Program PWSCF v.5.1.1 starts on 11Oct2015 at 14:49:24 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 2102 447 76 Max 55 20 7 2108 470 80 Sum 2617 949 293 101001 21975 3731 bravais-lattice index = 14 lattice parameter (alat) = 7.5655 a.u. unit-cell volume = 433.0232 (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)= 7.565518 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 -0.0621594), 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 -0.2042379), 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 0.4191177), 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 0.2941177), 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 -0.4452120), 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 0.0621594), 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 0.0994550), 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 0.0801382), 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 0.2404145), 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: 101001 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 ( 2103) G-vector shells 0.01 Mb ( 1745) 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 45.6 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 49.0 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.3 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 55.6 secs Computing kpt #: 5 total cpu time spent up to now is 57.7 secs Computing kpt #: 6 total cpu time spent up to now is 59.1 secs Computing kpt #: 7 total cpu time spent up to now is 61.3 secs Computing kpt #: 8 total cpu time spent up to now is 63.1 secs Computing kpt #: 9 total cpu time spent up to now is 64.8 secs Computing kpt #: 10 total cpu time spent up to now is 67.1 secs Computing kpt #: 11 total cpu time spent up to now is 68.9 secs Computing kpt #: 12 total cpu time spent up to now is 70.1 secs Computing kpt #: 13 total cpu time spent up to now is 71.4 secs Computing kpt #: 14 total cpu time spent up to now is 73.0 secs Computing kpt #: 15 total cpu time spent up to now is 74.3 secs Computing kpt #: 16 total cpu time spent up to now is 75.5 secs Computing kpt #: 17 total cpu time spent up to now is 76.8 secs Computing kpt #: 18 total cpu time spent up to now is 78.3 secs Computing kpt #: 19 total cpu time spent up to now is 79.7 secs Computing kpt #: 20 total cpu time spent up to now is 80.9 secs Computing kpt #: 21 total cpu time spent up to now is 82.2 secs Computing kpt #: 22 total cpu time spent up to now is 83.4 secs Computing kpt #: 23 total cpu time spent up to now is 84.6 secs Computing kpt #: 24 total cpu time spent up to now is 85.8 secs Computing kpt #: 25 total cpu time spent up to now is 87.1 secs Computing kpt #: 26 total cpu time spent up to now is 88.3 secs Computing kpt #: 27 total cpu time spent up to now is 89.5 secs Computing kpt #: 28 total cpu time spent up to now is 90.9 secs Computing kpt #: 29 total cpu time spent up to now is 92.1 secs Computing kpt #: 30 total cpu time spent up to now is 93.3 secs Computing kpt #: 31 total cpu time spent up to now is 94.5 secs Computing kpt #: 32 total cpu time spent up to now is 95.7 secs Computing kpt #: 33 total cpu time spent up to now is 96.9 secs Computing kpt #: 34 total cpu time spent up to now is 98.0 secs Computing kpt #: 35 total cpu time spent up to now is 99.2 secs Computing kpt #: 36 total cpu time spent up to now is 100.3 secs Computing kpt #: 37 total cpu time spent up to now is 101.5 secs Computing kpt #: 38 total cpu time spent up to now is 102.7 secs Computing kpt #: 39 total cpu time spent up to now is 103.9 secs Computing kpt #: 40 total cpu time spent up to now is 105.0 secs Computing kpt #: 41 total cpu time spent up to now is 106.2 secs Computing kpt #: 42 total cpu time spent up to now is 107.4 secs Computing kpt #: 43 total cpu time spent up to now is 108.7 secs Computing kpt #: 44 total cpu time spent up to now is 110.0 secs Computing kpt #: 45 total cpu time spent up to now is 111.4 secs Computing kpt #: 46 total cpu time spent up to now is 112.8 secs Computing kpt #: 47 total cpu time spent up to now is 114.0 secs Computing kpt #: 48 total cpu time spent up to now is 115.3 secs Computing kpt #: 49 total cpu time spent up to now is 116.7 secs Computing kpt #: 50 total cpu time spent up to now is 117.9 secs Computing kpt #: 51 total cpu time spent up to now is 119.1 secs Computing kpt #: 52 total cpu time spent up to now is 120.6 secs Computing kpt #: 53 total cpu time spent up to now is 121.8 secs Computing kpt #: 54 total cpu time spent up to now is 123.0 secs Computing kpt #: 55 total cpu time spent up to now is 124.3 secs Computing kpt #: 56 total cpu time spent up to now is 125.4 secs Computing kpt #: 57 total cpu time spent up to now is 126.7 secs Computing kpt #: 58 total cpu time spent up to now is 127.9 secs Computing kpt #: 59 total cpu time spent up to now is 129.1 secs Computing kpt #: 60 total cpu time spent up to now is 130.3 secs Computing kpt #: 61 total cpu time spent up to now is 131.7 secs Computing kpt #: 62 total cpu time spent up to now is 132.9 secs Computing kpt #: 63 total cpu time spent up to now is 134.4 secs Computing kpt #: 64 total cpu time spent up to now is 135.6 secs Computing kpt #: 65 total cpu time spent up to now is 137.2 secs Computing kpt #: 66 total cpu time spent up to now is 138.5 secs Computing kpt #: 67 total cpu time spent up to now is 140.1 secs Computing kpt #: 68 total cpu time spent up to now is 141.5 secs Computing kpt #: 69 total cpu time spent up to now is 142.8 secs Computing kpt #: 70 total cpu time spent up to now is 144.5 secs Computing kpt #: 71 total cpu time spent up to now is 146.1 secs Computing kpt #: 72 total cpu time spent up to now is 147.5 secs Computing kpt #: 73 total cpu time spent up to now is 149.0 secs Computing kpt #: 74 total cpu time spent up to now is 150.7 secs Computing kpt #: 75 total cpu time spent up to now is 152.1 secs Computing kpt #: 76 total cpu time spent up to now is 153.9 secs Computing kpt #: 77 total cpu time spent up to now is 155.9 secs Computing kpt #: 78 total cpu time spent up to now is 158.1 secs Computing kpt #: 79 total cpu time spent up to now is 160.0 secs Computing kpt #: 80 total cpu time spent up to now is 162.0 secs Computing kpt #: 81 total cpu time spent up to now is 164.4 secs Computing kpt #: 82 total cpu time spent up to now is 166.9 secs Computing kpt #: 83 total cpu time spent up to now is 169.3 secs Computing kpt #: 84 total cpu time spent up to now is 171.5 secs Computing kpt #: 85 total cpu time spent up to now is 174.0 secs Computing kpt #: 86 total cpu time spent up to now is 176.3 secs Computing kpt #: 87 total cpu time spent up to now is 179.3 secs Computing kpt #: 88 total cpu time spent up to now is 183.1 secs Computing kpt #: 89 total cpu time spent up to now is 185.9 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 189.1 secs Computing kpt #: 91 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 192.3 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 212.4 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 219.7 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 246.0 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 249.2 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 252.4 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 261.1 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 267.7 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 270.9 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 280.0 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 287.0 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 290.1 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 293.2 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 296.3 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 299.4 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 302.5 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 305.7 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 311.7 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 314.8 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 317.9 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 323.9 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 327.1 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 330.2 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 333.3 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 336.5 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 339.6 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 342.8 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 353.4 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 367.5 secs Computing kpt #: 120 total cpu time spent up to now is 372.7 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 377.1 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 381.6 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 393.1 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 396.3 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 399.5 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 402.5 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 409.7 secs Computing kpt #: 128 total cpu time spent up to now is 416.0 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 419.3 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 422.4 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 425.7 secs Computing kpt #: 132 total cpu time spent up to now is 428.2 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 431.2 secs Computing kpt #: 134 total cpu time spent up to now is 433.4 secs Computing kpt #: 135 total cpu time spent up to now is 435.9 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 439.1 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 457.3 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 460.4 secs Computing kpt #: 139 total cpu time spent up to now is 466.2 secs Computing kpt #: 140 total cpu time spent up to now is 467.9 secs Computing kpt #: 141 total cpu time spent up to now is 469.6 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 480.5 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 484.9 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 498.9 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 513.5 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 519.3 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 523.7 secs Computing kpt #: 148 total cpu time spent up to now is 525.3 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 528.6 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 531.7 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 534.9 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 557.0 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 560.3 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 563.5 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 571.3 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 575.7 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 578.9 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 582.1 secs Computing kpt #: 159 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 605.7 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 608.9 secs Computing kpt #: 161 total cpu time spent up to now is 612.6 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 615.8 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 624.7 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 644.4 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 647.7 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 654.0 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 657.2 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 660.4 secs Computing kpt #: 169 total cpu time spent up to now is 667.1 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 672.8 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 701.3 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 704.5 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 707.8 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 711.6 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 714.9 secs Computing kpt #: 176 total cpu time spent up to now is 716.9 secs Computing kpt #: 177 total cpu time spent up to now is 719.0 secs Computing kpt #: 178 total cpu time spent up to now is 721.0 secs Computing kpt #: 179 total cpu time spent up to now is 734.7 secs Computing kpt #: 180 total cpu time spent up to now is 736.5 secs Computing kpt #: 181 total cpu time spent up to now is 738.3 secs Computing kpt #: 182 total cpu time spent up to now is 739.6 secs Computing kpt #: 183 total cpu time spent up to now is 741.4 secs Computing kpt #: 184 total cpu time spent up to now is 742.8 secs Computing kpt #: 185 total cpu time spent up to now is 744.1 secs Computing kpt #: 186 total cpu time spent up to now is 745.5 secs Computing kpt #: 187 total cpu time spent up to now is 754.3 secs Computing kpt #: 188 total cpu time spent up to now is 755.6 secs Computing kpt #: 189 total cpu time spent up to now is 756.9 secs Computing kpt #: 190 total cpu time spent up to now is 760.6 secs Computing kpt #: 191 total cpu time spent up to now is 761.8 secs Computing kpt #: 192 total cpu time spent up to now is 783.0 secs Computing kpt #: 193 total cpu time spent up to now is 799.2 secs Computing kpt #: 194 total cpu time spent up to now is 800.4 secs Computing kpt #: 195 total cpu time spent up to now is 801.7 secs Computing kpt #: 196 total cpu time spent up to now is 803.0 secs Computing kpt #: 197 total cpu time spent up to now is 804.3 secs Computing kpt #: 198 total cpu time spent up to now is 812.4 secs Computing kpt #: 199 total cpu time spent up to now is 816.5 secs Computing kpt #: 200 total cpu time spent up to now is 823.7 secs Computing kpt #: 201 total cpu time spent up to now is 825.0 secs Computing kpt #: 202 total cpu time spent up to now is 827.5 secs Computing kpt #: 203 total cpu time spent up to now is 828.7 secs Computing kpt #: 204 total cpu time spent up to now is 829.9 secs Computing kpt #: 205 total cpu time spent up to now is 831.0 secs Computing kpt #: 206 total cpu time spent up to now is 832.2 secs Computing kpt #: 207 total cpu time spent up to now is 833.6 secs Computing kpt #: 208 total cpu time spent up to now is 834.8 secs Computing kpt #: 209 total cpu time spent up to now is 836.0 secs Computing kpt #: 210 total cpu time spent up to now is 837.2 secs Computing kpt #: 211 total cpu time spent up to now is 838.4 secs Computing kpt #: 212 total cpu time spent up to now is 839.6 secs Computing kpt #: 213 total cpu time spent up to now is 840.9 secs Computing kpt #: 214 total cpu time spent up to now is 842.0 secs Computing kpt #: 215 total cpu time spent up to now is 843.2 secs Computing kpt #: 216 total cpu time spent up to now is 844.4 secs Computing kpt #: 217 total cpu time spent up to now is 845.7 secs Computing kpt #: 218 total cpu time spent up to now is 846.8 secs Computing kpt #: 219 total cpu time spent up to now is 856.3 secs Computing kpt #: 220 total cpu time spent up to now is 857.3 secs Computing kpt #: 221 total cpu time spent up to now is 858.3 secs Computing kpt #: 222 total cpu time spent up to now is 859.5 secs Computing kpt #: 223 total cpu time spent up to now is 860.6 secs Computing kpt #: 224 total cpu time spent up to now is 861.6 secs Computing kpt #: 225 total cpu time spent up to now is 865.9 secs Computing kpt #: 226 total cpu time spent up to now is 866.9 secs Computing kpt #: 227 total cpu time spent up to now is 867.8 secs Computing kpt #: 228 total cpu time spent up to now is 870.4 secs Computing kpt #: 229 total cpu time spent up to now is 889.2 secs Computing kpt #: 230 total cpu time spent up to now is 890.2 secs Computing kpt #: 231 total cpu time spent up to now is 891.2 secs Computing kpt #: 232 total cpu time spent up to now is 892.4 secs Computing kpt #: 233 total cpu time spent up to now is 893.4 secs Computing kpt #: 234 total cpu time spent up to now is 894.4 secs Computing kpt #: 235 total cpu time spent up to now is 895.6 secs Computing kpt #: 236 total cpu time spent up to now is 896.9 secs Computing kpt #: 237 total cpu time spent up to now is 898.0 secs Computing kpt #: 238 total cpu time spent up to now is 899.1 secs Computing kpt #: 239 total cpu time spent up to now is 900.4 secs Computing kpt #: 240 total cpu time spent up to now is 901.9 secs Computing kpt #: 241 total cpu time spent up to now is 910.6 secs Computing kpt #: 242 total cpu time spent up to now is 912.0 secs Computing kpt #: 243 total cpu time spent up to now is 925.5 secs Computing kpt #: 244 total cpu time spent up to now is 927.1 secs Computing kpt #: 245 total cpu time spent up to now is 931.3 secs Computing kpt #: 246 total cpu time spent up to now is 932.7 secs Computing kpt #: 247 total cpu time spent up to now is 947.6 secs Computing kpt #: 248 total cpu time spent up to now is 949.1 secs Computing kpt #: 249 total cpu time spent up to now is 950.8 secs Computing kpt #: 250 total cpu time spent up to now is 952.5 secs Computing kpt #: 251 total cpu time spent up to now is 954.4 secs Computing kpt #: 252 total cpu time spent up to now is 956.1 secs Computing kpt #: 253 total cpu time spent up to now is 958.0 secs Computing kpt #: 254 total cpu time spent up to now is 959.8 secs Computing kpt #: 255 total cpu time spent up to now is 961.8 secs Computing kpt #: 256 total cpu time spent up to now is 966.6 secs Computing kpt #: 257 total cpu time spent up to now is 968.6 secs Computing kpt #: 258 total cpu time spent up to now is 970.6 secs Computing kpt #: 259 total cpu time spent up to now is 972.9 secs Computing kpt #: 260 total cpu time spent up to now is 1006.1 secs Computing kpt #: 261 total cpu time spent up to now is 1008.7 secs Computing kpt #: 262 total cpu time spent up to now is 1011.6 secs Computing kpt #: 263 total cpu time spent up to now is 1030.4 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1033.6 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1038.0 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1041.2 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1044.3 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1078.6 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1084.2 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1107.7 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1112.3 secs Computing kpt #: 272 total cpu time spent up to now is 1113.4 secs Computing kpt #: 273 total cpu time spent up to now is 1114.6 secs Computing kpt #: 274 total cpu time spent up to now is 1115.9 secs Computing kpt #: 275 total cpu time spent up to now is 1117.2 secs Computing kpt #: 276 total cpu time spent up to now is 1121.7 secs Computing kpt #: 277 total cpu time spent up to now is 1123.1 secs Computing kpt #: 278 total cpu time spent up to now is 1148.1 secs Computing kpt #: 279 total cpu time spent up to now is 1149.3 secs Computing kpt #: 280 total cpu time spent up to now is 1150.5 secs Computing kpt #: 281 total cpu time spent up to now is 1153.8 secs Computing kpt #: 282 total cpu time spent up to now is 1155.1 secs Computing kpt #: 283 total cpu time spent up to now is 1156.3 secs Computing kpt #: 284 total cpu time spent up to now is 1180.9 secs Computing kpt #: 285 total cpu time spent up to now is 1182.1 secs Computing kpt #: 286 total cpu time spent up to now is 1183.3 secs Computing kpt #: 287 total cpu time spent up to now is 1184.5 secs Computing kpt #: 288 total cpu time spent up to now is 1185.9 secs Computing kpt #: 289 total cpu time spent up to now is 1187.1 secs Computing kpt #: 290 total cpu time spent up to now is 1189.1 secs Computing kpt #: 291 total cpu time spent up to now is 1190.3 secs Computing kpt #: 292 total cpu time spent up to now is 1191.7 secs Computing kpt #: 293 total cpu time spent up to now is 1192.9 secs Computing kpt #: 294 total cpu time spent up to now is 1194.4 secs Computing kpt #: 295 total cpu time spent up to now is 1195.7 secs Computing kpt #: 296 total cpu time spent up to now is 1196.9 secs Computing kpt #: 297 total cpu time spent up to now is 1198.1 secs Computing kpt #: 298 total cpu time spent up to now is 1199.6 secs Computing kpt #: 299 total cpu time spent up to now is 1200.9 secs Computing kpt #: 300 total cpu time spent up to now is 1223.7 secs Computing kpt #: 301 total cpu time spent up to now is 1225.0 secs Computing kpt #: 302 total cpu time spent up to now is 1229.2 secs Computing kpt #: 303 total cpu time spent up to now is 1230.5 secs Computing kpt #: 304 total cpu time spent up to now is 1247.4 secs Computing kpt #: 305 total cpu time spent up to now is 1248.8 secs Computing kpt #: 306 total cpu time spent up to now is 1254.9 secs Computing kpt #: 307 total cpu time spent up to now is 1256.9 secs Computing kpt #: 308 total cpu time spent up to now is 1269.6 secs Computing kpt #: 309 total cpu time spent up to now is 1271.3 secs Computing kpt #: 310 total cpu time spent up to now is 1273.2 secs Computing kpt #: 311 total cpu time spent up to now is 1276.1 secs Computing kpt #: 312 total cpu time spent up to now is 1286.4 secs Computing kpt #: 313 total cpu time spent up to now is 1288.4 secs Computing kpt #: 314 total cpu time spent up to now is 1293.2 secs Computing kpt #: 315 total cpu time spent up to now is 1295.8 secs Computing kpt #: 316 total cpu time spent up to now is 1304.4 secs Computing kpt #: 317 total cpu time spent up to now is 1324.8 secs Computing kpt #: 318 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1328.0 secs Computing kpt #: 319 total cpu time spent up to now is 1331.0 secs Computing kpt #: 320 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1334.2 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1337.3 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1353.2 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1382.5 secs Computing kpt #: 324 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1385.9 secs Computing kpt #: 325 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1389.0 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1392.2 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1395.4 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1398.5 secs ethr = 2.50E-11, avg # of iterations = 62.1 total cpu time spent up to now is 1398.