Program PWSCF v.5.1.1 starts on 11Oct2015 at 14: 7:23 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 2103 449 76 Max 55 20 7 2108 464 80 Sum 2617 949 293 101019 21975 3731 bravais-lattice index = 14 lattice parameter (alat) = 7.5657 a.u. unit-cell volume = 433.0554 (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)= 7.565707 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.002810 celldm(5)= 0.002810 celldm(6)= 0.002810 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.002810 0.999996 0.000000 ) a(3) = ( 0.002810 0.002802 0.999992 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.002810 -0.002802 ) b(2) = ( 0.000000 1.000004 -0.002802 ) b(3) = ( 0.000000 0.000000 1.000008 ) 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 -0.0000351 -0.0000350), wk = 0.0030488 k( 3) = ( 0.0250000 -0.0000702 -0.0000701), wk = 0.0030488 k( 4) = ( 0.0375000 -0.0001054 -0.0001051), wk = 0.0030488 k( 5) = ( 0.0500000 -0.0001405 -0.0001401), wk = 0.0030488 k( 6) = ( 0.0625000 -0.0001756 -0.0001751), wk = 0.0030488 k( 7) = ( 0.0750000 -0.0002107 -0.0002102), wk = 0.0030488 k( 8) = ( 0.0875000 -0.0002459 -0.0002452), wk = 0.0030488 k( 9) = ( 0.1000000 -0.0002810 -0.0002802), wk = 0.0030488 k( 10) = ( 0.1125000 -0.0003161 -0.0003152), wk = 0.0030488 k( 11) = ( 0.1250000 -0.0003512 -0.0003503), wk = 0.0030488 k( 12) = ( 0.1375000 -0.0003864 -0.0003853), wk = 0.0030488 k( 13) = ( 0.1500000 -0.0004215 -0.0004203), wk = 0.0030488 k( 14) = ( 0.1625000 -0.0004566 -0.0004553), wk = 0.0030488 k( 15) = ( 0.1750000 -0.0004917 -0.0004904), wk = 0.0030488 k( 16) = ( 0.1875000 -0.0005269 -0.0005254), wk = 0.0030488 k( 17) = ( 0.2000000 -0.0005620 -0.0005604), wk = 0.0030488 k( 18) = ( 0.2125000 -0.0005971 -0.0005955), wk = 0.0030488 k( 19) = ( 0.2250000 -0.0006322 -0.0006305), wk = 0.0030488 k( 20) = ( 0.2375000 -0.0006674 -0.0006655), wk = 0.0030488 k( 21) = ( 0.2500000 -0.0007025 -0.0007005), wk = 0.0030488 k( 22) = ( 0.2625000 -0.0007376 -0.0007356), wk = 0.0030488 k( 23) = ( 0.2750000 -0.0007727 -0.0007706), wk = 0.0030488 k( 24) = ( 0.2875000 -0.0008079 -0.0008056), wk = 0.0030488 k( 25) = ( 0.3000000 -0.0008430 -0.0008406), wk = 0.0030488 k( 26) = ( 0.3125000 -0.0008781 -0.0008757), wk = 0.0030488 k( 27) = ( 0.3250000 -0.0009132 -0.0009107), wk = 0.0030488 k( 28) = ( 0.3375000 -0.0009484 -0.0009457), wk = 0.0030488 k( 29) = ( 0.3500000 -0.0009835 -0.0009807), wk = 0.0030488 k( 30) = ( 0.3625000 -0.0010186 -0.0010158), wk = 0.0030488 k( 31) = ( 0.3750000 -0.0010537 -0.0010508), wk = 0.0030488 k( 32) = ( 0.3875000 -0.0010889 -0.0010858), wk = 0.0030488 k( 33) = ( 0.4000000 -0.0011240 -0.0011208), wk = 0.0030488 k( 34) = ( 0.4125000 -0.0011591 -0.0011559), wk = 0.0030488 k( 35) = ( 0.4250000 -0.0011942 -0.0011909), wk = 0.0030488 k( 36) = ( 0.4375000 -0.0012294 -0.0012259), wk = 0.0030488 k( 37) = ( 0.4500000 -0.0012645 -0.0012610), wk = 0.0030488 k( 38) = ( 0.4625000 -0.0012996 -0.0012960), wk = 0.0030488 k( 39) = ( 0.4750000 -0.0013347 -0.0013310), wk = 0.0030488 k( 40) = ( 0.4875000 -0.0013699 -0.0013660), wk = 0.0030488 k( 41) = ( 0.5000000 -0.0014050 -0.0014011), wk = 0.0030488 k( 42) = ( 0.5000000 -0.0014050 -0.0014011), wk = 0.0030488 k( 43) = ( 0.5000000 0.0074737 -0.0103047), wk = 0.0030488 k( 44) = ( 0.5000000 0.0163524 -0.0192083), wk = 0.0030488 k( 45) = ( 0.5000000 0.0252311 -0.0281119), wk = 0.0030488 k( 46) = ( 0.5000000 0.0341098 -0.0370155), wk = 0.0030488 k( 47) = ( 0.5000000 0.0429886 -0.0459192), wk = 0.0030488 k( 48) = ( 0.5000000 0.0518673 -0.0548228), wk = 0.0030488 k( 49) = ( 0.5000000 0.0607460 -0.0637264), wk = 0.0030488 k( 50) = ( 0.5000000 0.0696247 -0.0726300), wk = 0.0030488 k( 51) = ( 0.5000000 0.0785034 -0.0815337), wk = 0.0030488 k( 52) = ( 0.5000000 0.0873821 -0.0904373), wk = 0.0030488 k( 53) = ( 0.5000000 0.0962608 -0.0993409), wk = 0.0030488 k( 54) = ( 0.5000000 0.1051395 -0.1082445), wk = 0.0030488 k( 55) = ( 0.5000000 0.1140182 -0.1171482), wk = 0.0030488 k( 56) = ( 0.5000000 0.1228969 -0.1260518), wk = 0.0030488 k( 57) = ( 0.5000000 0.1317756 -0.1349554), wk = 0.0030488 k( 58) = ( 0.5000000 0.1406543 -0.1438590), wk = 0.0030488 k( 59) = ( 0.5000000 0.1495331 -0.1527626), wk = 0.0030488 k( 60) = ( 0.5000000 0.1584118 -0.1616663), wk = 0.0030488 k( 61) = ( 0.5000000 0.1672905 -0.1705699), wk = 0.0030488 k( 62) = ( 0.5000000 0.1761692 -0.1794735), wk = 0.0030488 k( 63) = ( 0.5000000 0.1850479 -0.1883771), wk = 0.0030488 k( 64) = ( 0.5000000 0.1939266 -0.1972808), wk = 0.0030488 k( 65) = ( 0.5000000 0.2028053 -0.2061844), wk = 0.0030488 k( 66) = ( 0.5000000 0.2116840 -0.2150880), wk = 0.0030488 k( 67) = ( 0.5000000 0.2205627 -0.2239916), wk = 0.0030488 k( 68) = ( 0.5000000 0.2294414 -0.2328953), wk = 0.0030488 k( 69) = ( 0.5000000 0.2383201 -0.2417989), wk = 0.0030488 k( 70) = ( 0.5000000 0.2471988 -0.2507025), wk = 0.0030488 k( 71) = ( 0.5000000 0.2560776 -0.2596061), wk = 0.0030488 k( 72) = ( 0.5000000 0.2649563 -0.2685097), wk = 0.0030488 k( 73) = ( 0.5000000 0.2738350 -0.2774134), wk = 0.0030488 k( 74) = ( 0.5000000 0.2827137 -0.2863170), wk = 0.0030488 k( 75) = ( 0.5000000 0.2915924 -0.2952206), wk = 0.0030488 k( 76) = ( 0.5000000 0.3004711 -0.3041242), wk = 0.0030488 k( 77) = ( 0.5000000 0.3093498 -0.3130279), wk = 0.0030488 k( 78) = ( 0.5000000 0.3182285 -0.3219315), wk = 0.0030488 k( 79) = ( 0.5000000 0.3271072 -0.3308351), wk = 0.0030488 k( 80) = ( 0.5000000 0.3359859 -0.3397387), wk = 0.0030488 k( 81) = ( 0.5000000 0.3448646 -0.3486423), wk = 0.0030488 k( 82) = ( 0.5000000 0.3537434 -0.3575460), wk = 0.0030488 k( 83) = ( 0.5000000 0.3626221 -0.3664496), wk = 0.0030488 k( 84) = ( 0.5000000 0.3715008 -0.3753532), wk = 0.0030488 k( 85) = ( 0.5000000 0.3803795 -0.3842568), wk = 0.0030488 k( 86) = ( 0.5000000 0.3892582 -0.3931605), wk = 0.0030488 k( 87) = ( 0.5000000 0.3981369 -0.4020641), wk = 0.0030488 k( 88) = ( 0.5000000 0.4070156 -0.4109677), wk = 0.0030488 k( 89) = ( 0.5000000 0.4158943 -0.4198713), wk = 0.0030488 k( 90) = ( 0.5000000 0.4247730 -0.4287750), wk = 0.0030488 k( 91) = ( 0.5000000 0.4336517 -0.4376786), wk = 0.0030488 k( 92) = ( 0.5000000 0.4425304 -0.4465822), wk = 0.0030488 k( 93) = ( 0.5000000 0.4514092 -0.4554858), wk = 0.0030488 k( 94) = ( 0.5000000 0.4602879 -0.4643894), wk = 0.0030488 k( 95) = ( 0.5000000 0.4691666 -0.4732931), wk = 0.0030488 k( 96) = ( 0.5000000 0.4780453 -0.4821967), wk = 0.0030488 k( 97) = ( 0.5000000 0.4869240 -0.4911003), wk = 0.0030488 k( 98) = ( 0.5000000 0.4958027 -0.5000039), wk = 0.0030488 k( 99) = ( 0.5027943 0.4985891 0.4943997), wk = 0.0030488 k( 100) = ( 0.5000000 0.4985970 0.4972018), wk = 0.0030488 k( 101) = ( 0.5000000 0.4985970 0.4972018), wk = 0.0030488 k( 102) = ( 0.4926471 0.4912647 0.4898900), wk = 0.0030488 k( 103) = ( 0.4852941 0.4839324 0.4825782), wk = 0.0030488 k( 104) = ( 0.4779412 0.4766001 0.4752664), wk = 0.0030488 k( 105) = ( 0.4705882 0.4692678 0.4679547), wk = 0.0030488 k( 106) = ( 0.4632353 0.4619354 0.4606429), wk = 0.0030488 k( 107) = ( 0.4558823 0.4546031 0.4533311), wk = 0.0030488 k( 108) = ( 0.4485294 0.4472708 0.4460193), wk = 0.0030488 k( 109) = ( 0.4411765 0.4399385 0.4387075), wk = 0.0030488 k( 110) = ( 0.4338235 0.4326062 0.4313957), wk = 0.0030488 k( 111) = ( 0.4264706 0.4252739 0.4240839), wk = 0.0030488 k( 112) = ( 0.4191177 0.4179416 0.4167721), wk = 0.0030488 k( 113) = ( 0.4117647 0.4106093 0.4094603), wk = 0.0030488 k( 114) = ( 0.4044118 0.4032770 0.4021485), wk = 0.0030488 k( 115) = ( 0.3970588 0.3959447 0.3948367), wk = 0.0030488 k( 116) = ( 0.3897059 0.3886123 0.3875249), wk = 0.0030488 k( 117) = ( 0.3823529 0.3812800 0.3802131), wk = 0.0030488 k( 118) = ( 0.3750000 0.3739477 0.3729014), wk = 0.0030488 k( 119) = ( 0.3676471 0.3666154 0.3655896), wk = 0.0030488 k( 120) = ( 0.3602941 0.3592831 0.3582778), wk = 0.0030488 k( 121) = ( 0.3529412 0.3519508 0.3509660), wk = 0.0030488 k( 122) = ( 0.3455882 0.3446185 0.3436542), wk = 0.0030488 k( 123) = ( 0.3382353 0.3372862 0.3363424), wk = 0.0030488 k( 