.6781 -22.6772 -22.0340 -22.0338 -22.0235 -22.0223 -14.1628 -14.1628 -5.7665 -5.7637 -5.6617 -5.6572 -5.6511 -5.6498 -1.3423 -1.3096 0.3612 0.3626 0.4186 0.4536 6.1161 6.1169 6.6477 6.6482 7.0349 7.0364 7.4427 7.4727 7.8677 7.9034 8.0515 8.0573 9.9958 9.9967 10.0038 10.0057 10.2797 10.2813 14.5152 14.5177 14.6318 14.6324 14.7351 14.7362 16.8916 16.9079 k = 0.5009 0.4995 0.3329 ( 2738 PWs) bands (ev): -45.9179 -45.9179 -22.6785 -22.6777 -22.0339 -22.0338 -22.0246 -22.0235 -14.1605 -14.1605 -5.7477 -5.7446 -5.6558 -5.6513 -5.6444 -5.6430 -1.3636 -1.3322 0.3377 0.3392 0.3873 0.4205 6.1078 6.1085 6.6481 6.6485 6.9797 6.9810 7.4767 7.5083 7.8853 7.9218 8.0610 8.0669 10.0296 10.0300 10.0377 10.0393 10.2821 10.2839 14.5354 14.5376 14.6542 14.6548 14.7449 14.7460 16.9098 16.9278 k = 0.5010 0.4996 0.3454 ( 2741 PWs) bands (ev): -45.9178 -45.9178 -22.6790 -22.6782 -22.0339 -22.0337 -22.0257 -22.0246 -14.1583 -14.1583 -5.7297 -5.7264 -5.6501 -5.6455 -5.6378 -5.6365 -1.3837 -1.3539 0.3154 0.3170 0.3580 0.3891 6.0985 6.0991 6.6484 6.6488 6.9285 6.9296 7.5069 7.5389 7.9050 7.9412 8.0697 8.0757 10.0621 10.0623 10.0711 10.0724 10.2844 10.2865 14.5549 14.5568 14.6760 14.6765 14.7545 14.7557 16.9231 16.9428 k = 0.5010 0.4996 0.3578 ( 2748 PWs) bands (ev): -45.9178 -45.9178 -22.6794 -22.6786 -22.0339 -22.0337 -22.0267 -22.0257 -14.1562 -14.1562 -5.7127 -5.7092 -5.6447 -5.6400 -5.6316 -5.6302 -1.4026 -1.3744 0.2944 0.2962 0.3306 0.3596 6.0884 6.0889 6.6487 6.6491 6.8816 6.8826 7.5331 7.5648 7.9265 7.9614 8.0775 8.0837 10.0931 10.0937 10.1033 10.1045 10.2866 10.2890 14.5735 14.5752 14.6969 14.6974 14.7639 14.7651 16.9323 16.9537 k = 0.5010 0.4997 0.3702 ( 2746 PWs) bands (ev): -45.9178 -45.9178 -22.6798 -22.6791 -22.0338 -22.0337 -22.0276 -22.0266 -14.1542 -14.1542 -5.6969 -5.6931 -5.6395 -5.6345 -5.6257 -5.6244 -1.4200 -1.3938 0.2748 0.2767 0.3054 0.3320 6.0776 6.0780 6.6490 6.6493 6.8392 6.8402 7.5557 7.5860 7.9492 7.9818 8.0845 8.0909 10.1226 10.1237 10.1341 10.1353 10.2887 10.2913 14.5910 14.5925 14.7168 14.7173 14.7730 14.7741 16.9386 16.9613 k = 0.5011 0.4997 0.3827 ( 2750 PWs) bands (ev): -45.9177 -45.9177 -22.6801 -22.6795 -22.0339 -22.0337 -22.0285 -22.0275 -14.1524 -14.1524 -5.6825 -5.6784 -5.6346 -5.6293 -5.6201 -5.6189 -1.4361 -1.4119 0.2567 0.2588 0.2824 0.3066 6.0663 6.0666 6.6493 6.6496 6.8016 6.8024 7.5749 7.6032 7.9725 8.0020 8.0907 8.0975 10.1505 10.1519 10.1629 10.1642 10.2906 10.2936 14.6074 14.6086 14.7356 14.7361 14.7817 14.7828 16.9426 16.9665 k = 0.5011 0.4997 0.3951 ( 2750 PWs) bands (ev): -45.9177 -45.9177 -22.6804 -22.6798 -22.0339 -22.0337 -22.0292 -22.0283 -14.1508 -14.1508 -5.6695 -5.6651 -5.6297 -5.6241 -5.6148 -5.6139 -1.4505 -1.4286 0.2403 0.2424 0.2616 0.2833 6.0547 6.0549 6.6496 6.6498 6.7685 6.7692 7.5910 7.6168 7.9956 8.0212 8.0962 8.1034 10.1764 10.1782 10.1897 10.1911 10.2924 10.2958 14.6223 14.6234 14.7530 14.7535 14.7900 14.7911 16.9453 16.9699 k = 0.5011 0.4998 0.4075 ( 2750 PWs) bands (ev): -45.9177 -45.9177 -22.6807 -22.6802 -22.0339 -22.0338 -22.0298 -22.0290 -14.1493 -14.1493 -5.6582 -5.6536 -5.6250 -5.6191 -5.6101 -5.6094 -1.4634 -1.4437 0.2256 0.2278 0.2432 0.2622 6.0432 6.0433 6.6498 6.6500 6.7401 6.7406 7.6045 7.6275 8.0177 8.0391 8.1010 8.1088 10.2001 10.2023 10.2140 10.2156 10.2941 10.2980 14.6357 14.6367 14.7690 14.7693 14.7978 14.7988 16.9472 16.9720 k = 0.5012 0.4998 0.4199 ( 2753 PWs) bands (ev): -45.9177 -45.9177 -22.6810 -22.6805 -22.0340 -22.0339 -22.0303 -22.0296 -14.1480 -14.1480 -5.6487 -5.6440 -5.6201 -5.6142 -5.6057 -5.6053 -1.4745 -1.4573 0.2128 0.2149 0.2272 0.2435 6.0321 6.0322 6.6500 6.6502 6.7159 6.7164 7.6157 7.6356 8.0382 8.0551 8.1053 8.1137 10.2211 10.2237 10.2357 10.2374 10.2957 10.3001 14.6476 14.6484 14.7832 14.7835 14.8051 14.8060 16.9489 16.9730 k = 0.5012 0.4998 0.4324 ( 2760 PWs) bands (ev): -45.9177 -45.9177 -22.6812 -22.6808 -22.0342 -22.0341 -22.0307 -22.0301 -14.1468 -14.1468 -5.6411 -5.6367 -5.6152 -5.6096 -5.6019 -5.6017 -1.4839 -1.4692 0.2019 0.2039 0.2135 0.2271 6.0218 6.0219 6.6502 6.6504 6.6960 6.6963 7.6249 7.6417 8.0565 8.0687 8.1092 8.1183 10.2393 10.2424 10.2544 