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9090 -45.9090 -22.6280 -22.6280 -21.9753 -21.9753 -21.9719 -21.9719 -14.4028 -14.4028 -6.4911 -6.4911 -5.8286 -5.8286 -5.8258 -5.8258 -0.9421 -0.9421 0.9723 0.9723 0.9740 0.9740 7.9883 7.9883 8.2046 8.2046 8.2049 8.2049 8.9871 8.9871 8.9965 8.9965 9.2368 9.2368 9.7624 9.7624 9.9137 9.9137 9.9707 9.9707 12.7352 12.7352 12.7467 12.7467 12.8870 12.8870 14.8680 14.8695 k = 0.0125-0.0000-0.0000 ( 2777 PWs) bands (ev): -45.9090 -45.9090 -22.6280 -22.6280 -21.9753 -21.9753 -21.9720 -21.9719 -14.4026 -14.4026 -6.4912 -6.4910 -5.8287 -5.8284 -5.8257 -5.8257 -0.9419 -0.9416 0.9727 0.9727 0.9741 0.9748 7.9853 7.9891 8.2002 8.2025 8.2049 8.2062 8.9851 8.9853 8.9935 8.9955 9.2352 9.2366 9.7471 9.7723 9.9004 9.9240 9.9709 9.9713 12.7360 12.7366 12.7471 12.7493 12.8870 12.8888 14.8687 14.8693 k = 0.0250-0.0001-0.0001 ( 2771 PWs) bands (ev): -45.9090 -45.9090 -22.6281 -22.6280 -21.9754 -21.9754 -21.9721 -21.9719 -14.4021 -14.4021 -6.4914 -6.4909 -5.8288 -5.8281 -5.8256 -5.8256 -0.9410 -0.9404 0.9736 0.9737 0.9751 0.9766 7.9802 7.9878 8.1916 8.1975 8.2039 8.2054 8.9791 8.9795 8.9869 8.9906 9.2317 9.2343 9.7275 9.7754 9.8864 9.9294 9.9710 9.9734 12.7368 12.7399 12.7529 12.7553 12.8890 12.8924 14.8684 14.8688 k = 0.0375-0.0001-0.0001 ( 2766 PWs) bands (ev): -45.9090 -45.9090 -22.6282 -22.6280 -21.9755 -21.9755 -21.9722 -21.9720 -14.4012 -14.4012 -6.4917 -6.4910 -5.8288 -5.8277 -5.8253 -5.8253 -0.9394 -0.9385 0.9750 0.9753 0.9771 0.9795 7.9726 7.9842 8.1792 8.1890 8.2018 8.2032 8.9693 8.9698 8.9767 8.9820 9.2264 9.2301 9.7044 9.7700 9.8740 9.9297 9.9703 9.9768 12.7370 12.7435 12.7648 12.7662 12.8932 12.8979 14.8682 14.8689 k = 0.0500-0.0001-0.0001 ( 2766 PWs) bands (ev): -45.9089 -45.9089 -22.6284 -22.6282 -21.9757 -21.9757 -21.9723 -21.9721 -14.4000 -14.3999 -6.4921 -6.4912 -5.8286 -5.8273 -5.8249 -5.8249 -0.9371 -0.9360 0.9770 0.9773 0.9803 0.9834 7.9623 7.9779 8.1633 8.1771 8.1987 8.2000 8.9556 8.9563 8.9637 8.9701 9.2191 9.2238 9.6784 9.7557 9.8642 9.9261 9.9684 9.9795 12.7374 12.7467 12.7820 12.7826 12.8996 12.9054 14.8679 14.8688 k = 0.0625-0.0002-0.0002 ( 2764 PWs) bands (ev): -45.9089 -45.9089 -22.6287 -22.6283 -21.9761 -21.9760 -21.9725 -21.9722 -14.3984 -14.3984 -6.4928 -6.4916 -5.8283 -5.8267 -5.8244 -5.8243 -0.9342 -0.9327 0.9795 0.9798 0.9845 0.9883 7.9487 7.9683 8.1447 8.1624 8.1945 8.1959 8.9383 8.9392 8.9481 8.9550 9.2099 9.2154 9.6500 9.7336 9.8563 9.9198 9.9649 9.9803 12.7386 12.7500 12.8041 12.8041 12.9085 12.9151 14.8677 14.8687 k = 0.0750-0.0002-0.0002 ( 2767 PWs) bands (ev): -45.9089 -45.9089 -22.6290 -22.6286 -21.9766 -21.9764 -21.9726 -21.9723 -14.3965 -14.3964 -6.4937 -6.4922 -5.8278 -5.8260 -5.8237 -5.8235 -0.9306 -0.9289 0.9825 0.9828 0.9897 0.9941 7.9312 7.9545 8.1242 8.1457 8.1894 8.1908 8.9177 8.9188 8.9301 8.9370 9.1987 9.2048 9.6194 9.7057 9.8488 9.9115 9.9595 9.9780 12.7408 12.7536 12.8304 12.8306 12.9203 12.9272 14.8673 14.8686 k = 0.0875-0.0002-0.0002 ( 2760 PWs) bands (ev): -45.9089 -45.9089 -22.6292 -22.6288 -21.9771 -21.9769 -21.9727 -21.9724 -14.3942 -14.3942 -6.4949 -6.4932 -5.8270 -5.8252 -5.8227 -5.8222 -0.9264 -0.9245 0.9860 0.9862 0.9959 1.0009 7.9092 7.9354 8.1034 8.1277 8.1832 8.1846 8.8943 8.8956 8.9101 8.9165 9.1856 9.1921 9.5872 9.6735 9.8407 9.9017 9.9519 9.9724 12.7441 12.7578 12.8611 12.8612 12.9351 12.9423 14.8670 14.8685 k = 0.1000-0.0003-0.0003 ( 2750 PWs) bands (ev): -45.9089 -45.9089 -22.6296 -22.6291 -21.9777 -21.9774 -21.9728 -21.9725 -14.3917 -14.3916 -6.4965 -6.4947 -5.8260 -5.8243 -5.8215 -5.8205 -0.9216 -0.9194 0.9900 0.9902 1.0030 1.0086 7.8821 7.9100 8.0834 8.1094 8.1758 8.1774 8.8687 8.8699 8.8881 8.8938 9.1705 9.1773 9.5534 9.6381 9.8313 9.8905 9.9422 9.9633 12.7485 12.7625 12.8955 12.8958 12.9534 12.9607 14.8666 14.8683 k = 0.1125-0.0003-0.0003 ( 2752 PWs) bands (ev): -45.9088 -45.9088 -22.6300 -22.6294 -21.9786 -21.9782 -21.9728 -21.9726 -14.3888 -14.3888 -6.4987 -6.4966 -5.8247 -5.8234 -5.8198 -5.8182 -0.9163 -0.9139 0.9944 0.9947 1.0109 1.0172 7.8495 7.8777 8.0650 8.0913 8.1673 8.1689 8.8413 8.8421 8.8647 8.8692 9.1536 9.1605 9.5182 9.6001 9.8205 9.8780 9.9302 9.9509 12.7538 12.7677 12.9328 12.9341 12.9754 12.9832 14.8662 14.8681 k = 0.1250-0.0003-0.0003 ( 2752 PWs) bands (ev): -45.9088 -45.9088 -22.6304 -22.6298 -21.9795 -21.9790 -21.9728 -21.9726 -14.3857 -14.3856 -6.5014 -6.4992 -5.8234 -5.8224 -5.8173 -5.8151 -0.9105 -0.9078 0.9993 0.9995 1.0197 1.0265 7.8115 7.8387 8.0484 8.0738 8.1575 8.1593 8.8124 8.8126 8.8400 8.8432 9.1350 9.1418 9.4819 9.5599 9.8081 9.8644 9.9161 9.9354 12.7599 12.7733 12.9721 12.9755 13.0016 13.0107 14.8657 14.8679 k = 0.1375-0.0004-0.0004 ( 2752 PWs) bands (ev): -45.9088 -45.9088 -22.6309 -22.6302 -21.9805 -21.9800 -21.9728 -21.9726 -14.3823 -14.3822 -6.5048 -6.5024 -5.8221 -5.8214 -5.8140 -5.8113 -0.9043 -0.9013 1.0046 1.0048 1.0292 1.0366 7.7682 7.7937 8.0333 8.0570 8.1464 8.1483 8.7818 8.7825 8.8144 8.8160 9.1149 9.1216 9.4445 9.5177 9.7943 9.8497 9.9002 9.9172 12.7665 12.7792 13.0117 13.0185 13.0331 13.0447 14.8652 14.8676 k = 0.1500-0.0004-0.0004 ( 2753 PWs) bands (ev): -45.9087 -45.9087 -22.6314 -22.6307 -21.9816 -21.9810 -21.9728 -21.9726 -14.3787 -14.3786 -6.5090 -6.5065 -5.8208 -5.8203 -5.8097 -5.8065 -0.8976 -0.8944 1.0103 1.0105 1.0394 1.0473 7.7202 7.7436 8.0191 8.0406 8.1339 8.1359 8.7501 8.7518 8.7881 8.7883 9.0934 9.0998 9.4063 9.4739 9.7792 9.8341 9.8828 9.8967 12.7734 12.7852 13.0505 13.0589 13.0739 13.0860 14.8647 14.8673 k = 0.1625-0.0004-0.0004 ( 2751 PWs) bands (ev): -45.9087 -45.9087 -22.6319 -22.6312 -21.9828 -21.9821 -21.9728 -21.9726 -14.3749 -14.3747 -6.5139 -6.5113 -5.8195 -5.8191 -5.8043 -5.8008 -0.8905 -0.8871 1.0163 1.0166 1.0503 1.0587 7.6681 7.6892 8.0053 8.0246 8.1200 8.1222 8.7179 8.7207 8.7597 8.7619 9.0707 9.0769 9.3672 9.4286 9.7629 9.8175 9.8641 9.8743 12.7805 12.7914 13.0897 13.0976 13.1225 13.1331 14.8641 14.8669 k = 0.1750-0.0005-0.0005 ( 2753 PWs) bands (ev): -45.9087 -45.9087 -22.6324 -22.6317 -21.9840 -21.9833 -21.9727 -21.9726 -14.3708 -14.3707 -6.5197 -6.5169 -5.8182 -5.8179 -5.7979 -5.7942 -0.8831 -0.8795 1.0226 1.0229 1.0618 1.0707 7.6124 7.6314 7.9916 8.0087 8.1047 8.1070 8.6853 8.6895 8.7312 8.7355 9.0472 9.0529 9.3276 9.3823 9.7454 9.8000 9.8445 9.8506 12.7877 12.7976 13.1309 13.1386 13.1743 13.1839 14.8635 14.8665 k = 0.1875-0.0005-0.0005 ( 2755 PWs) bands (ev): -45.9086 -45.9086 -22.6330 -22.6322 -21.9853 -21.9845 -21.9727 -21.9725 -14.3666 -14.3665 -6.5263 -6.5235 -5.8169 -5.8167 -5.7905 -5.7866 -0.8754 -0.8717 1.0293 1.0296 1.0739 1.0831 7.5538 7.5708 7.9776 7.9926 8.0879 8.0904 8.6527 8.6584 8.7029 8.7093 9.0229 9.0282 9.2875 9.3353 9.7270 9.7815 9.8243 9.8261 12.7948 12.8039 13.1745 13.1824 13.2282 13.2372 14.8628 14.8660 k = 0.2000-0.0005-0.0005 ( 2750 PWs) bands (ev): -45.9086 -45.9086 -22.6336 -22.6328 -21.9866 -21.9858 -21.9726 -21.9725 -14.3622 -14.3621 -6.5337 -6.5308 -5.8156 -5.8154 -5.7820 -5.7779 -0.8675 -0.8636 1.0362 1.0365 1.0864 1.0960 7.4929 7.5081 7.9632 7.9763 8.0698 8.0724 8.6203 8.6277 8.6749 8.6835 8.9983 9.0030 9.2472 9.2877 9.7078 9.7619 9.8016 9.8037 12.8018 12.8101 13.2206 13.2288 13.2835 13.2921 14.8621 14.8655 k = 0.2125-0.0006-0.0006 ( 2744 PWs) bands (ev): -45.9086 -45.9086 -22.6342 -22.6333 -21.9879 -21.9871 -21.9725 -21.9724 -14.3577 -14.3576 -6.5419 -6.5390 -5.8142 -5.8141 -5.7725 -5.7683 -0.8594 -0.8554 1.0433 1.0436 1.0992 1.1092 7.4302 7.4438 7.9482 7.9595 8.0503 8.0530 8.5884 8.5976 8.6475 8.6583 8.9734 8.9775 9.2070 9.2401 9.6880 9.7409 9.7776 9.7830 12.8087 12.8163 13.2690 13.2775 13.3399 13.3484 14.8613 14.8649 k = 0.2250-0.0006-0.0006 ( 2743 PWs) bands (ev): -45.9085 -45.9085 -22.6348 -22.6339 -21.9893 -21.9884 -21.9724 -21.9723 -14.3531 -14.3530 -6.5508 -6.5479 -5.8129 -5.8127 -5.7620 -5.7578 -0.8512 -0.8470 1.0506 1.0509 1.1124 1.1226 7.3663 7.3785 7.9326 7.9423 8.0295 8.0323 8.5572 8.5681 8.6206 8.6336 8.9486 8.9519 9.1671 9.1929 9.6677 9.7185 9.7547 9.7623 12.8155 12.8224 13.3194 13.3281 13.3971 13.4054 14.8605 14.8643 k = 0.2375-0.0007-0.0006 ( 2745 PWs) bands (ev): -45.9085 -45.9085 -22.6354 -22.6346 -21.9907 -21.9898 -21.9723 -21.9722 -14.3485 -14.3483 -6.5604 -6.5575 -5.8115 -5.8114 -5.7507 -5.7464 -0.8430 -0.8387 1.0580 1.0583 1.1258 1.1362 7.3016 7.3126 7.9164 7.9246 8.0077 8.0105 8.5268 8.5394 8.5945 8.6095 8.9240 8.9266 9.1276 9.1463 9.6470 9.6948 9.7333 9.7420 12.8222 12.8285 13.3712 13.3801 13.4546 13.4628 14.8596 14.8635 k = 0.2500-0.0007-0.0007 ( 2747 PWs) bands (ev): -45.9084 -45.9084 -22.6361 -22.6352 -21.9921 -21.9912 -21.9723 -21.9722 -14.3438 -14.3436 -6.5706 -6.5677 -5.8101 -5.8100 -5.7386 -5.7344 -0.8346 -0.8303 1.0655 1.0658 1.1394 1.1499 7.2367 7.2466 7.8996 7.9064 7.9849 7.9878 8.4973 8.5117 8.5690 8.5860 8.8999 8.9016 9.0891 9.1010 9.6262 9.6703 9.7131 9.7220 12.8288 12.8345 13.4241 13.4332 13.5121 13.5203 14.8586 14.8627 k = 0.2625-0.0007-0.0007 ( 2743 PWs) bands (ev): -45.9084 -45.9084 -22.6367 -22.6358 -21.9934 -21.9925 -21.9722 -21.9721 -14.3391 -14.3389 -6.5812 -6.5784 -5.8087 -5.8087 -5.7259 -5.7216 -0.8264 -0.8220 1.0730 1.0733 1.1530 1.1636 7.1720 7.1810 7.8823 7.8879 7.9615 7.9643 8.4690 8.4849 8.5442 8.5630 8.8765 8.8771 9.0516 9.0572 9.6054 9.6454 9.6939 9.7025 12.8352 12.8405 13.4777 13.4868 13.5693 13.5775 14.8575 14.8618 k = 0.2750-0.0008-0.0008 ( 2745 PWs) bands (ev): -45.9084 -45.9084 -22.6373 -22.6365 -21.9948 -21.9939 -21.9721 -21.9720 -14.3344 -14.3342 -6.5922 -6.5895 -5.8074 -5.8073 -5.7126 -5.7084 -0.8182 -0.8137 1.0805 1.0808 1.1666 1.1772 7.1080 7.1160 7.8645 7.8690 7.9375 7.9403 8.4418 8.4592 8.5200 8.5403 8.8533 8.8538 9.0154 9.0155 9.5847 9.6206 9.6756 9.6836 12.8415 12.8463 13.5315 13.5406 13.6260 13.6341 14.8563 14.8607 k = 0.2875-0.0008-0.0008 ( 2749 PWs) bands (ev): -45.9083 -45.9083 -22.6380 -22.6371 -21.9962 -21.9953 -21.9721 -21.9720 -14.3297 -14.3296 -6.6034 -6.6008 -5.8060 -5.8060 -5.6989 -5.6948 -0.8101 -0.8057 1.0880 1.0882 1.1801 1.1907 7.0449 7.0522 7.8465 7.8499 7.9133 7.9160 8.4159 8.4346 8.4963 8.5180 8.8303 8.8321 8.9760 8.9811 9.5644 9.5962 9.6581 9.6653 12.8477 12.8521 13.5851 13.5942 13.6817 13.6898 14.8550 14.8596 k = 0.3000-0.0008-0.0008 ( 2749 PWs) bands (ev): -45.9083 -45.9083 -22.6386 -22.6377 -21.9975 -21.9966 -21.9720 -21.9719 -14.3252 -14.3250 -6.6148 -6.6123 -5.8047 -5.8047 -5.6850 -5.6810 -0.8022 -0.7978 1.0953 1.0956 1.1934 1.2039 6.9833 6.9900 7.8283 7.8307 7.8890 7.8917 8.3912 8.4110 8.4732 8.4958 8.8082 8.8114 8.9393 8.9485 9.5445 9.5726 9.6414 9.6478 12.8537 12.8577 13.6381 13.6471 13.7362 13.7442 14.8536 14.8584 k = 0.3125-0.0009-0.0009 ( 2751 PWs) bands (ev): -45.9082 -45.9082 -22.6392 -22.6384 -21.9988 -21.9979 -21.9719 -21.9719 -14.3207 -14.3206 -6.6261 -6.6237 -5.8034 -5.8034 -5.6709 -5.6671 -0.7945 -0.7902 1.1025 1.1028 1.2065 1.2168 6.9235 6.9296 7.8101 7.8117 7.8651 7.8675 8.3679 8.3886 8.4507 8.4737 8.7870 8.7918 8.9058 8.9181 9.5252 9.5498 9.6254 9.6310 12.8595 12.8631 13.6902 13.6989 13.7893 13.7972 14.8522 14.8570 k = 0.3250-0.0009-0.0009 ( 2754 PWs) bands (ev): -45.9082 -45.9082 -22.6397 -22.6390 -22.0000 -21.9992 -21.9718 -21.9718 -14.3164 -14.3163 -6.6374 -6.6351 -5.8022 -5.8022 -5.6569 -5.6533 -0.7870 -0.7828 1.1095 1.1098 1.2192 1.2292 6.8659 6.8714 7.7920 7.7928 7.8415 7.8438 8.3458 8.3673 8.4288 8.4517 8.7668 8.7733 8.8755 8.8899 9.5066 9.5280 9.6102 9.6151 12.8650 12.8684 13.7409 13.7493 13.8406 13.8484 14.8506 14.8555 k = 0.3375-0.0009-0.0009 ( 2754 PWs) bands (ev): -45.9082 -45.9082 -22.6403 -22.6396 -22.0012 -22.0004 -21.9718 -21.9717 -14.3122 -14.3121 -6.6484 -6.6463 -5.8010 -5.8010 -5.6431 -5.6397 -0.7799 -0.7758 1.1163 1.1166 1.2315 1.2412 6.8108 6.8158 7.7743 7.7745 7.8187 7.8207 8.3252 8.3471 8.4075 8.4297 8.7476 8.7558 8.8486 8.8641 9.4888 9.5074 9.5958 9.6001 12.8704 12.8734 13.7898 13.7980 13.8899 13.8976 14.8490 14.8539 k = 0.3500-0.0010-0.0010 ( 2756 PWs) bands (ev): -45.9081 -45.9081 -22.6408 -22.6401 -22.0023 -22.0015 -21.9717 -21.9717 -14.3082 -14.3081 -6.6591 -6.6571 -5.7999 -5.7998 -5.6296 -5.6264 -0.7731 -0.7692 1.1228 1.1230 1.2433 1.2526 6.7585 6.7630 7.7567 7.7570 7.7968 7.7985 8.3059 8.3281 8.3869 8.4080 8.7295 8.7394 8.8251 8.8408 9.4720 9.4880 9.5822 9.5860 12.8755 12.8783 13.8367 13.8445 13.9368 13.9444 14.8472 14.8521 k = 0.3625-0.0010-0.0010 ( 2756 PWs) bands (ev): -45.9081 -45.9081 -22.6413 -22.6407 -22.0033 -22.0026 -21.9716 -21.9716 -14.3045 -14.3044 -6.6693 -6.6675 -5.7988 -5.7988 -5.6166 -5.6136 -0.7667 -0.7630 1.1289 1.1292 1.2545 1.2633 6.7092 6.7133 7.7397 7.7404 7.7759 7.7774 8.2881 8.3103 8.3672 8.3867 8.7127 8.7240 8.8048 8.8200 9.4562 9.4699 9.5696 9.5729 12.8803 12.8828 13.8813 13.8886 13.9813 13.9886 14.8454 14.8503 k = 0.3750-0.0010-0.0010 ( 2762 PWs) bands (ev): -45.9081 -45.9081 -22.6418 -22.6412 -22.0043 -22.0037 -21.9716 -21.9715 -14.3009 -14.3008 -6.6790 -6.6773 -5.7978 -5.7978 -5.6042 -5.6014 -0.7607 -0.7572 1.1347 1.1349 1.2650 1.2733 6.6634 6.6671 7.7236 7.7246 7.7564 7.7576 8.2717 8.2937 8.3485 8.3660 8.6972 8.7096 8.7875 8.8016 9.4414 9.4531 9.5579 9.5608 12.8848 12.8871 13.9231 13.9300 14.0230 14.0300 14.8436 14.8483 k = 0.3875-0.0011-0.0011 ( 2763 PWs) bands (ev): -45.9081 -45.9081 -22.6422 -22.6417 -22.0052 -22.0046 -21.9715 -21.9715 -14.2977 -14.2976 -6.6880 -6.6865 -5.7969 -5.7968 -5.5926 -5.5900 -0.7551 -0.7519 1.1401 1.1403 1.2748 1.2825 6.6211 6.6244 7.7086 7.7097 7.7382 7.7392 8.2568 8.2783 8.3310 8.3461 8.6833 8.6963 8.7729 8.7856 9.4279 9.4378 9.5473 9.5498 12.8890 12.8910 13.9619 13.9683 14.0616 14.0683 14.8417 14.8463 k = 0.4000-0.0011-0.0011 ( 2757 PWs) bands (ev): -45.9080 -45.9080 -22.6426 -22.6421 -22.0060 -22.0054 -21.9715 -21.9714 -14.2947 -14.2946 -6.6963 -6.6949 -5.7960 -5.7960 -5.5818 -5.5795 -0.7500 -0.7471 1.1450 1.1452 1.2839 1.2908 6.5828 6.5857 7.6948 7.6960 7.7217 7.7223 8.2434 8.2641 8.3149 8.3275 8.6710 8.6840 8.7607 8.7719 9.4156 9.4239 9.5377 9.5398 12.8928 12.8946 13.9975 14.0033 14.0971 14.1033 14.8399 14.8443 k = 0.4125-0.0011-0.0011 ( 2758 PWs) bands (ev): -45.9080 -45.9080 -22.6429 -22.6425 -22.0067 -22.0062 -21.9714 -21.9714 -14.2920 -14.2919 -6.7038 -6.7026 -5.7952 -5.7952 -5.5720 -5.5700 -0.7455 -0.7428 1.1494 1.1496 1.2920 1.2983 6.5484 6.5510 7.6823 7.6835 7.7068 7.7072 8.2317 8.2512 8.3002 8.3104 8.6603 8.6728 8.7505 8.7603 9.4046 9.4115 9.5291 9.5309 12.8963 12.8978 14.0296 14.0348 14.1290 14.1348 14.8381 14.8422 k = 0.4250-0.0012-0.0012 ( 2756 PWs) bands (ev): -45.9080 -45.9080 -22.6432 -22.6428 -22.0073 -22.0069 -21.9714 -21.9714 -14.2896 -14.2896 -6.7104 -6.7094 -5.7946 -5.7946 -5.5633 -5.5615 -0.7414 -0.7391 1.1533 1.1534 1.2993 1.3048 6.5183 6.5205 7.6713 7.6724 7.6937 7.6939 8.2217 8.2396 8.2872 8.2951 8.6512 8.6628 8.7423 8.7505 9.3951 9.4006 9.5217 9.5232 12.8993 12.9006 14.0579 14.0625 14.1573 14.1625 14.8364 14.8401 k = 0.4375-0.0012-0.0012 ( 2756 PWs) bands (ev): -45.9080 -45.9080 -22.6434 -22.6431 -22.0078 -22.0075 -21.9713 -21.9713 -14.2876 -14.2876 -6.7161 -6.7153 -5.7940 -5.7940 -5.5557 -5.5542 -0.7379 -0.7359 1.1566 1.1568 1.3056 1.3103 6.4926 6.4944 7.6619 7.6628 7.6825 7.6825 8.2134 8.2293 8.2759 8.2818 8.6438 8.6541 8.7357 8.7425 9.3869 9.3914 9.5153 9.5166 12.9019 12.9030 14.0824 14.0862 14.1818 14.1863 14.8349 14.8382 k = 0.4500-0.0012-0.0012 ( 2756 PWs) bands (ev): -45.9080 -45.9080 -22.6436 -22.6434 -22.0083 -22.0080 -21.9713 -21.9713 -14.2859 -14.2859 -6.7208 -6.7201 -5.7935 -5.7935 -5.5494 -5.5482 -0.7350 -0.7334 1.1594 1.1595 1.3110 1.3147 6.4714 6.4728 7.6540 7.6547 7.6731 7.6732 8.2069 8.2203 8.2666 8.2707 8.6380 8.6466 8.7307 8.7360 9.3803 9.3837 9.5101 9.5111 12.9041 12.9050 14.1026 14.1058 14.2022 14.2059 14.8337 14.8364 k = 0.4625-0.0013-0.0013 ( 2752 PWs) bands (ev): -45.9079 -45.9079 -22.6438 -22.6436 -22.0086 -22.0083 -21.9713 -21.9713 -14.2846 -14.2846 -6.7245 -6.7240 -5.7932 -5.7931 -5.5443 -5.5434 -0.7326 -0.7314 1.1616 1.1617 1.3153 1.3181 6.4548 6.4559 7.6478 7.6484 7.6657 7.6659 8.2023 8.2128 8.2593 8.2619 8.6339 8.6405 8.7270 8.7309 9.3751 9.3776 9.5061 9.5068 12.9059 12.9065 14.1187 14.1210 14.2183 14.2212 14.8327 14.8348 k = 0.4750-0.0013-0.0013 ( 2752 PWs) bands (ev): -45.9079 -45.9079 -22.6439 -22.6437 -22.0088 -22.0086 -21.9713 -21.9713 -14.2837 -14.2836 -6.7272 -6.7268 -5.7929 -5.7929 -5.5407 -5.5400 -0.7309 -0.7301 1.1632 1.1632 1.3185 1.3204 6.4430 6.4437 7.6434 7.6437 7.6605 7.6607 8.1995 8.2067 8.2540 8.2556 8.6312 8.6358 8.7246 8.7272 9.3715 9.3731 9.5033 9.5037 12.9072 12.9076 14.1303 14.1319 14.2301 14.2321 14.8321 14.8335 k = 0.4875-0.0013-0.0013 ( 2754 PWs) bands (ev): -45.9079 -45.9079 -22.6439 -22.6439 -22.0089 -22.0088 -21.9713 -21.9713 -14.2831 -14.2831 -6.7287 -6.7285 -5.7927 -5.7927 -5.5384 -5.5381 -0.7297 -0.7293 1.1641 1.1642 1.3206 1.3216 6.4359 6.4363 7.6407 7.6409 7.6574 7.6575 8.1986 8.2023 8.2510 8.2517 8.6302 8.6324 8.7235 8.7248 9.3695 9.3703 9.5016 9.5018 12.9080 12.9082 14.1375 14.1383 14.2375 14.2385 14.8319 14.8326 k = 0.5000-0.0014-0.0014 ( 2750 PWs) bands (ev): -45.9079 -45.9079 -22.6439 -22.6439 -22.0089 -22.0089 -21.9713 -21.9713 -14.2829 -14.2829 -6.7292 -6.7292 -5.7927 -5.7927 -5.5375 -5.5375 -0.7292 -0.7292 1.1645 1.1645 1.3217 1.3217 6.4337 6.4337 7.6399 7.6399 7.6564 7.6564 8.1995 8.1995 8.2502 8.2502 8.6306 8.6306 8.7235 8.7235 9.3691 9.3691 9.5011 9.5011 12.9083 12.9083 14.1402 14.1402 14.2403 14.2403 14.8320 14.8320 k = 0.5000-0.0014-0.0014 ( 2750 PWs) bands (ev): -45.9079 -45.9079 -22.6439 -22.6439 -22.0089 -22.0089 -21.9713 -21.9713 -14.2829 -14.2829 -6.7292 -6.7292 -5.7927 -5.7927 -5.5375 -5.5375 -0.7292 -0.7292 1.1645 1.1645 1.3217 1.3217 6.4337 6.4337 7.6399 7.6399 7.6564 7.6564 8.1995 8.1995 8.2502 8.2502 8.6306 8.6306 8.7235 8.7235 9.3691 9.3691 9.5011 9.5011 12.9083 12.9083 14.1402 14.1402 14.2403 14.2403 14.8320 14.8320 k = 0.5000 0.0075-0.0103 ( 2752 PWs) bands (ev): -45.9079 -45.9079 -22.6440 -22.6439 -22.0090 -22.0089 -21.9714 -21.9712 -14.2828 -14.2828 -6.7285 -6.7283 -5.7927 -5.7923 -5.5380 -5.5378 -0.7307 -0.7281 1.1621 1.1667 1.3202 1.3218 6.4331 6.4337 7.6345 7.6414 7.6545 7.6610 8.1833 8.2009 8.2343 8.2559 8.6230 8.6530 8.7122 8.7455 9.3531 9.3678 9.4987 9.5143 12.9081 12.9104 14.1393 14.1406 14.2398 14.2409 14.8352 14.8363 k = 0.5000 0.0164-0.0192 ( 2752 PWs) bands (ev): -45.9079 -45.9079 -22.6441 -22.6439 -22.0090 -22.0089 -21.9715 -21.9713 -14.2824 -14.2824 -6.7264 -6.7259 -5.7925 -5.7917 -5.5392 -5.5388 -0.7325 -0.7273 