124) = ( 0.3308823 0.3299539 0.3290306), wk = 0.0030488 k( 125) = ( 0.3235294 0.3226216 0.3217188), wk = 0.0030488 k( 126) = ( 0.3161765 0.3152893 0.3144070), wk = 0.0030488 k( 127) = ( 0.3088235 0.3079570 0.3070952), wk = 0.0030488 k( 128) = ( 0.3014706 0.3006247 0.2997834), wk = 0.0030488 k( 129) = ( 0.2941177 0.2932923 0.2924717), wk = 0.0030488 k( 130) = ( 0.2867647 0.2859600 0.2851599), wk = 0.0030488 k( 131) = ( 0.2794118 0.2786277 0.2778481), wk = 0.0030488 k( 132) = ( 0.2720588 0.2712954 0.2705363), wk = 0.0030488 k( 133) = ( 0.2647059 0.2639631 0.2632245), wk = 0.0030488 k( 134) = ( 0.2573529 0.2566308 0.2559127), wk = 0.0030488 k( 135) = ( 0.2500000 0.2492985 0.2486009), wk = 0.0030488 k( 136) = ( 0.2426471 0.2419662 0.2412891), wk = 0.0030488 k( 137) = ( 0.2352941 0.2346339 0.2339773), wk = 0.0030488 k( 138) = ( 0.2279412 0.2273016 0.2266655), wk = 0.0030488 k( 139) = ( 0.2205882 0.2199693 0.2193537), wk = 0.0030488 k( 140) = ( 0.2132353 0.2126369 0.2120419), wk = 0.0030488 k( 141) = ( 0.2058823 0.2053046 0.2047302), wk = 0.0030488 k( 142) = ( 0.1985294 0.1979723 0.1974184), wk = 0.0030488 k( 143) = ( 0.1911765 0.1906400 0.1901066), wk = 0.0030488 k( 144) = ( 0.1838235 0.1833077 0.1827948), wk = 0.0030488 k( 145) = ( 0.1764706 0.1759754 0.1754830), wk = 0.0030488 k( 146) = ( 0.1691177 0.1686431 0.1681712), wk = 0.0030488 k( 147) = ( 0.1617647 0.1613108 0.1608594), wk = 0.0030488 k( 148) = ( 0.1544118 0.1539785 0.1535476), wk = 0.0030488 k( 149) = ( 0.1470588 0.1466462 0.1462358), wk = 0.0030488 k( 150) = ( 0.1397059 0.1393139 0.1389240), wk = 0.0030488 k( 151) = ( 0.1323529 0.1319816 0.1316122), wk = 0.0030488 k( 152) = ( 0.1250000 0.1246492 0.1243005), wk = 0.0030488 k( 153) = ( 0.1176471 0.1173169 0.1169887), wk = 0.0030488 k( 154) = ( 0.1102941 0.1099846 0.1096769), wk = 0.0030488 k( 155) = ( 0.1029412 0.1026523 0.1023651), wk = 0.0030488 k( 156) = ( 0.0955882 0.0953200 0.0950533), wk = 0.0030488 k( 157) = ( 0.0882353 0.0879877 0.0877415), wk = 0.0030488 k( 158) = ( 0.0808824 0.0806554 0.0804297), wk = 0.0030488 k( 159) = ( 0.0735294 0.0733231 0.0731179), wk = 0.0030488 k( 160) = ( 0.0661765 0.0659908 0.0658061), wk = 0.0030488 k( 161) = ( 0.0588235 0.0586585 0.0584943), wk = 0.0030488 k( 162) = ( 0.0514706 0.0513262 0.0511825), wk = 0.0030488 k( 163) = ( 0.0441177 0.0439939 0.0438708), wk = 0.0030488 k( 164) = ( 0.0367647 0.0366615 0.0365590), wk = 0.0030488 k( 165) = ( 0.0294118 0.0293292 0.0292472), wk = 0.0030488 k( 166) = ( 0.0220588 0.0219969 0.0219354), wk = 0.0030488 k( 167) = ( 0.0147059 0.0146646 0.0146236), wk = 0.0030488 k( 168) = ( 0.0073529 0.0073323 0.0073118), 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) = ( 0.0089036 -0.0000250 -0.0089286), wk = 0.0030488 k( 172) = ( 0.0178073 -0.0000500 -0.0178573), wk = 0.0030488 k( 173) = ( 0.0267109 -0.0000751 -0.0267859), wk = 0.0030488 k( 174) = ( 0.0356145 -0.0001001 -0.0357146), wk = 0.0030488 k( 175) = ( 0.0445181 -0.0001251 -0.0446432), wk = 0.0030488 k( 176) = ( 0.0534217 -0.0001501 -0.0535719), wk = 0.0030488 k( 177) = ( 0.0623254 -0.0001751 -0.0625005), wk = 0.0030488 k( 178) = ( 0.0712290 -0.0002002 -0.0714291), wk = 0.0030488 k( 179) = ( 0.0801326 -0.0002252 -0.0803578), wk = 0.0030488 k( 180) = ( 0.0890362 -0.0002502 -0.0892864), wk = 0.0030488 k( 181) = ( 0.0979398 -0.0002752 -0.0982151), wk = 0.0030488 k( 182) = ( 0.1068435 -0.0003002 -0.1071437), wk = 0.0030488 k( 183) = ( 0.1157471 -0.0003252 -0.1160723), wk = 0.0030488 k( 184) = ( 0.1246507 -0.0003503 -0.1250010), wk = 0.0030488 k( 185) = ( 0.1335543 -0.0003753 -0.1339296), wk = 0.0030488 k( 186) = ( 0.1424580 -0.0004003 -0.1428583), wk = 0.0030488 k( 187) = ( 0.1513616 -0.0004253 -0.1517869), wk = 0.0030488 k( 188) = ( 0.1602652 -0.0004503 -0.1607156), wk = 0.0030488 k( 189) = ( 0.1691688 -0.0004754 -0.1696442), wk = 0.0030488 k( 190) = ( 0.1780724 -0.0005004 -0.1785728), wk = 0.0030488 k( 191) = ( 0.1869761 -0.0005254 -0.1875015), wk = 0.0030488 k( 192) = ( 0.1958797 -0.0005504 -0.1964301), wk = 0.0030488 k( 193) = ( 0.2047833 -0.0005754 -0.2053588), wk = 0.0030488 k( 194) = ( 0.2136869 -0.0006005 -0.2142874), wk = 0.0030488 k( 195) = ( 0.2225906 -0.0006255 -0.2232160), wk = 0.0030488 k( 196) = ( 0.2314942 -0.0006505 -0.2321447), wk = 0.0030488 k( 197) = ( 0.2403978 -0.0006755 -0.2410733), wk = 0.0030488 k( 198) = ( 0.2493014 -0.0007005 -0.2500020), wk = 0.0030488 k( 199) = ( 0.2582050 -0.0007256 -0.2589306), wk = 0.0030488 k( 200) = ( 0.2671087 -0.0007506 -0.2678593), wk = 0.0030488 k( 201) = ( 0.2760123 -0.0007756 -0.2767879), wk = 0.0030488 k( 202) = ( 0.2849159 -0.0008006 -0.2857165), wk = 0.0030488 k( 203) = ( 0.2938195 -0.0008256 -0.2946452), wk = 0.0030488 k( 204) = ( 0.3027232 -0.0008506 -0.3035738), wk = 0.0030488 k( 205) = ( 0.3116268 -0.0008757 -0.3125025), wk = 0.0030488 k( 206) = ( 0.3205304 -0.0009007 -0.3214311), wk = 0.0030488 k( 207) = ( 0.3294340 -0.0009257 -0.3303597), wk = 0.0030488 k( 208) = ( 0.3383377 -0.0009507 -0.3392884), wk = 0.0030488 k( 209) = ( 0.3472413 -0.0009757 -0.3482170), wk = 0.0030488 k( 210) = ( 0.3561449 -0.0010008 -0.3571457), wk = 0.0030488 k( 211) = ( 0.3650485 -0.0010258 -0.3660743), wk = 0.0030488 k( 212) = ( 0.3739521 -0.0010508 -0.3750030), wk = 0.0030488 k( 213) = ( 0.3828558 -0.0010758 -0.3839316), wk = 0.0030488 k( 214) = ( 0.3917594 -0.0011008 -0.3928602), wk = 0.0030488 k( 215) = ( 0.4006630 -0.0011259 -0.4017889), wk = 0.0030488 k( 216) = ( 0.4095666 -0.0011509 -0.4107175), wk = 0.0030488 k( 217) = ( 0.4184703 -0.0011759 -0.4196462), wk = 0.0030488 k( 218) = ( 0.4273739 -0.0012009 -0.4285748), wk = 0.0030488 k( 219) = ( 0.4362775 -0.0012259 -0.4375034), wk = 0.0030488 k( 220) = ( 0.4451811 -0.0012510 -0.4464321), wk = 0.0030488 k( 221) = ( 0.4540847 -0.0012760 -0.4553607), wk = 0.0030488 k( 222) = ( 0.4629884 -0.0013010 -0.4642894), wk = 0.0030488 k( 223) = ( 0.4718920 -0.0013260 -0.4732180), wk = 0.0030488 k( 224) = ( 0.4807956 -0.0013510 -0.4821467), wk = 0.0030488 k( 225) = ( 0.4896992 -0.0013760 -0.4910753), wk = 0.0030488 k( 226) = ( 0.4986029 -0.0014011 -0.5000039), wk = 0.0030488 k( 227) = ( 0.5013971 0.4971959 -0.0028021), wk = 0.0030488 k( 228) = ( 0.5000000 0.4985970 -0.0028021), wk = 0.0030488 k( 229) = ( 0.5000000 0.4985970 -0.0028021), wk = 0.0030488 k( 230) = ( 0.5000349 0.4986318 0.0096279), wk = 0.0030488 k( 231) = ( 0.5000699 0.4986666 0.0220580), wk = 0.0030488 k( 232) = ( 0.5001048 0.4987015 0.0344880), wk = 0.0030488 k( 233) = ( 0.5001397 0.4987363 0.0469181), wk = 0.0030488 k( 234) = ( 0.5001746 0.4987711 0.0593481), wk = 0.0030488 k( 235) = ( 0.5002096 0.4988060 0.0717781), wk = 0.0030488 k( 236) = ( 0.5002445 0.4988408 0.0842082), wk = 0.0030488 k( 237) = ( 0.5002794 0.4988756 0.0966382), wk = 0.0030488 k( 238) = ( 0.5003144 0.4989105 0.1090683), wk = 0.0030488 k( 239) = ( 0.5003493 0.4989453 0.1214983), wk = 0.0030488 k( 240) = ( 0.5003842 0.4989801 0.1339284), wk = 0.0030488 k( 241) = ( 0.5004191 0.4990149 0.1463584), wk = 0.0030488 k( 242) = ( 0.5004541 0.4990498 0.1587885), wk = 0.0030488 k( 243) = ( 0.5004890 0.4990846 0.1712185), wk = 0.0030488 k( 244) = ( 0.5005239 0.4991194 0.1836486), wk = 0.0030488 k( 245) = ( 0.5005588 0.4991543 0.1960786), wk = 0.0030488 k( 246) = ( 0.5005938 0.4991891 0.2085086), wk = 0.0030488 k( 247) = ( 0.5006287 0.4992239 0.2209387), wk = 0.0030488 k( 248) = ( 0.5006636 0.4992588 0.2333687), wk = 0.0030488 k( 249) = ( 0.5006986 0.4992936 0.2457988), wk = 0.0030488 k( 250) = ( 0.5007335 0.4993284 0.2582288), wk = 0.0030488 k( 251) = ( 0.5007684 0.4993632 0.2706589), wk = 0.0030488 k( 252) = ( 0.5008033 0.4993981 0.2830889), wk = 0.0030488 k( 253) = ( 0.5008383 0.4994329 0.2955190), wk = 0.0030488 k( 254) = ( 0.5008732 0.4994677 0.3079490), wk = 0.0030488 k( 255) = ( 0.5009081 0.4995026 0.3203791), wk = 0.0030488 k( 256) = ( 0.5009431 0.4995374 0.3328091), wk = 0.0030488 k( 257) = ( 0.5009780 0.4995722 0.3452391), wk = 0.0030488 k( 258) = ( 0.5010129 0.4996071 0.3576692), wk = 0.0030488 k( 259) = ( 0.5010478 0.4996419 0.3700992), wk = 0.0030488 k( 260) = ( 0.5010828 0.4996767 0.3825293), wk = 0.0030488 k( 261) = ( 0.5011177 0.4997116 0.3949593), wk = 0.0030488 k( 262) = ( 0.5011526 0.4997464 0.4073894), wk = 0.0030488 k( 263) = ( 0.5011876 0.4997812 0.4198194), wk = 0.0030488 k( 264) = ( 0.5012225 0.4998160 0.4322495), wk = 0.0030488 k( 265) = ( 0.5012574 0.4998509 0.4446795), wk = 0.0030488 k( 266) = ( 0.5012924 0.4998857 0.4571096), wk = 0.0030488 k( 267) = ( 0.5013273 0.4999205 0.4695396), wk = 0.0030488 k( 268) = ( 0.5013622 0.4999554 0.4819696), wk = 0.0030488 k( 269) = ( 0.5013971 0.4999902 0.4943997), wk = 0.0030488 k( 270) = ( 0.5013971 0.4999902 0.4943997), wk = 0.0030488 k( 271) = ( 0.5000000 0.4985970 0.4972018), wk = 0.0030488 k( 272) = ( 0.5000000 -0.0014050 -0.0014011), wk = 0.0030488 k( 273) = ( 0.5000499 0.0074985 0.0074775), wk = 0.0030488 k( 274) = ( 0.5000998 0.0164020 0.0163562), wk = 0.0030488 k( 275) = ( 0.5001497 0.0253056 0.0252348), wk = 0.0030488 k( 276) = ( 0.5001996 0.0342091 0.0341134), wk = 0.0030488 k( 277) = ( 0.5002495 0.0431126 0.0429920), wk = 0.0030488 k( 278) = ( 0.5002994 0.0520161 0.0518706), wk = 0.0030488 k( 279) = ( 0.5003493 0.0609196 0.0607492), wk = 0.0030488 k( 280) = ( 0.5003992 0.0698231 0.0696278), wk = 0.0030488 k( 281) = ( 0.5004491 0.0787267 0.0785064), wk = 0.0030488 k( 282) = ( 0.5004990 0.0876302 0.0873850), wk = 0.0030488 k( 283) = ( 0.5005489 0.0965337 0.0962636), wk = 0.0030488 k( 284) = ( 0.5005988 0.1054372 0.1051422), wk = 0.0030488 k( 285) = ( 0.5006487 0.1143407 0.1140208), wk = 0.0030488 k( 286) = ( 0.5006986 0.1232443 0.1228994), wk = 0.0030488 k( 287) = ( 0.5007485 0.1321478 0.1317780), wk = 0.0030488 k( 288) = ( 0.5007984 0.1410513 0.1406566), wk = 0.0030488 k( 289) = ( 0.5008483 0.1499548 0.1495352), wk = 0.0030488 k( 290) = ( 0.5008982 0.1588583 0.1584138), wk = 0.0030488 k( 291) = ( 0.5009481 0.1677618 0.1672924), wk = 0.0030488 k( 292) = ( 0.5009980 0.1766654 0.1761710), wk = 0.0030488 k( 293) = ( 0.5010478 0.1855689 0.1850496), wk = 0.0030488 k( 294) = ( 0.5010978 0.1944724 0.1939282), wk = 0.0030488 k( 295) = ( 0.5011476 0.2033759 0.2028068), wk = 0.0030488 k( 296) = ( 0.5011975 0.2122794 0.2116854), wk = 0.0030488 k( 297) = ( 0.5012474 0.2211829 0.2205640), wk = 0.0030488 k( 298) = ( 0.5012973 0.2300865 0.2294426), wk = 0.0030488 k( 299) = ( 0.5013472 0.2389900 0.2383212), wk = 0.0030488 k( 300) = ( 0.5013971 0.2478935 0.2471998), wk = 0.0030488 k( 301) = ( 0.5014470 0.2567970 0.2560784), wk = 0.0030488 k( 302) = ( 0.5014969 0.2657005 0.2649571), wk = 0.0030488 k( 303) = ( 0.5015468 0.2746040 0.2738357), wk = 0.0030488 k( 304) = ( 0.5015967 0.2835076 0.2827143), wk = 0.0030488 k( 305) = ( 0.5016466 0.2924111 0.2915929), wk = 0.0030488 k( 306) = ( 0.5016965 0.3013146 0.3004715), wk = 0.0030488 k( 307) = ( 0.5017464 0.3102181 0.3093501), wk = 0.0030488 k( 308) = ( 0.5017963 0.3191216 0.3182287), wk = 0.0030488 k( 309) = ( 0.5018462 0.3280251 0.3271073), wk = 0.0030488 k( 310) = ( 0.5018961 0.3369287 0.3359859), wk = 0.0030488 k( 311) = ( 0.5019460 0.3458322 0.3448645), wk = 0.0030488 k( 312) = ( 0.5019959 0.3547357 0.3537431), wk = 0.0030488 k( 313) = ( 0.5020458 0.3636392 0.3626217), wk = 0.0030488 k( 314) = ( 0.5020957 0.3725427 0.3715003), wk = 0.0030488 k( 315) = ( 0.5021456 0.3814463 0.3803789), wk = 0.0030488 k( 316) = ( 0.5021955 0.3903498 0.3892575), wk = 0.0030488 k( 317) = ( 0.5022454 0.3992533 0.3981361), wk = 0.0030488 k( 318) = ( 0.5022953 0.4081568 0.4070147), wk = 0.0030488 k( 319) = ( 0.5023452 0.4170603 0.4158933), wk = 0.0030488 k( 320) = ( 0.5023951 0.4259638 0.4247719), wk = 0.0030488 k( 321) = ( 0.5024450 0.4348674 0.4336505), wk = 0.0030488 k( 322) = ( 0.5024949 0.4437709 0.4425291), wk = 0.0030488 k( 323) = ( 0.5025448 0.4526744 0.4514077), wk = 0.0030488 k( 324) = ( 0.5025947 0.4615779 0.4602863), wk = 0.0030488 k( 325) = ( 0.5026446 0.4704814 0.4691649), wk = 0.0030488 k( 326) = ( 0.5026945 0.4793850 0.4780435), wk = 0.0030488 k( 327) = ( 0.5027444 0.4882885 0.4869221), wk = 0.0030488 k( 328) = ( 0.5027943 0.4971920 0.4958007), 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 0.0088787 -0.0088787), wk = 0.0030488 k( 44) = ( 0.5000000 0.0177574 -0.0177574), wk = 0.0030488 k( 45) = ( 0.5000000 0.0266360 -0.0266360), wk = 0.0030488 k( 46) = ( 0.5000000 0.0355147 -0.0355147), wk = 0.0030488 k( 47) = ( 0.5000000 0.0443934 -0.0443934), wk = 0.0030488 k( 48) = ( 0.5000000 0.0532720 -0.0532720), wk = 0.0030488 k( 49) = ( 0.5000000 0.0621507 -0.0621507), wk = 0.0030488 k( 50) = ( 0.5000000 0.0710294 -0.0710294), wk = 0.0030488 k( 51) = ( 0.5000000 0.0799081 -0.0799081), wk = 0.0030488 k( 52) = ( 0.5000000 0.0887867 -0.0887867), wk = 0.0030488 k( 53) = ( 0.5000000 0.0976654 -0.0976654), wk = 0.0030488 k( 54) = ( 0.5000000 0.1065441 -0.1065441), wk = 0.0030488 k( 55) = ( 0.5000000 0.1154228 -0.1154228), wk = 0.0030488 k( 56) = ( 0.5000000 0.1243014 -0.1243014), wk = 0.0030488 k( 57) = ( 0.5000000 0.1331801 -0.1331801), wk = 0.0030488 k( 58) = ( 0.5000000 0.1420588 -0.1420588), wk = 0.0030488 k( 59) = ( 0.5000000 0.1509374 -0.1509375), wk = 0.0030488 k( 60) = ( 0.5000000 0.1598161 -0.1598161), wk = 0.0030488 k( 61) = ( 0.5000000 0.1686948 -0.1686948), wk = 0.0030488 k( 62) = ( 0.5000000 0.1775735 -0.1775735), wk = 0.0030488 k( 63) = ( 0.5000000 0.1864522 -0.1864522), wk = 0.0030488 k( 64) = ( 0.5000000 0.1953308 -0.1953308), wk = 0.0030488 k( 65) = ( 0.5000000 0.2042095 -0.2042095), wk = 0.0030488 k( 66) = ( 0.5000000 0.2130882 -0.2130882), wk = 0.0030488 k( 67) = ( 0.5000000 0.2219668 -0.2219668), wk = 0.0030488 k( 68) = ( 0.5000000 0.2308455 -0.2308455), wk = 0.0030488 k( 69) = ( 0.5000000 0.2397242 -0.2397242), wk = 0.0030488 k( 70) = ( 0.5000000 0.2486029 -0.2486029), wk = 0.0030488 k( 71) = ( 0.5000000 0.2574815 -0.2574815), wk = 0.0030488 k( 72) = ( 0.5000000 0.2663602 -0.2663602), wk = 0.0030488 k( 73) = ( 0.5000000 0.2752389 -0.2752389), wk = 0.0030488 k( 74) = ( 0.5000000 0.2841176 -0.2841176), wk = 0.0030488 k( 75) = ( 0.5000000 0.2929962 -0.2929962), wk = 0.0030488 k( 76) = ( 0.5000000 0.3018749 -0.3018749), wk = 0.0030488 k( 77) = ( 0.5000000 0.3107536 -0.3107536), wk = 0.0030488 k( 78) = ( 0.5000000 0.3196323 -0.3196323), wk = 0.0030488 k( 79) = ( 0.5000000 0.3285109 -0.3285109), wk = 0.0030488 k( 80) = ( 0.5000000 0.3373896 -0.3373896), wk = 0.0030488 k( 81) = ( 0.5000000 0.3462683 -0.3462683), wk = 0.0030488 k( 82) = ( 0.5000000 0.3551469 -0.3551470), wk = 0.0030488 k( 83) = ( 0.5000000 0.3640256 -0.3640256), wk = 0.0030488 k( 84) = ( 0.5000000 0.3729043 -0.3729043), wk = 0.0030488 k( 85) = ( 0.5000000 0.3817830 -0.3817830), wk = 0.0030488 k( 86) = ( 0.5000000 0.3906616 -0.3906616), wk = 0.0030488 k( 87) = ( 0.5000000 0.3995403 -0.3995403), wk = 0.0030488 k( 88) = ( 0.5000000 0.4084190 -0.4084190), wk = 0.0030488 k( 89) = ( 0.5000000 0.4172977 -0.4172977), wk = 0.0030488 k( 90) = ( 0.5000000 0.4261763 -0.4261763), wk = 0.0030488 k( 91) = ( 0.5000000 0.4350550 -0.4350550), wk = 0.0030488 k( 92) = ( 0.5000000 0.4439337 -0.4439337), wk = 0.0030488 k( 93) = ( 0.5000000 0.4528124 -0.4528124), wk = 0.0030488 k( 94) = ( 0.5000000 0.4616910 -0.4616910), wk = 0.0030488 k( 95) = ( 0.5000000 0.4705697 -0.4705697), wk = 0.0030488 k( 96) = ( 0.5000000 0.4794484 -0.4794484), wk = 0.0030488 k( 97) = ( 0.5000000 0.4883270 -0.4883270), wk = 0.0030488 k( 98) = ( 0.5000000 0.4972057 -0.4972057), wk = 0.0030488 k( 99) = ( 0.5027943 0.5000000 0.4972057), 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 0.4191176 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 0.2058823 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) = ( 0.0089036 0.0000000 -0.0089036), wk = 0.0030488 k( 172) = ( 0.0178073 0.0000000 -0.0178073), wk = 0.0030488 k( 173) = ( 0.0267109 0.0000000 -0.0267109), wk = 0.0030488 k( 174) = ( 0.0356145 0.0000000 -0.0356145), wk = 0.0030488 k( 175) = ( 0.0445181 0.0000000 -0.0445181), wk = 0.0030488 k( 176) = ( 0.0534217 0.0000000 -0.0534217), wk = 0.0030488 k( 177) = ( 0.0623254 0.0000000 -0.0623254), wk = 0.0030488 k( 178) = ( 0.0712290 0.0000000 -0.0712290), wk = 0.0030488 k( 179) = ( 0.0801326 0.0000000 -0.0801326), wk = 0.0030488 k( 180) = ( 0.0890362 0.0000000 -0.0890362), wk = 0.0030488 k( 181) = ( 0.0979398 0.0000000 -0.0979398), wk = 0.0030488 k( 182) = ( 0.1068435 0.0000000 -0.1068435), wk = 0.0030488 k( 183) = ( 0.1157471 0.0000000 -0.1157471), wk = 0.0030488 k( 184) = ( 0.1246507 0.0000000 -0.1246507), wk = 0.0030488 k( 185) = ( 0.1335543 0.0000000 -0.1335543), wk = 0.0030488 k( 186) = ( 0.1424580 0.0000000 -0.1424580), wk = 0.0030488 k( 187) = ( 0.1513616 0.0000000 -0.1513616), wk = 0.0030488 k( 188) = ( 0.1602652 0.0000000 -0.1602652), wk = 0.0030488 k( 189) = ( 0.1691688 0.0000000 -0.1691688), wk = 0.0030488 k( 190) = ( 0.1780724 0.0000000 -0.1780725), wk = 0.0030488 k( 191) = ( 0.1869761 0.0000000 -0.1869761), wk = 0.0030488 k( 192) = ( 0.1958797 0.0000000 -0.1958797), wk = 0.0030488 k( 193) = ( 0.2047833 0.0000000 -0.2047833), wk = 0.0030488 k( 194) = ( 0.2136869 0.0000000 -0.2136869), wk = 0.0030488 k( 195) = ( 0.2225906 0.0000000 -0.2225906), wk = 0.0030488 k( 196) = ( 0.2314942 0.0000000 -0.2314942), wk = 0.0030488 k( 197) = ( 0.2403978 0.0000000 -0.2403978), wk = 0.0030488 k( 198) = ( 0.2493014 0.0000000 -0.2493014), wk = 0.0030488 k( 199) = ( 0.2582050 0.0000000 -0.2582051), wk = 0.0030488 k( 200) = ( 0.2671087 0.0000000 -0.2671087), wk = 0.0030488 k( 201) = ( 0.2760123 0.0000000 -0.2760123), wk = 0.0030488 k( 202) = ( 0.2849159 0.0000000 -0.2849159), wk = 0.0030488 k( 203) = ( 0.2938195 0.0000000 -0.2938195), wk = 0.0030488 k( 204) = ( 0.3027232 0.0000000 -0.3027232), wk = 0.0030488 k( 205) = ( 0.3116268 0.0000000 -0.3116268), wk = 0.0030488 k( 206) = ( 0.3205304 0.0000000 -0.3205304), wk = 0.0030488 k( 207) = ( 0.3294340 0.0000000 -0.3294340), wk = 0.0030488 k( 208) = ( 0.3383377 0.0000000 -0.3383377), wk = 0.0030488 k( 209) = ( 0.3472413 0.0000000 -0.3472413), wk = 0.0030488 k( 210) = ( 0.3561449 0.0000000 -0.3561449), wk = 0.0030488 k( 211) = ( 0.3650485 0.0000000 -0.3650485), wk = 0.0030488 k( 212) = ( 0.3739521 0.0000000 -0.3739522), wk = 0.0030488 k( 213) = ( 0.3828558 0.0000000 -0.3828558), wk = 0.0030488 k( 214) = ( 0.3917594 0.0000000 -0.3917594), wk = 0.0030488 k( 215) = ( 0.4006630 0.0000000 -0.4006630), wk = 0.0030488 k( 216) = ( 0.4095666 0.0000000 -0.4095666), wk = 0.0030488 k( 217) = ( 0.4184703 0.0000000 -0.4184703), wk = 0.0030488 k( 218) = ( 0.4273739 0.0000000 -0.4273739), wk = 0.0030488 k( 219) = ( 0.4362775 0.0000000 -0.4362775), wk = 0.0030488 k( 220) = ( 0.4451811 0.0000000 -0.4451811), wk = 0.0030488 k( 221) = ( 0.4540847 0.0000000 -0.4540847), wk = 0.0030488 k( 222) = ( 0.4629884 0.0000000 -0.4629884), wk = 0.0030488 k( 223) = ( 0.4718920 0.0000000 -0.4718920), wk = 0.0030488 k( 224) = ( 0.4807956 0.0000000 -0.4807956), wk = 0.0030488 k( 225) = ( 0.4896992 0.0000000 -0.4896992), wk = 0.0030488 k( 226) = ( 0.4986029 0.0000000 -0.4986029), wk = 0.0030488 k( 227) = ( 0.5013971 0.4986029 -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) = ( 0.5000349 0.5000349 0.0124301), wk = 0.0030488 k( 231) = ( 0.5000699 0.5000699 0.0248603), wk = 0.0030488 k( 232) = ( 0.5001048 0.5001048 0.0372904), wk = 0.0030488 k( 233) = ( 0.5001397 0.5001397 0.0497206), wk = 0.0030488 k( 234) = ( 0.5001746 0.5001746 0.0621507), wk = 0.0030488 k( 235) = ( 0.5002096 0.5002096 0.0745809), wk = 0.0030488 k( 236) = ( 0.5002445 0.5002445 0.0870110), wk = 0.0030488 k( 237) = ( 0.5002794 0.5002794 0.0994412), wk = 0.0030488 k( 238) = ( 0.5003144 0.5003144 0.1118713), wk = 0.0030488 k( 239) = ( 0.5003493 0.5003493 0.1243014), wk = 0.0030488 k( 240) = ( 0.5003842 0.5003842 0.1367316), wk = 0.0030488 k( 241) = ( 0.5004191 0.5004191 0.1491617), wk = 0.0030488 k( 242) = ( 0.5004541 0.5004541 0.1615919), wk = 0.0030488 k( 243) = ( 0.5004890 0.5004890 0.1740220), wk = 0.0030488 k( 244) = ( 0.5005239 0.5005239 0.1864522), wk = 0.0030488 k( 245) = ( 0.5005588 0.5005588 0.1988823), wk = 0.0030488 k( 246) = ( 0.5005938 0.5005938 0.2113124), wk = 0.0030488 k( 247) = ( 0.5006287 0.5006287 0.2237426), wk = 0.0030488 k( 248) = ( 0.5006636 0.5006636 0.2361727), wk = 0.0030488 k( 249) = ( 0.5006986 0.5006986 0.2486029), wk = 0.0030488 k( 250) = ( 0.5007335 0.5007335 0.2610330), wk = 0.0030488 k( 251) = ( 0.5007684 0.5007684 0.2734631), wk = 0.0030488 k( 252) = ( 0.5008033 0.5008033 0.2858933), wk = 0.0030488 k( 253) = ( 0.5008383 0.5008383 0.2983234), wk = 0.0030488 k( 254) = ( 0.5008732 0.5008732 0.3107536), wk = 0.0030488 k( 255) = ( 0.5009081 0.5009081 0.3231837), wk = 0.0030488 k( 256) = ( 0.5009431 0.5009431 0.3356139), wk = 0.0030488 k( 257) = ( 0.5009780 0.5009780 0.3480440), wk = 0.0030488 k( 258) = ( 0.5010129 0.5010129 0.3604742), wk = 0.0030488 k( 259) = ( 0.5010478 0.5010478 0.3729043), wk = 0.0030488 k( 260) = ( 0.5010828 0.5010828 0.3853344), wk = 0.0030488 k( 261) = ( 0.5011177 0.5011177 0.3977646), wk = 0.0030488 k( 262) = ( 0.5011526 0.5011526 0.4101947), wk = 0.0030488 k( 263) = ( 0.5011876 0.5011876 0.4226249), wk = 0.0030488 k( 264) = ( 0.5012225 0.5012225 0.4350550), wk = 0.0030488 k( 265) = ( 0.5012574 0.5012574 0.4474851), wk = 0.0030488 k( 266) = ( 0.5012924 0.5012924 0.4599153), wk = 0.0030488 k( 267) = ( 0.5013273 0.5013273 0.4723454), wk = 0.0030488 k( 268) = ( 0.5013622 0.5013622 0.4847756), wk = 0.0030488 k( 269) = ( 0.5013971 0.5013971 0.4972057), wk = 0.0030488 k( 270) = ( 0.5013971 0.5013971 0.4972057), 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) = ( 0.5000499 0.0089036 0.0089036), wk = 0.0030488 k( 274) = ( 0.5000998 0.0178072 0.0178073), wk = 0.0030488 k( 275) = ( 0.5001497 0.0267109 0.0267109), wk = 0.0030488 k( 276) = ( 0.5001996 0.0356145 0.0356145), wk = 0.0030488 k( 277) = ( 0.5002495 0.0445181 0.0445181), wk = 0.0030488 k( 278) = ( 0.5002994 0.0534217 0.0534217), wk = 0.0030488 k( 279) = ( 0.5003493 0.0623254 0.0623254), wk = 0.0030488 k( 280) = ( 0.5003992 0.0712290 0.0712290), wk = 0.0030488 k( 281) = ( 0.5004491 0.0801326 0.0801326), wk = 0.0030488 k( 282) = ( 0.5004990 0.0890362 0.0890362), wk = 0.0030488 k( 283) = ( 0.5005489 0.0979398 0.0979398), wk = 0.0030488 k( 284) = ( 0.5005988 0.1068435 0.1068435), wk = 0.0030488 k( 285) = ( 0.5006487 0.1157471 0.1157471), wk = 0.0030488 k( 286) = ( 0.5006986 0.1246507 0.1246507), wk = 0.0030488 k( 287) = ( 0.5007485 0.1335543 0.1335543), wk = 0.0030488 k( 288) = ( 0.5007984 0.1424580 0.1424580), wk = 0.0030488 k( 289) = ( 0.5008483 0.1513616 0.1513616), wk = 0.0030488 k( 290) = ( 0.5008982 0.1602652 0.1602652), wk = 0.0030488 k( 291) = ( 0.5009481 0.1691688 0.1691688), wk = 0.0030488 k( 292) = ( 0.5009980 0.1780724 0.1780725), wk = 0.0030488 k( 293) = ( 0.5010478 0.1869761 0.1869761), wk = 0.0030488 k( 294) = ( 0.5010978 0.1958797 0.1958797), wk = 0.0030488 k( 295) = ( 0.5011476 0.2047833 0.2047833), wk = 0.0030488 k( 296) = ( 0.5011975 0.2136869 0.2136869), wk = 0.0030488 k( 297) = ( 0.5012474 0.2225906 0.2225906), wk = 0.0030488 k( 298) = ( 0.5012973 0.2314942 0.2314942), wk = 0.0030488 k( 299) = ( 0.5013472 0.2403978 0.2403978), wk = 0.0030488 k( 300) = ( 0.5013971 0.2493014 0.2493014), wk = 0.0030488 k( 301) = ( 0.5014470 0.2582050 0.2582051), wk = 0.0030488 k( 302) = ( 0.5014969 0.2671087 0.2671087), wk = 0.0030488 k( 303) = ( 0.5015468 0.2760123 0.2760123), wk = 0.0030488 k( 304) = ( 0.5015967 0.2849159 0.2849159), wk = 0.0030488 k( 305) = ( 0.5016466 0.2938195 0.2938195), wk = 0.0030488 k( 306) = ( 0.5016965 0.3027232 0.3027232), wk = 0.0030488 k( 307) = ( 0.5017464 0.3116268 0.3116268), wk = 0.0030488 k( 308) = ( 0.5017963 0.3205304 0.3205304), wk = 0.0030488 k( 309) = ( 0.5018462 0.3294340 0.3294340), wk = 0.0030488 k( 310) = ( 0.5018961 0.3383377 0.3383377), wk = 0.0030488 k( 311) = ( 0.5019460 0.3472413 0.3472413), wk = 0.0030488 k( 312) = ( 0.5019959 0.3561449 0.3561449), wk = 0.0030488 k( 313) = ( 