10.2563 10.2972 10.3023 14.6578 14.6584 14.7956 14.7958 14.8117 14.8124 16.9509 16.9730 k = 0.5012 0.4999 0.4448 ( 2770 PWs) bands (ev): -45.9177 -45.9177 -22.6814 -22.6811 -22.0343 -22.0343 -22.0310 -22.0305 -14.1459 -14.1459 -5.6351 -5.6314 -5.6103 -5.6054 -5.5985 -5.5985 -1.4914 -1.4794 0.1930 0.1948 0.2022 0.2132 6.0127 6.0127 6.6504 6.6505 6.6799 6.6802 7.6324 7.6460 8.0720 8.0797 8.1128 8.1223 10.2544 10.2579 10.2699 10.2719 10.2990 10.3045 14.6662 14.6667 14.8059 14.8061 14.8175 14.8181 16.9534 16.9717 k = 0.5013 0.4999 0.4572 ( 2784 PWs) bands (ev): -45.9177 -45.9177 -22.6816 -22.6813 -22.0345 -22.0345 -22.0312 -22.0309 -14.1451 -14.1451 -5.6307 -5.6278 -5.6059 -5.6021 -5.5957 -5.5956 -1.4971 -1.4878 0.1863 0.1877 0.1933 0.2018 6.0051 6.0051 6.6505 6.6506 6.6675 6.6677 7.6384 7.6488 8.0840 8.0881 8.1165 8.1257 10.2662 10.2700 10.2820 10.2838 10.3013 10.3069 14.6729 14.6733 14.8140 14.8140 14.8226 14.8230 16.9563 16.9687 k = 0.5013 0.4999 0.4697 ( 2800 PWs) bands (ev): -45.9177 -45.9177 -22.6817 -22.6816 -22.0347 -22.0347 -22.0314 -22.0311 -14.1446 -14.1446 -5.6275 -5.6256 -5.6025 -5.5998 -5.5934 -5.5933 -1.5009 -1.4944 0.1817 0.1825 0.1868 0.1929 5.9993 5.9993 6.6506 6.6507 6.6587 6.6588 7.6431 7.6503 8.0924 8.0939 8.1203 8.1280 10.2747 10.2782 10.2906 10.2917 10.3047 10.3093 14.6778 14.6781 14.8196 14.8196 14.8268 14.8270 16.9588 16.9643 k = 0.5013 0.5000 0.4821 ( 2800 PWs) bands (ev): -45.9176 -45.9176 -22.6818 -22.6817 -22.0348 -22.0348 -22.0314 -22.0313 -14.1442 -14.1442 -5.6255 -5.6244 -5.6001 -5.5986 -5.5917 -5.5917 -1.5028 -1.4990 0.1791 0.1794 0.1829 0.1866 5.9956 5.9956 6.6506 6.6506 6.6532 6.6533 7.6466 7.6507 8.0972 8.0975 8.1240 8.1289 10.2801 10.2825 10.2958 10.2961 10.3084 10.3111 14.6810 14.6811 14.8229 14.8230 14.8297 14.8298 16.9592 16.9601 k = 0.5014 0.5000 0.4945 ( 2800 PWs) bands (ev): -45.9176 -45.9176 -22.6818 -22.6817 -22.0348 -22.0348 -22.0314 -22.0314 -14.1441 -14.1441 -5.6244 -5.6242 -5.5988 -5.5985 -5.5909 -5.5909 -1.5028 -1.5018 0.1781 0.1781 0.1820 0.1830 5.9940 5.9940 6.6502 6.6502 6.6513 6.6513 7.6489 7.6499 8.0991 8.0991 8.1268 8.1281 10.2829 10.2835 10.2978 10.2978 10.3109 10.3115 14.6823 14.6824 14.8243 14.8243 14.8310 14.8310 16.9583 16.9583 k = 0.5014 0.5000 0.4945 ( 2800 PWs) bands (ev): -45.9176 -45.9176 -22.6818 -22.6817 -22.0348 -22.0348 -22.0314 -22.0314 -14.1441 -14.1441 -5.6244 -5.6242 -5.5988 -5.5985 -5.5909 -5.5909 -1.5028 -1.5018 0.1781 0.1781 0.1820 0.1830 5.9940 5.9940 6.6502 6.6502 6.6513 6.6513 7.6489 7.6499 8.0991 8.0991 8.1268 8.1281 10.2829 10.2835 10.2978 10.2978 10.3109 10.3115 14.6823 14.6824 14.8243 14.8243 14.8310 14.8310 16.9583 16.9591 k = 0.5000 0.4986 0.4973 ( 2800 PWs) bands (ev): -45.9176 -45.9176 -22.6818 -22.6818 -22.0348 -22.0348 -22.0314 -22.0314 -14.1441 -14.1441 -5.6243 -5.6243 -5.5986 -5.5986 -5.5909 -5.5909 -1.5024 -1.5024 0.1781 0.1781 0.1824 0.1824 5.9939 5.9939 6.6502 6.6502 6.6512 6.6512 7.6495 7.6495 8.0992 8.0992 8.1275 8.1275 10.2833 10.2833 10.2979 10.2979 10.3113 10.3113 14.6824 14.6824 14.8243 14.8243 14.8311 14.8311 16.9582 16.9583 k = 0.5000-0.0014-0.0014 ( 2750 PWs) bands (ev): -45.9196 -45.9196 -22.6543 -22.6543 -22.0192 -22.0192 -21.9816 -21.9816 -14.2865 -14.2865 -6.7318 -6.7318 -5.7959 -5.7959 -5.5401 -5.5401 -0.7328 -0.7328 1.1611 1.1611 1.3180 1.3180 6.4292 6.4292 7.6378 7.6378 7.6535 7.6535 8.1991 8.1991 8.2490 8.2490 8.6276 8.6276 8.7203 8.7203 9.3741 9.3741 9.5022 9.5022 12.8869 12.8869 14.1306 14.1306 14.2264 14.2264 14.8137 14.8137 k = 0.5000 0.0075 0.0075 ( 2752 PWs) bands (ev): -45.9196 -45.9196 -22.6544 -22.6543 -22.0192 -22.0192 -21.9816 -21.9816 -14.2863 -14.2863 -6.7310 -6.7310 -5.7958 -5.7958 -5.5405 -5.5404 -0.7331 -0.7329 1.1610 1.1610 1.3171 1.3176 6.4286 6.4292 7.6375 7.6383 7.6527 7.6535 8.1912 8.1942 8.2423 8.2425 8.6328 8.6334 8.7280 8.7283 9.3710 9.3717 9.5006 9.5007 12.8890 12.8890 14.1304 14.1308 14.2257 14.2267 14.8166 14.8175 k = 0.5001 0.0164 0.0164 ( 2750 PWs) bands (ev): -45.9196 -45.9196 -22.6544 -22.6543 -22.0193 -22.0191 -21.9817 -21.9817 -14.2860 -14.2860 -6.7288 -6.7287 -5.7954 -5.7954 -5.5416 -5.5415 -0.7337 -0.7334 1.1606 1.1606 1.3150 1.3160 6.4275 6.4287 7.6371 7.6390 7.6510 7.6524 8.1690 8.1757 8.2261 8.2267 8.6481 8.6490 8.7499 8.7506 9.3623 9.3638 9.4961 9.4963 12.8954 12.8955 14.1302 14.1310 14.2246 14.2266 14.8262 14.8279 k = 0.5001 0.0253 0.0253 ( 2750 PWs) bands (ev): -45.9196 -45.9196 -22.6546 -22.6544 -22.0194 -22.0192 -21.9819 -21.9819 -14.2854 -14.2854 -6.7250 -6.7249 -5.7947 -5.7947 -5.5434 -5.5432 -0.7347 -0.7342 1.1599 1.1600 1.3117 1.3132 6.4258 6.4276 7.6360 7.6396 7.6491 7.6505 8.1326 8.1425 8.2064 8.2077 8.6714 8.6722 8.7829 8.7837 9.3483 9.3504 9.4888 9.4890 12.9060 12.9061 14.1300 14.1313 14.2233 14.2262 14.8423 14.8448 k = 0.5002 0.0342 0.0342 ( 2752 PWs) bands (ev): -45.9196 -45.9196 -22.6547 -22.6545 -22.0195 -22.0192 -21.9822 -21.9822 -14.2846 -14.2846 -6.7197 -6.7197 -5.7937 -5.7937 -5.5459 -5.5457 -0.7361 -0.7355 1.1587 1.1589 1.3073 1.3093 6.4235 6.4259 7.6329 7.6393 7.6479 7.6485 8.0853 8.0978 8.1861 8.1877 8.7007 8.7014 8.8232 8.8240 9.3289 9.3317 9.4787 9.4790 12.9207 12.9209 14.1300 14.1316 14.2218 14.2255 14.8647 14.8679 k = 0.5002 0.0432 0.0430 ( 2754 PWs) bands (ev): -45.9196 -45.9196 -22.6550 -22.6547 -22.0196 -22.0193 -21.9826 -21.9826 -14.2836 -14.2836 -6.7130 -6.7129 -5.7924 -5.7924 -5.5491 -5.5487 -0.7380 -0.7372 1.1570 1.1573 1.3019 1.3044 6.4208 6.4237 7.6268 7.6361 7.6479 7.6480 8.0315 8.0463 8.1655 8.1670 8.7347 8.7351 8.8678 8.8683 9.3044 9.3079 9.4663 9.4666 12.9394 12.9397 14.1300 14.1320 14.2203 14.2247 14.8933 14.8971 k = 0.5003 0.0521 0.0519 ( 2755 PWs) bands (ev): -45.9196 -45.9196 -22.6552 -22.6549 -22.0198 -22.0194 -21.9831 -21.9830 -14.2823 -14.2823 -6.7047 -6.7047 -5.7909 -5.7909 -5.5528 -5.5525 -0.7402 -0.7394 1.1546 1.1551 1.2956 1.2986 6.4177 6.4211 7.6177 7.6295 7.6488 7.6489 7.9743 7.9915 8.1446 8.1460 8.7723 8.7724 8.9145 8.9147 9.2750 9.2792 9.4518 9.4521 12.9620 12.9623 14.1303 14.1326 14.2189 14.2239 14.9278 14.9320 k = 0.5003 0.0610 0.0608 ( 2747 PWs) bands (ev): -45.9196 -45.9196 -22.6555 -22.6551 -22.0199 -22.0195 -21.9835 -21.9835 -14.2809 -14.2808 -6.6950 -6.6949 -5.7890 -5.7890 -5.5572 -5.5567 -0.7430 -0.7422 1.1511 1.1518 1.2888 1.2921 6.4141 6.4181 7.6052 7.6195 7.6502 7.6503 7.9164 7.9360 8.1239 8.1250 8.8127 8.8127 8.9616 8.9621 9.2410 9.2461 9.4354 9.4357 12.9882 12.9886 14.1309 14.1336 14.2177 14.2233 14.9678 14.9724 k = 0.5004 0.0699 0.0697 ( 2751 PWs) bands (ev): -45.9195 -45.9195 -22.6558 -22.6554 -22.0201 -22.0197 -21.9841 -21.9841 -14.2792 -14.2792 -6.6839 -6.6838 -5.7870 -5.7870 -5.5620 -5.5615 -0.7464 -0.7457 1.1465 1.1474 1.2815 1.2852 6.4103 6.4147 7.5886 7.6056 7.6513 7.6518 7.8598 7.8821 8.1037 8.1046 8.8551 8.8554 9.0079 9.0095 9.2028 9.2090 9.4178 9.4180 13.0178 13.0183 14.1320 14.1349 14.2170 14.2229 15.0130 15.0179 k = 0.5004 0.0788 0.0786 ( 2750 PWs) bands (ev): -45.9195 -45.9195 -22.6562 -22.6557 -22.0203 -22.0198 -21.9848 -21.9848 -14.2773 -14.2773 -6.6714 -6.6712 -5.7846 -5.7846 -5.5674 -5.5668 -0.7504 -0.7498 1.1403 1.1413 1.2741 1.2779 6.4061 6.4110 7.5669 7.5863 7.6521 7.6529 7.8074 7.8320 8.0843 8.0850 8.8993 8.8998 9.0520 9.0557 9.1612 9.1694 9.3993 9.3994 13.0507 13.0512 14.1335 14.1366 14.2166 14.2228 15.0632 15.0683 k = 0.5005 0.0877 0.0874 ( 2752 PWs) bands (ev): -45.9195 -45.9195 -22.6566 -22.6561 -22.0206 -22.0200 -21.9855 -21.9855 -14.2752 -14.2752 -6.6574 -6.6573 -5.7820 -5.7820 -5.5731 -5.5725 -0.7551 -0.7547 1.1324 1.1335 1.2667 1.2705 6.4018 6.4070 7.5388 7.5596 7.6521 7.6532 7.7617 7.7874 8.0661 8.0666 8.9445 8.9455 9.0838 9.0933 9.1234 9.1376 9.3805 9.3805 13.0865 13.0871 14.1356 14.1390 14.2169 14.2233 15.1178 15.1231 k = 0.5005 0.0966 0.0963 ( 2749 PWs) bands (ev): -45.9195 -45.9195 -22.6570 -22.6565 -22.0208 -22.0202 -21.9863 -21.9863 -14.2729 -14.2729 -6.6421 -6.6419 -5.7792 -5.7792 -5.5792 -5.5786 -0.7605 -0.7605 1.1225 1.1236 1.2596 1.2631 6.3973 6.4029 7.5039 7.5243 7.6512 7.6526 7.7247 7.7498 8.0492 8.0494 8.9897 8.9917 9.0612 9.0615 9.1512 9.1561 9.3618 9.3621 13.1251 13.1257 14.1384 14.1419 14.2178 14.2244 15.1767 15.1821 k = 0.5006 0.1055 0.1052 ( 2746 PWs) bands (ev): -45.9194 -45.9194 -22.6575 -22.6569 -22.0211 -22.0204 -21.9872 -21.9872 -14.2704 -14.2704 -6.6255 -6.6253 -5.7761 -5.7761 -5.5856 -5.5849 -0.7671 -0.7668 1.1105 1.1114 1.2527 1.2557 6.3928 6.3986 7.4629 7.4812 7.6489 7.6507 7.6962 7.7189 8.0335 8.0336 9.0063 9.0081 9.0403 9.0431 9.1936 9.1952 9.3442 9.3449 13.1661 13.1668 14.1420 14.1456 14.2195 14.2261 15.2395 15.2449 k = 0.5006 0.1144 0.1141 ( 2744 PWs) bands (ev): -45.9194 -45.9194 -22.6580 -22.6573 -22.0214 -22.0206 -21.9881 -21.9881 -14.2678 -14.2678 -6.6076 -6.6074 -5.7728 -5.7728 -5.5922 -5.5914 -0.7746 -0.7738 1.0964 1.0971 1.2460 1.2482 6.3882 6.3942 7.4176 7.4328 7.6448 7.6470 7.6744 7.6939 8.0190 8.0194 8.9543 8.9559 9.0859 9.0860 9.2350 9.2352 9.3288 9.3302 13.2094 13.2102 14.1463 14.1501 14.2220 14.2287 15.3058 15.3112 k = 0.5007 0.1233 0.1230 ( 2744 PWs) bands (ev): -45.9193 -45.9193 -22.6585 -22.6578 -22.0217 -22.0209 -21.9891 -21.9891 -14.2650 -14.2650 -6.5885 -6.5882 -5.7693 -5.7692 -5.5989 -5.5981 -0.7831 -0.7818 1.0803 1.0805 1.2394 1.2405 6.3838 6.3899 7.3700 7.3821 7.6384 7.6407 7.6573 7.6733 8.0059 8.0065 8.8973 8.8998 9.1301 9.1306 9.2722 9.2748 9.3177 9.3211 13.2547 13.2555 14.1516 14.1555 14.2254 14.2321 15.3754 15.3807 k = 0.5007 0.1322 0.1318 ( 2748 PWs) bands (ev): -45.9193 -45.9193 -22.6591 -22.6583 -22.0220 -22.0212 -21.9902 -21.9902 -14.2620 -14.2620 -6.5681 -6.5677 -5.7655 -5.7655 -5.6057 -5.6049 -0.7927 -0.7908 1.0620 1.0622 1.2324 1.2325 6.3795 6.3855 7.3219 7.3311 7.6290 7.6308 7.6443 7.6562 7.9940 7.9948 8.8386 8.8414 9.1702 9.1712 9.2976 9.3029 9.3233 9.3291 13.3016 13.3025 14.1578 14.1618 14.2297 14.2364 15.4478 15.4531 k = 0.5008 0.1411 0.1407 ( 2744 PWs) bands (ev): -45.9193 -45.9193 -22.6596 -22.6589 -22.0223 -22.0215 -21.9913 -21.9912 -14.2589 -14.2589 -6.5466 -6.5462 -5.7616 -5.7615 -5.6125 -5.6116 -0.8033 -0.8007 1.0416 1.0423 1.2236 1.2250 6.3753 6.3812 7.2749 7.2815 7.6164 7.6179 7.6332 7.6416 7.9832 7.9843 8.7787 8.7816 9.2010 9.2023 9.3111 9.3133 9.3571 9.3597 13.3501 13.3510 14.1649 14.1690 14.2350 14.2416 15.5227 15.5280 k = 0.5008 0.1500 0.1496 ( 2744 PWs) bands (ev): -45.9192 -45.9192 -22.6603 -22.6595 -22.0226 -22.0218 -21.9924 -21.9924 -14.2556 -14.2556 -6.5239 -6.5235 -5.7574 -5.7574 -5.6192 -5.6183 -0.8149 -0.8116 1.0195 1.0207 1.2138 1.2167 6.3714 6.3771 7.2301 7.2342 7.6012 7.6037 7.6215 7.6279 7.9733 7.9745 8.7180 8.7209 9.2178 9.2193 9.3358 9.3369 9.3935 9.3948 13.3998 13.4008 14.1731 14.1772 14.2414 14.2479 15.5999 15.6051 k = 0.5009 0.1589 0.1585 ( 2746 PWs) bands (ev): -45.9192 -45.9192 -22.6609 -22.6601 -22.0230 -22.0221 -21.9937 -21.9936 -14.2522 -14.2522 -6.5002 -6.4997 -5.7531 -5.7531 -5.6258 -5.6249 -0.8276 -0.8235 0.9960 0.9978 1.2027 1.2072 6.3676 6.3730 7.1882 7.1899 7.5844 7.5888 7.6082 7.6136 7.9641 7.9656 8.6571 8.6599 9.2246 9.2259 9.3723 9.3732 9.4292 9.4298 13.4504 13.4515 14.1823 14.1864 14.2489 14.2553 15.6790 15.6841 k = 0.5009 0.1678 0.1674 ( 2748 PWs) bands (ev): -45.9191 -45.9191 -22.6616 -22.6607 -22.0234 -22.0224 -21.9949 -21.9949 -14.2487 -14.2487 -6.4755 -6.4749 -5.7486 -5.7486 -5.6321 -5.6312 -0.8415 -0.8365 0.9712 0.9735 1.1901 1.1963 6.3642 6.3690 7.1494 7.1499 7.5663 7.5730 7.5929 7.5979 7.9555 7.9571 8.5967 8.5991 9.2284 9.2295 9.4144 9.4153 9.4641 9.4642 13.5018 13.5030 14.1925 14.1967 14.2574 14.2638 15.7597 15.7647 k = 0.5010 0.1767 0.1762 ( 2746 PWs) bands (ev): -45.9191 -45.9191 -22.6622 -22.6614 -22.0237 -22.0227 -21.9962 -21.9961 -14.2451 -14.2451 -6.4498 -6.4492 -5.7440 -5.7439 -5.6382 -5.6373 -0.8563 -0.8504 0.9453 0.9481 1.1759 1.1838 6.3609 6.3651 7.1129 7.1158 7.5468 7.5562 7.5753 7.5802 7.9473 7.9491 8.5371 8.5393 9.2330 9.2339 9.4582 9.4594 9.4982 9.4983 13.5538 13.5550 14.2038 14.2079 14.2672 14.2734 15.8416 15.8466 k = 0.5010 0.1856 0.1851 ( 2746 PWs) bands (ev): -45.9190 -45.9190 -22.6629 -22.6620 -22.0241 -22.0231 -21.9975 -21.9974 -14.2414 -14.2414 -6.4232 -6.4225 -5.7392 -5.7392 -5.6440 -5.6431 -0.8723 -0.8654 0.9184 0.9217 1.1597 1.1694 6.3578 6.3613 7.0810 7.0862 7.5260 7.5381 7.5556 7.5604 7.9394 7.9413 8.4791 8.4809 9.2402 9.2409 9.5017 9.5032 9.5323 9.5325 13.6061 13.6074 14.2160 14.2202 14.2780 