1.1596 1.1687 1.3175 1.3206 6.4320 6.4332 7.6276 7.6371 7.6573 7.6661 8.1541 8.1824 8.2151 8.2521 8.6307 8.6858 8.7137 8.7763 9.3258 9.3491 9.5073 9.5322 12.9097 12.9143 14.1380 14.1405 14.2395 14.2417 14.8459 14.8480 k = 0.5000 0.0253-0.0281 ( 2750 PWs) bands (ev): -45.9079 -45.9079 -22.6442 -22.6440 -22.0091 -22.0089 -21.9718 -21.9714 -14.2819 -14.2819 -6.7227 -6.7220 -5.7920 -5.7908 -5.5412 -5.5405 -0.7346 -0.7269 1.1569 1.1705 1.3135 1.3181 6.4304 6.4322 7.6195 7.6299 7.6617 7.6709 8.1143 8.1434 8.1985 8.2412 8.6507 8.7142 8.7378 8.8134 9.2920 9.3191 9.5209 9.5503 12.9133 12.9201 14.1365 14.1400 14.2394 14.2425 14.8638 14.8669 k = 0.5000 0.0341-0.0370 ( 2750 PWs) bands (ev): -45.9079 -45.9079 -22.6444 -22.6440 -22.0093 -22.0089 -21.9722 -21.9716 -14.2811 -14.2810 -6.7175 -6.7165 -5.7913 -5.7897 -5.5438 -5.5429 -0.7371 -0.7269 1.1538 1.1720 1.3084 1.3145 6.4283 6.4306 7.6102 7.6213 7.6662 7.6753 8.0666 8.0934 8.1810 8.2256 8.6794 8.7359 8.7820 8.8547 9.2540 9.2827 9.5346 9.5663 12.9191 12.9281 14.1349 14.1392 14.2395 14.2434 14.8887 14.8927 k = 0.5000 0.0430-0.0459 ( 2746 PWs) bands (ev): -45.9079 -45.9079 -22.6446 -22.6442 -22.0094 -22.0090 -21.9726 -21.9719 -14.2800 -14.2800 -6.7108 -6.7096 -5.7903 -5.7883 -5.5471 -5.5460 -0.7401 -0.7273 1.1504 1.1729 1.3022 1.3099 6.4257 6.4285 7.5994 7.6113 7.6705 7.6793 8.0136 8.0379 8.1620 8.2070 8.7140 8.7625 8.8306 8.8985 9.2132 9.2426 9.5463 9.5792 12.9274 12.9383 14.1333 14.1383 14.2398 14.2443 14.9202 14.9251 k = 0.5000 0.0519-0.0548 ( 2746 PWs) bands (ev): -45.9079 -45.9079 -22.6449 -22.6444 -22.0096 -22.0091 -21.9731 -21.9723 -14.2788 -14.2788 -6.7026 -6.7012 -5.7890 -5.7866 -5.5511 -5.5498 -0.7434 -0.7282 1.1463 1.1731 1.2952 1.3042 6.4226 6.4261 7.5867 7.5997 7.6743 7.6827 7.9571 7.9799 8.1423 8.1871 8.7526 8.7942 8.8798 8.9431 9.1708 9.2005 9.5550 9.5883 12.9383 12.9510 14.1320 14.1374 14.2404 14.2452 14.9579 14.9636 k = 0.5000 0.0608-0.0637 ( 2746 PWs) bands (ev): -45.9078 -45.9078 -22.6452 -22.6446 -22.0097 -22.0092 -21.9736 -21.9727 -14.2773 -14.2773 -6.6930 -6.6913 -5.7874 -5.7847 -5.5556 -5.5541 -0.7473 -0.7297 1.1415 1.1722 1.2876 1.2979 6.4192 6.4231 7.5715 7.5859 7.6774 7.6855 7.8992 7.9216 8.1226 8.1667 8.7937 8.8298 8.9279 8.9865 9.1280 9.1584 9.5601 9.5936 12.9521 12.9665 14.1310 14.1367 14.2413 14.2463 15.0014 15.0079 k = 0.5000 0.0697-0.0726 ( 2750 PWs) bands (ev): -45.9078 -45.9078 -22.6455 -22.6449 -22.0100 -22.0093 -21.9743 -21.9733 -14.2756 -14.2756 -6.6819 -6.6799 -5.7856 -5.7825 -5.5607 -5.5590 -0.7518 -0.7318 1.1357 1.1699 1.2799 1.2909 6.4155 6.4199 7.5531 7.5693 7.6798 7.6874 7.8418 7.8649 8.1033 8.1467 8.8361 8.8678 8.9717 9.0237 9.0885 9.1217 9.5615 9.5949 12.9691 12.9850 14.1306 14.1364 14.2425 14.2477 15.0502 15.0573 k = 0.5000 0.0785-0.0815 ( 2750 PWs) bands (ev): -45.9078 -45.9078 -22.6459 -22.6452 -22.0102 -22.0095 -21.9750 -21.9739 -14.2737 -14.2737 -6.6694 -6.6672 -5.7835 -5.7801 -5.5663 -5.5644 -0.7568 -0.7346 1.1286 1.1655 1.2723 1.2835 6.4115 6.4163 7.5305 7.5485 7.6812 7.6883 7.7872 7.8113 8.0850 8.1274 8.8779 8.9053 8.9974 9.0312 9.0703 9.1134 9.5593 9.5923 12.9895 13.0066 14.1307 14.1365 14.2441 14.2493 15.1039 15.1116 k = 0.5000 0.0874-0.0904 ( 2748 PWs) bands (ev): -45.9078 -45.9078 -22.6463 -22.6455 -22.0104 -22.0097 -21.9758 -21.9745 -14.2716 -14.2716 -6.6554 -6.6530 -5.7812 -5.7774 -5.5722 -5.5702 -0.7626 -0.7381 1.1201 1.1587 1.2652 1.2759 6.4073 6.4125 7.5027 7.5220 7.6814 7.6878 7.7377 7.7627 8.0678 8.1093 8.9119 8.9283 8.9941 9.0091 9.0946 9.1434 9.5537 9.5861 13.0133 13.0315 14.1316 14.1372 14.2463 14.2514 15.1619 15.1701 k = 0.5000 0.0963-0.0993 ( 2742 PWs) bands (ev): -45.9077 -45.9077 -22.6468 -22.6458 -22.0107 -22.0098 -21.9767 -21.9753 -14.2694 -14.2693 -6.6401 -6.6375 -5.7787 -5.7745 -5.5786 -5.5763 -0.7691 -0.7425 1.1098 1.1492 1.2588 1.2683 6.4029 6.4085 7.4691 7.4884 7.6801 7.6844 7.6967 7.7201 8.0518 8.0924 8.9049 8.9143 9.0113 9.0188 9.1347 9.1829 9.5450 9.5765 13.0405 13.0597 14.1331 14.1387 14.2490 14.2541 15.2239 15.2325 k = 0.5000 0.1052-0.1082 ( 2742 PWs) bands (ev): -45.9077 -45.9077 -22.6472 -22.6462 -22.0109 -22.0100 -21.9776 -21.9761 -14.2669 -14.2669 -6.6235 -6.6207 -5.7759 -5.7714 -5.5852 -5.5828 -0.7764 -0.7477 1.0977 1.1369 1.2530 1.2610 6.3985 6.4044 7.4298 7.4476 7.6589 7.6773 7.6805 7.6873 8.0372 8.0770 8.8640 8.8789 9.0470 9.0610 9.1769 9.2236 9.5336 9.5640 13.0713 13.0913 14.1355 14.1408 14.2524 14.2574 15.2894 15.2984 k = 0.5000 0.1141-0.1171 ( 2742 PWs) bands (ev): -45.9077 -45.9077 -22.6477 -22.6467 -22.0112 -22.0103 -21.9786 -21.9770 -14.2642 -14.2642 -6.6055 -6.6025 -5.7728 -5.7681 -5.5920 -5.5895 -0.7845 -0.7539 1.0837 1.1218 1.2471 1.2542 6.3940 6.4001 7.3860 7.4013 7.6312 7.6519 7.6728 7.6794 8.0239 8.0629 8.8188 8.8344 9.0923 9.1073 9.2186 9.2636 9.5202 9.5493 13.1056 13.1261 14.1388 14.1438 14.2566 14.2614 15.3581 15.3674 k = 0.5000 0.1229-0.1260 ( 2740 PWs) bands (ev): -45.9076 -45.9076 -22.6483 -22.6472 -22.0115 -22.0105 -21.9796 -21.9779 -14.2614 -14.2614 -6.5863 -6.5831 -5.7696 -5.7645 -5.5990 -5.5963 -0.7936 -0.7610 1.0677 1.1043 1.2403 1.2482 6.3896 6.3959 7.3395 7.3518 7.6080 7.6256 7.6662 7.6721 8.0118 8.0501 8.7728 8.7877 9.1401 9.1552 9.2593 9.3026 9.5055 9.5329 13.1431 13.1640 14.1429 14.1477 14.2616 14.2662 15.4295 15.4390 k = 0.5000 0.1318-0.1349 ( 2744 PWs) bands (ev): -45.9076 -45.9076 -22.6489 -22.6477 -22.0119 -22.0108 -21.9807 -21.9789 -14.2585 -14.2584 -6.5659 -6.5625 -5.7662 -5.7608 -5.6060 -5.6032 -0.8036 -0.7692 1.0498 1.0847 1.2325 1.2427 6.3853 6.3916 7.2920 7.3014 7.5875 7.6020 7.6575 7.6629 8.0007 8.0385 8.7270 8.7407 9.1889 9.2039 9.2986 9.3399 9.4903 9.5156 13.1837 13.2049 14.1481 14.1526 14.2675 14.2719 15.5033 15.5130 k = 0.5000 0.1407-0.1438 ( 2744 PWs) bands (ev): -45.9075 -45.9075 -22.6495 -22.6482 -22.0122 -22.0111 -21.9819 -21.9800 -14.2553 -14.2553 -6.5443 -6.5407 -5.7625 -5.7569 -5.6131 -5.6101 -0.8145 -0.7785 1.0301 1.0632 1.2236 1.2370 6.3812 6.3874 7.2450 7.2518 7.5687 7.5802 7.6466 7.6516 7.9905 8.0278 8.6819 8.6940 9.2380 9.2528 9.3363 9.3749 9.4763 9.4985 13.2272 13.2486 14.1542 14.1584 14.2743 14.2786 15.5793 15.5891 k = 0.5000 0.1496-0.1527 ( 2744 PWs) bands (ev): -45.9075 -45.9075 -22.6501 -22.6488 -22.0125 -22.0114 -21.9831 -21.9811 -14.2521 -14.2521 -6.5216 -6.5178 -5.7587 -5.7528 -5.6200 -5.6169 -0.8265 -0.7889 1.0089 1.0402 1.2138 1.2304 6.3772 6.3832 7.1998 7.2042 7.5503 7.5595 7.6335 7.6382 7.9808 8.0180 8.6377 8.6481 9.2869 9.3018 9.3721 9.4048 9.4664 9.4833 13.2733 13.2947 14.1614 14.1653 14.2820 14.2862 15.6570 15.6668 k = 0.5000 0.1585-0.1616 ( 2750 PWs) bands (ev): -45.9075 -45.9075 -22.6508 -22.6494 -22.0129 -22.0117 -21.9843 -21.9823 -14.2487 -14.2487 -6.4978 -6.4939 -5.7547 -5.7485 -5.6268 -5.6237 -0.8394 -0.8003 0.9861 1.0157 1.2027 1.2227 6.3734 6.3791 7.1571 7.1595 7.5318 7.5391 7.6181 7.6227 7.9716 8.0088 8.5945 8.6031 9.3352 9.3503 9.4034 9.4216 9.4639 9.4789 13.3218 13.3431 14.1696 14.1733 14.2908 14.2948 15.7361 15.7460 k = 0.5000 0.1673-0.1705 ( 2750 PWs) bands (ev): -45.9074 -45.9074 -22.6515 -22.6500 -22.0133 -22.0120 -21.9856 -21.9835 -14.2452 -14.2452 -6.4730 -6.4689 -5.7505 -5.7441 -5.6334 -5.6302 -0.8534 -0.8129 0.9620 0.9901 1.1903 1.2133 6.3697 6.3751 7.1172 7.1190 7.5124 7.5188 7.6006 7.6053 7.9628 8.0002 8.5525 8.5591 9.3824 9.3975 9.4148 9.4316 9.4661 9.5005 13.3722 13.3934 14.1790 14.1824 14.3005 14.3045 15.8165 15.8263 k = 0.5000 0.1762-0.1795 ( 2748 PWs) bands (ev): -45.9074 -45.9074 -22.6521 -22.6507 -22.0137 -22.0124 -21.9869 -21.9847 -14.2416 -14.2416 -6.4472 -6.4430 -5.7462 -5.7396 -5.6397 -5.6364 -0.8684 -0.8266 0.9367 0.9635 1.1762 1.2022 6.3663 6.3711 7.0803 7.0835 7.4914 7.4984 7.5811 7.5863 7.9541 7.9920 8.5114 8.5161 9.4077 9.4233 9.4359 9.4471 9.4898 9.5305 13.4244 13.4453 14.1895 14.1927 14.3112 14.3151 15.8977 15.9075 k = 0.5000 0.1851-0.1884 ( 2748 PWs) bands (ev): -45.9073 -45.9073 -22.6528 -22.6513 -22.0140 -22.0127 -21.9883 -21.9860 -14.2379 -14.2379 -6.4205 -6.4162 -5.7417 -5.7349 -5.6456 -5.6423 -0.8843 -0.8414 0.9104 0.9360 1.1603 1.1890 6.3629 6.3671 7.0474 7.0527 7.4686 7.4771 7.5600 7.5657 7.9457 7.9842 8.4714 8.4742 9.4041 9.4225 9.4768 9.4911 9.5221 9.5624 13.4779 13.4986 14.2011 14.2041 14.3229 14.3267 15.9795 15.9893 k = 0.5000 0.1940-0.1973 ( 2746 PWs) bands (ev): -45.9073 -45.9073 -22.6535 -22.6520 -22.0144 -22.0130 -21.9896 -21.9873 -14.2341 -14.2341 -6.3930 -6.3885 -5.7372 -5.7302 -5.6512 -5.6478 -0.9013 -0.8572 0.8832 0.9077 1.1425 1.1737 6.3596 6.3631 7.0192 7.0268 7.4439 7.4545 7.5376 7.5441 7.9375 7.9768 8.4322 8.4335 9.4028 9.4198 9.5200 9.5321 9.5581 9.5952 13.5326 13.5529 14.2139 14.2167 14.3356 14.3393 16.0617 16.0713 k = 0.5000 0.2029-0.2062 ( 2746 PWs) bands (ev): -45.9072 -45.9072 -22.6543 -22.6527 -22.0148 -22.0134 -21.9910 -21.9886 -14.2303 -14.2303 -6.3647 -6.3602 -5.7325 -5.7253 -5.6562 -5.6528 -0.9191 -0.8741 0.8552 0.8787 1.1226 1.1560 6.3562 6.3590 6.9957 7.0059 7.4172 7.4300 7.5140 7.5216 7.9295 7.9697 8.3933 8.3946 9.4051 9.4204 9.5610 9.5680 9.5981 9.6288 13.5880 13.6079 14.2278 14.2305 14.3491 14.3528 16.1439 16.1534 k = 0.5000 0.2117-0.2151 ( 2750 PWs) bands (ev): -45.9071 -45.9071 -22.6550 -22.6534 -22.0152 -22.0138 -21.9924 -21.9900 -14.2264 -14.2264 -6.3357 -6.3311 -5.7278 -5.7204 -5.6608 -5.6574 -0.9378 -0.8919 0.8267 0.8493 1.1005 1.1360 6.3526 6.3547 6.9772 6.9901 7.3886 7.4035 7.4897 7.4987 7.9218 7.9631 8.3549 8.3577 9.4114 9.4251 9.5982 9.6014 9.6402 9.6633 13.6439 13.6633 14.2429 14.2454 14.3636 14.3672 16.2257 16.2351 k = 0.5000 0.2206-0.2240 ( 2746 PWs) bands (ev): -45.9071 -45.9071 -22.6558 -22.6541 -22.0156 -22.0142 -21.9938 -21.9914 -14.2224 -14.2224 -6.3062 -6.3015 -5.7230 -5.7155 -5.6647 -5.6614 -0.9574 -0.9107 0.7976 0.8194 1.0762 1.1135 6.3486 6.3503 6.9636 6.9793 7.3581 7.3751 7.4647 7.4754 7.9143 7.9568 8.3180 8.3221 9.4218 9.4340 9.6294 9.6360 9.6824 9.6990 13.7000 13.7189 14.2592 14.2614 14.3789 14.3824 16.3070 16.3163 k = 0.5000 0.2295-0.2329 ( 2746 PWs) bands (ev): -45.9070 -45.9070 -22.6565 -22.6549 -22.0160 -22.0145 -21.9953 -21.9928 -14.2185 -14.2184 -6.2760 -6.2713 -5.7182 -5.7106 -5.6680 -5.6649 -0.9777 -0.9303 0.7682 0.7893 1.0496 1.0887 6.3441 6.3457 6.9546 6.9734 7.3263 7.3453 7.4389 7.4517 7.9070 7.9507 8.2828 8.2883 9.4364 9.4471 9.6585 9.6688 9.7240 9.7355 13.7560 13.7744 14.2765 14.2786 14.3949 14.3984 16.3873 16.3965 k = 0.5000 0.2384-0.2418 ( 2744 PWs) bands (ev): -45.9070 -45.9070 -22.6573 -22.6556 -22.0164 -22.0149 -21.9967 -21.9942 -14.2145 -14.2145 -6.2455 -6.2407 -5.7134 -5.7057 -5.6706 -5.6676 -0.9988 -0.9508 0.7385 0.7589 1.0210 1.0614 6.3390 6.3408 6.9498 6.9719 7.2938 7.3147 7.4123 7.4276 7.8999 7.9450 8.2497 8.2564 9.4549 9.4643 9.6867 9.6995 9.7644 9.7723 13.8117 13.8295 14.2949 14.2968 14.4117 14.4152 16.4663 16.4754 k = 0.5000 0.2473-0.2507 ( 2736 PWs) bands (ev): -45.9069 -45.9069 -22.6580 -22.6563 -22.0167 -22.0153 -21.9981 -21.9955 -14.2105 -14.2105 -6.2145 -6.2097 -5.7087 -5.7009 -5.6725 -5.6698 -1.0205 -0.9721 0.7087 0.7285 0.9902 1.0319 6.3332 6.3355 6.9485 6.9741 7.2614 7.2844 7.3847 7.4029 7.8929 7.9393 8.2193 8.2270 9.4771 9.4854 9.7142 9.7286 9.8035 9.8089 13.8668 13.8841 14.3142 14.3160 14.4292 14.4326 16.5435 16.5525 k = 0.5000 0.2561-0.2596 ( 2736 PWs) bands (ev): -45.9069 -45.9069 -22.6588 -22.6571 -22.0171 -22.0157 -21.9995 -21.9970 -14.2065 -14.2065 -6.1833 -6.1784 -5.7042 -5.6963 -5.6734 -5.6711 -1.0428 -0.9940 0.6789 0.6981 0.9575 1.0002 6.3269 6.3296 6.9497 6.9786 7.2306 7.2558 7.3559 7.3776 7.8860 7.9337 8.1917 8.2004 9.5026 9.5099 9.7413 9.7566 9.8412 9.8447 13.9212 13.9378 14.3345 14.3361 14.4472 14.4506 16.6183 16.6274 k = 0.5000 0.2650-0.2685 ( 2738 PWs) bands (ev): -45.9068 -45.9068 -22.6595 -22.6579 -22.0175 -22.0161 -22.0009 -21.9984 -14.2026 -14.2025 -6.1519 -6.1470 -5.6999 -5.6919 -5.6735 -5.6715 -1.0655 -1.0165 0.6491 0.6678 0.9229 0.9666 6.3200 6.3230 6.9516 6.9835 7.2030 7.2306 7.3259 7.3519 7.8793 7.9281 8.1674 8.1768 9.5313 9.5375 9.7679 9.7836 9.8774 9.8796 13.9745 13.9905 14.3557 14.3572 14.4657 14.4691 16.6903 16.6996 k = 0.5000 0.2739-0.2774 ( 2742 PWs) bands (ev): -45.9068 -45.9068 -22.6603 -22.6586 -22.0179 -22.0165 -22.0023 -21.9998 -14.1986 -14.1986 -6.1204 -6.1155 -5.6959 -5.6880 -5.6728 -5.6709 -1.0887 -1.0396 0.6195 0.6376 0.8868 0.9311 6.3123 6.3155 6.9521 6.9854 7.1810 7.2115 7.2945 7.3265 7.8728 7.9225 8.1466 8.1565 9.5626 9.5680 9.7942 9.8100 9.9119 9.9133 14.0267 14.0420 14.3777 14.3790 14.4847 14.4880 16.7588 16.7684 k = 0.5000 0.2828-0.2863 ( 2746 PWs) bands (ev): -45.9067 -45.9067 -22.6611 -22.6594 -22.0183 -22.0169 -22.0037 -22.0012 -14.1948 -14.1947 -6.0888 -6.0840 -5.6923 -5.6845 -5.6712 -5.6690 -1.1122 -1.0631 0.5903 0.6078 0.8493 0.8941 6.3039 6.3073 6.9487 6.9810 7.1660 7.2015 7.2618 7.3029 7.8666 7.9170 8.1293 8.1395 9.5963 9.6009 9.8202 9.8358 9.9447 9.9458 14.0776 14.0922 14.4004 14.4016 14.5040 14.5072 16.8230 16.8332 k = 0.5000 0.2917-0.2952 ( 2744 PWs) bands (ev): -45.9066 -45.9066 -22.6618 -22.6602 -22.0187 -22.0173 -22.0051 -22.0026 -14.1909 -14.1909 -6.0574 -6.0527 -5.6891 -5.6815 -5.6689 -5.6659 -1.1360 -1.0870 0.5614 0.5784 0.8106 0.8558 6.2947 6.2981 6.9396 6.9683 7.1559 7.2028 7.2281 7.2840 7.8608 7.9119 8.1155 8.1257 9.6319 9.6358 9.8461 9.8613 9.9758 9.9771 14.1269 14.1407 14.4238 14.4248 14.5236 14.5267 16.8821 16.8931 k = 0.5000 0.3005-0.3041 ( 2738 PWs) bands (ev): -45.9066 -45.9066 -22.6625 -22.6609 -22.0190 -22.0177 -22.0064 -22.0039 -14.1872 -14.1872 -6.0262 -6.0215 -5.6860 -5.6788 -5.6658 -5.6622 -1.1599 -1.1112 0.5330 0.5495 0.7711 0.8163 6.2847 6.2880 6.9247 6.9485 7.1448 7.1926 7.2164 7.2750 7.8559 7.9073 8.1049 8.1149 9.6691 9.6724 9.8717 9.8866 10.0052 10.0069 14.1745 14.1876 14.4477 14.4485 14.5433 14.5464 16.9351 16.9473 k = 0.5000 0.3094-0.3130 ( 2742 PWs) bands (ev): -45.9065 -45.9065 -22.6632 -22.6616 -22.0194 -22.0181 -22.0077 -22.0052 -14.1835 -14.1835 -5.9953 -5.9907 -5.6830 -5.6760 -5.6620 -5.6580 -1.1838 -1.1356 0.5052 0.5211 0.7309 0.7761 6.2736 6.2768 6.9053 6.9244 7.1271 7.1571 7.2376 7.2800 7.8519 7.9036 8.0971 8.1069 9.7077 9.7103 9.8973 9.9116 10.0330 10.0352 14.2203 14.2326 14.4720 14.4727 14.5631 14.5661 16.9810 16.9948 k = 0.5000 0.3183-0.3219 ( 2740 PWs) bands (ev): -45.9065 -45.9065 -22.6639 -22.6624 -22.0198 -22.0185 -22.0089 -22.0065 -14.1799 -14.1799 -5.9648 -5.9603 -5.6798 -5.6731 -5.6579 -5.6537 -1.2077 -1.1600 0.4780 0.4934 0.6904 0.7354 6.2616 6.2646 6.8831 6.8985 7.1023 7.1210 7.2641 7.2980 7.8492 7.9012 8.0918 8.1013 9.7471 9.7492 9.9227 9.9364 10.0593 10.0618 14.2642 14.2756 14.4967 14.4973 14.5830 14.5859 17.0188 17.0347 k = 0.5000 0.3272-0.3308 ( 2740 PWs) bands (ev): -45.9064 -45.9064 -22.6646 -22.6631 -22.0201 -22.0189 -22.0101 -22.0078 -14.1765 -14.1764 -5.9348 -5.9305 -5.6764 -5.6700 -5.6535 -5.6493 -1.2314 -1.1845 0.4516 0.4665 0.6499 0.6944 6.2485 6.2513 6.8598 6.8722 7.0727 7.0846 7.2938 7.3251 7.8480 7.9003 8.0886 8.0977 9.7871 9.7888 9.9481 9.9612 10.0840 10.0869 14.3060 14.3166 14.5217 14.5220 14.6027 14.6055 17.0479 17.0663 k = 0.5000 0.3361-0.3397 ( 2744 PWs) bands (ev): -45.9064 -45.9064 -22.6652 -22.6638 -22.0205 -22.0193 -22.0113 -22.0090 -14.1731 -14.1731 -5.9055 -5.9013 -5.6728 -5.6666 -5.6491 -5.6448 -1.2548 -1.2088 0.4261 0.4403 0.6096 0.6534 6.2344 6.2370 6.8366 6.8467 7.0406 7.0482 7.3253 7.3575 7.8487 7.9014 8.0870 8.0959 9.8275 9.8286 9.9734 9.9858 10.1072 10.1105 14.3457 14.3554 14.5468 14.5469 14.6222 14.6249 17.0678 17.0891 k = 0.5000 0.3449-0.3486 ( 2744 PWs) bands (ev): -45.9063 -45.9063 -22.6659 -22.6644 -22.0208 -22.0196 -22.0124 -22.0102 -14.1699 -14.1698 -5.8768 -5.8729 -5.6688 -5.6629 -5.6446 -5.6404 -1.2779 -1.2329 0.4014 0.4151 0.5698 0.6128 6.2193 6.2217 6.8142 6.8226 7.0074 7.0123 7.3579 7.3923 7.8514 7.9045 8.0868 8.0956 9.8678 9.8685 9.9986 10.0103 10.1289 10.1325 14.3831 14.3919 14.5717 14.5718 14.6414 14.6440 17.0789 17.1031 k = 0.5000 0.3538-0.3575 ( 2734 PWs) bands (ev): -45.9063 -45.9063 -22.6664 -22.6650 -22.0210 -22.0200 -22.0134 -22.0113 -14.1667 -14.1667 -5.8491 -5.8454 -5.6646 -5.6590 -5.6401 -5.6361 -1.3004 -1.2567 0.3778 0.3908 0.5308 0.5727 6.2033 6.2054 6.7932 6.8001 6.9740 6.9770 7.3907 7.4278 7.8564 7.9098 8.0877 8.0963 9.9077 9.9082 10.0236 10.0347 10.1492 10.1530 14.4183 14.4262 14.5964 14.5967 14.6602 14.6627 17.0817 17.1089 k = 0.5000 0.3627-0.3664 ( 2744 PWs) bands (ev): -45.9062 -45.9062 -22.6670 -22.6657 -22.0214 -22.0204 -22.0145 -22.0124 -14.1638 -14.1638 -5.8223 -5.8189 -5.6603 -5.6549 -5.6357 -5.6319 -1.3223 -1.2801 0.3552 0.3676 0.4929 0.5335 6.1865 6.1884 6.7737 6.7796 6.9408 6.9428 7.4228 7.4624 7.8641 7.9174 8.0893 8.0980 9.9468 9.9473 10.0485 10.0589 10.1679 10.1721 14.4512 14.4582 14.6207 14.6213 14.6786 14.6810 17.0777 17.1076 k = 0.5000 0.3716-0.3753 ( 2746 PWs) bands (ev): -45.9062 -45.9062 -22.6676 -22.6663 -22.0217 -22.0207 -22.0154 -22.0135 -14.1609 -14.1609 -5.7965 -5.7935 -5.6558 -5.6506 -5.6314 -5.6278 -1.3435 -1.3029 0.3337 0.3455 0.4563 0.4954 6.1692 6.1708 6.7560 6.7610 6.9084 6.9098 7.4536 7.4952 7.8746 7.9274 8.0917 8.1005 9.9850 9.9858 10.0730 10.0829 10.1853 10.1898 14.4818 14.4879 14.6446 14.6453 14.6964 14.6986 17.0682 17.1005 k = 0.5000 0.3805-0.3842 ( 2744 PWs) bands (ev): -45.9062 -45.9062 -22.6680 -22.6669 -22.0219 -22.0211 -22.0162 -22.0144 -14.1583 -14.1583 -5.7720 -5.7693 -5.6511 -5.6462 -5.6272 -5.6239 -1.3638 -1.3250 0.3135 0.3245 0.4213 0.4587 6.1515 6.1528 6.7401 6.7444 6.8771 6.8783 7.4825 7.5252 7.8880 7.9395 8.0945 8.1034 10.0219 10.0230 10.0972 10.1066 10.2012 10.2062 14.5100 14.5153 14.6678 14.6686 14.7135 14.7157 17.0550 17.0892 k = 0.5000 0.3893-0.3932 ( 2748 PWs) bands (ev): -45.9061 -45.9061 -22.6685 -22.6674 -22.0222 -22.0215 -22.0171 -22.0154 -14.1558 -14.1558 -5.7487 -5.7465 -5.6465 -5.6418 -5.6231 -5.6201 -1.3832 -1.3463 0.2945 0.3048 0.3880 0.4235 6.1337 6.1348 6.7260 6.7297 6.8471 6.8484 7.5091 7.5518 7.9043 7.9536 8.0976 8.1068 10.0573 10.0589 10.1209 10.1298 10.2158 10.2212 14.5360 14.5405 14.6901 14.6911 14.7299 14.7319 17.0396 17.0751 k = 0.5000 0.3982-0.4021 ( 2752 PWs) bands (ev): -45.9061 -45.9061 -22.6690 -22.6680 -22.0225 -22.0218 -22.0178 -22.0162 -14.1534 -14.1534 -5.7269 -5.7252 -5.6419 -5.6374 -5.6191 -5.6165 -1.4014 -1.3668 0.2768 0.2864 0.3567 0.3901 6.1160 6.1169 6.7136 6.7168 6.8189 6.8203 7.5331 7.5747 7.9231 7.9692 8.1009 8.1103 10.0910 10.0930 10.1440 10.1524 10.2292 10.2349 14.5598 14.5636 14.7113 14.7124 14.7454 14.7474 17.0232 17.0596 k = 0.5000 0.4071-0.4110 ( 2748 PWs) bands (ev): -45.9061 -45.9061 -22.6694 -22.6684 -22.0227 -22.0222 -22.0184 -22.0170 -14.1513 -14.1513 -5.7066 -5.7055 -5.6373 -5.6330 -5.6153 -5.6130 -1.4184 -1.3861 0.2605 0.2693 0.3275 0.3588 6.0988 6.0995 6.7028 6.7056 6.7926 6.7941 7.5545 7.5940 7.9440 7.9860 8.1043 8.1141 10.1227 10.1251 10.1662 10.1744 10.2412 10.2475 14.5814 14.5845 14.7313 14.7325 14.7601 14.7619 17.0071 17.0438 k = 0.5000 0.4160-0.4199 ( 2752 PWs) bands (ev): -45.9060 -45.9060 -22.6698 -22.6689 -22.0230 -22.0225 -22.0190 -22.0177 -14.1493 -14.1493 -5.6882 -5.6875 -5.6329 -5.6285 -5.6117 -5.6097 -1.4341 -1.4044 0.2456 0.2535 0.3007 0.3295 6.0823 6.0828 6.6935 6.6959 6.7684 6.7699 7.5732 7.6098 7.9662 8.0034 8.1076 8.1178 10.1521 10.1550 10.1875 10.1954 10.2520 10.2588 14.6009 14.6034 14.7499 14.7511 14.7738 14.7754 16.9922 17.0286 k = 0.5000 0.4249-0.4288 ( 2748 PWs) bands (ev): -45.9060 -45.9060 -22.6701 -22.6693 -22.0232 -22.0229 -22.0194 -22.0183 -14.1475 -14.1475 -5.6722 -5.6709 -5.6287 -5.6239 -5.6082 -5.6066 -1.4484 -1.4213 0.2322 0.2392 0.2765 0.3026 6.0667 6.0671 6.6855 6.6876 6.7464 6.7478 7.5894 7.6225 7.9889 8.0208 8.1109 8.1215 10.1790 10.1824 10.2076 10.2153 10.2617 10.2691 14.6182 14.6203 14.7669 14.7681 14.7864 14.7879 16.9792 17.0148 k = 0.5000 0.4337-0.4377 ( 2746 PWs) bands (ev): -45.9060 -45.9060 -22.6703 -22.6696 -22.0234 -22.0232 -22.0198 -22.0188 -14.1459 -14.1459 -5.6586 -5.6562 -5.6245 -5.6191 -5.6050 -5.6037 -1.4610 -1.4368 0.2202 0.2264 0.2548 0.2782 6.0523 6.0526 6.6787 6.6805 6.7266 6.7280 7.6033 7.6326 8.0112 8.0375 8.1140 8.1250 10.2031 10.2070 10.2264 10.2338 10.2702 10.2783 14.6335 14.6351 14.7823 14.7833 14.7979 14.7992 16.9686 17.0027 k = 0.5000 0.4426-0.4466 ( 2742 PWs) bands (ev): -45.9060 -45.9060 -22.6706 -22.6700 -22.0236 -22.0234 -22.0201 -22.0193 -14.1445 -14.1445 -5.6476 -5.6439 -5.6203 -5.6139 -5.6020 -5.6010 -1.4721 -1.4509 0.2098 0.2151 0.2359 0.2564 6.0393 6.0395 