0.5020458 0.3650485 0.3650485), wk = 0.0030488 k( 314) = ( 0.5020957 0.3739521 0.3739522), wk = 0.0030488 k( 315) = ( 0.5021456 0.3828558 0.3828558), wk = 0.0030488 k( 316) = ( 0.5021955 0.3917594 0.3917594), wk = 0.0030488 k( 317) = ( 0.5022454 0.4006630 0.4006630), wk = 0.0030488 k( 318) = ( 0.5022953 0.4095666 0.4095666), wk = 0.0030488 k( 319) = ( 0.5023452 0.4184703 0.4184703), wk = 0.0030488 k( 320) = ( 0.5023951 0.4273739 0.4273739), wk = 0.0030488 k( 321) = ( 0.5024450 0.4362775 0.4362775), wk = 0.0030488 k( 322) = ( 0.5024949 0.4451811 0.4451811), wk = 0.0030488 k( 323) = ( 0.5025448 0.4540847 0.4540847), wk = 0.0030488 k( 324) = ( 0.5025947 0.4629884 0.4629884), wk = 0.0030488 k( 325) = ( 0.5026446 0.4718920 0.4718920), wk = 0.0030488 k( 326) = ( 0.5026945 0.4807956 0.4807956), wk = 0.0030488 k( 327) = ( 0.5027444 0.4896992 0.4896992), wk = 0.0030488 k( 328) = ( 0.5027943 0.4986029 0.4986029), wk = 0.0030488 Dense grid: 101019 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 ( 2107) G-vector shells 0.01 Mb ( 1699) 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 total cpu time spent up to now is 43.4 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 46.8 secs Computing kpt #: 3 total cpu time spent up to now is 49.5 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.9 secs Computing kpt #: 5 total cpu time spent up to now is 55.7 secs Computing kpt #: 6 total cpu time spent up to now is 57.7 secs Computing kpt #: 7 total cpu time spent up to now is 59.6 secs Computing kpt #: 8 total cpu time spent up to now is 61.4 secs Computing kpt #: 9 total cpu time spent up to now is 63.1 secs Computing kpt #: 10 total cpu time spent up to now is 65.1 secs Computing kpt #: 11 total cpu time spent up to now is 66.5 secs Computing kpt #: 12 total cpu time spent up to now is 67.8 secs Computing kpt #: 13 total cpu time spent up to now is 69.2 secs Computing kpt #: 14 total cpu time spent up to now is 70.5 secs Computing kpt #: 15 total cpu time spent up to now is 71.8 secs Computing kpt #: 16 total cpu time spent up to now is 73.1 secs Computing kpt #: 17 total cpu time spent up to now is 74.6 secs Computing kpt #: 18 total cpu time spent up to now is 76.1 secs Computing kpt #: 19 total cpu time spent up to now is 77.4 secs Computing kpt #: 20 total cpu time spent up to now is 78.6 secs Computing kpt #: 21 total cpu time spent up to now is 79.9 secs Computing kpt #: 22 total cpu time spent up to now is 81.3 secs Computing kpt #: 23 total cpu time spent up to now is 82.7 secs Computing kpt #: 24 total cpu time spent up to now is 84.1 secs Computing kpt #: 25 total cpu time spent up to now is 85.4 secs Computing kpt #: 26 total cpu time spent up to now is 86.6 secs Computing kpt #: 27 total cpu time spent up to now is 88.0 secs Computing kpt #: 28 total cpu time spent up to now is 89.2 secs Computing kpt #: 29 total cpu time spent up to now is 90.4 secs Computing kpt #: 30 total cpu time spent up to now is 91.6 secs Computing kpt #: 31 total cpu time spent up to now is 92.9 secs Computing kpt #: 32 total cpu time spent up to now is 94.1 secs Computing kpt #: 33 total cpu time spent up to now is 95.4 secs Computing kpt #: 34 total cpu time spent up to now is 96.6 secs Computing kpt #: 35 total cpu time spent up to now is 97.8 secs Computing kpt #: 36 total cpu time spent up to now is 99.2 secs Computing kpt #: 37 total cpu time spent up to now is 100.5 secs Computing kpt #: 38 total cpu time spent up to now is 101.7 secs Computing kpt #: 39 total cpu time spent up to now is 102.8 secs Computing kpt #: 40 total cpu time spent up to now is 104.0 secs Computing kpt #: 41 total cpu time spent up to now is 105.2 secs Computing kpt #: 42 total cpu time spent up to now is 106.5 secs Computing kpt #: 43 total cpu time spent up to now is 107.9 secs Computing kpt #: 44 total cpu time spent up to now is 109.2 secs Computing kpt #: 45 total cpu time spent up to now is 110.9 secs Computing kpt #: 46 total cpu time spent up to now is 112.2 secs Computing kpt #: 47 total cpu time spent up to now is 113.6 secs Computing kpt #: 48 total cpu time spent up to now is 114.9 secs Computing kpt #: 49 total cpu time spent up to now is 116.1 secs Computing kpt #: 50 total cpu time spent up to now is 117.5 secs Computing kpt #: 51 total cpu time spent up to now is 118.8 secs Computing kpt #: 52 total cpu time spent up to now is 120.1 secs Computing kpt #: 53 total cpu time spent up to now is 121.3 secs Computing kpt #: 54 total cpu time spent up to now is 122.5 secs Computing kpt #: 55 total cpu time spent up to now is 123.8 secs Computing kpt #: 56 total cpu time spent up to now is 125.0 secs Computing kpt #: 57 total cpu time spent up to now is 126.2 secs Computing kpt #: 58 total cpu time spent up to now is 127.4 secs Computing kpt #: 59 total cpu time spent up to now is 128.6 secs Computing kpt #: 60 total cpu time spent up to now is 129.8 secs Computing kpt #: 61 total cpu time spent up to now is 131.3 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 134.3 secs Computing kpt #: 64 total cpu time spent up to now is 135.9 secs Computing kpt #: 65 total cpu time spent up to now is 137.4 secs Computing kpt #: 66 total cpu time spent up to now is 138.7 secs Computing kpt #: 67 total cpu time spent up to now is 140.0 secs Computing kpt #: 68 total cpu time spent up to now is 141.3 secs Computing kpt #: 69 total cpu time spent up to now is 142.6 secs Computing kpt #: 70 total cpu time spent up to now is 144.0 secs Computing kpt #: 71 total cpu time spent up to now is 145.3 secs Computing kpt #: 72 total cpu time spent up to now is 147.0 secs Computing kpt #: 73 total cpu time spent up to now is 148.5 secs Computing kpt #: 74 total cpu time spent up to now is 150.2 secs Computing kpt #: 75 total cpu time spent up to now is 151.8 secs Computing kpt #: 76 total cpu time spent up to now is 153.5 secs Computing kpt #: 77 total cpu time spent up to now is 155.2 secs Computing kpt #: 78 total cpu time spent up to now is 157.4 secs Computing kpt #: 79 total cpu time spent up to now is 159.6 secs Computing kpt #: 80 total cpu time spent up to now is 161.8 secs Computing kpt #: 81 total cpu time spent up to now is 163.4 secs Computing kpt #: 82 total cpu time spent up to now is 165.5 secs Computing kpt #: 83 total cpu time spent up to now is 168.1 secs Computing kpt #: 84 total cpu time spent up to now is 170.6 secs Computing kpt #: 85 total cpu time spent up to now is 173.2 secs Computing kpt #: 86 total cpu time spent up to now is 175.7 secs Computing kpt #: 87 total cpu time spent up to now is 178.3 secs Computing kpt #: 88 total cpu time spent up to now is 180.9 secs Computing kpt #: 89 total cpu time spent up to now is 184.0 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 187.1 secs Computing kpt #: 91 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 190.3 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 193.5 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 196.7 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 199.9 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 203.2 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 206.4 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 209.6 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 212.7 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 215.9 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 218.9 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 221.9 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 225.2 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 228.3 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 231.4 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 234.6 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 237.7 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 240.9 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 244.0 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 247.1 