14.2841 15.9245 15.9294 k = 0.5011 0.1945 0.1940 ( 2742 PWs) bands (ev): -45.9190 -45.9190 -22.6636 -22.6627 -22.0244 -22.0234 -21.9988 -21.9988 -14.2376 -14.2376 -6.3958 -6.3951 -5.7344 -5.7342 -5.6494 -5.6484 -0.8892 -0.8813 0.8907 0.8944 1.1415 1.1530 6.3548 6.3576 7.0538 7.0615 7.5037 7.5185 7.5338 7.5384 7.9317 7.9337 8.4233 8.4247 9.2506 9.2512 9.5426 9.5445 9.5679 9.5680 13.6586 13.6599 14.2293 14.2334 14.2901 14.2960 16.0081 16.0128 k = 0.5011 0.2034 0.2029 ( 2742 PWs) bands (ev): -45.9189 -45.9189 -22.6644 -22.6634 -22.0248 -22.0238 -22.0002 -22.0002 -14.2338 -14.2338 -6.3677 -6.3669 -5.7294 -5.7292 -5.6544 -5.6534 -0.9071 -0.8983 0.8622 0.8664 1.1212 1.1345 6.3519 6.3538 7.0314 7.0418 7.4797 7.4968 7.5101 7.5142 7.9240 7.9261 8.3702 8.3713 9.2646 9.2650 9.5790 9.5811 9.6067 9.6068 13.7110 13.7123 14.2436 14.2477 14.3032 14.3090 16.0919 16.0965 k = 0.5012 0.2123 0.2117 ( 2744 PWs) bands (ev): -45.9188 -45.9188 -22.6651 -22.6642 -22.0252 -22.0242 -22.0016 -22.0015 -14.2299 -14.2299 -6.3389 -6.3380 -5.7243 -5.7241 -5.6588 -5.6578 -0.9260 -0.9161 0.8332 0.8378 1.0986 1.1138 6.3489 6.3499 7.0140 7.0273 7.4539 7.4727 7.4851 7.4877 7.9164 7.9186 8.3206 8.3213 9.2822 9.2825 9.6113 9.6136 9.6478 9.6481 13.7632 13.7646 14.2588 14.2628 14.3175 14.3232 16.1757 16.1802 k = 0.5012 0.2212 0.2206 ( 2736 PWs) bands (ev): -45.9188 -45.9188 -22.6658 -22.6649 -22.0256 -22.0245 -22.0030 -22.0029 -14.2259 -14.2259 -6.3094 -6.3084 -5.7192 -5.7190 -5.6627 -5.6617 -0.9457 -0.9348 0.8038 0.8087 1.0738 1.0908 6.3458 6.3459 7.0015 7.0179 7.4262 7.4458 7.4590 7.4591 7.9087 7.9110 8.2750 8.2754 9.3034 9.3036 9.6415 9.6439 9.6894 9.6899 13.8149 13.8164 14.2749 14.2789 14.3329 14.3384 16.2591 16.2635 k = 0.5013 0.2301 0.2295 ( 2739 PWs) bands (ev): -45.9187 -45.9187 -22.6666 -22.6656 -22.0260 -22.0249 -22.0044 -22.0043 -14.2220 -14.2220 -6.2795 -6.2784 -5.7141 -5.7138 -5.6661 -5.6650 -0.9663 -0.9543 0.7739 0.7793 1.0468 1.0655 6.3417 6.3424 6.9937 7.0136 7.3968 7.4161 7.4284 7.4322 7.9010 7.9034 8.2339 8.2341 9.3280 9.3281 9.6704 9.6728 9.7305 9.7311 13.8661 13.8676 14.2919 14.2958 14.3493 14.3546 16.3417 16.3460 k = 0.5013 0.2390 0.2384 ( 2738 PWs) bands (ev): -45.9187 -45.9187 -22.6674 -22.6664 -22.0264 -22.0253 -22.0058 -22.0057 -14.2180 -14.2180 -6.2490 -6.2479 -5.7090 -5.7086 -5.6688 -5.6677 -0.9876 -0.9746 0.7439 0.7495 1.0176 1.0380 6.3372 6.3386 6.9902 7.0138 7.3656 7.3842 7.3960 7.4044 7.8933 7.8956 8.1977 8.1977 9.3559 9.3559 9.6984 9.7009 9.7705 9.7712 13.9166 13.9181 14.3098 14.3136 14.3667 14.3718 16.4233 16.4274 k = 0.5014 0.2479 0.2473 ( 2735 PWs) bands (ev): -45.9186 -45.9186 -22.6681 -22.6671 -22.0268 -22.0257 -22.0072 -22.0071 -14.2140 -14.2140 -6.2182 -6.2170 -5.7040 -5.7035 -5.6709 -5.6696 -1.0096 -0.9956 0.7137 0.7196 0.9864 1.0084 6.3324 6.3344 6.9903 7.0182 7.3331 7.3505 7.3624 7.3760 7.8856 7.8878 8.1665 8.1665 9.3866 9.3867 9.7257 9.7283 9.8094 9.8102 13.9663 13.9678 14.3283 14.3321 14.3850 14.3899 16.5033 16.5073 k = 0.5014 0.2568 0.2561 ( 2738 PWs) bands (ev): -45.9186 -45.9186 -22.6689 -22.6679 -22.0272 -22.0261 -22.0087 -22.0086 -14.2100 -14.2100 -6.1872 -6.1858 -5.6991 -5.6985 -5.6722 -5.6708 -1.0323 -1.0172 0.6835 0.6897 0.9532 0.9767 6.3272 6.3297 6.9930 7.0257 7.2997 7.3155 7.3282 7.3479 7.8782 7.8800 8.1403 8.1403 9.4201 9.4202 9.7524 9.7551 9.8469 9.8477 14.0150 14.0165 14.3477 14.3513 14.4042 14.4088 16.5813 16.5853 k = 0.5015 0.2658 0.2650 ( 2736 PWs) bands (ev): -45.9185 -45.9185 -22.6696 -22.6686 -22.0276 -22.0265 -22.0101 -22.0100 -14.2060 -14.2060 -6.1559 -6.1545 -5.6945 -5.6937 -5.6726 -5.6711 -1.0554 -1.0394 0.6534 0.6598 0.9183 0.9432 6.3215 6.3243 6.9969 7.0345 7.2662 7.2795 7.2948 7.3215 7.8711 7.8724 8.1189 8.1191 9.4559 9.4562 9.7788 9.7815 9.8829 9.8838 14.0625 14.0641 14.3676 14.3711 14.4241 14.4285 16.6569 16.6607 k = 0.5015 0.2747 0.2739 ( 2738 PWs) bands (ev): -45.9185 -45.9185 -22.6704 -22.6694 -22.0280 -22.0269 -22.0115 -22.0114 -14.2021 -14.2021 -6.1246 -6.1231 -5.6903 -5.6893 -5.6721 -5.6705 -1.0790 -1.0621 0.6234 0.6301 0.8818 0.9080 6.3152 6.3183 6.9996 7.0418 7.2331 7.2429 7.2649 7.2989 7.8648 