6.6731 6.6746 6.7093 6.7106 7.6152 7.6404 8.0324 8.0530 8.1169 8.1283 10.2241 10.2285 10.2437 10.2508 10.2777 10.2866 14.6468 14.6481 14.7958 14.7967 14.8082 14.8093 16.9608 16.9924 k = 0.5000 0.4515-0.4555 ( 2754 PWs) bands (ev): -45.9059 -45.9059 -22.6708 -22.6703 -22.0239 -22.0238 -22.0204 -22.0198 -14.1433 -14.1433 -5.6390 -5.6346 -5.6155 -5.6085 -5.5993 -5.5984 -1.4814 -1.4634 0.2010 0.2053 0.2198 0.2373 6.0278 6.0279 6.6684 6.6697 6.6944 6.6955 7.6252 7.6463 8.0518 8.0668 8.1195 8.1312 10.2418 10.2467 10.2593 10.2657 10.2844 10.2939 14.6581 14.6591 14.8073 14.8080 14.8173 14.8182 16.9561 16.9838 k = 0.5000 0.4604-0.4644 ( 2762 PWs) bands (ev): -45.9059 -45.9059 -22.6710 -22.6706 -22.0241 -22.0240 -22.0207 -22.0201 -14.1423 -14.1423 -5.6328 -5.6284 -5.6101 -5.6033 -5.5969 -5.5958 -1.4889 -1.4741 0.1937 0.1970 0.2067 0.2211 6.0181 6.0182 6.6647 6.6658 6.6820 6.6830 7.6335 7.6505 8.0688 8.0786 8.1219 8.1336 10.2562 10.2614 10.2728 10.2782 10.2906 10.3003 14.6674 14.6682 14.8169 14.8173 14.8251 14.8258 16.9543 16.9765 k = 0.5000 0.4693-0.4733 ( 2776 PWs) bands (ev): -45.9059 -45.9059 -22.6712 -22.6709 -22.0243 -22.0243 -22.0208 -22.0204 -14.1415 -14.1415 -5.6283 -5.6248 -5.6049 -5.5992 -5.5944 -5.5934 -1.4946 -1.4831 0.1881 0.1904 0.1966 0.2077 6.0103 6.0103 6.6619 6.6627 6.6722 6.6729 7.6403 7.6533 8.0827 8.0882 8.1243 8.1352 10.2673 10.2726 10.2838 10.2873 10.2972 10.3056 14.6748 14.6753 14.8243 14.8246 14.8316 14.8320 16.9550 16.9699 k = 0.5000 0.4781-0.4822 ( 2792 PWs) bands (ev): -45.9059 -45.9059 -22.6713 -22.6711 -22.0245 -22.0245 -22.0210 -22.0207 -14.1409 -14.1409 -5.6253 -5.6228 -5.6007 -5.5969 -5.5916 -5.5911 -1.4983 -1.4903 0.1842 0.1854 0.1894 0.1973 6.0044 6.0044 6.6599 6.6604 6.6650 6.6655 7.6457 7.6547 8.0932 8.0953 8.1267 8.1359 10.2755 10.2801 10.2919 10.2933 10.3039 10.3098 14.6803 14.6806 14.8297 14.8298 14.8365 14.8367 16.9571 16.9640 k = 0.5000 0.4870-0.4911 ( 2800 PWs) bands (ev): -45.9059 -45.9059 -22.6714 -22.6713 -22.0247 -22.0247 -22.0210 -22.0209 -14.1405 -14.1405 -5.6232 -5.6218 -5.5979 -5.5960 -5.5894 -5.5893 -1.5001 -1.4956 0.1818 0.1822 0.1853 0.1899 6.0006 6.0006 6.6585 6.6588 6.6605 6.6607 7.6498 7.6549 8.0997 8.1001 8.1295 8.1355 10.2811 10.2840 10.2969 10.2972 10.3093 10.3125 14.6838 14.6840 14.8331 14.8331 14.8398 14.8399 16.9582 16.9602 k = 0.5000 0.4959-0.5000 ( 2800 PWs) bands (ev): -45.9059 -45.9059 -22.6714 -22.6714 -22.0247 -22.0247 -22.0210 -22.0210 -14.1404 -14.1404 -5.6221 -5.6218 -5.5964 -5.5960 -5.5883 -5.5883 -1.5000 -1.4989 0.1807 0.1808 0.1845 0.1856 5.9989 5.9989 6.6577 6.6577 6.6588 6.6588 7.6527 7.6539 8.1024 8.1024 8.1323 8.1338 10.2841 10.2849 10.2991 10.2991 10.3124 10.3131 14.6854 14.6854 14.8346 14.8346 14.8413 14.8413 16.9578 16.9583 k = 0.5027 0.4986 0.4945 ( 2800 PWs) bands (ev): -45.9059 -45.9059 -22.6714 -22.6714 -22.0247 -22.0247 -22.0210 -22.0210 -14.1404 -14.1404 -5.6221 -5.6218 -5.5964 -5.5960 -5.5883 -5.5883 -1.5000 -1.4989 0.1807 0.1808 0.1845 0.1856 5.9989 5.9989 6.6577 6.6577 6.6588 6.6588 7.6527 7.6539 8.1024 8.1024 8.1323 8.1338 10.2841 10.2849 10.2991 10.2991 10.3124 10.3131 14.6854 14.6854 14.8346 14.8346 14.8413 14.8413 16.9578 16.9578 k = 0.5000 0.4986 0.4973 ( 2800 PWs) bands (ev): -45.9059 -45.9059 -22.6714 -22.6714 -22.0247 -22.0247 -22.0210 -22.0210 -14.1404 -14.1404 -5.6219 -5.6219 -5.5962 -5.5962 -5.5882 -5.5882 -1.4995 -1.4995 0.1807 0.1807 0.1849 0.1849 5.9988 5.9988 6.6577 6.6577 6.6588 6.6588 7.6534 7.6534 8.1025 8.1025 8.1331 8.1331 10.2846 10.2846 10.2992 10.2992 10.3129 10.3129 14.6855 14.6855 14.8347 14.8347 14.8414 14.8414 16.9577 16.9577 k = 0.5000 0.4986 0.4973 ( 2800 PWs) bands (ev): -45.9059 -45.9059 -22.6714 -22.6714 -22.0247 -22.0247 -22.0210 -22.0210 -14.1404 -14.1404 -5.6219 -5.6219 -5.5962 -5.5962 -5.5882 -5.5882 -1.4995 -1.4995 0.1807 0.1807 0.1849 0.1849 5.9988 5.9988 6.6577 6.6577 6.6588 6.6588 7.6534 7.6534 8.1025 8.1025 8.1331 8.1331 10.2846 10.2846 10.2992 10.2992 10.3129 10.3129 14.6855 14.6855 14.8347 14.8347 14.8414 14.8414 16.9577 16.9577 k = 0.4926 0.4913 0.4900 ( 2800 PWs) bands (ev): -45.9059 -45.9059 -22.6714 -22.6714 -22.0247 -22.0247 -22.0210 -22.0210 -14.1405 -14.1405 -5.6225 -5.6225 -5.5968 -5.5968 -5.5884 -5.5884 -1.4985 -1.4985 0.1815 0.1815 0.1865 0.1865 6.0001 6.0001 6.6584 6.6584 6.6595 6.6595 7.6529 7.6529 8.1023 8.1023 8.1313 8.1313 10.2831 10.2831 10.2975 10.2976 10.3121 10.3121 14.6847 14.6847 14.8336 14.8338 14.8404 14.8404 16.9598 16.9604 k = 0.4853 0.4840 0.4826 ( 2800 PWs) bands (ev): -45.9059 -45.9059 -22.6713 -22.6713 -22.0246 -22.0246 -22.0209 -22.0209 -14.1408 -14.1408 -5.6246 -5.6246 -5.5987 -5.5987 -5.5891 -5.5891 -1.4955 -1.4955 0.1839 0.1839 0.1914 0.1914 6.0041 6.0041 6.6606 6.6606 6.6617 6.6618 7.6514 7.6514 8.1015 8.1017 8.1258 8.1258 10.2785 10.2785 10.2926 10.2928 10.3099 10.3099 14.6822 14.6822 14.8306 14.8309 14.8374 14.8374 16.9665 16.9676 k = 0.4779 0.4766 0.4753 ( 2800 PWs) bands (ev): -45.9059 -45.9059 -22.6712 -22.6712 -22.0245 -22.0245 -22.0208 -22.0208 -14.1413 -14.1413 -5.6283 -5.6283 -5.6016 -5.6016 -5.5901 -5.5901 -1.4906 -1.4906 0.1878 0.1878 0.1995 0.1995 6.0107 6.0107 6.6643 6.6643 6.6654 6.6656 7.6489 7.6489 8.1003 8.1005 8.1168 8.1168 10.2707 10.2707 10.2845 10.2848 10.3063 10.3063 14.6782 14.6782 14.8256 14.8260 14.8325 14.8325 16.9777 16.9794 k = 0.4706 0.4693 0.4680 ( 2800 PWs) bands (ev): -45.9060 -45.9060 -22.6710 -22.6710 -22.0243 -22.0243 -22.0206 -22.0206 -14.1421 -14.1421 -5.6340 -5.6340 -5.6050 -5.6050 -5.5915 -5.5915 -1.4837 -1.4837 0.1934 0.1934 0.2109 0.2109 6.0199 6.0199 6.6695 6.6695 6.6706 6.6709 7.6453 7.6453 8.0986 8.0989 8.1045 8.1045 10.2599 10.2599 10.2733 10.2737 10.3015 10.3015 14.6725 14.6725 14.8186 14.8191 14.8256 14.8256 16.9937 16.9968 k = 0.4632 0.4620 0.4607 ( 2764 PWs) bands (ev): -45.9060 -45.9060 -22.6707 -22.6707 -22.0240 -22.0240 -22.0201 -22.0201 -14.1431 -14.1431 -5.6420 -5.6420 -5.6086 -5.6086 -5.5933 -5.5933 -1.4749 -1.4749 0.2005 0.2005 0.2254 0.2254 6.0316 6.0316 6.6762 6.6762 6.6774 6.6777 7.6405 7.6405 8.0892 8.0892 8.0965 8.0969 10.2460 10.2460 10.2592 10.2597 10.2954 10.2954 14.6653 14.6653 14.8097 14.8103 14.8167 14.8167 17.0128 17.0157 k = 0.4559 0.4546 0.4534 ( 2734 PWs) bands (ev): -45.9060 -45.9060 -22.6703 -22.6703 -22.0235 -22.0235 -22.0198 -22.0198 -14.1443 -14.1443 -5.6523 -5.6523 -5.6123 -5.6123 -5.5955 -5.5955 -1.4644 -1.4644 0.2091 0.2091 0.2429 0.2429 6.0460 6.0460 6.6843 6.6843 6.6856 6.6860 7.6344 7.6344 8.0713 8.0713 8.0939 8.0944 10.2293 10.2293 10.2423 10.2429 10.2882 10.2882 14.6564 14.6564 14.7988 14.7996 14.8059 14.8059 17.0359 17.0394 k = 0.4485 0.4473 0.4461 ( 2734 PWs) bands (ev): -45.9060 -45.9060 -22.6700 -22.6700 -22.0232 -22.0232 -22.0195 -22.0195 -14.1457 -14.1457 -5.6649 -5.6649 -5.6161 -5.6161 -5.5981 -5.5981 -1.4522 -1.4522 0.2191 0.2192 0.2634 0.2634 6.0627 6.0627 6.6938 6.6938 6.6952 6.6957 7.6269 7.6269 8.0512 8.0512 8.0908 8.0914 10.2098 10.2098 10.2229 10.2234 10.2798 10.2798 14.6461 14.6461 14.7860 14.7869 14.7932 14.7932 17.0624 17.0665 k = 0.4412 0.4400 0.4388 ( 2743 PWs) bands (ev): -45.9060 -45.9060 -22.6697 -22.6697 -22.0228 -22.0228 -22.0192 -22.0192 -14.1473 -14.1473 -5.6796 -5.6796 -5.6199 -5.6199 -5.6010 -5.6010 -1.4384 -1.4384 0.2306 0.2307 0.2868 0.2868 6.0819 6.0819 6.7047 6.7047 6.7063 6.7069 7.6179 7.6179 8.0295 8.0295 8.0874 8.0881 10.1878 10.1878 10.2010 10.2017 10.2702 10.2702 14.6342 14.6342 14.7712 14.7723 14.7786 14.7786 17.0913 17.0959 k = 0.4338 0.4326 0.4315 ( 2743 PWs) bands (ev): -45.9060 -45.9060 -22.6693 -22.6693 -22.0224 -22.0224 -22.0187 -22.0187 -14.1491 -14.1491 -5.6962 -5.6962 -5.6239 -5.6239 -5.6043 -5.6043 -1.4231 -1.4231 0.2435 0.2436 0.3130 0.3130 6.1033 6.1033 6.7171 6.7171 6.7187 6.7194 7.6071 7.6071 8.0067 8.0067 8.0835 8.0844 10.1636 10.1636 10.1771 10.1778 10.2596 10.2596 14.6208 14.6208 14.7547 14.7559 14.7621 14.7621 17.1220 17.1272 k = 0.4265 0.4253 0.4241 ( 2743 PWs) bands (ev): -45.9061 -45.9061 -22.6689 -22.6689 -22.0219 -22.0219 -22.0183 -22.0183 -14.1511 -14.1511 -5.7144 -5.7144 -5.6281 -5.6281 -5.6079 -5.6079 -1.4064 -1.4064 0.2578 0.2578 0.3418 0.3418 6.1269 6.1269 6.7308 6.7308 6.7326 6.7334 7.5943 7.5943 7.9835 7.9835 8.0793 8.0803 10.1374 10.1374 10.1513 10.1521 10.2478 10.2478 14.6060 14.6060 14.7362 14.7376 14.7438 14.7438 17.1539 17.1596 k = 0.4191 0.4180 0.4168 ( 2743 PWs) bands (ev): -45.9061 -45.9061 -22.6685 -22.6685 -22.0214 -22.0214 -22.0178 -22.0178 -14.1534 -14.1534 -5.7342 -5.7342 -5.6325 -5.6325 -5.6119 -5.6119 -1.3886 -1.3886 0.2733 0.2733 0.3731 0.3731 6.1526 6.1526 6.7458 6.7458 6.7479 6.7487 7.5795 7.5795 7.9606 7.9606 8.0748 8.0758 10.1095 10.1095 10.1239 10.1247 10.2350 10.2350 14.5898 14.5898 14.7160 14.7175 14.7237 14.7237 17.1861 17.1923 k = 0.4118 0.4106 0.4095 ( 2743 PWs) bands (ev): -45.9061 -45.9061 -22.6680 -22.6680 -22.0208 -22.0208 -22.0173 -22.0173 -14.1558 -14.1558 -5.7554 -5.7554 -5.6371 -5.6371 -5.6161 -5.6161 -1.3696 -1.3696 0.2900 0.2900 0.4066 0.4066 6.1803 6.1803 6.7622 6.7622 6.7644 6.7654 7.5625 7.5625 7.9385 7.9385 8.0699 8.0711 10.0801 10.0801 10.0953 10.0961 10.2211 10.2211 14.5721 14.5721 14.6940 14.6956 14.7019 14.7019 17.2175 17.2241 k = 0.4044 0.4033 0.4022 ( 2743 PWs) bands (ev): -45.9062 -45.9062 -22.6674 -22.6674 -22.0202 -22.0202 -22.0167 -22.0167 -14.1585 -14.1585 -5.7778 -5.7778 -5.6420 -5.6420 -5.6206 -5.6206 -1.3497 -1.3497 0.3079 0.3079 0.4423 0.4423 6.2096 6.2096 6.7798 6.7798 6.7823 6.7834 7.5435 7.5435 7.9179 7.9179 8.0648 8.0661 10.0495 10.0495 10.0656 10.0665 10.2061 10.2061 14.5531 14.5531 14.6703 14.6720 14.6783 14.6783 17.2469 17.2542 k = 0.3971 0.3960 0.3949 ( 2743 PWs) bands (ev): -45.9062 -45.9062 -22.6669 -22.6669 -22.0196 -22.0196 -22.0160 -22.0160 -14.1613 -14.1613 -5.8012 -5.8012 -5.6471 -5.6471 -5.6254 -5.6254 -1.3289 -1.3289 0.3268 0.3268 0.4798 0.4798 6.2406 6.2406 6.7986 6.7986 6.8015 6.8026 7.5225 7.5225 7.8991 7.8991 8.0595 8.0610 10.0180 10.0180 10.0352 10.0361 10.1903 10.1903 14.5327 14.5327 14.6449 14.6468 14.6531 14.6531 17.2734 17.2808 k = 0.3897 0.3886 0.3876 ( 2746 PWs) bands (ev): -45.9062 -45.9062 -22.6663 -22.6663 -22.0189 -22.0189 -22.0154 -22.0154 -14.1643 -14.1643 -5.8256 -5.8256 -5.6524 -5.6524 -5.6304 -5.6304 -1.3074 -1.3074 0.3467 0.3467 0.5191 0.5191 6.2728 6.2728 6.8187 6.8187 6.8218 6.8231 7.5001 7.5001 7.8824 7.8824 8.0540 8.0556 9.9859 9.9859 10.0044 10.0053 10.1734 10.1734 14.5109 14.5109 14.6179 14.6199 14.6262 14.6262 17.2954 17.3030 k = 0.3824 0.3813 0.3803 ( 2746 PWs) bands (ev): -45.9063 -45.9063 -22.6656 -22.6656 -22.0181 -22.0181 -22.0147 -22.0147 -14.1676 -14.1676 -5.8507 -5.8507 -5.6579 -5.6579 -5.6356 -5.6356 -1.2854 -1.2854 0.3675 0.3675 0.5597 0.5597 6.3061 6.3061 6.8399 6.8399 6.8434 6.8448 7.4768 7.4768 7.8679 7.8679 8.0485 8.0502 9.9534 9.9534 9.9733 9.9742 10.1557 10.1557 14.4879 14.4879 14.5893 14.5914 14.5978 14.5978 17.3120 17.3196 k = 0.3750 0.3740 0.3730 ( 2740 PWs) bands (ev): -45.9063 -45.9063 -22.6649 -22.6649 -22.0173 -22.0173 -22.0139 -22.0139 -14.1710 -14.1710 -5.8764 -5.8764 -5.6635 -5.6635 -5.6410 -5.6410 -1.2629 -1.2629 0.3891 0.3892 0.6016 0.6016 6.3401 6.3401 6.8622 6.8622 6.8661 6.8676 7.4534 7.4534 7.8557 7.8557 8.0429 8.0448 9.9207 9.9207 9.9424 9.9433 10.1372 10.1372 14.4635 14.4635 14.5591 14.5614 14.5679 14.5679 17.3221 17.3297 k = 0.3676 0.3666 0.3656 ( 2728 PWs) bands (ev): -45.9064 -45.9064 -22.6642 -22.6642 -22.0164 -22.0164 -22.0131 -22.0131 -14.1746 -14.1746 -5.9026 -5.9026 -5.6692 -5.6692 -5.6466 -5.6466 -1.2402 -1.2402 0.4114 0.4115 0.6444 0.6444 6.3744 6.3744 6.8856 6.8856 6.8899 6.8915 7.4308 7.4308 7.8457 7.8457 8.0374 8.0395 9.8881 9.8881 9.9118 9.9127 10.1178 10.1178 14.4379 14.4379 14.5275 14.5299 14.5365 14.5365 17.3250 17.3323 k = 0.3603 0.3593 0.3583 ( 2725 PWs) bands (ev): -45.9064 -45.9064 -22.6634 -22.6634 -22.0156 -22.0156 -22.0123 -22.0123 -14.1784 -14.1784 -5.9291 -5.9291 -5.6751 -5.6751 -5.6523 -5.6523 -1.2172 -1.2172 0.4344 0.4345 0.6878 0.6878 6.4086 6.4086 6.9100 6.9100 6.9147 6.9165 7.4100 7.4100 7.8378 7.8378 8.0320 8.0343 9.8559 9.8559 9.8817 9.8826 10.0978 10.0978 14.4109 14.4109 14.4945 14.4970 14.5038 14.5038 17.3202 17.3271 k = 0.3529 0.3520 0.3510 ( 2734 PWs) bands (ev): -45.9065 -45.9065 -22.6627 -22.6627 -22.0147 -22.0147 -22.0115 -22.0115 -14.1823 -14.1823 -5.9559 -5.9559 -5.6811 -5.6811 -5.6581 -5.6581 -1.1943 -1.1943 0.4578 0.4579 0.7315 0.7315 6.4422 6.4422 6.9353 6.9353 6.9405 6.9425 7.3920 7.3920 7.8317 7.8317 8.0269 8.0294 9.8243 9.8243 9.8524 9.8532 10.0770 10.0770 14.3828 14.3828 14.4601 14.4627 14.4697 14.4697 17.3078 17.3141 k = 0.3456 0.3446 0.3437 ( 2728 PWs) bands (ev): -45.9065 -45.9065 -22.6619 -22.6619 -22.0138 -22.0138 -22.0106 -22.0106 -14.1865 -14.1865 -5.9827 -5.9827 -5.6871 -5.6871 -5.6641 -5.6641 -1.1713 -1.1713 0.4817 0.4818 0.7753 0.7753 6.4747 6.4747 6.9616 6.9616 6.9673 6.9695 7.3780 7.3780 7.8276 7.8276 8.0221 8.0249 9.7934 9.7934 9.8241 9.8249 10.0556 10.0556 14.3533 14.3533 14.4245 14.4272 14.4344 14.4344 17.2884 17.2939 k = 0.3382 0.3373 0.3364 ( 2740 PWs) bands (ev): -45.9066 -45.9066 -22.6611 -22.6611 -22.0129 -22.0129 -22.0097 -22.0097 -14.1908 -14.1908 -6.0095 -6.0095 -5.6932 -5.6932 -5.6701 -5.6701 -1.1486 -1.1486 0.5059 0.5060 0.8189 0.8189 6.5055 6.5055 6.9887 6.9887 6.9949 6.9973 7.3689 7.3689 7.8251 7.8251 8.0177 8.0208 9.7634 9.7634 9.7969 9.7976 10.0335 10.0335 14.3227 14.3227 14.3877 14.3905 14.3979 14.3979 17.2610 17.2660 k = 0.3309 0.3300 0.3291 ( 2737 PWs) bands (ev): -45.9067 -45.9067 -22.6603 -22.6603 -22.0119 -22.0119 -22.0088 -22.0088 -14.1952 -14.1952 -6.0362 -6.0362 -5.6993 -5.6993 -5.6762 -5.6762 -1.1262 -1.1262 0.5304 0.5304 0.8618 0.8618 6.5342 6.5342 7.0166 7.0166 7.0234 7.0260 7.3658 7.3658 7.8244 7.8244 8.0140 8.0173 9.7346 9.7346 9.7710 9.7717 10.0110 10.0110 14.2909 14.2909 14.3497 14.3526 14.3603 14.3603 17.2278 17.2322 k = 0.3235 0.3226 0.3218 ( 2734 PWs) bands (ev): -45.9067 -45.9067 -22.6594 -22.6594 -22.0109 -22.0109 -22.0078 -22.0078 -14.1999 -14.1999 -6.0626 -6.0626 -5.7054 -5.7054 -5.6823 -5.6823 -1.1042 -1.1042 0.5549 0.5550 0.9039 0.9039 6.5604 6.5604 7.0452 7.0452 7.0527 7.0554 7.3694 7.3694 7.8252 7.8252 8.0109 8.0145 9.7070 9.7070 9.7466 9.7472 9.9880 9.9880 14.2579 14.2579 14.3107 14.3137 14.3217 14.3217 17.1891 17.1929 k = 0.3162 0.3153 0.3145 ( 2743 PWs) bands (ev): -45.9068 -45.9068 -22.6586 -22.6586 -22.0099 -22.0099 -22.0068 -22.0068 -14.2047 -14.2047 -6.0887 -6.0887 -5.7115 -5.7115 -5.6885 -5.6884 -1.0826 -1.0826 0.5794 0.5795 0.9448 0.9448 6.5839 6.5839 7.0746 7.0746 7.0827 7.0856 7.3802 7.3802 7.8277 7.8277 8.0087 8.0125 9.6809 9.6809 9.7237 9.7243 9.9645 9.9645 14.2237 14.2237 14.2706 14.2738 14.2821 14.2821 17.1456 17.1482 k = 0.3088 0.3080 0.3071 ( 2743 PWs) bands (ev): -45.9069 -45.9069 -22.6576 -22.6576 -22.0088 -22.0088 -22.0058 -22.0058 -14.2096 -14.2096 -6.1143 -6.1143 -5.7176 -5.7176 -5.6946 -5.6946 -1.0617 -1.0617 0.6038 0.6039 0.9843 0.9843 6.6050 6.6050 7.1046 7.1046 7.1133 7.1165 7.3986 7.3986 7.8318 7.8318 8.0074 8.0116 9.6564 9.6564 9.7026 9.7031 9.9407 9.9407 14.1884 14.1884 14.2297 14.2329 14.2417 14.2417 17.0973 17.0986 k = 0.3015 0.3006 0.2998 ( 2737 PWs) bands (ev): -45.9069 -45.9069 -22.6567 -22.6567 -22.0078 -22.0078 -22.0048 -22.0048 -14.2147 -14.2147 -6.1394 -6.1394 -5.7235 -5.7235 -5.7007 -5.7007 -1.0415 -1.0415 0.6280 0.6281 1.0219 1.0219 6.6239 6.6239 7.1351 7.1351 7.1446 7.1481 7.4243 7.4243 7.8375 7.8375 8.0072 8.0117 9.6336 9.6336 9.6832 9.6837 9.9166 9.9166 14.1520 14.1520 14.1879 14.1913 14.2005 14.2005 17.0453 17.0454 k = 0.2941 0.2933 0.2925 ( 2737 PWs) bands (ev): -45.9070 -45.9070 -22.6557 -22.6557 -22.0067 -22.0067 -22.0037 -22.0037 -14.2199 -14.2199 -6.1638 -6.1638 -5.7294 -5.7294 -5.7068 -5.7067 -1.0221 -1.0221 0.6518 0.6519 1.0576 1.0576 6.6412 6.6412 7.1663 7.1663 7.1764 7.1801 7.4572 7.4572 7.8448 7.8448 8.0082 8.0130 9.6125 9.6125 9.6656 9.6661 9.8923 9.8923 14.1146 14.1146 14.1454 14.1489 14.1587 14.1587 16.9891 16.9892 k = 0.2868 0.2860 0.2852 ( 2743 PWs) bands (ev): -45.9071 -45.9071 -22.6548 -22.6548 -22.0056 -22.0056 -22.0027 -22.0027 -14.2252 -14.2252 -6.1876 -6.1876 -5.7352 -5.7352 -5.7128 -5.7128 -1.0035 -1.0035 0.6753 0.6754 1.0909 1.0909 6.6578 6.6578 7.1979 7.1979 7.2088 7.2128 7.4965 7.4965 7.8537 7.8537 8.0105 8.0156 9.5933 9.5933 9.6500 9.6504 9.8677 9.8677 14.0761 14.0761 14.1022 14.1058 14.1162 14.1162 16.9301 16.9302 k = 0.2794 0.2786 0.2779 ( 2743 PWs) bands (ev): -45.9071 -45.9071 -22.6539 -22.6539 -22.0045 -22.0045 -22.0016 -22.0016 -14.2307 -14.2307 -6.2107 -6.2107 -5.7409 -5.7409 -5.7187 -5.7187 -0.9858 -0.9858 0.6982 0.6984 1.1217 1.1217 6.6745 6.6745 7.2299 7.2299 7.2416 7.2459 7.5417 7.5417 7.8643 7.8643 8.0142 8.0197 9.5761 9.5761 9.6363 9.6367 9.8430 9.8430 14.0366 14.0366 14.0585 14.0621 14.0732 14.0732 16.8688 16.8689 k = 0.2721 0.2713 0.2706 ( 2743 PWs) bands (ev): -45.9072 -45.9072 -22.6529 -22.6529 -22.0034 -22.0034 -22.0005 -22.0005 -14.2363 -14.2363 -6.2329 -6.2329 -5.7464 -5.7464 -5.7245 -5.7245 -0.9691 -0.9691 0.7206 0.7207 1.1498 1.1498 6.6921 6.6921 7.2624 7.2624 7.2749 7.2795 7.5920 7.5920 7.8766 7.8766 8.0195 8.0253 9.5609 9.5609 9.6246 9.6250 9.8182 9.8182 13.9962 13.9962 14.0142 14.0179 14.0297 14.0297 16.8055 16.8055 k = 0.2647 0.2640 0.2633 ( 2746 PWs) bands (ev): -45.9073 -45.9073 -22.6519 -22.6519 -22.0022 -22.0022 -21.9994 -21.9994 -14.2420 -14.2420 -6.2543 -6.2543 -5.7518 -5.7518 -5.7302 -5.7302 -0.9535 -0.9535 0.7422 0.7424 1.1750 1.1750 6.7112 6.7112 7.2951 7.2951 7.3086 7.3135 7.6467 7.6467 7.8905 7.8905 8.0263 8.0325 9.5477 9.5477 9.6149 9.6152 9.7934 9.7934 13.9549 13.9549 13.9694 13.9732 13.9859 13.9859 16.7405 16.7405 k = 0.2574 0.2566 0.2559 ( 2740 PWs) bands (ev): -45.9073 -45.9073 -22.6509 -22.6509 -22.0011 -22.0011 -21.9983 -21.9983 -14.2477 -14.2477 -6.2748 -6.2748 -5.7570 -5.7570 -5.7358 -5.7358 -0.9390 -0.9390 0.7631 0.7632 1.1973 1.1973 6.7326 6.7326 7.3282 7.3282 7.3427 7.3479 7.7054 7.7054 7.9062 7.9062 8.0348 8.0414 9.5367 9.5367 9.6073 9.6075 9.7686 9.7686 13.9129 13.9129 13.9243 13.9282 13.9418 13.9418 16.6739 16.6739 k = 0.2500 0.2493 0.2486 ( 2752 PWs) bands (ev): -45.9074 -45.9074 -22.6499 -22.6499 -22.0000 -22.0000 -21.9972 -21.9972 -14.2536 -14.2536 -6.2943 -6.2943 -5.7621 -5.7621 -5.7413 -5.7413 -0.9257 -0.9257 0.7832 0.7833 1.2164 1.2164 6.7567 6.7567 7.3615 7.3615 7.3772 7.3826 7.7673 7.7673 7.9237 7.9237 8.0451 8.0519 9.5278 9.5278 9.6016 9.6017 9.7439 9.7439 13.8701 13.8701 13.8790 13.8829 13.8975 13.8975 16.6061 16.6061 k = 0.2426 0.2420 0.2413 ( 2740 PWs) bands (ev): -45.9075 -45.9075 -22.6489 -22.6489 -21.9988 -21.9988 -21.9960 -21.9960 -14.2596 -14.2596 -6.3129 -6.3129 -5.7670 -5.7670 -5.7467 -5.7466 -0.9135 -0.9135 0.8023 0.8024 1.2324 1.2324 6.7838 6.7838 7.3950 7.3950 7.4120 7.4177 7.8319 7.8319 7.9430 7.9430 8.0570 8.0643 9.5210 9.5210 9.5979 9.5980 9.7193 9.7193 13.8268 13.8268 13.8334 13.8374 13.8531 13.8531 16.5372 16.5373 k = 0.2353 0.2347 0.2340 ( 2740 PWs) bands (ev): -45.9076 -45.9076 -22.6479 -22.6479 -21.9977 -21.9977 -21.9949 -21.9949 -14.2656 -14.2656 -6.3305 -6.3305 -5.7717 -5.7717 -5.7518 -5.7518 -0.9025 -0.9025 0.8205 0.8206 1.2452 1.2452 6.8142 6.8142 7.4287 7.4287 7.4472 7.4532 7.8984 7.8984 7.9645 7.9645 8.0708 8.0783 9.5164 9.5164 9.5962 9.5962 9.6948 9.6948 13.7830 13.7830 13.7877 13.7918 13.8085 13.8085 16.4676 16.4679 k = 0.2279 0.2273 0.2267 ( 2737 PWs) bands (ev): -45.9076 -45.9076 -22.6469 -22.6469 -21.9965 -21.9965 -21.9938 -21.9938 -14.2717 -14.2717 -6.3471 -6.3471 -5.7761 -5.7761 -5.7568 -5.7568 -0.8928 -0.8928 0.8377 0.8378 1.2549 1.2549 6.8480 6.8480 7.4625 7.4625 7.4827 7.4889 7.9633 7.9633 7.9914 7.9914 8.0863 8.0942 9.5140 9.5140 9.5964 9.5964 9.6707 9.6707 13.7388 13.7388 13.7420 13.7461 13.7639 13.7639 16.3972 16.3972 k = 0.2206 0.2200 0.2194 ( 2737 PWs) bands (ev): -45.9077 -45.9077 -22.6459 -22.6459 -21.9954 -21.9954 -21.9926 -21.9926 -14.2778 -14.2778 -6.3626 -6.3626 -5.7804 -5.7804 -5.7617 -5.7617 -0.8843 -0.8843 0.8538 0.8539 1.2616 1.2616 6.8851 6.8851 7.4964 7.4964 7.5184 7.5250 8.0043 8.0043 8.0458 8.0458 8.1035 8.1117 9.5136 9.5136 9.5985 9.5985 9.6467 9.6467 13.6944 13.6944 13.6962 13.7004 13.7193 13.7193 16.3264 16.3264 k = 0.2132 0.2127 0.2121 ( 2743 PWs) bands (ev): -45.9078 -45.9078 -22.6449 -22.6449 -21.9943 -21.9943 -21.9915 -21.9915 -14.2839 -14.2839 -6.3772 -6.3772 -5.7845 -5.7845 -5.7663 -5.7663 -0.8770 -0.8770 0.8689 0.8690 1.2654 1.2654 6.9256 6.9256 7.5302 7.5302 7.5545 7.5613 8.0319 8.0319 8.1166 8.1166 8.1225 8.1310 9.5154 9.5154 9.6024 9.6024 9.6232 9.6232 13.6499 13.6499 13.6506 13.6548 13.6747 13.6747 16.2553 16.2553 k = 0.2059 0.2053 0.2048 ( 2737 PWs) bands (ev): -45.9078 -45.9078 -22.6439 -22.6439 -21.9932 -21.9932 -21.9904 -21.9904 -14.2901 -14.2901 -6.3907 -6.3907 -5.7884 -5.7884 -5.7708 -5.7708 -0.8710 -0.8710 0.8828 0.8830 1.2663 1.2663 6.9692 6.9692 7.5639 7.5639 7.5907 7.5977 8.0597 8.0597 8.1432 8.1520 8.1902 8.1902 9.5191 9.5191 9.6000 9.6000 9.6081 9.6082 13.6051 13.6054 13.6054 13.6094 13.6303 13.6303 16.1841 16.1841 k = 0.1985 0.1980 0.1974 ( 2749 PWs) bands (ev): -45.9079 -45.9079 -22.6430 -22.6430 -21.9921 -21.9921 -21.9894 -21.9894 -14.2963 -14.2963 -6.4032 -6.4032 -5.7920 -5.7920 -5.7751 -5.7751 -0.8662 -0.8662 0.8957 0.8958 1.2646 1.2646 7.0158 7.0158 7.5973 7.5973 7.6271 7.6343 8.0887 8.0887 8.1656 8.1746 8.2653 8.2653 9.5248 9.5248 9.5772 9.5772 9.6156 9.6156 13.5598 13.5610 13.5610 13.5642 13.5862 13.5862 16.1130 16.1137 k = 0.1912 0.1907 0.1901 ( 2749 PWs) bands (ev): -45.9080 -45.9080 -22.6421 -22.6421 -21.9911 -21.9911 -21.9883 -21.9883 -14.3024 -14.3024 -6.4146 -6.4146 -5.7955 -5.7955 -5.7792 -5.7792 -0.8625 -0.8625 0.9074 0.9076 1.2605 1.2605 7.0650 7.0650 7.6305 7.6305 7.6636 7.6710 8.1192 8.1192 8.1897 8.1989 8.3413 8.3413 9.5321 9.5321 9.5552 9.5552 9.6246 9.6247 13.5148 13.5169 13.5169 13.5192 13.5423 13.5423 16.0420 16.0420 k = 0.1838 0.1833 0.1828 ( 2737 PWs) bands (ev): -45.9080 -45.9080 -22.6411 -22.6411 -21.9899 -21.9899 -21.9872 -21.9872 -14.3085 -14.3085 -6.4251 -6.4251 -5.7987 -5.7987 -5.7831 -5.7831 -0.8600 -0.8600 0.9181 0.9182 1.2541 1.2541 7.1165 7.1165 7.6632 7.6632 7.7000 7.7075 8.1513 8.1513 8.2155 8.2248 8.4181 8.4181 9.5313 9.5313 9.5436 9.5436 9.6353 9.6353 13.4702 13.4730 13.4730 13.4746 13.4988 13.4988 15.9715 15.9716 k = 0.1765 0.1760 0.1755 ( 2731 PWs) bands (ev): -45.9081 -45.9081 -22.6401 -22.6401 -21.9889 -21.9889 -21.9861 -21.9861 -14.3146 -14.3146 -6.4347 -6.4347 -5.8017 -5.8017 -5.7869 -5.7868 -0.8586 -0.8586 0.9277 0.9278 1.2458 1.2458 7.1700 7.1700 7.6954 7.6954 7.7363 7.7439 8.1850 8.1850 8.2429 8.2522 8.4954 8.4954 9.5110 9.5110 9.5539 9.5539 9.6474 9.6474 13.4260 13.4296 13.4296 13.4304 13.4559 13.4559 15.9017 15.9021 k = 0.1691 0.1687 0.1682 ( 2731 PWs) bands (ev): -45.9082 -45.9082 -22.6392 -22.6392 -21.9879 -21.9879 -21.9850 -21.9850 -14.3206 -14.3206 -6.4433 -6.4433 -5.8046 -5.8046 -5.7904 -5.7904 -0.8582 -0.8582 0.9362 0.9363 1.2356 1.2356 7.2250 7.2250 7.7268 7.7268 7.7722 7.7798 8.2203 8.2203 8.2719 8.2813 8.5729 8.5729 9.4904 9.4904 9.5665 9.5665 9.6608 9.6608 13.3822 13.3867 13.3867 13.3867 13.4136 13.4136 15.8331 15.8351 k = 0.1618 0.1613 0.1609 ( 2731 PWs) bands (ev): -45.9082 -45.9082 -22.6384 -22.6384 -21.9869 -21.9869 -21.9840 -21.9840 -14.3265 -14.3265 -6.4510 -6.4510 -5.8072 -5.8072 -5.7937 -5.7937 -0.8588 -0.8588 0.9437 0.9439 1.2239 1.2239 7.2811 7.2811 7.7574 7.7574 7.8075 7.8151 8.2571 8.2571 8.3026 8.3119 8.6504 8.6504 9.4703 9.4703 9.5808 9.5808 9.6754 9.6755 13.3390 13.3435 13.3444 13.3444 13.3720 13.3720 15.7642 15.7645 k = 0.1544 0.1540 0.1536 ( 2731 PWs) bands (ev): -45.9083 -45.9083 -22.6375 -22.6375 -21.9859 -21.9859 -21.9830 -21.9830 -14.3323 -14.3323 -6.4578 -6.4578 -5.8096 -5.8096 -5.7969 -5.7969 -0.8603 -0.8603 0.9503 0.9504 1.2109 1.2109 7.3379 7.3379 7.7871 7.7871 7.8421 7.8496 8.2955 8.2955 8.3349 8.3441 8.7278 8.7278 9.4508 9.4508 9.5964 9.5964 9.6912 9.6912 13.2965 13.3009 13.3028 13.3028 13.3314 13.3314 15.6970 15.6970 k = 0.1471 0.1467 0.1463 ( 2737 PWs) bands (ev): -45.9083 -45.9083 -22.6367 -22.6367 -21.9850 -21.9850 -21.9821 -21.9821 -14.3381 -14.3381 -6.4639 -6.4639 -5.8118 -5.8118 -5.7998 -5.7998 -0.8626 -0.8626 0.9559 0.9560 1.1968 1.1968 7.3949 7.3949 7.8158 7.8158 7.8758 7.8831 8.3353 8.3353 8.3688 8.3778 8.8048 8.8048 9.4320 9.4320 9.6131 9.6131 9.7078 9.7078 13.2545 13.2590 13.2618 13.2618 13.2918 13.2918 15.6312 15.6316 k = 0.1397 0.1393 0.1389 ( 2743 PWs) bands (ev): -45.9084 -45.9084 -22.6359 -22.6359 -21.9841 -21.9841 -21.9812 -21.9812 -14.3436 -14.3436 -6.4692 -6.4692 -5.8139 -5.8139 -5.8026 -5.8026 -0.8657 -0.8657 0.9607 0.9608 1.1819 1.1819 7.4516 7.4516 7.8435 7.8435 7.9082 7.9153 8.3765 8.3765 8.4043 8.4131 8.8811 8.8811 9.4139 9.4139 9.6309 9.6309 9.7252 9.7253 13.2134 13.2178 13.2216 13.2216 13.2534 13.2534 15.5667 15.5667 k = 0.1324 0.1320 0.1316 ( 2743 PWs) bands (ev): -45.9084 -45.9084 -22.6351 -22.6351 -21.9833 -21.9833 -21.9803 -21.9803 -14.3491 -14.3491 -6.4737 -6.4737 -5.8158 -5.8158 -5.8052 -5.8052 -0.8694 -0.8694 0.9647 0.9648 1.1663 1.1663 7.5075 7.5075 7.8701 7.8701 7.9393 7.9461 8.4188 8.4188 8.4413 8.4497 8.9565 8.9565 9.3965 9.3965 9.6494 9.6494 9.7432 9.7433 13.1730 13.1774 13.1822 13.1822 13.2165 13.2165 15.5039 15.5043 k = 0.1250 0.1247 0.1243 ( 2737 PWs) bands (ev): -45.9085 -45.9085 -22.6344 -22.6344 -21.9824 -21.9824 -21.9794 -21.9794 -14.3543 -14.3543 -6.4776 -6.4776 -5.8175 -5.8175 -5.8076 -5.8076 -0.8736 -0.8736 0.9679 0.9680 1.1504 1.1504 7.5621 7.5621 7.8958 7.8958 7.9689 7.9754 8.4621 8.4621 8.4796 8.4876 9.0306 9.0306 9.3799 9.3799 9.6686 9.6686 9.7616 9.7618 13.1336 13.1379 13.1436 13.1436 13.1811 13.1811 15.4430 15.4433 k = 0.1176 0.1173 0.1170 ( 2725 PWs) bands (ev): -45.9085 -45.9085 -22.6336 -22.6336 -21.9815 -21.9815 -21.9785 -21.9785 -14.3594 -14.3594 -6.4808 -6.4808 -5.8190 -5.8190 -5.8098 -5.8098 -0.8784 -0.8784 0.9705 0.9706 1.1343 1.1343 7.6149 7.6149 7.9206 7.9206 7.9969 8.0029 8.5061 8.5061 8.5191 8.5267 9.1033 9.1033 9.3641 9.3641 9.6883 9.6883 9.7803 9.7805 13.0951 13.0994 13.1059 13.1059 13.1473 13.1473 15.3846 15.3853 k = 0.1103 0.1100 0.1097 ( 2734 PWs) bands (ev): -45.9086 -45.9086 -22.6330 -22.6330 -21.9808 -21.9808 -21.9778 -21.9778 -14.3643 -14.3643 -6.4835 -6.4835 -5.8204 -5.8204 -5.8119 -5.8119 -0.8835 -0.8835 0.9725 0.9726 1.1182 1.1182 7.6654 7.6654 7.9446 7.9446 8.0230 8.0287 8.5506 8.5506 8.5595 8.5666 9.1740 9.1740 9.3491 9.3491 9.7082 9.7082 9.7990 9.7992 13.0578 13.0620 13.0692 13.0692 13.1155 13.1155 15.3274 15.3275 k = 0.1029 0.1027 0.1024 ( 2746 PWs) bands (ev): -45.9086 -45.9086 -22.6324 -22.6324 -21.9802 -21.9802 -21.9771 -21.9771 -14.3689 -14.3689 -6.4857 -6.4857 -5.8217 -5.8217 -5.8138 -5.8138 -0.8889 -0.8889 0.9739 0.9740 1.1023 1.1023 7.7130 7.7130 7.9680 7.9680 8.0474 8.0526 8.5951 8.5951 8.6004 8.6070 9.2426 9.2426 9.3350 9.3350 9.7281 9.7281 9.8176 9.8179 13.0216 13.0257 13.0336 13.0336 13.0855 13.0855 15.2729 15.2733 k = 0.0956 0.0953 0.0951 ( 2749 PWs) bands (ev): -45.9087 -45.9087 -22.6318 -22.6318 -21.9795 -21.9795 -21.9764 -21.9764 -14.3733 -14.3733 -6.4875 -6.4875 -5.8228 -5.8228 -5.8156 -5.8156 -0.8944 -0.8944 0.9749 0.9750 1.0868 1.0868 7.7573 7.7573 7.9910 7.9910 8.0698 8.0746 8.6394 8.6394 8.6416 8.6477 9.3084 9.3084 9.3220 9.3220 9.7478 9.7478 9.8358 9.8361 12.9868 12.9908 12.9992 12.9992 13.0576 13.0576 15.2218 15.2226 k = 0.0882 0.0880 0.0878 ( 2743 PWs) bands (ev): -45.9087 -45.9087 -22.6312 -22.6312 -21.9788 -21.9788 -21.9757 -21.9757 -14.3775 -14.3775 -6.4888 -6.4888 -5.8238 -5.8238 -5.8172 -5.8171 -0.9000 -0.9000 0.9754 0.9755 1.0718 1.0718 7.7978 7.7978 8.0139 8.0139 8.0904 8.0947 8.6826 8.6830 8.6830 8.6881 9.3094 9.3094 9.3715 9.3715 9.7673 9.7673 9.8536 9.8539 12.9535 12.9573 12.9662 12.9662 13.0317 13.0317 15.1722 15.1724 k = 0.0809 0.0807 0.0804 ( 2749 PWs) bands (ev): -45.9088 -45.9088 -22.6307 -22.6307 -21.9783 -21.9783 -21.9751 -21.9751 -14.3814 -14.3814 -6.4898 -6.4898 -5.8246 -5.8246 -5.8186 -5.8186 -0.9056 -0.9056 0.9757 0.9758 1.0574 1.0574 7.8339 7.8339 8.0368 8.0368 8.1092 8.1131 8.7230 8.7256 8.7256 8.7280 9.2980 9.2980 9.4310 9.4310 9.7862 9.7862 9.8706 9.8709 12.9219 12.9255 12.9348 12.9348 13.0080 13.0080 15.1264 15.1284 k = 0.0735 0.0733 0.0731 ( 2749 PWs) bands (ev): -45.9088 -45.9088 -22.6302 -22.6302 -21.9778 -21.9778 -21.9745 -21.9745 -14.3850 -14.3850 -6.4905 -6.4905 -5.8254 -5.8254 -5.8199 -5.8199 -0.9111 -0.9111 0.9757 0.9757 1.0439 1.0439 7.8656 7.8656 8.0597 8.0597 8.1261 8.1296 8.7622 8.7667 8.7667 8.7667 9.2875 9.2875 9.4867 9.4867 9.8045 9.8045 9.8867 9.8870 12.8920 12.8954 12.9050 12.9050 12.9865 12.9865 15.0835 15.0843 k = 0.0662 0.0660 0.0658 ( 2755 PWs) bands (ev): -45.9088 -45.9088 -22.6298 -22.6298 -21.9773 -21.9773 -21.9741 -21.9741 -14.3883 -14.3883 -6.4910 -6.4910 -5.8261 -5.8261 -5.8210 -5.8210 -0.9163 -0.9163 0.9755 0.9755 1.0313 1.0313 7.8928 7.8928 8.0824 8.0824 8.1413 8.1443 8.7998 8.8038 8.8057 8.8057 9.2780 9.2780 9.5382 9.5382 9.8220 9.8220 9.9017 9.9021 12.8641 12.8673 12.8772 12.8772 12.9671 12.9671 15.0441 15.0448 k = 0.0588 0.0587 0.0585 ( 2773 PWs) bands (ev): -45.9089 -45.9089 -22.6295 -22.6295 -21.9769 -21.9769 -21.9737 -21.9737 -14.3913 -14.3913 -6.4913 -6.4913 -5.8266 -5.8266 -5.8221 -5.8221 -0.9213 -0.9213 0.9751 0.9752 1.0198 1.0198 7.9157 7.9157 8.1045 8.1045 8.1547 8.1573 8.8353 8.8387 8.8423 8.8423 9.2694 9.2694 9.5849 9.5849 9.8385 9.8385 9.9156 9.9160 12.8385 12.8414 12.8515 12.8515 12.9499 12.9499 15.0082 15.0082 k = 0.0515 0.0513 0.0512 ( 2767 PWs) bands (ev): -45.9089 -45.9089 -22.6291 -22.6291 -21.9765 -21.9765 -21.9733 -21.9733 -14.3939 -14.3939 -6.4914 -6.4914 -5.8271 -5.8271 -5.8230 -5.8230 -0.9258 -0.9258 0.9747 0.9747 1.0094 1.0094 7.9347 7.9347 8.1256 8.1256 8.1665 8.1687 8.8681 8.8711 8.8761 8.8761 9.2618 9.2618 9.6267 9.6267 9.8539 9.8539 9.9281 9.9284 12.8152 12.8178 12.8281 12.8281 12.9348 12.9348 14.9761 14.9763 k = 0.0441 0.0440 0.0439 ( 2767 PWs) bands (ev): -45.9089 -45.9089 -22.6288 -22.6288 -21.9762 -21.9762 -21.9729 -21.9729 -14.3963 -14.3963 -6.4914 -6.4914 -5.8275 -5.8275 -5.8237 -5.8237 -0.9299 -0.9299 0.9742 0.9742 1.0002 1.0002 7.9501 7.9501 8.1452 8.1452 8.1766 8.1785 8.8978 8.9003 8.9064 8.9064 9.2552 9.2552 9.6630 9.6630 9.8681 9.8681 9.9391 9.9395 12.7946 12.7968 12.8073 12.8073 12.9219 12.9219 14.9481 14.9492 k = 0.0368 0.0367 0.0366 ( 2761 PWs) bands (ev): -45.9089 -45.9089 -22.6285 -22.6285 -21.9759 -21.9759 -21.9725 -21.9725 -14.3982 -14.3982 -6.4914 -6.4914 -5.8279 -5.8279 -5.8244 -5.8243 -0.9335 -0.9335 0.9737 0.9737 0.9923 0.9923 7.9625 7.9625 8.1626 8.1626 8.1851 8.1866 8.9239 8.9260 8.9330 8.9330 9.2496 9.2496 9.6938 9.6938 9.8809 9.8809 9.9486 9.9489 12.7767 12.7786 12.7893 12.7893 12.9111 12.9111 14.9238 14.9238 k = 0.0294 0.0293 0.0293 ( 2767 PWs) bands (ev): -45.9089 -45.9089 -22.6283 -22.6283 -21.9757 -21.9757 -21.9723 -21.9723 -14.3999 -14.3999 -6.4913 -6.4913 -5.8281 -5.8281 -5.8249 -5.8249 -0.9365 -0.9365 0.9732 0.9733 0.9858 0.9858 7.9721 7.9721 8.1774 8.1774 8.1920 8.1932 8.9459 8.9476 8.9553 8.9553 9.2450 9.2450 9.7188 9.7188 9.8920 9.8920 9.9564 9.9567 12.7618 12.7634 12.7742 12.7742 12.9023 12.9023 14.9038 14.9039 k = 0.0221 0.0220 0.0219 ( 2780 PWs) bands (ev): -45.9090 -45.9090 -22.6282 -22.6282 -21.9755 -21.9755 -21.9722 -21.9722 -14.4012 -14.4012 -6.4912 -6.4912 -5.8283 -5.8283 -5.8253 -5.8253 -0.9389 -0.9389 0.9728 0.9729 0.9806 0.9806 7.9793 7.9793 8.1892 8.1892 8.1974 8.1983 8.9636 8.9648 8.9731 8.9731 9.2414 9.2414 9.7380 9.7380 9.9011 9.9011 9.9626 9.9628 12.7501 12.7513 12.7623 12.7623 12.8956 12.8956 14.8882 14.8883 k = 0.0147 0.0147 0.0146 ( 2780 PWs) bands (ev): -45.9090 -45.9090 -22.6281 -22.6281 -21.9754 -21.9754 -21.9720 -21.9720 -14.4021 -14.4021 -6.4911 -6.4911 -5.8285 -5.8285 -5.8256 -5.8255 -0.9407 -0.9407 0.9726 0.9726 0.9769 0.9769 7.9844 7.9844 8.1979 8.1979 8.2013 8.2019 8.9764 8.9772 8.9860 8.9860 9.2389 9.2389 9.7516 9.7516 9.9080 9.9080 9.9671 9.9672 12.7417 12.7425 12.7537 12.7537 12.8908 12.8908 14.8770 14.8779 k = 0.0074 0.0073 0.0073 ( 2777 PWs) bands (ev): -45.9090 -45.9090 -22.6280 -22.6280 -21.9753 -21.9753 -21.9719 -21.9719 -14.4026 -14.4026 -6.4911 -6.4911 -5.8285 -5.8285 -5.8257 -5.8257 -0.9417 -0.9417 0.9724 0.9724 0.9747 0.9747 7.9873 7.9873 8.2032 8.2032 8.2037 8.2040 8.9843 8.9847 8.9938 8.9938 9.2373 9.2373 9.7597 9.7597 9.9122 9.9122 9.9697 9.9698 12.7367 12.7371 12.7485 12.7485 12.8879 12.8879 14.8702 14.8704 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9090 -45.9090 -22.6280 -22.6280 -21.9753 -21.9753 -21.9719 -21.9719 -14.4028 -14.4028 -6.4911 -6.4911 -5.8286 -5.8286 -5.8258 -5.8258 -0.9421 -0.9421 0.9723 0.9723 0.9740 0.9740 7.9883 7.9883 8.2046 8.2046 8.2049 8.2049 8.9871 8.9871 8.9965 8.9965 9.2368 9.2368 9.7624 9.7624 9.9137 9.9137 9.9707 9.9707 12.7352 12.7352 12.7467 12.7467 12.8870 12.8870 14.8679 14.8679 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9090 -45.9090 -22.6280 -22.6280 -21.9753 -21.9753 -21.9719 -21.9719 -14.4028 -14.4028 -6.4911 -6.4911 -5.8286 -5.8286 -5.8258 -5.8258 -0.9421 -0.9421 0.9723 0.9723 0.9740 0.9740 7.9883 7.9883 8.2046 8.2046 8.2049 8.2049 8.9871 8.9871 8.9965 8.9965 9.2368 9.2368 9.7624 9.7624 9.9137 9.9137 9.9707 9.9707 12.7352 12.7352 12.7467 12.7467 12.8870 12.8870 14.8680 14.8688 k = 0.0089-0.0000-0.0089 ( 2773 PWs) bands (ev): -45.9090 -45.9090 -22.6280 -22.6280 -21.9753 -21.9753 -21.9720 -21.9719 -14.4026 -14.4026 -6.4912 -6.4909 -5.8288 -5.8283 -5.8257 -5.8257 -0.9419 -0.9415 0.9727 0.9729 0.9738 0.9748 7.9848 7.9895 8.1995 8.2024 8.2049 8.2068 8.9853 8.9854 8.9936 8.9960 9.2343 9.2360 9.7441 9.7751 9.8976 9.9265 9.9714 9.9720 12.7359 12.7363 12.7467 12.7495 12.8868 12.8890 14.8699 14.8714 k = 0.0178-0.0000-0.0179 ( 2765 PWs) bands (ev): -45.9090 -45.9090 -22.6281 -22.6279 -21.9753 -21.9753 -21.9721 -21.9719 -14.4021 -14.4021 -6.4915 -6.4909 -5.8289 -5.8280 -5.8256 -5.8256 -0.9410 -0.9403 0.9733 0.9740 0.9748 0.9771 7.9791 7.9885 8.1905 8.1979 8.2030 8.2057 8.9796 8.9801 8.9877 8.9923 9.2287 9.2320 9.7214 9.7800 9.8820 9.9335 9.9730 9.9770 12.7365 12.7396 12.7513 12.7548 12.8887 12.8928 14.8729 14.8737 k = 0.0267-0.0001-0.0268 ( 2763 PWs) bands (ev): -45.9090 -45.9090 -22.6283 -22.6280 -21.9755 -21.9754 -21.9722 -21.9719 -14.4012 -14.4012 -6.4918 -6.4909 -5.8289 -5.8276 -5.8254 -5.8253 -0.9394 -0.9383 0.9738 0.9746 0.9780 0.9808 7.9709 7.9851 8.1780 8.1910 8.1988 8.2025 8.9690 8.9706 8.9797 8.9859 9.2203 9.2252 9.6952 9.7739 9.8704 9.9344 9.9746 9.9848 12.7364 12.7439 12.7609 12.7642 12.8925 12.8985 14.8784 14.8796 k = 0.0356-0.0001-0.0357 ( 2767 PWs) bands (ev): -45.9089 -45.9089 -22.6285 -22.6281 -21.9757 -21.9757 -21.9724 -21.9721 -14.3999 -14.3999 -6.4921 -6.4910 -5.8289 -5.8271 -5.8251 -5.8249 -0.9371 -0.9357 0.9745 0.9754 0.9826 0.9861 7.9602 7.9793 8.1619 8.1811 8.1924 8.1976 8.9536 8.9563 8.9695 8.9768 9.2101 9.2164 9.6658 9.7558 9.8641 9.9314 9.9757 9.9929 12.7368 12.7483 12.7745 12.7786 12.8984 12.9059 14.8860 14.8876 k = 0.0445-0.0001-0.0446 ( 2765 PWs) bands (ev): -45.9089 -45.9089 -22.6287 -22.6283 -21.9760 -21.9759 -21.9727 -21.9723 -14.3983 -14.3982 -6.4926 -6.4911 -5.8288 -5.8265 -5.8248 -5.8244 -0.9341 -0.9325 0.9752 0.9764 0.9885 0.9926 7.9466 7.9707 8.1426 8.1681 8.1843 8.1912 8.9337 8.9374 8.9568 8.9647 9.1988 9.2065 9.6337 9.7286 9.8610 9.9260 9.9761 9.9995 12.7381 12.7529 12.7922 12.7975 12.9064 12.9151 14.8957 14.8977 k = 0.0534-0.0001-0.0536 ( 2763 PWs) bands (ev): -45.9089 -45.9089 -22.6290 -22.6285 -21.9764 -21.9762 -21.9729 -21.9725 -14.3963 -14.3963 -6.4931 -6.4913 -5.8286 -5.8257 -5.8243 -5.8237 -0.9306 -0.9286 0.9762 0.9776 0.9958 1.0004 7.9300 7.9590 8.1203 8.1519 8.1747 8.1833 8.9094 8.9140 8.9412 8.9495 9.1874 9.1962 9.5991 9.6951 9.8583 9.9189 9.9753 10.0037 12.7409 12.7583 12.8136 12.8202 12.9165 12.9261 14.9073 14.9096 k = 0.0623-0.0002-0.0625 ( 2753 PWs) bands (ev): -45.9089 -45.9089 -22.6293 -22.6287 -21.9768 -21.9765 -21.9732 -21.9727 -14.3940 -14.3939 -6.4936 -6.4916 -5.8284 -5.8248 -5.8238 -5.8228 -0.9265 -0.9242 0.9774 0.9790 1.0042 1.0093 7.9100 7.9437 8.0956 8.1328 8.1640 8.1741 8.8810 8.8864 8.9226 8.9308 9.1767 9.1863 9.5623 9.6573 9.8544 9.9102 9.9730 10.0052 12.7452 12.7648 12.8385 12.8464 12.9286 12.9392 14.9207 14.9233 k = 0.0712-0.0002-0.0714 ( 2749 PWs) bands (ev): -45.9089 -45.9089 -22.6297 -22.6290 -21.9773 -21.9769 -21.9735 -21.9729 -14.3914 -14.3913 -6.4942 -6.4919 -5.8281 -5.8238 -5.8232 -5.8216 -0.9218 -0.9193 0.9787 0.9806 1.0137 1.0193 7.8865 7.9243 8.0690 8.1110 8.1524 8.1636 8.8486 8.8550 8.9010 8.9090 9.1673 9.1773 9.5235 9.6163 9.8489 9.9001 9.9691 10.0036 12.7516 12.7728 12.8664 12.8758 12.9430 12.9543 14.9356 14.9386 k = 0.0801-0.0002-0.0804 ( 2751 PWs) bands (ev): -45.9088 -45.9088 -22.6301 -22.6294 -21.9779 -21.9775 -21.9738 -21.9732 -14.3885 -14.3883 -6.4948 -6.4922 -5.8277 -5.8228 -5.8223 -5.8201 -0.9167 -0.9140 0.9802 0.9823 1.0243 1.0303 7.8591 7.9001 8.0410 8.0865 8.1399 8.1520 8.8127 8.8203 8.8766 8.8841 9.1593 9.1694 9.4829 9.5725 9.8416 9.8886 9.9633 9.9992 12.7600 12.7826 12.8970 12.9079 12.9595 12.9719 14.9520 14.9553 k = 0.0890-0.0002-0.0893 ( 2755 PWs) bands (ev): -45.9088 -45.9088 -22.6306 -22.6298 -21.9787 -21.9781 -21.9741 -21.9735 -14.3852 -14.3851 -6.4954 -6.4926 -5.8273 -5.8220 -5.8207 -5.8184 -0.9112 -0.9083 0.9819 0.9843 1.0357 1.0420 7.8280 7.8709 8.0119 8.0594 8.1270 8.1395 8.7735 8.7826 8.8497 8.8568 9.1528 9.1628 9.4409 9.5266 9.8325 9.8759 9.9556 9.9921 12.7707 12.7944 12.9297 12.9422 12.9785 12.9922 14.9696 14.9733 k = 0.0979-0.0003-0.0982 ( 2753 PWs) bands (ev): -45.9088 -45.9088 -22.6311 -22.6302 -21.9795 -21.9788 -21.9744 -21.9738 -14.3817 -14.3815 -6.4961 -6.4930 -5.8268 -5.8212 -5.8189 -5.8163 -0.9054 -0.9022 0.9838 0.9864 1.0479 1.0545 7.7930 7.8366 7.9819 8.0298 8.1136 8.1262 8.7317 8.7424 8.8205 8.8273 9.1476 9.1571 9.3978 9.4789 9.8218 9.8620 9.9460 9.9824 12.7838 12.8083 12.9636 12.9778 13.0007 13.0157 14.9883 14.9923 k = 0.1069-0.0003-0.1071 ( 2755 PWs) bands (ev): -45.9087 -45.9087 -22.6316 -22.6307 -21.9804 -21.9796 -21.9748 -21.9741 -14.3779 -14.3777 -6.4967 -6.4934 -5.8262 -5.8204 -5.8167 -5.8139 -0.8993 -0.8959 0.9858 0.9886 1.0608 1.0675 7.7545 7.7975 7.9507 7.9977 8.1001 8.1125 8.6877 8.7001 8.7895 8.7962 9.1434 9.1520 9.3542 9.4299 9.8095 9.8471 9.9346 9.9704 12.7994 12.8245 12.9978 13.0114 13.0287 13.0435 15.0079 15.0121 k = 0.1158-0.0003-0.1161 ( 2753 PWs) bands (ev): -45.9087 -45.9087 -22.6322 -22.6312 -21.9813 -21.9804 -21.9751 -21.9744 -14.3738 -14.3736 -6.4973 -6.4937 -5.8256 -5.8195 -5.8141 -5.8111 -0.8931 -0.8894 0.9879 0.9910 1.0741 1.0808 7.7126 7.7541 7.9179 7.9630 8.0864 8.0984 8.6420 8.6561 8.7569 8.7637 9.1396 9.1468 9.3109 9.3804 9.7959 9.8313 9.9217 9.9565 12.8175 12.8431 13.0310 13.0404 13.0650 13.0764 15.0282 15.0327 k = 0.1247-0.0003-0.1250 ( 2753 PWs) bands (ev): -45.9087 -45.9087 -22.6328 -22.6318 -21.9824 -21.9813 -21.9755 -21.9747 -14.3695 -14.3693 -6.4978 -6.4940 -5.8250 -5.8186 -5.8112 -5.8080 -0.8867 -0.8828 0.9902 0.9936 1.0877 1.0945 7.6677 7.7073 7.8832 7.9257 8.0726 8.0842 8.5949 8.6108 8.7232 8.7301 9.1352 9.1399 9.2697 9.3313 9.7811 9.8146 9.9075 9.9412 12.8380 12.8640 13.0632 13.0683 13.1056 13.1144 15.0490 15.0538 k = 0.1336-0.0004-0.1339 ( 2752 PWs) bands (ev): -45.9086 -45.9086 -22.6334 -22.6323 -21.9835 -21.9823 -21.9759 -21.9750 -14.3649 -14.3648 -6.4981 -6.4942 -5.8242 -5.8176 -5.8079 -5.8044 -0.8803 -0.8761 0.9927 0.9963 1.1014 1.1081 7.6202 7.6576 7.8463 7.8859 8.0588 8.0698 8.5469 8.5643 8.6887 8.6956 9.1265 9.1299 9.2342 9.2847 9.7651 9.7971 9.8923 9.9249 12.8610 12.8872 13.0951 13.0974 13.1481 13.1561 15.0703 15.0752 k = 0.1425-0.0004-0.1429 ( 2750 PWs) bands (ev): -45.9086 -45.9086 -22.6341 -22.6329 -21.9846 -21.9833 -21.9762 -21.9754 -14.3602 -14.3601 -6.4984 -6.4942 -5.8235 -5.8166 -5.8042 -5.8005 -0.8740 -0.8693 0.9952 0.9991 1.1151 1.1218 7.5706 7.6056 7.8071 7.8436 8.0447 8.0554 8.4981 8.5168 8.6536 8.6604 9.1046 9.1173 9.2096 9.2444 9.7479 9.7787 9.8767 9.9083 12.8863 12.9128 13.1273 13.1282 13.1920 13.2002 15.0917 15.0969 k = 0.1514-0.0004-0.1518 ( 2752 PWs) bands (ev): -45.9085 -45.9085 -22.6348 -22.6336 -21.9858 -21.9844 -21.9766 -21.9757 -14.3553 -14.3551 -6.4984 -6.4941 -5.8226 -5.8155 -5.8001 -5.7962 -0.8677 -0.8626 0.9978 1.0021 1.1285 1.1352 7.5192 7.5519 7.7655 7.7990 8.0305 8.0410 8.4487 8.4684 8.6183 8.6248 9.0709 9.0941 9.1971 9.2160 9.7295 9.7593 9.8613 9.8919 12.9139 12.9405 13.1598 13.1611 13.2373 13.2458 15.1132 15.1187 k = 0.1603-0.0004-0.1607 ( 2740 PWs) bands (ev): -45.9085 -45.9085 -22.6355 -22.6342 -21.9870 -21.9855 -21.9770 -21.9760 -14.3502 -14.3501 -6.4982 -6.4937 -5.8218 -5.8144 -5.7957 -5.7916 -0.8616 -0.8560 1.0005 1.0052 1.1415 1.1483 7.4666 7.4969 7.7216 7.7522 8.0160 8.0266 8.3989 8.4192 8.5828 