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 250.3 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 253.4 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 256.5 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 259.7 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 262.9 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 266.0 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 269.2 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 272.3 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 275.5 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 278.7 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 281.9 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 285.1 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 288.3 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 291.6 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 294.7 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 298.0 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 301.9 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 305.0 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 308.2 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 311.5 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 314.6 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 317.6 secs Computing kpt #: 132 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 320.6 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 323.7 secs Computing kpt #: 134 total cpu time spent up to now is 325.4 secs Computing kpt #: 135 total cpu time spent up to now is 327.0 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 330.2 secs Computing kpt #: 137 total cpu time spent up to now is 332.6 secs Computing kpt #: 138 total cpu time spent up to now is 334.1 secs Computing kpt #: 139 total cpu time spent up to now is 335.7 secs Computing kpt #: 140 total cpu time spent up to now is 337.2 secs Computing kpt #: 141 total cpu time spent up to now is 338.9 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 342.2 secs Computing kpt #: 143 total cpu time spent up to now is 343.7 secs Computing kpt #: 144 total cpu time spent up to now is 345.4 secs Computing kpt #: 145 total cpu time spent up to now is 347.1 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 350.4 secs Computing kpt #: 147 total cpu time spent up to now is 351.8 secs Computing kpt #: 148 total cpu time spent up to now is 353.3 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 356.4 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 359.7 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 363.0 secs Computing kpt #: 152 total cpu time spent up to now is 364.4 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 367.7 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 370.9 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 374.1 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 377.3 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 380.5 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 383.8 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 387.0 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 390.3 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 393.5 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 396.7 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 400.0 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 403.2 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 406.4 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 409.6 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 412.7 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 415.7 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 418.8 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 421.9 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 425.4 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 428.6 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 431.9 secs Computing kpt #: 174 total cpu time spent up to now is 434.7 secs Computing kpt #: 175 total cpu time spent up to now is 437.4 secs Computing kpt #: 176 total cpu time spent up to now is 439.2 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 442.6 secs Computing kpt #: 178 total cpu time spent up to now is 444.3 secs Computing kpt #: 179 total cpu time spent up to now is 445.7 secs Computing kpt #: 180 total cpu time spent up to now is 448.0 secs Computing kpt #: 181 total cpu time spent up to now is 449.7 secs Computing kpt #: 182 total cpu time spent up to now is 451.0 secs Computing kpt #: 183 total cpu time spent up to now is 452.5 secs Computing kpt #: 184 total cpu time spent up to now is 454.2 secs Computing kpt #: 185 total cpu time spent up to now is 455.8 secs Computing kpt #: 186 total cpu time spent up to now is 457.4 secs Computing kpt #: 187 total cpu time spent up to now is 458.8 secs Computing kpt #: 188 total cpu time spent up to now is 460.2 secs Computing kpt #: 189 total cpu time spent up to now is 461.9 secs Computing kpt #: 190 total cpu time spent up to now is 463.2 secs Computing kpt #: 191 total cpu time spent up to now is 464.4 secs Computing kpt #: 192 total cpu time spent up to now is 465.8 secs Computing kpt #: 193 total cpu time spent up to now is 467.1 secs Computing kpt #: 194 total cpu time spent up to now is 468.3 secs Computing kpt #: 195 total cpu time spent up to now is 469.6 secs Computing kpt #: 196 total cpu time spent up to now is 470.9 secs Computing kpt #: 197 total cpu time spent up to now is 472.4 secs Computing kpt #: 198 total cpu time spent up to now is 473.6 secs Computing kpt #: 199 total cpu time spent up to now is 475.1 secs Computing kpt #: 200 total cpu time spent up to now is 476.5 secs Computing kpt #: 201 total cpu time spent up to now is 477.8 secs Computing kpt #: 202 total cpu time spent up to now is 479.0 secs Computing kpt #: 203 total cpu time spent up to now is 480.2 secs Computing kpt #: 204 total cpu time spent up to now is 481.6 secs Computing kpt #: 205 total cpu time spent up to now is 482.8 secs Computing kpt #: 206 total cpu time spent up to now is 484.1 secs Computing kpt #: 207 total cpu time spent up to now is 485.4 secs Computing kpt #: 208 total cpu time spent up to now is 486.6 secs Computing kpt #: 209 total cpu time spent up to now is 487.8 secs Computing kpt #: 210 total cpu time spent up to now is 489.1 secs Computing kpt #: 211 total cpu time spent up to now is 490.3 secs Computing kpt #: 212 total cpu time spent up to now is 491.4 secs Computing kpt #: 213 total cpu time spent up to now is 492.7 secs Computing kpt #: 214 total cpu time spent up to now is 493.9 secs Computing kpt #: 215 total cpu time spent up to now is 495.1 secs Computing kpt #: 216 total cpu time spent up to now is 496.3 secs Computing kpt #: 217 total cpu time spent up to now is 497.4 secs Computing kpt #: 218 total cpu time spent up to now is 498.7 secs Computing kpt #: 219 total cpu time spent up to now is 499.7 secs Computing kpt #: 220 total cpu time spent up to now is 500.7 secs Computing kpt #: 221 total cpu time spent up to now is 501.9 secs Computing kpt #: 222 total cpu time spent up to now is 502.9 secs Computing kpt #: 223 total cpu time spent up to now is 503.9 secs Computing kpt #: 224 total cpu time spent up to now is 504.9 secs Computing kpt #: 225 total cpu time spent up to now is 506.0 secs Computing kpt #: 226 total cpu time spent up to now is 507.0 secs Computing kpt #: 227 total cpu time spent up to now is 508.0 secs Computing kpt #: 228 total cpu time spent up to now is 509.2 secs Computing kpt #: 229 total cpu time spent up to now is 510.3 secs Computing kpt #: 230 total cpu time spent up to now is 511.3 secs Computing kpt #: 231 total cpu time spent up to now is 512.4 secs Computing kpt #: 232 total cpu time spent up to now is 513.4 secs Computing kpt #: 233 total cpu time spent up to now is 514.5 secs Computing kpt #: 234 total cpu time spent up to now is 515.6 secs Computing kpt #: 