7.8652 8.1020 8.1022 9.4938 9.4942 9.8048 9.8075 9.9173 9.9183 14.1089 14.1104 14.3882 14.3915 14.4446 14.4488 16.7296 16.7332 k = 0.5016 0.2836 0.2828 ( 2742 PWs) bands (ev): -45.9184 -45.9184 -22.6712 -22.6702 -22.0284 -22.0273 -22.0129 -22.0128 -14.1982 -14.1982 -6.0932 -6.0916 -5.6865 -5.6855 -5.6705 -5.6687 -1.1030 -1.0852 0.5938 0.6006 0.8440 0.8713 6.3083 6.3114 6.9987 7.0429 7.1998 7.2060 7.2440 7.2829 7.8586 7.8594 8.0889 8.0893 9.5336 9.5340 9.8304 9.8332 9.9502 9.9513 14.1538 14.1553 14.4093 14.4125 14.4657 14.4697 16.7987 16.8021 k = 0.5016 0.2925 0.2917 ( 2744 PWs) bands (ev): -45.9183 -45.9183 -22.6719 -22.6709 -22.0287 -22.0277 -22.0143 -22.0142 -14.1944 -14.1944 -6.0620 -6.0603 -5.6833 -5.6822 -5.6677 -5.6660 -1.1272 -1.1087 0.5646 0.5715 0.8051 0.8334 6.3005 6.3036 6.9915 7.0333 7.1654 7.1690 7.2381 7.2759 7.8530 7.8553 8.0792 8.0797 9.5748 9.5753 9.8559 9.8587 9.9815 9.9827 14.1974 14.1988 14.4309 14.4340 14.4871 14.4909 16.8636 16.8669 k = 0.5017 0.3014 0.3005 ( 2744 PWs) bands (ev): -45.9183 -45.9183 -22.6726 -22.6717 -22.0291 -22.0281 -22.0156 -22.0155 -14.1906 -14.1906 -6.0309 -6.0292 -5.6804 -5.6793 -5.6640 -5.6624 -1.1516 -1.1323 0.5358 0.5428 0.7654 0.7945 6.2919 6.2949 6.9768 7.0123 7.1300 7.1322 7.2479 7.2794 7.8486 7.8527 8.0723 8.0728 9.6172 9.6178 9.8812 9.8839 10.0112 10.0124 14.2393 14.2407 14.4529 14.4558 14.5089 14.5125 16.9235 16.9266 k = 0.5017 0.3103 0.3094 ( 2742 PWs) bands (ev): -45.9182 -45.9182 -22.6733 -22.6724 -22.0294 -22.0285 -22.0170 -22.0168 -14.1870 -14.1870 -6.0002 -5.9984 -5.6776 -5.6766 -5.6597 -5.6583 -1.1760 -1.1562 0.5076 0.5146 0.7251 0.7549 6.2823 6.2851 6.9555 6.9837 7.0943 7.0958 7.2691 7.2923 7.8456 7.8518 8.0678 8.0683 9.6605 9.6612 9.9063 9.9090 10.0393 10.0406 14.2796 14.2809 14.4753 14.4781 14.5309 14.5342 16.9778 16.9807 k = 0.5018 0.3192 0.3183 ( 2744 PWs) bands (ev): -45.9182 -45.9182 -22.6740 -22.6731 -22.0298 -22.0289 -22.0182 -22.0181 -14.1834 -14.1834 -5.9698 -5.9681 -5.6746 -5.6737 -5.6552 -5.6538 -1.2004 -1.1801 0.4801 0.4871 0.6845 0.7148 6.2716 6.2740 6.9297 6.9514 7.0588 7.0599 7.2974 7.3127 7.8443 7.8528 8.0651 8.0657 9.7043 9.7051 9.9313 9.9340 10.0658 10.0671 14.3181 14.3193 14.4980 14.5006 14.5529 14.5560 17.0256 17.0283 k = 0.5018 0.3281 0.3272 ( 2740 PWs) bands (ev): -45.9181 -45.9181 -22.6747 -22.6738 -22.0301 -22.0293 -22.0195 -22.0193 -14.1799 -14.1799 -5.9400 -5.9383 -5.6715 -5.6706 -5.6505 -5.6493 -1.2246 -1.2040 0.4534 0.4603 0.6440 0.6745 6.2596 6.2618 6.9016 6.9181 7.0239 7.0247 7.3299 7.3381 7.8448 7.8559 8.0640 8.0646 9.7485 9.7494 9.9562 9.9588 10.0907 10.0921 14.3547 14.3558 14.5210 14.5234 14.5748 14.5777 17.0662 17.0687 k = 0.5018 0.3370 0.3361 ( 2746 PWs) bands (ev): -45.9181 -45.9181 -22.6754 -22.6745 -22.0305 -22.0297 -22.0207 -22.0205 -14.1765 -14.1765 -5.9108 -5.9091 -5.6681 -5.6671 -5.6458 -5.6446 -1.2486 -1.2277 0.4275 0.4343 0.6037 0.6343 6.2463 6.2482 6.8728 6.8853 6.9897 6.9904 7.3645 7.3667 7.8474 7.8611 8.0642 8.0648 9.7927 9.7937 9.9809 9.9835 10.1140 10.1155 14.3894 14.3904 14.5442 14.5464 14.5965 14.5992 17.0988 17.1012 k = 0.5019 0.3459 0.3449 ( 2744 PWs) bands (ev): -45.9180 -45.9180 -22.6760 -22.6752 -22.0308 -22.0300 -22.0219 -22.0217 -14.1733 -14.1733 -5.8824 -5.8807 -5.6644 -5.6634 -5.6412 -5.6400 -1.2722 -1.2511 0.4025 0.4092 0.5640 0.5945 6.2317 6.2332 6.8447 6.8541 6.9566 6.9571 7.3967 7.3999 7.8522 7.8687 8.0653 8.0660 9.8365 9.8377 10.0056 10.0080 10.1358 10.1374 14.4221 14.4229 14.5675 14.5695 14.6179 14.6204 17.1232 17.1253 k = 0.5019 0.3548 0.3538 ( 2744 PWs) bands (ev): -45.9180 -45.9180 -22.6766 -22.6758 -22.0311 -22.0304 -22.0230 -22.0227 -14.1702 -14.1702 -5.8548 -5.8532 -5.6606 -5.6595 -5.6366 -5.6355 -1.2953 -1.2743 0.3785 0.3851 0.5251 0.5553 6.2158 6.2171 6.8179 6.8251 6.9245 6.9250 7.4269 7.4348 7.8595 7.8786 8.0673 8.0679 9.8799 9.8812 10.0301 10.0324 10.1561 10.1578 14.4527 14.4533 14.5909 14.5926 14.6388 14.6411 17.1392 17.1412 k = 0.5020 0.3637 0.3627 ( 2741 PWs) bands (ev): -45.9180 -45.9180 -22.6772 -22.6764 -22.0314 -22.0307 -22.0240 -22.0237 -14.1672 -14.1672 -5.8282 -5.8267 -5.6565 -5.6553 -5.6322 -5.6311 -1.3178 -1.2969 0.3556 0.3620 0.4873 0.5170 6.1988 6.1997 6.7932 6.7986 6.8938 6.8942 7.4564 7.4682 7.8695 7.8909 8.0698 8.0705 9.9223 9.9238 10.0544 10.0566 10.1749 10.1767 14.4812 14.4816 14.6140 14.6155 14.6591 14.6612 17.1471 17.1491 k = 0.5020 0.3726 0.3716 ( 2741 PWs) bands (ev): -45.9179 -45.9179 -22.6777 -22.6770 -22.0317 -22.0311 -22.0250 -22.0247 -14.1644 -14.1644 -5.8026 -5.8012 -5.6523 -5.6509 -5.6279 -5.6268 -1.3395 -1.3190 0.3338 0.3400 0.4508 0.4798 6.1807 6.1815 6.7707 6.7747 6.8644 6.8648 7.4843 7.4992 7.8823 7.9057 8.0729 8.0736 9.9636 9.9653 10.0784 10.0805 10.1923 10.1942 14.5076 14.5079 14.6369 14.6382 14.6787 14.6806 17.1476 17.1496 k = 0.5021 0.3815 0.3805 ( 2743 PWs) bands (ev): -45.9179 -45.9179 -22.6782 -22.6776 -22.0320 -22.0315 -22.0259 -22.0256 -14.1617 -14.1617 -5.7783 -5.7771 -5.6480 -5.6464 -5.6238 -5.6227 -1.3604 -1.3403 0.3133 0.3191 0.4159 0.4439 6.1620 6.1625 6.7506 6.7535 6.8367 6.8370 7.5100 7.5274 7.8979 7.9226 8.0762 8.0770 10.0036 10.0054 10.1020 10.1039 10.2082 10.2103 14.5320 14.5321 14.6594 14.6604 14.6975 14.6992 17.1417 17.1440 k = 0.5021 0.3904 0.3893 ( 2744 PWs) bands (ev): -45.9178 -45.9178 -22.6787 -22.6781 -22.0322 -22.0318 -22.0268 -22.0265 -14.1592 -14.1592 -5.7552 -5.7543 -5.6436 -5.6418 -5.6198 -5.6187 -1.3803 -1.3608 0.2940 0.2996 0.3828 0.4097 6.1428 6.1432 6.7328 6.7350 6.8105 6.8108 7.5332 7.5521 7.9161 7.9414 8.0797 8.0807 10.0418 10.0438 10.1251 10.1269 10.2229 10.2251 14.5543 14.5544 14.6811 14.6819 14.7153 14.7169 17.1307 17.1333 k = 0.5022 0.3993 0.3982 ( 2744 PWs) bands (ev): -45.9178 -45.9178 -22.6792 -22.6786 -22.0325 -22.0321 -22.0276 -22.0272 -14.1569 -14.1569 -5.7336 -5.7329 -5.6393 -5.6372 -5.6161 -5.6150 -1.3990 -1.3804 0.2761 0.2813 0.3517 0.3772 6.1235 6.1238 6.7173 6.7189 6.7861 6.7864 7.5537 7.5733 7.9365 7.9616 8.0834 8.0845 10.0781 10.0803 10.1476 10.1493 10.2362 10.2386 14.5746 14.5749 14.7020 14.7026 14.7322 14.7336 17.1157 17.1188 k = 0.5022 0.4082 0.4071 ( 2744 PWs) bands (ev): -45.9178 -45.9178 -22.6796 -22.6790 -22.0328 -22.0325 -22.0283 -22.0279 -14.1548 -14.1547 -5.7135 -5.7132 -5.6350 -5.6327 -5.6125 -5.6114 -1.4166 -1.3989 0.2595 0.2643 0.3227 0.3467 6.1045 6.1047 6.7040 6.7051 6.7635 6.7638 7.5716 7.5912 7.9585 7.9825 8.0871 8.0884 10.1121 10.1147 10.1692 10.1708 10.2483 10.2508 14.5931 14.5934 14.7217 14.7222 14.7479 14.7491 17.0980 17.1017 k = 0.5023 0.4171 0.4160 ( 2742 PWs) bands (ev): -45.9177 -45.9177 -22.6800 -22.6794 -22.0330 -22.0328 -22.0289 -22.0285 -14.1528 -14.1528 -5.6952 -5.6951 -5.6309 -5.6281 -5.6092 -5.6081 -1.4328 -1.4163 0.2444 0.2488 0.2961 0.3184 6.0862 6.0863 6.6926 6.6934 6.7428 6.7431 7.5871 7.6059 7.9813 8.0035 8.0908 8.0925 10.1437 10.1466 10.1898 10.1913 10.2591 10.2619 14.6098 14.6102 14.7402 14.7405 14.7625 14.7635 17.0787 17.0831 k = 0.5023 0.4260 0.4249 ( 2744 PWs) bands (ev): -45.9177 -45.9177 -22.6803 -22.6798 -22.0333 -22.0331 -22.0294 -22.0291 -14.1510 -14.1510 -5.6792 -5.6785 -5.6268 -5.6237 -5.6061 -5.6050 -1.4475 -1.4323 0.2307 0.2347 0.2721 0.2924 6.0688 6.0688 6.6829 6.6835 6.7241 6.7243 7.6003 7.6178 8.0040 8.0239 8.0944 8.0965 10.1724 10.1758 10.2092 10.2107 10.2688 10.2717 14.6247 14.6251 14.7572 14.7574 14.7758 14.7766 17.0587 17.0637 k = 0.5024 0.4349 0.4337 ( 2752 PWs) bands (ev): -45.9177 -45.9177 -22.6806 -22.6802 -22.0336 -22.0334 -22.0299 -22.0296 -14.1494 -14.1494 -5.6651 -5.6639 -5.6227 -5.6192 -5.6032 -5.6022 -1.4607 -1.4469 0.2186 0.2220 0.2506 0.2689 6.0526 6.0527 6.6748 6.6752 6.7074 6.7076 7.6115 7.6273 8.0258 8.0429 8.0979 8.1007 10.1982 10.2020 10.2272 10.2288 10.2773 10.2805 14.6379 14.6383 14.7725 14.7727 14.7878 14.7885 17.0389 17.0441 k = 0.5024 0.4438 0.4426 ( 2752 PWs) bands (ev): -45.9177 -45.9177 -22.6809 -22.6805 -22.0338 -22.0337 -22.0303 -22.0300 -14.1480 -14.1480 -5.6533 -5.6515 -5.6187 -5.6149 -5.6006 -5.5997 -1.4722 -1.4600 0.2080 0.2109 0.2319 0.2480 6.0381 6.0381 6.6682 6.6684 6.6928 6.6930 7.6209 7.6349 8.0461 8.0597 8.1013 8.1052 10.2207 10.2250 10.2436 10.2453 10.2848 10.2882 14.6494 14.6498 14.7861 14.7861 14.7984 14.7989 17.0201 17.0245 k = 0.5025 