8.5890 9.0303 9.0584 9.1927 9.2016 9.7098 9.7386 9.8468 9.8764 12.9436 12.9703 13.1934 13.1955 13.2835 13.2925 15.1346 15.1403 k = 0.1692-0.0005-0.1696 ( 2742 PWs) bands (ev): -45.9084 -45.9084 -22.6363 -22.6349 -21.9883 -21.9868 -21.9774 -21.9764 -14.3450 -14.3449 -6.4977 -6.4930 -5.8208 -5.8133 -5.7909 -5.7867 -0.8557 -0.8495 1.0032 1.0083 1.1538 1.1609 7.4130 7.4412 7.6756 7.7035 8.0011 8.0120 8.3485 8.3691 8.5475 8.5529 8.9870 9.0148 9.1923 9.1969 9.6886 9.7162 9.8338 9.8623 12.9754 13.0021 13.2283 13.2311 13.3305 13.3399 15.1559 15.1618 k = 0.1781-0.0005-0.1786 ( 2740 PWs) bands (ev): -45.9084 -45.9084 -22.6370 -22.6357 -21.9897 -21.9880 -21.9778 -21.9767 -14.3397 -14.3395 -6.4968 -6.4920 -5.8198 -5.8121 -5.7859 -5.7814 -0.8501 -0.8432 1.0059 1.0115 1.1653 1.1728 7.3588 7.3850 7.6277 7.6531 7.9857 7.9974 8.2975 8.3180 8.5124 8.5169 8.9434 8.9685 9.1941 9.1978 9.6660 9.6921 9.8229 9.8501 13.0091 13.0358 13.2643 13.2677 13.3781 13.3878 15.1768 15.1830 k = 0.1870-0.0005-0.1875 ( 2742 PWs) bands (ev): -45.9083 -45.9083 -22.6378 -22.6364 -21.9910 -21.9893 -21.9782 -21.9771 -14.3343 -14.3341 -6.4955 -6.4906 -5.8188 -5.8109 -5.7805 -5.7759 -0.8447 -0.8372 1.0086 1.0148 1.1758 1.1841 7.3043 7.3287 7.5782 7.6012 7.9697 7.9826 8.2459 8.2658 8.4775 8.4811 8.9008 8.9221 9.1975 9.2013 9.6417 9.6661 9.8145 9.8402 13.0446 13.0713 13.3013 13.3053 13.4261 13.4361 15.1974 15.2037 k = 0.1959-0.0005-0.1964 ( 2742 PWs) bands (ev): -45.9083 -45.9083 -22.6386 -22.6372 -21.9924 -21.9906 -21.9786 -21.9775 -14.3288 -14.3286 -6.4938 -6.4888 -5.8178 -5.8097 -5.7750 -5.7702 -0.8397 -0.8315 1.0112 1.0180 1.1852 1.1946 7.2499 7.2726 7.5274 7.5481 7.9530 7.9677 8.1936 8.2126 8.4430 8.4454 8.8602 8.8776 9.2022 9.2064 9.6161 9.6384 9.8088 9.8327 13.0817 13.1083 13.3391 13.3436 13.4744 13.4846 15.2174 15.2240 k = 0.2048-0.0006-0.2054 ( 2744 PWs) bands (ev): -45.9082 -45.9082 -22.6395 -22.6380 -21.9938 -21.9920 -21.9790 -21.9779 -14.3232 -14.3230 -6.4916 -6.4864 -5.8167 -5.8084 -5.7692 -5.7643 -0.8350 -0.8261 1.0138 1.0213 1.1934 1.2041 7.1958 7.2169 7.4754 7.4941 7.9353 7.9525 8.1406 8.1582 8.4087 8.4101 8.8225 8.8361 9.2079 9.2125 9.5890 9.6092 9.8058 9.8278 13.1202 13.1467 13.3776 13.3825 13.5228 13.5332 15.2368 15.2436 k = 0.2137-0.0006-0.2143 ( 2740 PWs) bands (ev): -45.9082 -45.9082 -22.6403 -22.6388 -21.9952 -21.9933 -21.9794 -21.9782 -14.3176 -14.3174 -6.4887 -6.4835 -5.8155 -5.8071 -5.7634 -5.7583 -0.8308 -0.8210 1.0162 1.0245 1.2004 1.2125 7.1422 7.1619 7.4226 7.4394 7.9161 7.9372 8.0868 8.1030 8.3747 8.3750 8.7883 8.7985 9.2144 9.2192 9.5608 9.5788 9.8055 9.8256 13.1600 13.1865 13.4165 13.4218 13.5713 13.5818 15.2556 15.2625 k = 0.2226-0.0006-0.2232 ( 2740 PWs) bands (ev): -45.9081 -45.9081 -22.6411 -22.6396 -21.9967 -21.9947 -21.9798 -21.9786 -14.3120 -14.3118 -6.4853 -6.4799 -5.8143 -5.8058 -5.7575 -5.7523 -0.8270 -0.8164 1.0184 1.0276 1.2061 1.2200 7.0893 7.1077 7.3692 7.3843 7.8947 7.9216 8.0320 8.0478 8.3401 8.3408 8.7584 8.7657 9.2214 9.2266 9.5317 9.5475 9.8077 9.8259 13.2010 13.2274 13.4558 13.4615 13.6197 13.6303 15.2736 15.2807 k = 0.2315-0.0006-0.2321 ( 2738 PWs) bands (ev): -45.9080 -45.9080 -22.6420 -22.6404 -21.9981 -21.9961 -21.9802 -21.9790 -14.3064 -14.3062 -6.4812 -6.4758 -5.8131 -5.8045 -5.7516 -5.7463 -0.8236 -0.8121 1.0204 1.0305 1.2104 1.2262 7.0373 7.0545 7.3154 7.3290 7.8698 7.9058 7.9757 7.9949 8.3056 8.3069 8.7331 8.7382 9.2288 9.2343 9.5019 9.5156 9.8124 9.8286 13.2430 13.2692 13.4952 13.5013 13.6679 13.6786 15.2908 15.2981 k = 0.2404-0.0007-0.2411 ( 2736 PWs) bands (ev): -45.9080 -45.9080 -22.6428 -22.6412 -21.9996 -21.9975 -21.9806 -21.9794 -14.3008 -14.3006 -6.4764 -6.4709 -5.8119 -5.8032 -5.7458 -5.7404 -0.8207 -0.8084 1.0220 1.0333 1.2136 1.2314 6.9863 7.0023 7.2615 7.2736 7.8386 7.8895 7.9176 7.9475 8.2712 8.2729 8.7128 8.7164 9.2365 9.2424 9.4716 9.4835 9.8192 9.8337 13.2858 13.3119 13.5346 13.5410 13.7158 13.7265 15.3071 15.3146 k = 0.2493-0.0007-0.2500 ( 2742 PWs) bands (ev): -45.9079 -45.9079 -22.6437 -22.6421 -22.0010 -21.9990 -21.9810 -21.9798 -14.2953 -14.2951 -6.4709 -6.4653 -5.8106 -5.8018 -5.7401 -5.7346 -0.8182 -0.8051 1.0232 1.0357 1.2155 1.2355 6.9363 6.9514 7.2077 7.2185 7.7987 7.8545 7.8758 7.9087 8.2370 8.2389 8.6979 8.7005 9.2442 9.2506 9.4412 9.4515 9.8282 9.8409 13.3293 13.3552 13.5738 13.5806 13.7634 13.7741 15.3225 15.3302 k = 0.2582-0.0007-0.2589 ( 2738 PWs) bands (ev): -45.9079 -45.9079 -22.6445 -22.6429 -22.0025 -22.0004 -21.9813 -21.9801 -14.2898 -14.2896 -6.4646 -6.4589 -5.8093 -5.8005 -5.7347 -5.7291 -0.8162 -0.8023 1.0240 1.0377 1.2164 1.2386 6.8875 6.9017 7.1542 7.1638 7.7501 7.7933 7.8588 7.8782 8.2030 8.2049 8.6883 8.6903 9.2518 9.2588 9.4109 9.4200 9.8391 9.8502 13.3733 13.3991 13.6127 13.6198 13.8105 13.8211 15.3370 15.3448 k = 0.2671-0.0007-0.2679 ( 2738 PWs) bands (ev): -45.9078 -45.9078 -22.6453 -22.6438 -22.0039 -22.0019 -21.9817 -21.9805 -14.2844 -14.2843 -6.4575 -6.4517 -5.8081 -5.7991 -5.7295 -5.7239 -0.8146 -0.8000 1.0242 1.0391 1.2163 1.2407 6.8400 6.8533 7.1012 7.1097 7.6955 7.7305 7.8423 7.8536 8.1694 8.1710 8.6840 8.6856 9.2589 9.2667 9.3811 9.3898 9.8518 9.8614 13.4177 13.4432 13.6512 13.6586 13.8570 13.8676 15.3505 15.3584 k = 0.2760-0.0008-0.2768 ( 2734 PWs) bands (ev): -45.9078 -45.9078 -22.6462 -22.6446 -22.0053 -22.0033 -21.9821 -21.9809 -14.2791 -14.2790 -6.4495 -6.4438 -5.8068 -5.7978 -5.7247 -5.7190 -0.8136 -0.7982 1.0238 1.0400 1.2155 1.2421 6.7938 6.8064 7.0488 7.0564 7.6376 7.6671 7.8254 7.8328 8.1361 8.1374 8.6846 8.6861 9.2646 9.2738 9.3524 9.3623 9.8660 9.8742 13.4623 13.4876 13.6891 13.6967 13.9029 13.9133 15.3629 15.3711 k = 0.2849-0.0008-0.2857 ( 2726 PWs) bands (ev): -45.9077 -45.9077 -22.6469 -22.6454 -22.0067 -22.0046 -21.9824 -21.9812 -14.2739 -14.2738 -6.4408 -6.4350 -5.8054 -5.7965 -5.7204 -5.7145 -0.8129 -0.7969 1.0227 1.0401 1.2142 1.2428 6.7489 6.7608 6.9973 7.0040 7.5780 7.6034 7.8078 7.8148 8.1034 8.1041 8.6897 8.6915 9.2661 9.2784 9.3267 9.3405 9.8817 9.8886 13.5069 13.5321 13.7264 13.7342 13.9480 13.9583 15.3744 15.3827 k = 0.2938-0.0008-0.2946 ( 2726 PWs) bands (ev): -45.9076 -45.9076 -22.6477 -22.6462 -22.0081 -22.0060 -21.9828 -21.9816 -14.2688 -14.2687 -6.4312 -6.4254 -5.8041 -5.7952 -5.7165 -5.7106 -0.8127 -0.7961 1.0208 1.0392 1.2126 1.2429 6.7055 6.7167 6.9468 6.9527 7.5177 7.5400 7.7901 7.7984 8.0712 8.0715 8.6988 8.7012 9.2588 9.2746 9.3106 9.3289 9.8986 9.9042 13.5515 13.5764 13.7628 13.7709 13.9923 14.0024 15.3849 15.3932 k = 0.3027-0.0008-0.3036 ( 2728 PWs) bands (ev): -45.9076 -45.9076 -22.6485 -22.6470 -22.0094 -22.0074 -21.9831 -21.9820 -14.2639 -14.2638 -6.4208 -6.4150 -5.8029 -5.7939 -5.7131 -5.7072 -0.8130 -0.7958 1.0180 1.0373 1.2109 1.2427 6.6635 6.6740 6.8975 6.9026 7.4573 7.4770 7.7730 7.7828 8.0395 8.0397 8.7112 8.7145 9.2422 9.2571 9.3099 9.3282 9.9164 9.9210 13.5958 13.6204 13.7983 13.8066 14.0356 14.0455 15.3943 15.4028 k = 0.3116-0.0009-0.3125 ( 2728 PWs) bands (ev): -45.9075 -45.9075 -22.6493 -22.6478 -22.0107 -22.0087 -21.9835 -21.9823 -14.2592 -14.2590 -6.4096 -6.4038 -5.8016 -5.7926 -5.7104 -5.7044 -0.8136 -0.7960 1.0143 1.0343 1.2094 1.2423 6.6229 6.6329 6.8495 6.8538 7.3974 7.4149 7.7566 7.7677 8.0082 8.0091 8.7262 8.7305 9.2215 9.2356 9.3157 9.3334 9.9351 9.9387 13.6397 13.6640 13.8328 13.8413 14.0779 14.0875 15.4027 15.4112 k = 0.3206-0.0009-0.3214 ( 2730 PWs) bands (ev): -45.9075 -45.9075 -22.6501 -22.6486 -22.0120 -22.0101 -21.9838 -21.9827 -14.2545 -14.2544 -6.3977 -6.3918 -5.8003 -5.7914 -5.7084 -5.7023 -0.8146 -0.7966 1.0098 1.0302 1.2082 1.2419 6.5839 6.5932 6.8030 6.8066 7.3382 7.3538 7.7409 7.7531 7.9779 7.9793 8.7429 8.7482 9.2009 9.2154 9.3233 9.3411 9.9545 9.9572 13.6831 13.7071 13.8662 13.8749 14.1189 14.1283 15.4101 15.4187 k = 0.3295-0.0009-0.3304 ( 2732 PWs) bands (ev): -45.9074 -45.9074 -22.6508 -22.6494 -22.0133 -22.0114 -21.9841 -21.9830 -14.2501 -14.2500 -6.3850 -6.3791 -5.7991 -5.7902 -5.7070 -5.7009 -0.8159 -0.7977 1.0044 1.0248 1.2076 1.2414 6.5463 6.5550 6.7581 6.7611 7.2802 7.2940 7.7260 7.7389 7.9486 7.9505 8.7602 8.7665 9.1826 9.1981 9.3315 9.3499 9.9742 9.9763 13.7258 13.7494 13.8985 13.9073 14.1587 14.1678 15.4165 15.4251 k = 0.3384-0.0009-0.3393 ( 2730 PWs) bands (ev): -45.9074 -45.9074 -22.6515 -22.6501 -22.0145 -22.0126 -21.9844 -21.9834 -14.2459 -14.2458 -6.3715 -6.3657 -5.7979 -5.7890 -5.7064 -5.7003 -0.8175 -0.7992 0.9981 1.0183 1.2074 1.2411 6.5103 6.5184 6.7151 6.7174 7.2235 7.2358 7.7119 7.7253 7.9203 7.9227 8.7768 8.7841 9.1681 9.1852 9.3400 9.3593 9.9942 9.9958 13.7676 13.7909 13.9295 13.9385 14.1972 14.2058 15.4220 15.4306 k = 0.3473-0.0010-0.3482 ( 2728 PWs) bands (ev): -45.9073 -45.9073 -22.6522 -22.6508 -22.0156 -22.0138 -21.9847 -21.9837 -14.2418 -14.2417 -6.3575 -6.3517 -5.7967 -5.7879 -5.7066 -5.7004 -0.8194 -0.8011 0.9911 1.0108 1.2079 1.2410 6.4758 6.4833 6.6740 6.6756 7.1685 7.1794 7.6986 7.7123 7.8932 7.8960 8.7913 8.7994 9.1588 9.1776 9.3486 9.3691 10.0141 10.0157 13.8084 13.8313 13.9591 13.9683 14.2341 14.2424 15.4265 15.4351 k = 0.3562-0.0010-0.3571 ( 2720 PWs) bands (ev): -45.9073 -45.9073 -22.6528 -22.6515 -22.0167 -22.0149 -21.9849 -21.9840 -14.2380 -14.2379 -6.3428 -6.3371 -5.7956 -5.7868 -5.7075 -5.7013 -0.8214 -0.8033 0.9835 1.0025 1.2089 1.2411 6.4428 6.4497 6.6349 6.6359 7.1154 7.1251 7.6861 7.6999 7.8672 7.8704 8.8024 8.8110 9.1557 9.1763 9.3571 9.3791 10.0339 10.0357 13.8481 13.8706 13.9874 13.9968 14.2694 14.2773 15.4302 15.4387 k = 0.3651-0.0010-0.3661 ( 2720 PWs) bands (ev): -45.9072 -45.9072 -22.6534 -22.6522 -22.0177 -22.0161 -21.9852 -21.9842 -14.2343 -14.2342 -6.3277 -6.3221 -5.7945 -5.7857 -5.7093 -5.7030 -0.8237 -0.8058 0.9754 0.9936 1.2105 1.2414 6.4114 6.4177 6.5980 6.5985 7.0644 7.0728 7.6745 7.6881 7.8423 7.8459 8.8093 8.8179 9.1596 9.1818 9.3657 9.3893 10.0535 10.0555 13.8865 13.9085 14.0143 14.0238 14.3031 14.3106 15.4330 15.4414 k = 0.3740-0.0010-0.3750 ( 2722 PWs) bands (ev): -45.9072 -45.9072 -22.6540 -22.6528 -22.0187 -22.0171 -21.9854 -21.9845 -14.2309 -14.2308 -6.3122 -6.3066 -5.7935 -5.7847 -5.7118 -5.7055 -0.8260 -0.8085 0.9670 0.9841 1.2125 1.2419 6.3816 6.3873 6.5630 6.5637 7.0156 7.0230 7.6638 7.6770 7.8187 7.8226 8.8116 8.8198 9.1701 9.1938 9.3743 9.3996 10.0726 10.0750 13.9234 13.9450 14.0396 14.0494 14.3349 14.3420 15.4351 15.4433 k = 0.3829-0.0010-0.3839 ( 2728 PWs) bands (ev): -45.9072 -45.9072 -22.6546 -22.6535 -22.0197 -22.0182 -21.9856 -21.9848 -14.2277 -14.2276 -6.2963 -6.2909 -5.7926 -5.7838 -5.7151 -5.7087 -0.8285 -0.8115 0.9584 0.9744 1.2148 1.2425 6.3534 6.3585 6.5303 6.5315 6.9693 6.9757 7.6540 7.6667 7.7963 7.8005 8.8097 8.8172 9.1862 9.2115 9.3829 9.4102 10.0913 10.0940 13.9587 13.9798 14.0634 14.0734 14.3649 14.3715 15.4364 15.4445 k = 0.3918-0.0011-0.3929 ( 2730 PWs) bands (ev): -45.9071 -45.9071 -22.6551 -22.6541 -22.0206 -22.0192 -21.9858 -21.9851 -14.2247 -14.2246 -6.2803 -6.2750 -5.7917 -5.7829 -5.7191 -5.7126 -0.8309 -0.8146 0.9497 0.9647 1.2174 1.2433 6.3268 6.3313 6.5001 6.5018 6.9256 6.9311 7.6451 7.6572 7.7752 7.7796 8.8046 8.8111 9.2065 9.2333 9.3916 9.4209 10.1093 10.1123 13.9923 14.0128 14.0856 14.0959 14.3930 14.3991 15.4372 15.4449 k = 0.4007-0.0011-0.4018 ( 2732 PWs) bands (ev): -45.9071 -45.9071 -22.6556 -22.6546 -22.0214 -22.0201 -21.9860 -21.9853 -14.2219 -14.2219 -6.2643 -6.2591 -5.7909 -5.7820 -5.7238 -5.7172 -0.8333 -0.8178 0.9412 0.9551 1.2201 1.2441 6.3019 6.3058 6.4724 6.4746 6.8847 6.8893 7.6372 7.6486 7.7554 7.7600 8.7971 8.8026 9.2293 9.2577 9.4006 9.4320 10.1266 10.1296 14.0239 14.0440 14.1062 14.1168 14.4190 14.4246 15.4374 15.4448 k = 0.4096-0.0011-0.4107 ( 2732 PWs) bands (ev): -45.9071 -45.9071 -22.6560 -22.6551 -22.0221 -22.0209 -21.9862 -21.9855 -14.2194 -14.2193 -6.2483 -6.2434 -5.7902 -5.7813 -5.7290 -5.7223 -0.8356 -0.8210 0.9330 0.9457 1.2230 1.2450 6.2787 6.2820 6.4474 6.4500 6.8467 6.8505 7.6302 7.6410 7.7368 7.7416 8.7883 8.7928 9.2529 9.2828 9.4103 9.4435 10.1429 10.1461 14.0535 14.0730 14.1250 14.1360 14.4429 14.4481 15.4371 15.4442 k = 0.4185-0.0011-0.4196 ( 2730 PWs) bands (ev): -45.9070 -45.9070 -22.6564 -22.6556 -22.0228 -22.0217 -21.9863 -21.9857 -14.2171 -14.2170 -6.2327 -6.2279 -5.7897 -5.7806 -5.7347 -5.7278 -0.8378 -0.8242 0.9253 0.9367 1.2258 1.2458 6.2572 6.2601 6.4250 6.4279 6.8117 6.8148 7.6243 7.6343 7.7196 7.7244 8.7787 8.7824 9.2762 9.3071 9.4209 9.4553 10.1581 10.1613 14.0808 14.0999 14.1422 14.1536 14.4647 14.4694 15.4365 15.4432 k = 0.4274-0.0012-0.4286 ( 2728 PWs) bands (ev): -45.9070 -45.9070 -22.6567 -22.6560 -22.0234 -22.0224 -21.9865 -21.9859 -14.2150 -14.2150 -6.2175 -6.2131 -5.7892 -5.7800 -5.7407 -5.7335 -0.8398 -0.8274 0.9180 0.9283 1.2287 1.2466 6.2377 6.2402 6.4053 6.4083 6.7799 6.7824 7.6195 7.6286 7.7036 7.7084 8.7691 8.7721 9.2980 9.3291 9.4329 9.4675 10.1722 10.1753 14.1058 14.1244 14.1576 14.1695 14.4844 14.4885 15.4357 15.4418 k = 0.4363-0.0012-0.4375 ( 2730 PWs) bands (ev): -45.9070 -45.9070 -22.6570 -22.6564 -22.0239 -22.0230 -21.9866 -21.9861 -14.2132 -14.2131 -6.2031 -6.1990 -5.7889 -5.7795 -5.7468 -5.7393 -0.8416 -0.8305 0.9115 0.9206 1.2315 1.2472 6.2201 6.2222 6.3881 6.3912 6.7513 6.7534 7.6157 7.6240 7.6889 7.6937 8.7599 8.7623 9.3176 9.3474 9.4467 9.4799 10.1850 10.1879 14.1282 14.1465 14.1713 14.1838 14.5018 14.5054 15.4347 15.4402 k = 0.4452-0.0012-0.4464 ( 2724 PWs) bands (ev): -45.9070 -45.9070 -22.6573 -22.6567 -22.0243 -22.0235 -21.9867 -21.9862 -14.2116 -14.2115 -6.1896 -6.1859 -5.7887 -5.7792 -5.7528 -5.7451 -0.8431 -0.8333 0.9057 0.9136 1.2341 1.2477 6.2045 6.2063 6.3735 6.3765 6.7262 6.7278 7.6130 7.6205 7.6755 7.6803 8.7514 8.7532 9.3347 9.3617 9.4619 9.4921 10.1964 10.1991 14.1480 14.1659 14.1833 14.1963 14.5170 14.5201 15.4336 15.4386 k = 0.4541-0.0012-0.4554 ( 2724 PWs) bands (ev): -45.9069 -45.9069 -22.6575 -22.6570 -22.0247 -22.0240 -21.9867 -21.9864 -14.2102 -14.2102 -6.1774 -6.1741 -5.7886 -5.7792 -5.7583 -5.7505 -0.8444 -0.8360 0.9007 0.9074 1.2366 1.2480 6.1911 6.1926 6.3613 6.3641 6.7047 6.7058 7.6114 7.6182 7.6635 7.6681 8.7438 8.7452 9.3490 9.3722 9.4777 9.5036 10.2063 10.2087 14.1651 14.1823 14.1938 14.2069 14.5299 14.5326 15.4326 15.4368 k = 0.4630-0.0013-0.4643 ( 2728 PWs) bands (ev): -45.9069 -45.9069 -22.6577 -22.6573 -22.0250 -22.0245 -21.9868 -21.9865 -14.2091 -14.2091 -6.1667 -6.1639 -5.7887 -5.7796 -5.7630 -5.7553 -0.8453 -0.8384 0.8967 0.9020 1.2389 1.2481 6.1800 6.1812 6.3516 6.3540 6.6867 6.6876 7.6109 7.6170 7.6527 7.6572 8.7374 8.7384 9.3607 9.3794 9.4928 9.5139 10.2146 10.2166 14.1794 14.1950 14.2032 14.2157 14.5406 14.5427 15.4317 15.4352 k = 0.4719-0.0013-0.4732 ( 2728 PWs) bands (ev): -45.9069 -45.9069 -22.6578 -22.6575 -22.0252 -22.0248 -21.9868 -21.9866 -14.2082 -14.2082 -6.1577 -6.1555 -5.7887 -5.7807 -5.7662 -5.7594 -0.8458 -0.8405 0.8936 0.8977 1.2410 1.2480 6.1712 6.1721 6.3441 6.3460 6.6725 6.6731 7.6116 7.6171 7.6432 7.6476 8.7322 8.7330 9.3700 9.3840 9.5063 9.5222 10.2213 10.2229 14.1909 14.2034 14.2124 14.2226 14.5491 14.5507 15.4310 15.4337 k = 0.4808-0.0013-0.4821 ( 2728 PWs) bands (ev): -45.9069 -45.9069 -22.6579 -22.6577 -22.0254 -22.0251 -21.9869 -21.9867 -14.2076 -14.2076 -6.1509 -6.1493 -5.7885 -5.7826 -5.7679 -5.7628 -0.8460 -0.8424 0.8915 0.8943 1.2428 1.2476 6.1648 6.1654 6.3388 6.3402 6.6622 6.6625 7.6134 7.6185 7.6349 7.6393 8.7284 8.7289 9.3771 9.3866 9.5173 9.5281 10.2262 10.2274 14.1997 14.2082 14.2203 14.2273 14.5553 14.5564 15.4305 15.4324 k = 0.4897-0.0013-0.4911 ( 2720 PWs) bands (ev): -45.9069 -45.9069 -22.6579 -22.6578 -22.0254 -22.0252 -21.9868 -21.9867 -14.2072 -14.2072 -6.1464 -6.1455 -5.7879 -5.7847 -5.7681 -5.7653 -0.8458 -0.8438 0.8904 0.8919 1.2444 1.2469 6.1609 6.1612 6.3357 6.3365 6.6557 6.6559 7.6165 7.6211 7.6280 7.6323 8.7261 8.7263 9.3823 9.3873 9.5253 9.5310 10.2295 10.2301 14.2058 14.2102 14.2261 14.2298 14.5592 14.5598 15.4304 15.4314 k = 0.4986-0.0014-0.5000 ( 2714 PWs) bands (ev): -45.9069 -45.9069 -22.6578 -22.6578 -22.0253 -22.0253 -21.9868 -21.9868 -14.2070 -14.2070 -6.1443 -6.1442 -5.7869 -5.7864 -5.7674 -5.7670 -0.8452 -0.8449 0.8904 0.8906 1.2457 1.2460 6.1594 6.1594 6.3347 6.3348 6.6532 6.6532 7.6207 7.6222 7.6251 7.6266 8.7252 8.7252 9.3856 9.3862 9.5300 9.5307 10.2309 10.2310 14.2093 14.2099 14.2293 14.2298 14.5609 14.5610 15.4306 15.4308 k = 0.5014 0.4973-0.0027 ( 2714 PWs) bands (ev): -45.9069 -45.9069 -22.6578 -22.6578 -22.0253 -22.0253 -21.9868 -21.9868 -14.2070 -14.2070 -6.1443 -6.1442 -5.7869 -5.7864 -5.7674 -5.7670 -0.8452 -0.8449 0.8904 0.8906 1.2457 1.2460 6.1594 6.1594 6.3347 6.3348 6.6532 6.6532 7.6207 7.6222 7.6251 7.6266 8.7252 8.7252 9.3856 9.3862 9.5300 9.5307 10.2309 10.2310 14.2093 14.2099 14.2293 14.2298 14.5609 14.5610 15.4306 15.4308 k = 0.5000 0.4986-0.0027 ( 2716 PWs) bands (ev): -45.9069 -45.9069 -22.6578 -22.6578 -22.0253 -22.0253 -21.9868 -21.9868 -14.2070 -14.2070 -6.1442 -6.1442 -5.7867 -5.7867 -5.7672 -5.7672 -0.8450 -0.8450 0.8905 0.8905 1.2458 1.2458 6.1594 6.1594 6.3347 6.3347 6.6532 6.6532 7.6214 7.6214 7.6259 7.6259 8.7252 8.7252 9.3859 9.3859 9.5304 9.5304 10.2310 10.2310 14.2096 14.2096 14.2296 14.2296 14.5610 14.5610 15.4307 15.4307 k = 0.5000 0.4986-0.0027 ( 2716 PWs) bands (ev): -45.9069 -45.9069 -22.6578 -22.6578 -22.0253 -22.0253 -21.9868 -21.9868 -14.2070 -14.2070 -6.1442 -6.1442 -5.7867 -5.7867 -5.7672 -5.7672 -0.8450 -0.8450 0.8905 0.8905 1.2458 1.2458 6.1594 6.1594 6.3347 6.3347 6.6532 6.6532 7.6214 7.6214 7.6259 7.6259 8.7252 8.7252 9.3859 9.3859 9.5304 9.5304 10.2310 10.2310 14.2096 14.2096 14.2296 14.2296 14.5610 14.5610 15.4307 15.4307 k = 0.5000 0.4987 0.0097 ( 2716 PWs) bands (ev): -45.9069 -45.9069 -22.6579 -22.6578 -22.0253 -22.0253 -21.9869 -21.9868 -14.2069 -14.2069 -6.1435 -6.1434 -5.7866 -5.7862 -5.7670 -5.7670 -0.8475 -0.8446 0.8893 0.8893 1.2419 1.2457 6.1590 6.1599 6.3375 6.3376 6.6532 6.6532 7.6216 7.6222 7.6270 7.6270 8.7206 8.7210 9.3871 9.3871 9.5309 9.5312 10.2311 10.2311 14.2093 14.2108 14.2300 14.2302 14.5613 14.5614 15.4353 15.4365 k = 0.5001 0.4987 0.0221 ( 2722 PWs) bands (ev): -45.9069 -45.9069 -22.6580 -22.6579 -22.0254 -22.0253 -21.9871 -21.9870 -14.2066 -14.2066 -6.1413 -6.1410 -5.7859 -5.7853 -5.7663 -5.7663 -0.8521 -0.8464 0.8857 0.8857 1.2338 1.2413 6.1590 6.1607 6.3458 6.3460 6.6531 6.6532 7.6228 7.6239 7.6304 7.6305 8.7073 8.7082 9.3905 9.3907 9.5328 9.5334 10.2314 10.2314 14.2097 14.2128 14.2313 14.2319 14.5624 14.5625 15.4501 15.4525 k = 0.5001 0.4987 0.0346 ( 2722 PWs) bands (ev): -45.9069 -45.9069 -22.6581 -22.6579 -22.0253 -22.0253 -21.9875 -21.9872 -14.2061 -14.2061 -6.1375 -6.1372 -5.7847 -5.7838 -5.7652 -5.7652 -0.8586 -0.8501 0.8798 0.8799 1.2218 1.2329 6.1591 6.1615 6.3597 6.3601 6.6531 6.6531 7.6248 7.6267 7.6360 7.6362 8.6857 8.6869 9.3963 9.3965 9.5360 9.5370 10.2319 10.2319 14.2107 14.2154 14.2339 14.2350 14.5642 14.5643 15.4748 15.4784 k = 0.5001 0.4988 0.0470 ( 2724 PWs) bands (ev): -45.9069 -45.9069 -22.6583 -22.6580 -22.0253 -22.0253 -21.9879 -21.9875 -14.2054 -14.2054 -6.1322 -6.1318 -5.7830 -5.7818 -5.7636 -5.7636 -0.8672 -0.8560 0.8716 0.8717 1.2058 1.2205 6.1595 6.1623 6.3789 6.3796 6.6531 6.6531 7.6277 7.6302 7.6438 7.6442 8.6561 8.6577 9.4044 9.4046 9.5405 9.5418 10.2326 10.2326 14.2122 14.2184 14.2381 14.2396 14.5667 14.5668 15.5091 15.5136 k = 0.5002 0.4988 0.0594 ( 2730 PWs) bands (ev): -45.9069 -45.9069 -22.6586 -22.6582 -22.0253 -22.0253 -21.9885 -21.9880 -14.2045 -14.2045 -6.1255 -6.1249 -5.7807 -5.7792 -5.7616 -5.7616 -0.8778 -0.8638 0.8611 0.8613 1.1862 1.2043 6.1599 6.1631 6.4035 6.4045 6.6530 6.6531 7.6313 7.6346 7.6536 7.6541 8.6192 8.6209 9.4145 9.4147 9.5464 9.5479 10.2335 10.2335 14.2144 14.2217 14.2442 14.2460 14.5699 14.5701 15.5521 15.5576 k = 0.5002 0.4988 0.0719 ( 2734 PWs) bands (ev): -45.9068 -45.9068 -22.6588 -22.6584 -22.0253 -22.0252 -21.9892 -21.9886 -14.2035 -14.2035 -6.1173 -6.1166 -5.7780 -5.7761 -5.7592 -5.7592 -0.8902 -0.8736 0.8485 0.8487 1.1632 1.1845 6.1604 6.1637 6.4332 6.4344 6.6530 6.6530 7.6356 7.6397 7.6652 7.6658 8.5755 8.5774 9.4267 9.4268 9.5537 9.5553 10.2346 10.2347 14.2174 14.2254 14.2522 14.2541 14.5738 14.5740 15.6033 15.6094 k = 0.5002 0.4989 0.0843 ( 2737 PWs) bands (ev): -45.9068 -45.9068 -22.6591 -22.6586 -22.0252 -22.0252 -21.9899 -21.9893 -14.2022 -14.2022 -6.1076 -6.1069 -5.7747 -5.7726 -5.7563 -5.7563 -0.9043 -0.8853 0.8339 0.8341 1.1369 1.1613 6.1609 6.1642 6.4676 6.4691 6.6530 6.6531 7.6403 7.6453 7.6785 7.6792 8.5259 8.5278 9.4409 9.4409 9.5623 9.5641 10.2359 