235 total cpu time spent up to now is 516.8 secs Computing kpt #: 236 total cpu time spent up to now is 517.8 secs Computing kpt #: 237 total cpu time spent up to now is 518.9 secs Computing kpt #: 238 total cpu time spent up to now is 520.3 secs Computing kpt #: 239 total cpu time spent up to now is 521.7 secs Computing kpt #: 240 total cpu time spent up to now is 522.9 secs Computing kpt #: 241 total cpu time spent up to now is 524.2 secs Computing kpt #: 242 total cpu time spent up to now is 525.6 secs Computing kpt #: 243 total cpu time spent up to now is 527.0 secs Computing kpt #: 244 total cpu time spent up to now is 528.2 secs Computing kpt #: 245 total cpu time spent up to now is 529.8 secs Computing kpt #: 246 total cpu time spent up to now is 531.3 secs Computing kpt #: 247 total cpu time spent up to now is 533.0 secs Computing kpt #: 248 total cpu time spent up to now is 534.5 secs Computing kpt #: 249 total cpu time spent up to now is 536.2 secs Computing kpt #: 250 total cpu time spent up to now is 537.9 secs Computing kpt #: 251 total cpu time spent up to now is 539.5 secs Computing kpt #: 252 total cpu time spent up to now is 541.2 secs Computing kpt #: 253 total cpu time spent up to now is 543.0 secs Computing kpt #: 254 total cpu time spent up to now is 544.9 secs Computing kpt #: 255 total cpu time spent up to now is 546.8 secs Computing kpt #: 256 total cpu time spent up to now is 548.4 secs Computing kpt #: 257 total cpu time spent up to now is 550.4 secs Computing kpt #: 258 total cpu time spent up to now is 552.4 secs Computing kpt #: 259 total cpu time spent up to now is 554.5 secs Computing kpt #: 260 total cpu time spent up to now is 556.9 secs Computing kpt #: 261 total cpu time spent up to now is 559.3 secs Computing kpt #: 262 total cpu time spent up to now is 562.0 secs Computing kpt #: 263 total cpu time spent up to now is 565.0 secs Computing kpt #: 264 total cpu time spent up to now is 567.8 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 571.0 secs Computing kpt #: 266 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 574.1 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 577.3 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 580.5 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 583.7 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 586.8 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 589.8 secs Computing kpt #: 272 total cpu time spent up to now is 591.1 secs Computing kpt #: 273 total cpu time spent up to now is 592.4 secs Computing kpt #: 274 total cpu time spent up to now is 593.6 secs Computing kpt #: 275 total cpu time spent up to now is 594.8 secs Computing kpt #: 276 total cpu time spent up to now is 596.1 secs Computing kpt #: 277 total cpu time spent up to now is 597.4 secs Computing kpt #: 278 total cpu time spent up to now is 598.8 secs Computing kpt #: 279 total cpu time spent up to now is 600.6 secs Computing kpt #: 280 total cpu time spent up to now is 602.3 secs Computing kpt #: 281 total cpu time spent up to now is 604.1 secs Computing kpt #: 282 total cpu time spent up to now is 605.4 secs Computing kpt #: 283 total cpu time spent up to now is 606.8 secs Computing kpt #: 284 total cpu time spent up to now is 607.9 secs Computing kpt #: 285 total cpu time spent up to now is 609.3 secs Computing kpt #: 286 total cpu time spent up to now is 610.7 secs Computing kpt #: 287 total cpu time spent up to now is 611.9 secs Computing kpt #: 288 total cpu time spent up to now is 613.1 secs Computing kpt #: 289 total cpu time spent up to now is 614.2 secs Computing kpt #: 290 total cpu time spent up to now is 615.5 secs Computing kpt #: 291 total cpu time spent up to now is 616.7 secs Computing kpt #: 292 total cpu time spent up to now is 617.9 secs Computing kpt #: 293 total cpu time spent up to now is 619.1 secs Computing kpt #: 294 total cpu time spent up to now is 620.3 secs Computing kpt #: 295 total cpu time spent up to now is 621.5 secs Computing kpt #: 296 total cpu time spent up to now is 622.8 secs Computing kpt #: 297 total cpu time spent up to now is 623.9 secs Computing kpt #: 298 total cpu time spent up to now is 625.1 secs Computing kpt #: 299 total cpu time spent up to now is 626.6 secs Computing kpt #: 300 total cpu time spent up to now is 628.0 secs Computing kpt #: 301 total cpu time spent up to now is 629.6 secs Computing kpt #: 302 total cpu time spent up to now is 630.9 secs Computing kpt #: 303 total cpu time spent up to now is 632.2 secs Computing kpt #: 304 total cpu time spent up to now is 633.9 secs Computing kpt #: 305 total cpu time spent up to now is 635.5 secs Computing kpt #: 306 total cpu time spent up to now is 637.1 secs Computing kpt #: 307 total cpu time spent up to now is 638.7 secs Computing kpt #: 308 total cpu time spent up to now is 640.4 secs Computing kpt #: 309 total cpu time spent up to now is 642.3 secs Computing kpt #: 310 total cpu time spent up to now is 644.1 secs Computing kpt #: 311 total cpu time spent up to now is 646.3 secs Computing kpt #: 312 total cpu time spent up to now is 648.5 secs Computing kpt #: 313 total cpu time spent up to now is 650.9 secs Computing kpt #: 314 total cpu time spent up to now is 653.3 secs Computing kpt #: 315 total cpu time spent up to now is 656.0 secs Computing kpt #: 316 total cpu time spent up to now is 658.8 secs Computing kpt #: 317 total cpu time spent up to now is 661.4 secs Computing kpt #: 318 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 664.6 secs Computing kpt #: 319 total cpu time spent up to now is 667.5 secs Computing kpt #: 320 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 670.6 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 673.8 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 677.0 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 680.2 secs Computing kpt #: 324 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 683.3 secs Computing kpt #: 325 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 686.5 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 689.6 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 692.7 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 695.9 secs ethr = 2.50E-11, avg # of iterations = 61.0 total cpu time spent up to now is 696.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9371 -45.9371 -22.6516 -22.6516 -21.9984 -21.9984 -21.9952 -21.9952 -14.3972 -14.3972 -6.4941 -6.4941 -5.8312 -5.8312 -5.8285 -5.8285 -0.9359 -0.9359 0.9781 0.9781 0.9796 0.9796 7.9806 7.9806 8.1972 8.1972 8.1975 8.1975 8.9992 8.9992 9.0086 9.0086 9.2380 9.2380 9.7811 9.7811 9.9310 9.9310 9.9874 9.9874 12.6947 12.6947 12.7066 12.7066 12.8465 12.8465 14.8244 14.8244 k = 0.0125-0.0000-0.0000 ( 2777 PWs) bands (ev): -45.9371 -45.9371 -22.6517 -22.6516 -21.9984 -21.9984 -21.9953 -21.9952 -14.3970 -14.3970 -6.4943 -6.4940 -5.8313 -5.8310 -5.8285 -5.8285 -0.9355 -0.9355 0.9785 0.9785 0.9797 0.9802 7.9778 7.9814 8.1928 8.1952 8.1975 8.1987 8.9972 8.9974 9.0057 9.0076 9.2364 9.2377 9.7659 9.7911 9.9176 9.9412 9.9875 9.9879 12.6956 12.6962 12.7071 12.7092 12.8467 12.8483 14.8249 14.8251 k = 0.0250-0.0001-0.0001 ( 2771 PWs) bands (ev): -45.9371 -45.9371 -22.6518 -22.6516 -21.9985 -21.9985 -21.9954 -21.9952 -14.3965 -14.3965 -6.4945 -6.4939 -5.8314 -5.8307 -5.8283 -5.8283 -0.9345 -0.9344 0.9794 0.9796 0.9808 0.9819 7.9727 7.9801 8.1844 8.1902 8.1964 8.1978 8.9913 8.9916 8.9991 9.0027 9.2328 9.2354 9.7464 9.7943 9.9033 9.9464 9.9874 9.9899 12.6967 12.6996 12.7129 12.7153 12.8488 12.8519 14.8248 14.8252 k = 0.0375-0.0001-0.0001 ( 2766 PWs) bands (ev): -45.9371 -45.9371 -22.6519 -22.6517 -21.9986 -21.9986 -21.9955 -21.9953 -14.3956 -14.3956 -6.4948 -6.4940 -5.8314 -5.8303 -5.8281 -5.8280 -0.9328 -0.9326 0.9809 0.9811 0.9829 0.9847 7.9652 7.9764 8.1722 8.1816 8.1943 8.1956 8.9816 8.9820 8.9890 8.9942 9.2273 9.2310 9.7234 9.7891 9.8903 9.9465 9.9865 9.9928 12.6971 12.7034 12.7249 12.7264 12.8531 12.8574 14.8246 