0.4527 0.4515 ( 2758 PWs) bands (ev): -45.9177 -45.9177 -22.6811 -22.6808 -22.0340 -22.0340 -22.0307 -22.0303 -14.1469 -14.1469 -5.6437 -5.6416 -5.6145 -5.6105 -5.5982 -5.5974 -1.4820 -1.4714 0.1990 0.2014 0.2162 0.2298 6.0253 6.0253 6.6627 6.6629 6.6803 6.6805 7.6287 7.6407 8.0638 8.0735 8.1049 8.1100 10.2396 10.2443 10.2584 10.2601 10.2913 10.2949 14.6591 14.6595 14.7977 14.7977 14.8077 14.8080 17.0029 17.0058 k = 0.5025 0.4616 0.4604 ( 2776 PWs) bands (ev): -45.9177 -45.9177 -22.6814 -22.6811 -22.0343 -22.0343 -22.0310 -22.0307 -14.1459 -14.1459 -5.6364 -5.6342 -5.6102 -5.6065 -5.5961 -5.5954 -1.4900 -1.4812 0.1916 0.1934 0.2033 0.2145 6.0145 6.0145 6.6584 6.6585 6.6700 6.6701 7.6351 7.6450 8.0782 8.0840 8.1090 8.1154 10.2549 10.2596 10.2715 10.2729 10.2969 10.3006 14.6672 14.6676 14.8071 14.8073 14.8155 14.8157 16.9880 16.9890 k = 0.5026 0.4705 0.4693 ( 2790 PWs) bands (ev): -45.9177 -45.9177 -22.6816 -22.6814 -22.0345 -22.0345 -22.0312 -22.0310 -14.1451 -14.1451 -5.6312 -5.6292 -5.6060 -5.6029 -5.5942 -5.5938 -1.4961 -1.4892 0.1858 0.1870 0.1935 0.2020 6.0059 6.0059 6.6551 6.6552 6.6619 6.6619 7.6403 7.6479 8.0886 8.0910 8.1139 8.1209 10.2667 10.2708 10.2825 10.2834 10.3017 10.3052 14.6736 14.6738 14.8145 14.8147 14.8219 14.8220 16.9756 16.9758 k = 0.5026 0.4795 0.4781 ( 2800 PWs) bands (ev): -45.9177 -45.9177 -22.6817 -22.6816 -22.0347 -22.0347 -22.0313 -22.0312 -14.1446 -14.1446 -5.6276 -5.6262 -5.6024 -5.6003 -5.5927 -5.5924 -1.5003 -1.4953 0.1817 0.1822 0.1868 0.1926 5.9995 5.9995 6.6527 6.6528 6.6560 6.6560 7.6442 7.6497 8.0948 8.0955 8.1193 8.1254 10.2751 10.2783 10.2908 10.2911 10.3058 10.3088 14.6782 14.6784 14.8197 14.8199 14.8267 14.8267 16.9660 16.9666 k = 0.5027 0.4884 0.4870 ( 2800 PWs) bands (ev): -45.9176 -45.9176 -22.6818 -22.6817 -22.0348 -22.0348 -22.0314 -22.0313 -14.1442 -14.1442 -5.6254 -5.6246 -5.6000 -5.5988 -5.5915 -5.5914 -1.5025 -1.4995 0.1791 0.1792 0.1830 0.1862 5.9956 5.9956 6.6511 6.6512 6.6524 6.6525 7.6471 7.6503 8.0979 8.0980 8.1240 8.1280 10.2804 10.2824 10.2959 10.2960 10.3090 10.3110 14.6811 14.6812 14.8230 14.8231 14.8298 14.8298 16.9602 16.9608 k = 0.5027 0.4973 0.4959 ( 2800 PWs) bands (ev): -45.9176 -45.9176 -22.6818 -22.6817 -22.0348 -22.0348 -22.0314 -22.0314 -14.1441 -14.1441 -5.6244 -5.6242 -5.5988 -5.5985 -5.5909 -5.5909 -1.5028 -1.5018 0.1781 0.1781 0.1820 0.1830 5.9940 5.9940 6.6502 6.6502 6.6513 6.6513 7.6489 7.6499 8.0991 8.0991 8.1268 8.1281 10.2829 10.2835 10.2978 10.2978 10.3109 10.3115 14.6823 14.6824 14.8243 14.8243 14.8310 14.8310 16.9583 16.9586 Writing output data file BaTiO3.save init_run : 5.01s CPU 12.41s WALL ( 1 calls) electrons : 670.25s CPU 677.61s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 1.04s CPU 2.05s WALL ( 1 calls) Called by electrons: c_bands : 670.20s CPU 677.24s WALL ( 1 calls) v_of_rho : 0.31s CPU 1.06s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.28s CPU 0.63s WALL ( 1 calls) newd : 0.52s CPU 0.60s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.14s WALL ( 328 calls) cegterg : 650.05s CPU 654.66s WALL ( 1153 calls) Called by sum_band: Called by *egterg: h_psi : 218.64s CPU 230.02s WALL ( 21543 calls) s_psi : 26.49s CPU 26.81s WALL ( 21543 calls) g_psi : 0.50s CPU 0.63s WALL ( 20062 calls) cdiaghg : 309.21s CPU 304.03s WALL ( 20390 calls) cegterg:over : 49.68s CPU 46.91s WALL ( 20062 calls) cegterg:upda : 6.72s CPU 10.80s WALL ( 20062 calls) cegterg:last : 6.82s CPU 7.80s WALL ( 2509 calls) Called by h_psi: h_psi:vloc : 168.06s CPU 177.84s WALL ( 21543 calls) h_psi:vnl : 50.33s CPU 51.53s WALL ( 21543 calls) add_vuspsi : 16.12s CPU 19.51s WALL ( 21543 calls) General routines calbec : 34.14s CPU 31.88s WALL ( 21543 calls) fft : 0.55s CPU 1.46s WALL ( 19 calls) ffts : 0.58s CPU 0.61s WALL ( 4 calls) fftw : 156.80s CPU 162.37s WALL ( 1398324 calls) interpolate : 0.59s CPU 0.63s WALL ( 4 calls) davcio : 0.02s CPU 0.62s WALL ( 656 calls) Parallel routines fft_scatter : 113.20s CPU 116.10s WALL ( 1398347 calls) PWSCF : 11m56.93s CPU 13m 7.65s WALL This run was terminated on: 15:22:52 11Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=