10.2360 14.2214 14.2299 14.2620 14.2639 14.5784 14.5786 15.6616 15.6683 k = 0.5003 0.4989 0.0967 ( 2736 PWs) bands (ev): -45.9068 -45.9068 -22.6594 -22.6588 -22.0252 -22.0251 -21.9908 -21.9900 -14.2008 -14.2008 -6.0967 -6.0958 -5.7710 -5.7686 -5.7531 -5.7531 -0.9202 -0.8988 0.8173 0.8176 1.1077 1.1350 6.1613 6.1646 6.5066 6.5081 6.6530 6.6532 7.6453 7.6514 7.6930 7.6940 8.4710 8.4729 9.4569 9.4570 9.5723 9.5742 10.2374 10.2375 14.2266 14.2353 14.2735 14.2753 14.5836 14.5838 15.7263 15.7333 k = 0.5003 0.4989 0.1092 ( 2739 PWs) bands (ev): -45.9068 -45.9068 -22.6597 -22.6591 -22.0251 -22.0251 -21.9917 -21.9909 -14.1992 -14.1992 -6.0844 -6.0834 -5.7668 -5.7641 -5.7495 -5.7494 -0.9376 -0.9140 0.7990 0.7992 1.0759 1.1058 6.1616 6.1649 6.5498 6.5509 6.6530 6.6535 7.6504 7.6576 7.7086 7.7099 8.4118 8.4136 9.4747 9.4750 9.5837 9.5857 10.2390 10.2391 14.2332 14.2419 14.2865 14.2882 14.5895 14.5897 15.7963 15.8036 k = 0.5003 0.4990 0.1216 ( 2738 PWs) bands (ev): -45.9068 -45.9068 -22.6601 -22.6594 -22.0250 -22.0250 -21.9927 -21.9918 -14.1975 -14.1975 -6.0709 -6.0698 -5.7621 -5.7592 -5.7455 -5.7454 -0.9565 -0.9308 0.7789 0.7792 1.0418 1.0740 6.1619 6.1650 6.5965 6.5967 6.6531 6.6543 7.6553 7.6637 7.7248 7.7264 8.3494 8.3509 9.4945 9.4949 9.5966 9.5986 10.2408 10.2410 14.2412 14.2499 14.3010 14.3025 14.5960 14.5961 15.8708 15.8783 k = 0.5004 0.4990 0.1340 ( 2736 PWs) bands (ev): -45.9067 -45.9067 -22.6605 -22.6597 -22.0250 -22.0249 -21.9937 -21.9928 -14.1956 -14.1956 -6.0563 -6.0551 -5.7571 -5.7538 -5.7411 -5.7411 -0.9767 -0.9491 0.7573 0.7577 1.0057 1.0401 6.1620 6.1650 6.6397 6.6448 6.6551 6.6611 7.6596 7.6693 7.7413 7.7432 8.2849 8.2860 9.5160 9.5167 9.6110 9.6130 10.2428 10.2430 14.2507 14.2592 14.3168 14.3182 14.6031 14.6031 15.9488 15.9564 k = 0.5004 0.4990 0.1464 ( 2734 PWs) bands (ev): -45.9067 -45.9067 -22.6609 -22.6601 -22.0249 -22.0248 -21.9948 -21.9938 -14.1936 -14.1936 -6.0405 -6.0392 -5.7517 -5.7481 -5.7364 -5.7364 -0.9981 -0.9687 0.7344 0.7348 0.9680 1.0042 6.1620 6.1648 6.6502 6.6525 6.7006 6.7031 7.6626 7.6735 7.7573 7.7597 8.2200 8.2204 9.5394 9.5402 9.6269 9.6289 10.2449 10.2451 14.2618 14.2700 14.3338 14.3351 14.6106 14.6106 16.0293 16.0370 k = 0.5004 0.4991 0.1589 ( 2734 PWs) bands (ev): -45.9067 -45.9067 -22.6613 -22.6605 -22.0248 -22.0247 -21.9960 -21.9950 -14.1914 -14.1914 -6.0238 -6.0224 -5.7459 -5.7421 -5.7315 -5.7314 -1.0206 -0.9896 0.7103 0.7107 0.9289 0.9666 6.1617 6.1645 6.6513 6.6527 6.7559 6.7565 7.6634 7.6755 7.7721 7.7750 8.1561 8.1567 9.5646 9.5655 9.6444 9.6465 10.2471 10.2474 14.2743 14.2822 14.3519 14.3531 14.6186 14.6187 16.1114 16.1190 k = 0.5005 0.4991 0.1713 ( 2730 PWs) bands (ev): -45.9066 -45.9066 -22.6617 -22.6609 -22.0247 -22.0246 -21.9973 -21.9962 -14.1892 -14.1892 -6.0061 -6.0046 -5.7398 -5.7357 -5.7262 -5.7261 -1.0440 -1.0116 0.6851 0.6856 0.8887 0.9278 6.1613 6.1639 6.6518 6.6529 6.8124 6.8133 7.6604 7.6732 7.7849 7.7882 8.0963 8.0983 9.5914 9.5926 9.6636 9.6656 10.2494 10.2498 14.2882 14.2957 14.3711 14.3722 14.6271 14.6272 16.1941 16.2017 k = 0.5005 0.4991 0.1837 ( 2728 PWs) bands (ev): -45.9066 -45.9066 -22.6622 -22.6613 -22.0246 -22.0245 -21.9985 -21.9974 -14.1869 -14.1868 -5.9877 -5.9861 -5.7334 -5.7290 -5.7207 -5.7205 -1.0681 -1.0345 0.6590 0.6596 0.8478 0.8879 6.1607 6.1631 6.6521 6.6530 6.8696 6.8721 7.6511 7.6637 7.7948 7.7979 8.0449 8.0491 9.6199 9.6212 9.6845 9.6864 10.2519 10.2523 14.3035 14.3105 14.3912 14.3923 14.6359 14.6361 16.2764 16.2840 k = 0.5005 0.4992 0.1962 ( 2726 PWs) bands (ev): -45.9066 -45.9066 -22.6627 -22.6617 -22.0245 -22.0244 -21.9999 -21.9987 -14.1844 -14.1844 -5.9685 -5.9668 -5.7268 -5.7222 -5.7150 -5.7148 -1.0929 -1.0583 0.6323 0.6329 0.8064 0.8473 6.1597 6.1620 6.6523 6.6531 6.9275 6.9320 7.6319 7.6429 7.8015 7.8031 8.0071 8.0135 9.6499 9.6513 9.7070 9.7089 10.2544 10.2549 14.3200 14.3265 14.4122 14.4132 14.6450 14.6454 16.3573 16.3649 k = 0.5006 0.4992 0.2086 ( 2732 PWs) bands (ev): -45.9065 -45.9065 -22.6632 -22.6622 -22.0244 -22.0243 -22.0012 -22.0000 -14.1819 -14.1819 -5.9487 -5.9469 -5.7200 -5.7151 -5.7091 -5.7087 -1.1181 -1.0827 0.6050 0.6057 0.7649 0.8063 6.1584 6.1605 6.6526 6.6533 6.9856 6.9922 7.5997 7.6080 7.8044 7.8064 7.9858 7.9936 9.6814 9.6829 9.7311 9.7330 10.2570 10.2575 14.3376 14.3436 14.4339 14.4348 14.6545 14.6549 16.4357 16.4434 k = 0.5006 0.4992 0.2210 ( 2726 PWs) bands (ev): -45.9065 -45.9065 -22.6637 -22.6627 -22.0243 -22.0242 -22.0026 -22.0013 -14.1794 -14.1794 -5.9284 -5.9265 -5.7131 -5.7079 -5.7029 -5.7025 -1.1435 -1.1076 0.5774 0.5781 0.7234 0.7651 6.1567 6.1587 6.6528 6.6535 7.0433 7.0522 7.5542 7.5597 7.8045 7.8114 7.9789 7.9871 9.7141 9.7157 9.7568 9.7588 10.2597 10.2603 14.3561 14.3617 14.4562 14.4570 14.6642 14.6647 16.5106 16.5185 k = 0.5006 0.4993 0.2335 ( 2728 PWs) bands (ev): -45.9064 -45.9064 -22.6642 -22.6632 -22.0242 -22.0241 -22.0040 -22.0027 -14.1768 -14.1768 -5.9078 -5.9058 -5.7061 -5.7007 -5.6966 -5.6961 -1.1691 -1.1329 0.5496 0.5504 0.6823 0.7239 6.1546 6.1564 6.6531 6.6537 7.0999 7.1115 7.4984 7.5018 7.8059 7.8179 7.9816 7.9896 9.7480 9.7496 9.7841 9.7860 10.2624 10.2631 14.3754 14.3806 14.4790 14.4798 14.6741 14.6747 16.5811 16.5893 k = 0.5007 0.4993 0.2459 ( 2728 PWs) bands (ev): -45.9064 -45.9064 -22.6647 -22.6637 -22.0241 -22.0240 -22.0054 -22.0041 -14.1742 -14.1742 -5.8869 -5.8848 -5.6991 -5.6935 -5.6900 -5.6896 -1.1947 -1.1583 0.5218 0.5227 0.6417 0.6831 6.1519 6.1536 6.6534 6.6540 7.1545 7.1691 7.4368 7.4388 7.8094 7.8261 7.9896 7.9971 9.7828 9.7845 9.8127 9.8146 10.2651 10.2659 14.3955 14.4002 14.5023 14.5030 14.6842 14.6849 16.6461 16.6549 k = 0.5007 0.4993 0.2583 ( 2728 PWs) bands (ev): -45.9064 -45.9064 -22.6652 -22.6642 -22.0240 -22.0239 -22.0067 -22.0055 -14.1716 -14.1716 -5.8659 -5.8637 -5.6921 -5.6865 -5.6831 -5.6829 -1.2201 -1.1838 0.4942 0.4951 0.6020 0.6428 6.1486 6.1501 6.6537 6.6542 7.2052 7.2227 7.3742 7.3752 7.8150 7.8359 8.0001 8.0072 9.8183 9.8200 9.8426 9.8445 10.2678 10.2687 14.4160 14.4202 14.5258 14.5265 14.6943 14.6951 16.7048 16.7143 k = 0.5007 0.4994 0.2708 ( 2728 PWs) bands (ev): -45.9063 -45.9063 -22.6657 -22.6647 -22.0240 -22.0238 -22.0081 -22.0068 -14.1690 -14.1690 -5.8450 -5.8426 -5.6852 -5.6798 -5.6761 -5.6760 -1.2452 -1.2092 0.4668 0.4679 0.5632 0.6032 6.1447 6.1461 6.6540 6.6545 7.2414 7.2573 7.3232 7.3274 7.8226 7.8473 8.0117 8.0185 9.8543 9.8559 9.8735 9.8756 10.2706 10.2716 14.4369 14.4407 14.5494 14.5501 14.7045 14.7054 16.7566 16.7671 k = 0.5008 0.4994 0.2832 ( 2740 PWs) bands (ev): -45.9063 -45.9063 -22.6663 -22.6653 -22.0239 -22.0238 -22.0095 -22.0082 -14.1665 -14.1665 -5.8241 -5.8216 -5.6784 -5.6733 -5.6692 -5.6688 -1.2698 -1.2343 0.4400 0.4411 0.5255 0.5646 6.1400 6.1412 6.6543 6.6548 7.2171 7.2215 7.3298 7.3489 7.8319 7.8601 8.0235 8.0300 9.8904 9.8921 9.9054 9.9075 10.2733 10.2744 14.4579 14.4613 14.5730 14.5737 14.7147 14.7157 16.8011 16.8128 k = 0.5008 0.4994 0.2956 ( 2736 PWs) bands (ev): -45.9062 -45.9062 -22.6668 -22.6658 -22.0239 -22.0237 -22.0107 -22.0095 -14.1639 -14.1639 -5.8036 -5.8010 -5.6719 -5.6669 -5.6622 -5.6615 -1.2938 -1.2590 0.4137 0.4150 0.4892 0.5271 6.1344 6.1355 6.6546 6.6551 7.1592 7.1614 7.3686 7.3932 7.8432 7.8744 8.0350 8.0414 9.9265 9.9280 9.9381 9.9403 10.2759 10.2772 14.4789 14.4820 14.5966 14.5972 14.7249 14.7260 16.8383 16.8514 k = 0.5009 0.4995 0.3081 ( 2732 PWs) bands (ev): -45.9062 -45.9062 -22.6672 -22.6663 -22.0238 -22.0237 -22.0119 -22.0107 -14.1615 -14.1615 -5.7835 -5.7807 -5.6655 -5.6607 -5.6553 -5.6543 -1.3170 -1.2832 0.3883 0.3896 0.4545 0.4909 6.1280 6.1290 6.6549 6.6554 7.0989 7.1006 7.4088 7.4368 7.8565 7.8902 8.0460 8.0523 9.9621 9.9634 9.9715 9.9736 10.2785 10.2800 14.4998 14.5025 14.6199 14.6205 14.7351 14.7362 16.8684 16.8830 k = 0.5009 0.4995 0.3205 ( 2740 PWs) bands (ev): -45.9062 -45.9062 -22.6677 -22.6668 -22.0238 -22.0236 -22.0132 -22.0120 -14.1591 -14.1591 -5.7640 -5.7610 -5.6594 -5.6547 -5.6485 -5.6473 -1.3393 -1.3067 0.3638 0.3652 0.4214 0.4562 6.1206 6.1215 6.6553 6.6557 7.0407 7.0421 7.4464 7.4768 7.8718 7.9073 8.0563 8.0625 9.9969 9.9978 10.0053 10.0072 10.2810 10.2826 14.5203 14.5227 14.6428 14.6434 14.7451 14.7463 16.8920 16.9083 k = 0.5009 0.4995 0.3329 ( 2738 PWs) bands (ev): -45.9061 -45.9061 -22.6682 -22.6673 -22.0237 -22.0236 -22.0143 -22.0131 -14.1568 -14.1568 -5.7451 -5.7420 -5.6534 -5.6487 -5.6418 -5.6405 -1.3606 -1.3293 0.3403 0.3418 0.3901 0.4230 6.1123 6.1130 6.6556 6.6560 6.9858 6.9871 7.4804 7.5123 7.8894 7.9257 8.0657 8.0720 10.0308 10.0311 10.0392 10.0408 10.2835 10.2853 14.5403 14.5424 14.6652 14.6657 14.7549 14.7562 16.9098 16.9278 k = 0.5010 0.4996 0.3454 ( 2741 PWs) bands (ev): -45.9061 -45.9061 -22.6686 -22.6678 -22.0237 -22.0235 -22.0154 -22.0143 -14.1546 -14.1546 -5.7272 -5.7238 -5.6478 -5.6430 -5.6352 -5.6339 -1.3807 -1.3510 0.3180 0.3197 0.3607 0.3916 6.1031 6.1037 6.6559 6.6563 6.9348 6.9360 7.5106 7.5430 7.9091 7.9451 8.0744 8.0808 10.0633 10.0635 10.0725 10.0739 10.2858 10.2878 14.5596 14.5614 14.6868 14.6874 14.7646 14.7658 16.9229 16.9425 k = 0.5010 0.4996 0.3578 ( 2746 PWs) bands (ev): -45.9061 -45.9061 -22.6690 -22.6682 -22.0237 -22.0235 -22.0164 -22.0153 -14.1525 -14.1525 -5.7103 -5.7066 -5.6424 -5.6374 -5.6290 -5.6277 -1.3996 -1.3715 0.2970 0.2988 0.3333 0.3621 6.0930 6.0935 6.6562 6.6566 6.8882 6.8892 7.5368 7.5689 7.9306 7.9653 8.0822 8.0888 10.0943 10.0949 10.1047 10.1060 10.2880 10.2903 14.5779 14.5795 14.7077 14.7082 14.7740 14.7753 16.9320 16.9532 k = 0.5010 0.4997 0.3702 ( 2746 PWs) bands (ev): -45.9061 -45.9061 -22.6694 -22.6687 -22.0237 -22.0235 -22.0173 -22.0163 -14.1506 -14.1505 -5.6945 -5.6905 -5.6372 -5.6319 -5.6230 -5.6218 -1.4171 -1.3909 0.2774 0.2793 0.3080 0.3345 6.0822 6.0826 6.6565 6.6568 6.8461 6.8470 7.5594 7.5901 7.9533 7.9857 8.0892 8.0961 10.1239 10.1249 10.1355 10.1368 10.2901 10.2927 14.5952 14.5966 14.7276 14.7281 14.7831 14.7844 16.9381 16.9608 k = 0.5011 0.4997 0.3827 ( 2748 PWs) bands (ev): -45.9060 -45.9060 -22.6698 -22.6691 -22.0237 -22.0235 -22.0181 -22.0172 -14.1487 -14.1487 -5.6801 -5.6757 -5.6322 -5.6267 -5.6174 -5.6164 -1.4332 -1.4090 0.2593 0.2614 0.2850 0.3091 6.0709 6.0711 6.6568 6.6571 6.8086 6.8093 7.5786 7.6073 7.9766 8.0057 8.0954 8.1027 10.1518 10.1532 10.1644 10.1657 10.2920 10.2950 14.6113 14.6125 14.7463 14.7467 14.7919 14.7931 16.9422 16.9659 k = 0.5011 0.4997 0.3951 ( 2748 PWs) bands (ev): -45.9060 -45.9060 -22.6701 -22.6694 -22.0237 -22.0236 -22.0188 -22.0180 -14.1471 -14.1471 -5.6672 -5.6625 -5.6274 -5.6215 -5.6122 -5.6114 -1.4476 -1.4257 0.2429 0.2450 0.2643 0.2857 6.0593 6.0595 6.6571 6.6573 6.7757 6.7763 7.5948 7.6209 7.9996 8.0250 8.1009 8.1087 10.1777 10.1795 10.1911 10.1926 10.2938 10.2972 14.6261 14.6271 14.7636 14.7641 14.8002 14.8014 16.9448 16.9693 k = 0.5011 0.4998 0.4075 ( 2750 PWs) bands (ev): -45.9060 -45.9060 -22.6703 -22.6698 -22.0238 -22.0237 -22.0194 -22.0187 -14.1456 -14.1456 -5.6559 -5.6510 -5.6226 -5.6165 -5.6074 -5.6068 -1.4605 -1.4409 0.2282 0.2304 0.2458 0.2647 6.0478 6.0479 6.6573 6.6575 6.7473 6.7479 7.6083 7.6315 8.0217 8.0428 8.1058 8.1142 10.2014 10.2035 10.2154 10.2171 10.2955 10.2993 14.6394 14.6403 14.7795 14.7799 14.8081 14.8092 16.9467 16.9714 k = 0.5012 0.4998 0.4199 ( 2751 PWs) bands (ev): -45.9060 -45.9060 -22.6706 -22.6701 -22.0239 -22.0238 -22.0199 -22.0192 -14.1443 -14.1443 -5.6464 -5.6414 -5.6178 -5.6116 -5.6031 -5.6027 -1.4716 -1.4544 0.2153 0.2175 0.2298 0.2460 6.0368 6.0368 6.6575 6.6577 6.7233 6.7237 7.6195 7.6396 8.0422 8.0587 8.1102 8.1192 10.2225 10.2250 10.2371 10.2389 10.2971 10.3015 14.6511 14.6518 14.7937 14.7941 14.8154 14.8163 16.9485 16.9724 k = 0.5012 0.4998 0.4324 ( 2760 PWs) bands (ev): -45.9059 -45.9059 -22.6708 -22.6704 -22.0241 -22.0240 -22.0203 -22.0197 -14.1431 -14.1431 -5.6387 -5.6341 -5.6128 -5.6069 -5.5992 -5.5991 -1.4810 -1.4664 0.2044 0.2065 0.2161 0.2296 6.0265 6.0266 6.6577 6.6579 6.7034 6.7037 7.6287 7.6457 8.0604 8.0722 8.1142 8.1238 10.2407 10.2437 10.2558 10.2577 10.2986 10.3036 14.6611 14.6618 14.8061 14.8063 14.8220 14.8228 16.9505 16.9724 k = 0.5012 0.4999 0.4448 ( 2770 PWs) bands (ev): -45.9059 -45.9059 -22.6710 -22.6707 -22.0242 -22.0242 -22.0206 -22.0202 -14.1422 -14.1422 -5.6328 -5.6289 -5.6080 -5.6028 -5.5959 -5.5958 -1.4886 -1.4765 0.1956 0.1974 0.2047 0.2157 6.0175 6.0175 6.6579 6.6580 6.6873 6.6876 7.6362 7.6500 8.0757 8.0831 8.1180 8.1279 10.2558 10.2592 10.2712 10.2733 10.3004 10.3059 14.6695 14.6700 14.8163 14.8165 14.8278 14.8285 16.9531 16.9711 k = 0.5013 0.4999 0.4572 ( 2780 PWs) bands (ev): -45.9059 -45.9059 -22.6712 -22.6709 -22.0244 -22.0243 -22.0208 -22.0205 -14.1414 -14.1414 -5.6283 -5.6253 -5.6036 -5.5995 -5.5931 -5.5929 -1.4942 -1.4849 0.1888 0.1903 0.1958 0.2043 6.0099 6.0099 6.6580 6.6581 6.6750 6.6752 7.6423 7.6528 8.0876 8.0914 8.1218 8.1314 10.2676 10.2713 10.2833 10.2852 10.3028 10.3084 14.6761 14.6765 14.8244 14.8244 14.8329 14.8333 16.9559 16.9681 k = 0.5013 0.4999 0.4697 ( 2800 PWs) bands (ev): -45.9059 -45.9059 -22.6714 -22.6712 -22.0246 -22.0246 -22.0210 -22.0208 -14.1409 -14.1409 -5.6252 -5.6231 -5.6001 -5.5973 -5.5907 -5.5906 -1.4981 -1.4915 0.1843 0.1851 0.1893 0.1954 6.0041 6.0041 6.6581 6.6582 6.6662 6.6663 7.6470 7.6543 8.0958 8.0972 8.1258 8.1337 10.2761 10.2795 10.2919 10.2930 10.3063 10.3108 14.6810 14.6812 14.8300 14.8300 14.8371 14.8373 16.9584 16.9637 k = 0.5013 0.5000 0.4821 ( 2800 PWs) bands (ev): -45.9059 -45.9059 -22.6714 -22.6713 -22.0247 -22.0247 -22.0210 -22.0209 -14.1405 -14.1405 -5.6231 -5.6220 -5.5977 -5.5961 -5.5891 -5.5890 -1.4999 -1.4962 0.1817 0.1820 0.1854 0.1891 6.0004 6.0004 6.6581 6.6581 6.6607 6.6608 7.6505 7.6546 8.1005 8.1008 8.1296 8.1346 10.2815 10.2838 10.2971 10.2973 10.3100 10.3126 14.6841 14.6842 14.8333 14.8333 14.8400 14.8401 16.9587 16.9596 k = 0.5014 0.5000 0.4945 ( 2800 PWs) bands (ev): -45.9059 -45.9059 -22.6714 -22.6714 -22.0247 -22.0247 -22.0210 -22.0210 -14.1404 -14.1404 -5.6220 -5.6218 -5.5964 -5.5960 -5.5883 -5.5883 -1.4999 -1.4990 0.1807 0.1807 0.1845 0.1855 5.9988 5.9988 6.6577 6.6577 6.6588 6.6588 7.6528 7.6539 8.1024 8.1024 8.1325 8.1338 10.2842 10.2848 10.2991 10.2991 10.3125 10.3131 14.6854 14.6855 14.8346 14.8346 14.8413 14.8413 16.9578 16.9578 k = 0.5014 0.5000 0.4945 ( 2800 PWs) bands (ev): -45.9059 -45.9059 -22.6714 -22.6714 -22.0247 -22.0247 -22.0210 -22.0210 -14.1404 -14.1404 -5.6220 -5.6218 -5.5964 -5.5960 -5.5883 -5.5883 -1.4999 -1.4990 0.1807 0.1807 0.1845 0.1855 5.9988 5.9988 6.6577 6.6577 6.6588 6.6588 7.6528 7.6539 8.1024 8.1024 8.1325 8.1338 10.2842 10.2848 10.2991 10.2991 10.3125 10.3131 14.6854 14.6855 14.8346 14.8346 14.8413 14.8413 16.9578 16.9578 k = 0.5000 0.4986 0.4973 ( 2800 PWs) bands (ev): -45.9059 -45.9059 -22.6714 -22.6714 -22.0247 -22.0247 -22.0210 -22.0210 -14.1404 -14.1404 -5.6219 -5.6219 -5.5962 -5.5962 -5.5882 -5.5882 -1.4995 -1.4995 0.1807 0.1807 0.1849 0.1849 5.9988 5.9988 6.6577 6.6577 6.6588 6.6588 7.6534 7.6534 8.1025 8.1025 8.1331 8.1331 10.2846 10.2846 10.2992 10.2992 10.3129 10.3129 14.6855 14.6855 14.8347 14.8347 14.8414 14.8414 16.9577 16.9578 k = 0.5000-0.0014-0.0014 ( 2750 PWs) bands (ev): -45.9079 -45.9079 -22.6439 -22.6439 -22.0089 -22.0089 -21.9713 -21.9713 -14.2829 -14.2829 -6.7292 -6.7292 -5.7927 -5.7927 -5.5375 -5.5375 -0.7292 -0.7292 1.1645 1.1645 1.3217 1.3217 6.4337 6.4337 7.6399 7.6399 7.6564 7.6564 8.1995 8.1995 8.2502 8.2502 8.6306 8.6306 8.7235 8.7235 9.3691 9.3691 9.5011 9.5011 12.9083 12.9083 14.1402 14.1402 14.2403 14.2403 14.8320 14.8320 k = 0.5000 0.0075 0.0075 ( 2752 PWs) bands (ev): -45.9079 -45.9079 -22.6440 -22.6439 -22.0090 -22.0089 -21.9713 -21.9713 -14.2828 -14.2828 -6.7284 -6.7284 -5.7925 -5.7925 -5.5379 -5.5378 -0.7295 -0.7293 1.1643 1.1643 1.3208 1.3213 6.4331 6.4337 7.6396 7.6404 7.6554 7.6563 8.1921 8.1950 8.2431 8.2435 8.6357 8.6363 8.7311 8.7315 9.3660 9.3667 9.4996 9.4997 12.9104 12.9105 14.1400 14.1404 14.2395 14.2406 14.8349 14.8358 k = 0.5001 0.0164 0.0164 ( 2750 PWs) bands (ev): -45.9079 -45.9079 -22.6440 -22.6439 -22.0090 -22.0089 -21.9714 -21.9714 -14.2824 -14.2824 -6.7262 -6.7261 -5.7921 -5.7921 -5.5390 -5.5389 -0.7302 -0.7298 1.1639 1.1640 1.3186 1.3197 6.4320 6.4332 7.6393 7.6411 7.6536 7.6552 8.1710 8.1777 8.2263 8.2267 8.6508 8.6517 8.7530 8.7537 9.3574 9.3589 9.4951 9.4953 12.9167 12.9168 14.1398 14.1406 14.2385 14.2405 14.8444 14.8462 k = 0.5001 0.0253 0.0253 ( 2750 PWs) bands (ev): -45.9079 -45.9079 -22.6442 -22.6440 -22.0091 -22.0089 -21.9716 -21.9716 -14.2819 -14.2819 -6.7224 -6.7224 -5.7914 -5.7914 -5.5408 -5.5406 -0.7312 -0.7306 1.1632 1.1633 1.3153 1.3169 6.4303 6.4321 7.6382 7.6418 7.6515 7.6531 8.1355 8.1458 8.2059 8.2072 8.6738 8.6747 8.7858 8.7867 9.3435 9.3456 9.4878 9.4881 12.9272 12.9273 14.1396 14.1408 14.2371 14.2400 14.8605 14.8630 k = 0.5002 0.0342 0.0342 ( 2752 PWs) bands (ev): -45.9079 -45.9079 -22.6443 -22.6441 -22.0092 -22.0090 -21.9719 -21.9719 -14.2811 -14.2810 -6.7171 -6.7171 -5.7904 -5.7904 -5.5433 -5.5431 -0.7326 -0.7318 1.1621 1.1623 1.3109 1.3130 6.4280 6.4304 7.6351 7.6417 7.6502 7.6508 8.0889 8.1019 8.1855 8.1872 8.7029 8.7036 8.8260 8.8268 9.3243 9.3271 9.4779 9.4782 12.9417 12.9419 14.1395 14.1411 14.2355 14.2393 14.8829 14.8861 k = 0.5002 0.0432 0.0430 ( 2752 PWs) bands (ev): -45.9079 -45.9079 -22.6446 -22.6443 -22.0094 -22.0091 -21.9723 -21.9723 -14.2800 -14.2800 -6.7104 -6.7103 -5.7891 -5.7891 -5.5465 -5.5461 -0.7344 -0.7336 1.1604 1.1607 1.3055 1.3081 6.4253 6.4283 7.6289 7.6385 7.6499 7.6501 8.0356 8.0509 8.1650 8.1666 8.7366 8.7371 8.8704 8.8710 9.3000 9.3035 9.4656 9.4659 12.9602 12.9605 14.1395 14.1415 14.2340 14.2384 14.9114 14.9152 k = 0.5003 0.0521 0.0519 ( 2755 PWs) bands (ev): -45.9079 -45.9079 -22.6448 -22.6445 -22.0095 -22.0092 -21.9727 -21.9727 -14.2788 -14.2788 -6.7021 -6.7021 -5.7876 -5.7876 -5.5503 -5.5499 -0.7367 -0.7358 1.1579 1.1584 1.2992 1.3023 6.4222 6.4257 7.6195 7.6316 7.6508 7.6509 7.9790 7.9967 8.1444 8.1458 8.7739 8.7741 8.9171 8.9172 9.2708 9.2751 9.4511 9.4514 12.9824 12.9828 14.1398 14.1421 14.2325 14.2375 14.9457 14.9500 k = 0.5003 0.0610 0.0608 ( 2747 PWs) bands (ev): -45.9078 -45.9078 -22.6451 -22.6447 -22.0097 -22.0093 -21.9732 -21.9732 -14.2773 -14.2773 -6.6924 -6.6924 -5.7858 -5.7858 -5.5546 -5.5541 -0.7395 -0.7386 1.1545 1.1552 1.2923 1.2958 6.4186 6.4226 7.6066 7.6213 7.6521 7.6522 7.9215 7.9418 8.1240 8.1252 8.8141 8.8142 8.9640 8.9645 9.2371 9.2423 9.4350 9.4352 13.0083 13.0087 14.1404 14.1430 14.2312 14.2368 14.9856 14.9902 k = 0.5004 0.0699 0.0697 ( 2751 PWs) bands (ev): -45.9078 -45.9078 -22.6454 -22.6450 -22.0099 -22.0094 -21.9738 -21.9738 -14.2756 -14.2756 -6.6813 -6.6812 -5.7837 -5.7837 -5.5595 -5.5590 -0.7429 -0.7421 1.1498 1.1507 1.2850 1.2888 6.4148 6.4192 7.5895 7.6069 7.6532 7.6536 7.8657 7.8885 8.1042 8.1051 8.8563 8.8566 9.0102 9.0118 9.1993 9.2056 9.4175 9.4177 13.0376 13.0381 14.1414 14.1443 14.2303 14.2363 15.0306 15.0356 k = 0.5004 0.0788 0.0786 ( 2748 PWs) bands (ev): -45.9078 -45.9078 -22.6458 -22.6453 -22.0101 -22.0096 -21.9745 -21.9744 -14.2737 -14.2737 -6.6688 -6.6686 -5.7814 -5.7814 -5.5648 -5.5642 -0.7469 -0.7462 1.1436 1.1447 1.2775 1.2815 6.4106 6.4155 7.5672 7.5869 7.6538 7.6547 7.8140 7.8390 8.0852 8.0859 8.9002 8.9008 9.0538 9.0577 9.1581 9.1667 9.3991 9.3993 13.0701 13.0706 14.1429 14.1460 14.2299 14.2361 15.0806 15.0858 k = 0.5005 0.0877 0.0874 ( 2750 PWs) bands (ev): -45.9078 -45.9078 -22.6462 -22.6457 -22.0103 -22.0098 -21.9752 -21.9752 -14.2716 -14.2716 -6.6548 -6.6547 -5.7788 -5.7788 -5.5706 -5.5699 -0.7516 -0.7511 1.1357 1.1369 1.2701 1.2741 6.4063 6.4116 7.5387 7.5595 7.6538 7.6550 7.7691 7.7951 8.0674 8.0678 8.9452 8.9462 9.0834 9.0929 9.1231 9.1373 9.3805 9.3805 13.1055 13.1061 14.1450 14.1483 14.2301 14.2365 15.1350 15.1404 k = 0.5005 0.0966 0.0963 ( 2749 PWs) bands (ev): -45.9077 -45.9077 -22.6466 -22.6460 -22.0106 -22.0100 -21.9760 -21.9760 -14.2693 -14.2693 -6.6395 -6.6394 -5.7760 -5.7760 -5.5767 -5.5760 -0.7570 -0.7568 1.1258 1.1270 1.2630 1.2667 6.4018 6.4074 7.5035 7.5238 7.6528 7.6543 7.7326 7.7578 8.0508 8.0509 8.9901 8.9922 9.0585 9.0590 9.1534 9.1583 9.3620 9.3623 13.1437 13.1443 14.1477 14.1513 14.2309 14.2375 15.1937 15.1991 k = 0.5006 0.1055 0.1052 ( 2746 PWs) bands (ev): -45.9077 -45.9077 -22.6471 -22.6464 -22.0109 -22.0102 -21.9769 -21.9768 -14.2669 -14.2668 -6.6229 -6.6227 -5.7729 -5.7729 -5.5830 -5.5823 -0.7635 -0.7633 1.1138 1.1149 1.2561 1.2592 6.3973 6.4032 7.4624 7.4806 7.6504 7.6523 7.7042 7.7271 8.0355 8.0356 9.0041 9.0058 9.0404 9.0431 9.1957 9.1974 9.3447 9.3454 13.1843 13.1850 14.1512 14.1550 14.2324 14.2391 15.2562 15.2617 k = 0.5006 0.1144 0.1141 ( 2744 PWs) bands (ev): -45.9077 -45.9077 -22.6476 -22.6469 -22.0111 -22.0104 -21.9778 -21.9778 -14.2642 -14.2642 -6.6050 -6.6048 -5.7696 -5.7696 -5.5896 -5.5889 -0.7710 -0.7704 1.0997 1.1005 1.2493 1.2518 6.3928 6.3988 7.4172 7.4325 7.6463 7.6486 7.6823 7.7020 8.0213 8.0217 8.9522 8.9538 9.0857 9.0859 9.2371 9.2373 9.3296 9.3312 13.2271 13.2279 14.1556 14.1594 14.2348 14.2415 15.3223 15.3278 k = 0.5007 0.1233 0.1230 ( 2744 PWs) bands (ev): -45.9076 -45.9076 -22.6481 -22.6474 -22.0114 -22.0106 -21.9788 -21.9788 -14.2614 -14.2614 -6.5859 -6.5856 -5.7661 -5.7661 -5.5963 -5.5956 -0.7795 -0.7784 1.0836 1.0839 1.2426 1.2441 6.3884 6.3945 7.3698 7.3820 7.6401 7.6426 7.6648 7.6811 8.0086 8.0092 8.8956 8.8981 9.1295 9.1300 9.2741 9.2767 9.3192 9.3226 13.2719 13.2728 14.1608 14.1647 14.2381 14.2448 15.3915 15.3970 k = 0.5007 0.1322 0.1318 ( 2748 PWs) bands (ev): -45.9076 -45.9076 -22.6487 -22.6479 -22.0118 -22.0109 -21.9799 -21.9798 -14.2584 -14.2584 -6.5655 -6.5652 -5.7624 -5.7623 -5.6031 -5.6023 -0.7891 -0.7873 1.0654 1.0655 1.2357 1.2359 6.3841 6.3902 7.3220 7.3312 7.6311 7.6338 7.6504 7.6634 7.9970 7.9979 8.8373 8.8400 9.1690 9.1699 9.2993 9.3045 9.3256 9.3314 13.3185 13.3194 14.1669 14.1710 14.2423 14.2490 15.4637 15.4691 k = 0.5008 0.1411 0.1407 ( 2744 PWs) bands (ev): -45.9075 -45.9075 -22.6492 -22.6485 -22.0121 -22.0112 -21.9810 -21.9809 -14.2553 -14.2553 -6.5440 -6.5436 -5.7584 -5.7584 -5.6099 -5.6091 -0.7997 -0.7973 1.0449 1.0456 1.2271 1.2282 6.3799 6.3859 7.2752 7.2818 7.6193 7.6222 7.6380 7.6479 7.9865 7.9876 8.7777 8.7805 9.1991 9.2005 9.3136 9.3158 9.3592 9.3619 13.3665 13.3674 14.1741 14.1782 14.2475 14.2542 15.5383 15.5436 k = 0.5008 0.1500 0.1496 ( 2744 PWs) bands (ev): -45.9075 -45.9075 -22.6499 -22.6490 -22.0124 -22.0115 -21.9821 -21.9821 -14.2520 -14.2520 -6.5213 -6.5209 -5.7543 -5.7543 -5.6166 -5.6158 -0.8113 -0.8082 1.0229 1.0240 1.2172 1.2198 6.3760 6.3818 7.2305 7.2346 7.6049 7.6086 7.6257 7.6334 7.9768 7.9782 8.7173 8.7201 9.2158 9.2173 9.3384 9.3395 9.3955 9.3968 13.4157 13.4167 14.1822 14.1863 14.2538 14.2604 15.6152 15.6204 k = 0.5009 0.1589 0.1585 ( 2746 PWs) bands (ev): -45.9075 -45.9075 -22.6505 -22.6497 -22.0128 -22.0118 -21.9834 -21.9833 -14.2486 -14.2486 -6.4976 -6.4971 -5.7500 -5.7499 -5.6232 -5.6223 -0.8241 -0.8201 0.9994 1.0010 1.2062 1.2103 6.3723 6.3777 7.1888 7.1905 7.5886 7.5939 7.6122 7.6186 7.9679 7.9694 8.6568 8.6595 9.2229 9.2243 9.3746 9.3755 9.4311 9.4318 13.4659 13.4670 14.1913 14.1955 14.2611 14.2677 15.6939 15.6991 k = 0.5009 0.1678 0.1674 ( 2748 PWs) bands (ev): -45.9074 -45.9074 -22.6512 -22.6503 -22.0131 -22.0122 -21.9846 -21.9846 -14.2451 -14.2451 -6.4729 -6.4724 -5.7455 -5.7455 -5.6296 -5.6287 -0.8379 -0.8331 0.9745 0.9767 1.1936 1.1994 6.3689 6.3738 7.1501 7.1506 7.5707 7.5782 7.5969 7.6026 7.9595 7.9611 8.5966 8.5990 9.2270 9.2282 9.4164 9.4173 9.4660 9.4662 13.5169 13.5181 14.2015 14.2057 14.2696 14.2760 15.7742 15.7793 k = 0.5010 0.1767 0.1762 ( 2746 PWs) bands (ev): -45.9074 -45.9074 -22.6519 -22.6509 -22.0135 -22.0125 -21.9859 -21.9858 -14.2415 -14.2415 -6.4472 -6.4466 -5.7409 -5.7408 -5.6357 -5.6348 -0.8528 -0.8471 0.9486 0.9513 1.1793 1.1869 6.3656 6.3699 7.1137 7.1166 7.5515 7.5613 7.5796 7.5849 7.9514 7.9532 8.5374 8.5395 9.2320 9.2329 9.4600 9.4611 9.5001 9.5002 13.5685 13.5697 14.2127 14.2169 14.2793 14.2855 15.8558 15.8608 k = 0.5010 0.1856 0.1851 ( 2746 PWs) bands (ev): -45.9073 -45.9073 -22.6526 -22.6516 -22.0139 -22.0129 -21.9872 -21.9871 -14.2378 -14.2378 -6.4207 -6.4200 -5.7362 -5.7361 -5.6415 -5.6405 -0.8688 -0.8621 0.9217 0.9249 1.1631 1.1725 6.3626 6.3661 7.0818 7.0871 7.5308 7.5430 7.5604 7.5653 7.9436 7.9455 8.4797 8.4814 9.2393 9.2401 9.5033 9.5047 9.5342 9.5343 13.6204 13.6216 14.2250 14.2291 14.2900 14.2962 15.9383 15.9432 k = 0.5011 0.1945 0.1940 ( 2740 PWs) bands (ev): -45.9072 -45.9072 -22.6532 -22.6523 -22.0142 -22.0132 -21.9885 -21.9885 -14.2340 -14.2340 -6.3933 -6.3925 -5.7313 -5.7312 -5.6469 -5.6459 -0.8857 -0.8780 0.8939 0.8976 1.1448 1.1560 6.3597 6.3624 7.0546 7.0625 7.5085 7.5230 7.5392 7.5434 7.9359 7.9379 8.4241 8.4255 9.2499 9.2506 9.5441 9.5460 9.5697 9.5697 13.6724 13.6737 14.2382 14.2424 14.3020 14.3080 16.0214 16.0262 k = 0.5011 0.2034 0.2029 ( 2742 PWs) bands (ev): -45.9072 -45.9072 -22.6540 -22.6530 -22.0146 -22.0136 -21.9899 -21.9898 -14.2302 -14.2302 -6.3651 -6.3643 -5.7263 -5.7262 -5.6518 -5.6508 -0.9037 -0.8950 0.8655 0.8696 1.1245 1.1375 6.3567 6.3586 7.0323 7.0429 7.4846 7.5008 7.5165 7.5194 7.9282 7.9304 8.3714 8.3723 9.2640 9.2645 9.5805 9.5827 9.6083 9.6083 13.7244 13.7258 14.2524 14.2566 14.3151 14.3209 16.1048 16.1095 k = 0.5012 0.2123 0.2117 ( 2740 PWs) bands (ev): -45.9071 -45.9071 -22.6547 -22.6537 -22.0150 -22.0139 -21.9913 -21.9912 -14.2263 -14.2263 -6.3363 -6.3354 -5.7213 -5.7211 -5.6563 -5.6553 -0.9225 -0.9128 0.8364 0.8409 1.1019 1.1167 6.3538 6.3548 7.0149 7.0284 7.4589 7.4762 7.4923 7.4931 7.9205 7.9228 8.3221 8.3226 9.2818 9.2822 9.6130 9.6152 9.6492 9.6494 13.7762 13.7776 14.2676 14.2717 14.3293 14.3350 16.1881 16.1927 k = 0.5012 0.2212 0.2206 ( 2736 PWs) bands (ev): -45.9071 -45.9071 -22.6554 -22.6544 -22.0154 -22.0143 -21.9927 -21.9926 -14.2223 -14.2223 -6.3069 -6.3059 -5.7162 -5.7160 -5.6602 -5.6591 -0.9423 -0.9315 0.8069 0.8118 1.0771 1.0937 6.3507 6.3508 7.0024 7.0191 7.4313 7.4490 7.4647 7.4669 7.9128 7.9152 8.2767 8.2770 9.3031 9.3034 9.6431 9.6455 9.6907 9.6911 13.8275 13.8290 14.2837 14.2877 14.3446 14.3501 16.2711 16.2756 k = 0.5013 0.2301 0.2295 ( 2737 PWs) bands (ev): -45.9070 -45.9070 -22.6562 -22.6552 -22.0158 -22.0147 -21.9941 -21.9940 -14.2184 -14.2183 -6.2769 -6.2759 -5.7111 -5.7108 -5.6636 -5.6624 -0.9629 -0.9511 0.7771 0.7823 1.0500 1.0684 6.3466 6.3473 6.9946 7.0147 7.4020 7.4195 7.4343 7.4403 7.9050 7.9075 8.2359 8.2359 9.3278 9.3280 9.6720 9.6744 9.7317 9.7323 13.8784 13.8799 14.3007 14.3046 14.3609 14.3662 16.3532 16.3576 k = 0.5013 0.2390 0.2384 ( 2738 PWs) bands (ev): -45.9070 -45.9070 -22.6570 -22.6560 -22.0162 -22.0151 -21.9955 -21.9954 -14.2144 -14.2143 -6.2465 -6.2454 -5.7061 -5.7057 -5.6663 -5.6651 -0.9843 -0.9714 0.7470 0.7526 1.0208 1.0409 6.3421 6.3435 6.9911 7.0150 7.3711 7.3878 7.4022 7.4127 7.8972 7.8996 8.1998 8.1999 9.3558 9.3558 9.7000 9.7025 9.7718 9.7724 13.9285 13.9300 14.3185 14.3223 14.3782 14.3833 16.4342 16.4385 k = 0.5014 0.2479 0.2473 ( 2733 PWs) bands (ev): -45.9069 -45.9069 -22.6577 -22.6567 -22.0165 -22.0155 -21.9969 -21.9968 -14.2104 -14.2103 -6.2157 -6.2145 -5.7011 -5.7006 -5.6683 -5.6671 -1.0063 -0.9924 0.7168 0.7226 0.9895 1.0112 6.3373 6.3393 6.9912 7.0194 7.3387 7.3545 7.3689 7.3845 7.8894 7.8917 8.1688 8.1690 9.3867 9.3867 9.7273 9.7298 9.8106 9.8113 13.9778 13.9793 14.3371 14.3408 14.3965 14.4014 16.5137 16.5178 k = 0.5014 0.2568 0.2561 ( 2737 PWs) bands (ev): -45.9069 -45.9069 -22.6585 -22.6575 -22.0170 -22.0159 -21.9984 -21.9983 -14.2064 -14.2064 -6.1846 -6.1833 -5.6962 -5.6956 -5.6696 -5.6682 -1.0289 -1.0140 0.6865 0.6927 0.9563 0.9795 6.3320 6.3346 6.9940 7.0268 7.3054 7.3198 7.3351 7.3564 7.8818 7.8838 8.1429 8.1430 9.4202 9.4203 9.7540 9.7567 9.8480 9.8489 14.0260 14.0276 14.3564 14.3600 14.4156 14.4202 16.5912 16.5952 k = 0.5015 0.2658 0.2650 ( 2736 PWs) bands (ev): -45.9068 -45.9068 -22.6592 -22.6582 -22.0173 -22.0163 -21.9998 -21.9997 -14.2024 -14.2024 -6.1534 -6.1520 -5.6917 -5.6909 -5.6700 -5.6685 -1.0521 -1.0363 0.6564 0.6628 0.9214 0.9460 6.3263 6.3292 6.9979 7.0356 7.2719 7.2841 7.3021 7.3301 7.8747 7.8761 8.1219 8.1219 9.4561 9.4563 9.7803 9.7830 9.8840 9.8850 14.0732 14.0748 14.3763 14.3799 14.4354 14.4398 16.6662 16.6700 k = 0.5015 0.2747 0.2739 ( 2734 PWs) bands (ev): -45.9067 -45.9067 -22.6600 -22.6590 -22.0177 -22.0167 -22.0012 -22.0011 -14.1985 -14.1985 -6.1220 -6.1206 -5.6875 -5.6865 -5.6695 -5.6678 -1.0757 -1.0590 0.6264 0.6330 0.8849 0.9108 6.3200 6.3231 7.0009 7.0430 7.2385 7.2477 7.2728 7.3074 7.8683 7.8688 8.1051 8.1052 9.4941 9.4944 9.8063 9.8090 9.9185 9.9195 14.1191 14.1207 14.3969 14.4004 14.4558 14.4601 16.7381 16.7418 k = 0.5016 0.2836 0.2828 ( 2740 PWs) bands (ev): -45.9067 -45.9067 -22.6608 -22.6598 -22.0181 -22.0171 -22.0026 -22.0025 -14.1946 -14.1946 -6.0907 -6.0892 -5.6838 -5.6827 -5.6678 -5.6661 -1.0997 -1.0821 0.5968 0.6035 0.8470 0.8741 6.3130 6.3162 7.0004 7.0445 7.2050 7.2110 7.2522 7.2911 7.8622 7.8629 8.0921 8.0924 9.5339 9.5343 9.8320 9.8347 9.9514 9.9525 14.1637 14.1653 14.4181 14.4214 14.4768 14.4809 16.8065 16.8100 k = 0.5016 0.2925 0.2917 ( 2742 PWs) bands (ev): -45.9066 -45.9066 -22.6615 -22.6605 -22.0185 -22.0175 -22.0040 -22.0038 -14.1908 -14.1907 -6.0595 -6.0579 -5.6807 -5.6796 -5.6650 -5.6633 -1.1240 -1.1056 0.5675 0.5743 0.8081 0.8361 6.3053 6.3084 6.9938 7.0358 7.1706 7.1743 7.2459 7.2837 7.8566 7.8588 8.0826 8.0830 9.5752 9.5757 9.8574 9.8602 9.9827 9.9839 14.2069 14.2083 14.4397 14.4429 14.4983 14.5021 16.8706 16.8740 k = 0.5017 0.3014 0.3005 ( 2742 PWs) bands (ev): -45.9066 -45.9066 -22.6622 -22.6613 -22.0189 -22.0179 -22.0053 -22.0052 -14.1870 -14.1870 -6.0284 -6.0268 -5.6778 -5.6767 -5.6613 -5.6597 -1.1484 -1.1293 0.5387 0.5456 0.7683 0.7972 6.2966 6.2996 6.9800 7.0159 7.1354 7.1377 7.2548 7.2865 7.8522 7.8562 8.0758 8.0763 9.6177 9.6183 9.8827 9.8854 10.0124 10.0136 14.2484 14.2498 14.4618 14.4648 14.5200 14.5236 16.9298 16.9330 k = 0.5017 0.3103 0.3094 ( 2742 PWs) bands (ev): -45.9065 -45.9065 -22.6630 -22.6620 -22.0192 -22.0183 -22.0067 -22.0065 -14.1833 -14.1833 -5.9977 -5.9960 -5.6750 -5.6740 -5.6570 -5.6555 -1.1728 -1.1531 0.5105 0.5175 0.7280 0.7576 6.2869 6.2897 6.9595 6.9881 7.0999 7.1014 7.2753 7.2988 7.8492 7.8553 8.0713 8.0719 9.6611 9.6617 9.9078 9.9105 10.0405 10.0418 14.2882 14.2896 14.4843 14.4872 14.5419 14.5453 16.9832 16.9862 k = 0.5018 0.3192 0.3183 ( 2744 PWs) bands (ev): -45.9065 -45.9065 -22.6637 -22.6627 -22.0196 -22.0187 -22.0079 -22.0078 -14.1797 -14.1797 -5.9673 -5.9656 -5.6721 -5.6711 -5.6524 -5.6511 -1.1972 -1.1771 0.4830 0.4899 0.6874 0.7175 6.2762 6.2786 6.9345 6.9565 7.0646 7.0657 7.3031 7.3186 7.8479 7.8564 8.0687 8.0693 9.7050 9.7058 9.9327 9.9354 10.0670 10.0684 14.3263 14.3276 14.5072 14.5098 14.5638 14.5670 17.0302 17.0329 k = 0.5018 0.3281 0.3272 ( 2740 PWs) bands (ev): -45.9064 -45.9064 -22.6643 -22.6634 -22.0199 -22.0191 -22.0092 -22.0090 -14.1762 -14.1762 -5.9375 -5.9358 -5.6689 -5.6680 -5.6478 -5.6465 -1.2215 -1.2009 0.4562 0.4631 0.6468 0.6772 6.2641 6.2663 6.9069 6.9237 7.0299 7.0307 7.3352 7.3436 7.8484 7.8595 8.0677 8.0683 9.7492 9.7501 9.9576 9.9602 10.0919 10.0933 14.3625 14.3636 14.5303 14.5328 14.5857 14.5886 17.0699 17.0724 k = 0.5018 0.3370 0.3361 ( 2744 PWs) bands (ev): -45.9064 -45.9064 -22.6650 -22.6641 -22.0203 -22.0195 -22.0104 -22.0102 -14.1729 -14.1729 -5.9084 -5.9067 -5.6656 -5.6646 -5.6431 -5.6419 -1.2455 -1.2247 0.4303 0.4371 0.6065 0.6369 6.2508 6.2527 6.8786 6.8914 6.9959 6.9966 7.3697 7.3718 7.8510 7.8648 8.0679 8.0685 9.7935 9.7945 9.9824 9.9849 10.1153 10.1168 14.3967 14.3977 14.5537 14.5559 14.6073 14.6101 17.1017 17.1040 k = 0.5019 0.3459 0.3449 ( 2744 PWs) bands (ev): -45.9063 -45.9063 -22.6656 -22.6648 -22.0206 -22.0198 -22.0116 -22.0113 -14.1696 -14.1696 -5.8799 -5.8783 -5.6619 -5.6609 -5.6385 -5.6373 -1.2691 -1.2482 0.4053 0.4120 0.5668 0.5971 6.2362 6.2377 6.8509 6.8605 6.9629 6.9634 7.4016 7.4048 7.8559 7.8724 8.0691 8.0697 9.8374 9.8385 10.0070 10.0094 10.1371 10.1387 14.4290 14.4297 14.5772 14.5791 14.6287 14.6312 17.1252 17.1274 k = 0.5019 0.3548 0.3538 ( 2744 PWs) bands (ev): -45.9063 -45.9063 -22.6662 -22.6654 -22.0209 -22.0202 -22.0127 -22.0124 -14.1665 -14.1665 -5.8523 -5.8508 -5.6581 -5.6569 -5.6339 -5.6328 -1.2922 -1.2713 0.3813 0.3878 0.5278 0.5579 6.2203 6.2215 6.8244 6.8317 6.9310 6.9315 7.4316 7.4396 7.8632 7.8824 8.0711 8.0717 9.8808 9.8820 10.0315 10.0338 10.1574 10.1591 14.4591 14.4597 14.6006 14.6024 14.6495 14.6518 17.1405 17.1425 k = 0.5020 0.3637 0.3627 ( 2741 PWs) bands (ev): -45.9062 -45.9062 -22.6668 -22.6660 -22.0212 -22.0206 -22.0137 -22.0134 -14.1635 -14.1635 -5.8257 -5.8242 -5.6540 -5.6527 -5.6295 -5.6284 -1.3147 -1.2940 0.3583 0.3647 0.4900 0.5195 6.2032 6.2042 6.7999 6.8054 6.9004 6.9008 7.4609 7.4729 7.8733 7.8949 8.0737 8.0744 9.9233 9.9247 10.0558 10.0580 10.1762 10.1780 14.4872 14.4876 14.6240 14.6255 14.6698 14.6719 17.1478 17.1498 k = 0.5020 0.3726 0.3716 ( 2741 PWs) bands (ev): -45.9062 -45.9062 -22.6673 -22.6666 -22.0215 -22.0209 -22.0147 -22.0144 -14.1607 -14.1607 -5.8002 -5.7988 -5.6498 -5.6483 -5.6252 -5.6241 -1.3365 -1.3160 0.3366 0.3427 0.4535 0.4823 6.1852 6.1859 6.7776 6.7817 6.8712 6.8716 7.4887 7.5039 7.8861 7.9097 8.0767 8.0775 9.9647 9.9663 10.0798 10.0818 10.1936 10.1955 14.5132 14.5134 14.6470 14.6483 14.6893 14.6913 17.1478 17.1498 k = 0.5021 0.3815 0.3805 ( 2743 PWs) bands (ev): -45.9062 -45.9062 -22.6679 -22.6672 -22.0218 -22.0213 -22.0156 -22.0153 -14.1580 -14.1580 -5.7758 -5.7747 -5.6455 -5.6438 -5.6211 -5.6200 -1.3574 -1.3374 0.3160 0.3218 0.4186 0.4465 6.1664 6.1669 6.7576 6.7606 6.8435 6.8438 7.5143 7.5320 7.9019 7.9267 8.0801 8.0809 10.0046 10.0064 10.1034 10.1053 10.2096 10.2117 14.5372 14.5373 14.6696 14.6706 14.7081 14.7098 17.1416 17.1438 k = 0.5021 0.3904 0.3893 ( 2744 PWs) bands (ev): -45.9061 -45.9061 -22.6683 -22.6677 -22.0221 -22.0216 -22.0164 -22.0161 -14.1555 -14.1555 -5.7528 -5.7519 -5.6411 -5.6393 -5.6172 -5.6161 -1.3773 -1.3579 0.2967 0.3022 0.3854 0.4122 6.1473 6.1476 6.7400 6.7422 6.8174 6.8178 7.5373 7.5566 7.9202 7.9456 8.0836 8.0847 10.0429 10.0449 10.1265 10.1283 10.2243 10.2265 14.5592 14.5593 14.6914 14.6923 14.7259 14.7275 17.1303 17.1329 k = 0.5022 0.3993 0.3982 ( 2744 PWs) bands (ev): -45.9061 -45.9061 -22.6688 -22.6682 -22.0224 -22.0220 -22.0172 -22.0169 -14.1532 -14.1532 -5.7311 -5.7306 -5.6368 -5.6347 -5.6134 -5.6123 -1.3961 -1.3775 0.2787 0.2839 0.3543 0.3797 6.1280 6.1283 6.7246 6.7262 6.7931 6.7934 7.5578 7.5778 7.9407 7.9658 8.0873 8.0886 10.0792 10.0815 10.1489 10.1506 10.2376 10.2400 14.5792 14.5794 14.7123 14.7130 14.7427 14.7441 17.1152 17.1182 k = 0.5022 0.4082 0.4071 ( 2744 PWs) bands (ev): -45.9061 -45.9061 -22.6692 -22.6687 -22.0226 -22.0223 -22.0179 -22.0176 -14.1511 -14.1511 -5.7111 -5.7109 -5.6326 -5.6301 -5.6099 -5.6088 -1.4136 -1.3960 0.2622 0.2670 0.3253 0.3492 6.1091 6.1092 6.7113 6.7124 6.7706 6.7709 7.5757 7.5955 7.9628 7.9868 8.0911 8.0926 10.1133 10.1159 10.1705 10.1721 10.2497 10.2522 14.5974 14.5977 14.7321 14.7326 14.7584 14.7596 17.0974 17.1011 k = 0.5023 0.4171 0.4160 ( 2742 PWs) bands (ev): -45.9060 -45.9060 -22.6696 -22.6691 -22.0229 -22.0227 -22.0185 -22.0181 -14.1491 -14.1491 -5.6929 -5.6926 -5.6284 -5.6255 -5.6066 -5.6055 -1.4298 -1.4134 0.2470 0.2514 0.2987 0.3209 6.0907 6.0908 6.7000 6.7007 6.7500 6.7502 7.5911 7.6101 7.9856 8.0079 8.0948 8.0967 10.1449 10.1478 10.1911 10.1927 10.2606 10.2633 14.6139 14.6142 14.7506 14.7510 14.7729 14.7740 17.0781 17.0824 k = 0.5023 0.4260 0.4249 ( 2744 PWs) bands (ev): -45.9060 -45.9060 -22.6699 -22.6695 -22.0232 -22.0230 -22.0191 -22.0187 -14.1473 -14.1473 -5.6768 -5.6761 -5.6243 -5.6211 -5.6034 -5.6024 -1.4446 -1.4294 0.2334 0.2373 0.2746 0.2949 6.0734 6.0734 6.6904 6.6909 6.7314 6.7316 7.6042 7.6220 8.0084 8.0282 8.0985 8.1009 10.1737 10.1770 10.2105 10.2121 10.2702 10.2732 14.6286 14.6290 14.7676 14.7679 14.7862 14.7871 17.0581 17.0630 k = 0.5024 0.4349 0.4337 ( 2752 PWs) bands (ev): -45.9060 -45.9060 -22.6703 -22.6699 -22.0234 -22.0233 -22.0196 -22.0192 -14.1457 -14.1457 -5.6628 -5.6615 -5.6203 -5.6166 -5.6006 -5.5996 -1.4578 -1.4440 0.2212 0.2247 0.2532 0.2714 6.0573 6.0573 6.6823 6.6826 6.7148 6.7149 7.6154 7.6315 8.0302 8.0471 8.1021 8.1053 10.1995 10.2033 10.2285 10.2301 10.2788 10.2820 14.6416 14.6420 14.7829 14.7831 14.7982 14.7989 17.0383 17.0434 k = 0.5024 0.4438 0.4426 ( 2752 PWs) bands (ev): -45.9060 -45.9060 -22.6705 -22.6702 -22.0237 -22.0236 -22.0200 -22.0196 -14.1444 -14.1443 -5.6510 -5.6491 -5.6162 -5.6123 -5.5980 -5.5970 -1.4693 -1.4571 0.2106 0.2136 0.2345 0.2505 6.0428 6.0428 6.6756 6.6758 6.7002 6.7003 7.6248 7.6390 8.0504 8.0637 8.1057 8.1099 10.2220 10.2263 10.2449 10.2466 10.2863 10.2897 14.6529 14.6533 14.7965 14.7966 14.8088 14.8093 17.0196 17.0239 k = 0.5025 0.4527 0.4515 ( 2758 PWs) bands (ev): -45.9060 -45.9060 -22.6708 -22.6705 -22.0239 -22.0239 -22.0203 -22.0200 -14.1432 -14.1432 -5.6414 -5.6392 -5.6121 -5.6079 -5.5956 -5.5948 -1.4791 -1.4686 0.2016 0.2040 0.2187 0.2323 6.0300 6.0300 6.6702 6.6703 6.6877 6.6879 7.6326 7.6447 8.0680 8.0773 8.1095 8.1151 10.2410 10.2456 10.2597 10.2614 10.2928 10.2964 14.6626 14.6629 14.8081 14.8081 14.8180 14.8184 17.0024 17.0053 k = 0.5025 0.4616 0.4604 ( 2774 PWs) bands (ev): -45.9059 -45.9059 -22.6710 -22.6708 -22.0242 -22.0241 -22.0206 -22.0203 -14.1422 -14.1422 -5.6341 -5.6318 -5.6077 -5.6039 -5.5935 -5.5928 -1.4871 -1.4784 0.1942 0.1960 0.2058 0.2169 6.0193 6.0193 6.6659 6.6660 6.6774 6.6775 7.6390 7.6490 8.0822 8.0875 8.1139 8.1208 10.2563 10.2609 10.2728 10.2742 10.2984 10.3021 14.6705 14.6708 14.8175 14.8177 14.8259 14.8260 16.9875 16.9886 k = 0.5026 0.4705 0.4693 ( 2790 PWs) bands (ev): -45.9059 -45.9059 -22.6712 -22.6710 -22.0244 -22.0244 -22.0208 -22.0206 -14.1414 -14.1414 -5.6288 -5.6268 -5.6035 -5.6004 -5.5916 -5.5912 -1.4932 -1.4863 0.1884 0.1896 0.1960 0.2045 6.0107 6.0107 6.6626 6.6627 6.6693 6.6694 7.6441 7.6519 8.0922 8.0944 8.1192 8.1265 10.2680 10.2721 10.2838 10.2847 10.3032 10.3068 14.6768 14.6770 14.8249 14.8251 14.8323 14.8323 16.9751 16.9753 k = 0.5026 0.4795 0.4781 ( 2800 PWs) bands (ev): -45.9059 -45.9059 -22.6713 -22.6712 -22.0246 -22.0246 -22.0210 -22.0208 -14.1409 -14.1409 -5.6252 -5.6237 -5.6000 -5.5978 -5.5900 -5.5898 -1.4974 -1.4925 0.1843 0.1848 0.1892 0.1950 6.0043 6.0043 6.6602 6.6603 6.6635 6.6635 7.6481 7.6536 8.0982 8.0988 8.1249 8.1311 10.2765 10.2796 10.2921 10.2924 10.3074 10.3103 14.6814 14.6815 14.8301 14.8303 14.8370 14.8371 16.9656 16.9660 k = 0.5027 0.4884 0.4870 ( 2800 PWs) bands (ev): -45.9059 -45.9059 -22.6714 -22.6713 -22.0247 -22.0247 -22.0210 -22.0209 -14.1405 -14.1405 -5.6230 -5.6221 -5.5976 -5.5963 -5.5888 -5.5888 -1.4996 -1.4967 0.1817 0.1818 0.1854 0.1887 6.0004 6.0004 6.6586 6.6586 6.6600 6.6600 7.6510 7.6543 8.1012 8.1013 8.1297 8.1337 10.2818 10.2837 10.2972 10.2973 10.3106 10.3125 14.6842 14.6844 14.8334 14.8335 14.8401 14.8401 16.9598 16.9602 k = 0.5027 0.4973 0.4959 ( 2800 PWs) bands (ev): -45.9059 -45.9059 -22.6714 -22.6714 -22.0247 -22.0247 -22.0210 -22.0210 -14.1404 -14.1404 -5.6220 -5.6218 -5.5964 -5.5960 -5.5883 -5.5883 -1.4999 -1.4990 0.1807 0.1807 0.1845 0.1855 5.9988 5.9988 6.6577 6.6577 6.6588 6.6588 7.6528 7.6539 8.1024 8.1024 8.1325 8.1338 10.2842 10.2848 10.2991 10.2991 10.3125 10.3131 14.6854 14.6855 14.8346 14.8346 14.8413 14.8413 16.9578 16.9578 Writing output data file BaTiO3.save init_run : 2.78s CPU 12.47s WALL ( 1 calls) electrons : 1259.70s CPU 1359.26s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.24s CPU 2.12s WALL ( 1 calls) Called by electrons: c_bands : 1259.66s CPU 1358.94s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.99s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.05s CPU 0.65s WALL ( 1 calls) newd : 0.42s CPU 0.58s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.20s WALL ( 328 calls) cegterg : 1189.22s CPU 1273.12s WALL ( 1163 calls) Called by sum_band: Called by *egterg: h_psi : 603.56s CPU 674.78s WALL ( 21855 calls) s_psi : 25.39s CPU 28.14s WALL ( 21855 calls) g_psi : 0.52s CPU 0.57s WALL ( 20364 calls) cdiaghg : 347.30s CPU 352.51s WALL ( 20692 calls) cegterg:over : 131.54s CPU 139.18s WALL ( 20364 calls) cegterg:upda : 6.54s CPU 11.85s WALL ( 20364 calls) cegterg:last : 6.41s CPU 7.82s WALL ( 2529 calls) Called by h_psi: h_psi:vloc : 532.92s CPU 595.66s WALL ( 21855 calls) h_psi:vnl : 70.42s CPU 78.37s WALL ( 21855 calls) add_vuspsi : 15.80s CPU 21.16s WALL ( 21855 calls) General routines calbec : 54.56s CPU 57.06s WALL ( 21855 calls) fft : 0.33s CPU 1.27s WALL ( 19 calls) ffts : 0.01s CPU 0.62s WALL ( 4 calls) fftw : 522.68s CPU 575.56s WALL ( 1407372 calls) interpolate : 0.07s CPU 0.69s WALL ( 4 calls) davcio : 0.06s CPU 2.16s WALL ( 656 calls) Parallel routines fft_scatter : 479.45s CPU 516.91s WALL ( 1407395 calls) PWSCF : 22m53.43s CPU 25m59.40s WALL This run was terminated on: 15:15:23 11Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=