14.8253 k = 0.0500-0.0001-0.0001 ( 2766 PWs) bands (ev): -45.9371 -45.9371 -22.6521 -22.6518 -21.9988 -21.9988 -21.9956 -21.9954 -14.3944 -14.3943 -6.4953 -6.4942 -5.8313 -5.8299 -5.8277 -5.8276 -0.9305 -0.9302 0.9829 0.9831 0.9862 0.9885 7.9550 7.9701 8.1565 8.1697 8.1911 8.1925 8.9682 8.9687 8.9758 8.9822 9.2198 9.2245 9.6974 9.7750 9.8799 9.9425 9.9842 9.9951 12.6978 12.7068 12.7424 12.7431 12.8597 12.8650 14.8244 14.8252 k = 0.0625-0.0002-0.0002 ( 2764 PWs) bands (ev): -45.9371 -45.9371 -22.6523 -22.6520 -21.9992 -21.9991 -21.9958 -21.9955 -14.3928 -14.3927 -6.4959 -6.4945 -5.8310 -5.8293 -5.8271 -5.8270 -0.9274 -0.9270 0.9853 0.9856 0.9905 0.9933 7.9415 7.9604 8.1380 8.1549 8.1870 8.1884 8.9512 8.9518 8.9601 8.9671 9.2103 9.2158 9.6689 9.7529 9.8714 9.9358 9.9802 9.9952 12.6993 12.7103 12.7649 12.7650 12.8689 12.8749 14.8241 14.8252 k = 0.0750-0.0002-0.0002 ( 2767 PWs) bands (ev): -45.9370 -45.9370 -22.6526 -22.6522 -21.9997 -21.9995 -21.9959 -21.9956 -14.3909 -14.3908 -6.4968 -6.4952 -5.8305 -5.8286 -5.8264 -5.8261 -0.9238 -0.9233 0.9883 0.9886 0.9958 0.9990 7.9242 7.9466 8.1177 8.1381 8.1819 8.1833 8.9310 8.9317 8.9420 8.9491 9.1987 9.2048 9.6382 9.7248 9.8634 9.9272 9.9743 9.9922 12.7018 12.7142 12.7918 12.7918 12.8809 12.8873 14.8238 14.8251 k = 0.0875-0.0002-0.0002 ( 2760 PWs) bands (ev): -45.9370 -45.9370 -22.6529 -22.6525 -22.0002 -22.0000 -21.9960 -21.9957 -14.3886 -14.3885 -6.4980 -6.4962 -5.8297 -5.8278 -5.8255 -5.8249 -0.9195 -0.9189 0.9918 0.9921 1.0021 1.0058 7.9024 7.9276 8.0971 8.1201 8.1757 8.1772 8.9081 8.9088 8.9218 8.9286 9.1851 9.1917 9.6058 9.6923 9.8547 9.9168 9.9662 9.9859 12.7053 12.7185 12.8229 12.8229 12.8962 12.9027 14.8235 14.8250 k = 0.1000-0.0003-0.0003 ( 2750 PWs) bands (ev): -45.9370 -45.9370 -22.6532 -22.6527 -22.0009 -22.0006 -21.9960 -21.9958 -14.3861 -14.3860 -6.4997 -6.4976 -5.8286 -5.8270 -5.8242 -5.8232 -0.9147 -0.9140 0.9958 0.9960 1.0093 1.0134 7.8755 7.9023 8.0772 8.1017 8.1683 8.1700 8.8829 8.8834 8.8997 8.9058 9.1695 9.1764 9.5717 9.6565 9.8449 9.9052 9.9558 9.9761 12.7099 12.7233 12.8577 12.8582 12.9150 12.9217 14.8231 14.8248 k = 0.1125-0.0003-0.0003 ( 2754 PWs) bands (ev): -45.9370 -45.9370 -22.6536 -22.6531 -22.0017 -22.0013 -21.9961 -21.9958 -14.3832 -14.3831 -6.5018 -6.4995 -5.8274 -5.8260 -5.8225 -5.8208 -0.9093 -0.9085 1.0002 1.0004 1.0173 1.0218 7.8432 7.8701 8.0589 8.0836 8.1598 8.1616 8.8560 8.8560 8.8760 8.8812 9.1520 9.1590 9.5362 9.6179 9.8336 9.8922 9.9433 9.9631 12.7153 12.7286 12.8955 12.8971 12.9376 12.9448 14.8227 14.8246 k = 0.1250-0.0004-0.0004 ( 2752 PWs) bands (ev): -45.9369 -45.9369 -22.6540 -22.6534 -22.0026 -22.0022 -21.9961 -21.9958 -14.3801 -14.3800 -6.5046 -6.5020 -5.8260 -5.8250 -5.8201 -5.8177 -0.9034 -0.9026 1.0051 1.0053 1.0261 1.0311 7.8054 7.8314 8.0424 8.0661 8.1501 8.1520 8.8270 8.8277 8.8511 8.8551 9.1328 9.1397 9.4994 9.5769 9.8208 9.8781 9.9288 9.9470 12.7214 12.7342 12.9353 12.9391 12.9645 12.9731 14.8223 14.8244 k = 0.1375-0.0004-0.0004 ( 2753 PWs) bands (ev): -45.9369 -45.9369 -22.6545 -22.6539 -22.0037 -22.0031 -21.9961 -21.9959 -14.3767 -14.3766 -6.5080 -6.5053 -5.8247 -5.8240 -5.8167 -5.8139 -0.8971 -0.8961 1.0103 1.0106 1.0357 1.0411 7.7623 7.7866 8.0273 8.0492 8.1391 8.1411 8.7966 8.7983 8.8252 8.8279 9.1119 9.1187 9.4614 9.5340 9.8067 9.8629 9.9125 9.9282 12.7280 12.7400 12.9752 12.9826 12.9969 13.0081 14.8219 14.8241 k = 0.1500-0.0004-0.0004 ( 2753 PWs) bands (ev): -45.9369 -45.9369 -22.6550 -22.6543 -22.0048 -22.0041 -21.9960 -21.9959 -14.3730 -14.3729 -6.5122 -6.5093 -5.8234 -5.8229 -5.8124 -5.8091 -0.8903 -0.8893 1.0160 1.0162 1.0460 1.0518 7.7145 7.7366 8.0132 8.0329 8.1267 8.1289 8.7654 8.7683 8.7988 8.7999 9.0896 9.0962 9.4225 9.4893 9.7912 9.8467 9.8947 9.9072 12.7348 12.7460 13.0146 13.0234 13.0387 13.0504 14.8214 14.8239 k = 0.1625-0.0005-0.0005 ( 2751 PWs) bands (ev): -45.9368 -45.9368 -22.6555 -22.6548 -22.0059 -22.0052 -21.9960 -21.9958 -14.3692 -14.3691 -6.5172 -6.5141 -5.8221 -5.8217 -5.8071 -5.8034 -0.8832 -0.8821 1.0220 1.0223 1.0570 1.0632 7.6625 7.6825 7.9995 8.0170 8.1130 8.1153 8.7335 8.7379 8.7716 8.7721 9.0660 9.0724 9.3827 9.4432 9.7746 9.8296 9.8758 9.8846 12.7417 12.7521 13.0545 13.0629 13.0879 13.0982 14.8208 14.8235 k = 0.1750-0.0005-0.0005 ( 2753 PWs) bands (ev): -45.9368 -45.9368 -22.6561 -22.6553 -22.0072 -22.0064 -21.9959 -21.9958 -14.3651 -14.3650 -6.5229 -6.5198 -5.8208 -5.8205 -5.8007 -5.7968 -0.8758 -0.8745 1.0283 1.0286 1.0686 1.0751 7.6070 7.6249 7.9859 8.0011 8.0978 8.1003 8.7014 8.7074 8.7432 8.7454 9.0415 9.0475 9.3423 9.3959 9.7569 9.8116 9.8559 9.8607 12.7487 12.7581 13.0964 13.1047 13.1403 13.1496 14.8203 14.8232 k = 0.1875-0.0005-0.0005 ( 2755 PWs) bands (ev): -45.9368 -45.9368 -22.6567 -22.6559 -22.0085 -22.0077 -21.9959 -21.9958 -14.3609 -14.3608 -6.5296 -6.5263 -5.8195 -5.8193 -5.7933 -5.7891 -0.8681 -0.8667 1.0350 1.0352 1.0806 1.0875 7.5485 7.5645 7.9720 7.9852 8.0813 8.0838 8.6692 8.6771 8.7149 8.7188 9.0162 9.0217 9.3014 9.3478 9.7383 9.7925 9.8355 9.8363 12.7556 12.7642 13.1409 13.1492 13.1947 13.2035 14.8197 14.8227 k = 0.2000-0.0006-0.0006 ( 2750 PWs) bands (ev): -45.9367 -45.9367 -22.6572 -22.6564 -22.0097 -22.0089 -21.9958 -21.9957 -14.3565 -14.3564 -6.5370 -6.5336 -5.8182 -5.8180 -5.7848 -5.7805 -0.8602 -0.8587 1.0418 1.0421 1.0932 1.1003 7.4877 7.5019 7.9577 7.9690 8.0633 8.0660 8.6372 8.6471 8.6871 8.6927 8.9904 8.9954 9.2602 9.2992 9.7190 9.7723 9.8119 9.8147 12.7624 12.7702 13.1878 13.1964 13.2506 13.2590 14.8190 14.8223 k = 0.2125-0.0006-0.0006 ( 2746 PWs) bands (ev): -45.9367 -45.9367 -22.6578 -22.6570 -22.0111 -22.0102 -21.9957 -21.9956 -14.3520 -14.3519 -6.5452 -6.5418 -5.8168 -5.8167 -5.7753 -5.7709 -0.8521 -0.8505 1.0489 1.0492 1.1061 1.1135 7.4251 7.4378 7.9429 7.9524 8.0441 8.0469 8.6057 8.6177 8.6597 8.6670 8.9644 8.9688 9.2190 9.2506 9.6991 9.7507 9.7882 9.7939 12.7691 12.7762 13.2369 13.2458 13.3075 13.3157 14.8183 14.8217 k = 0.2250-0.0006-0.0006 ( 2743 PWs) bands (ev): -45.9367 -45.9367 -22.6584 -22.6576 -22.0124 -22.0116 -21.9956 -21.9955 -14.3474 -14.3473 -6.5541 -6.5507 -5.8154 -5.8153 -5.7648 -5.7603 -0.8439 -0.8422 1.0562 1.0564 1.1193 1.1269 7.3613 7.3726 7.9275 7.9354 8.0236 8.0265 8.5748 8.5890 8.6331 8.6420 8.9384 8.9420 9.1781 9.2023 9.6788 9.7279 9.7656 9.7731 12.7757 12.7822 13.2879 13.2970 13.3651 13.3732 14.8175 14.8211 k = 0.2375-0.0007-0.0007 ( 2747 PWs) bands (ev): -45.9366 -45.9366 -22.6591 -22.6582 -22.0138 -22.0129 -21.9956 -21.9955 -14.3428 -14.3426 -6.5637 -6.5603 -5.8141 -5.8140 -5.7535 -5.7490 -0.8356 -0.8339 1.0635 1.0638 1.1327 1.1405 7.2967 7.3068 7.9115 7.9179 8.0021 8.0050 8.5447 8.5612 8.6071 8.6176 8.9125 8.9154 9.1377 9.1547 9.6582 9.7040 9.7442 9.7526 12.7822 12.7881 13.3403 13.3496 13.4230 13.4310 14.8166 14.8205 k = 0.2500-0.0007-0.0007 ( 2747 PWs) bands (ev): -45.9366 -45.9366 -22.6597 -22.6588 -22.0152 -22.0143 -21.9955 -21.9954 -14.3381 -14.3379 -6.5739 -6.5705 -5.8127 -5.8126 -5.7414 -5.7369 -0.8273 -0.8255 1.0710 1.0713 1.1463 1.1542 7.2319 7.2409 7.8949 7.9000 7.9797 7.9826 8.5155 8.5342 8.5819 8.5937 8.8871 8.8892 9.0982 9.1083 9.6376 9.6794 9.7240 9.7325 12.7885 12.7940 13.3938 13.4031 13.4809 13.4889 14.8157 14.8197 k = 0.2625-0.0007-0.0007 ( 2745 PWs) bands (ev): -45.9365 -45.9365 -22.6603 -22.6595 -22.0166 -22.0157 -21.9954 -21.9953 -14.3333 -14.3332 -6.5845 -6.5812 -5.8113 -5.8112 -5.7286 -5.7242 -0.8191 -0.8172 1.0785 1.0788 1.1599 1.1679 7.1672 7.1753 7.8778 7.8817 7.9565 7.9595 8.4874 8.5082 8.5573 8.5704 8.8623 8.8634 9.0597 9.0635 9.6169 9.6547 9.7048 9.7129 12.7948 12.7998 13.4478 13.4572 13.5385 13.5465 14.8147 14.8189 k = 0.2750-0.0008-0.0008 ( 2745 PWs) bands (ev): -45.9365 -45.9365 -22.6609 -22.6601 -22.0179 -22.0170 -21.9953 -21.9953 -14.3286 -14.3285 -6.5955 -6.5923 -5.8099 -5.8099 -5.7153 -5.7109 -0.8109 -0.8090 1.0860 1.0863 1.1735 1.1816 7.1032 7.1105 7.8603 7.8631 7.9329 7.9358 8.4605 8.4833 8.5334 8.5475 8.8384 8.8384 9.0207 9.0227 9.5964 9.6301 9.6864 9.6939 12.8009 12.8055 13.5020 13.5114 13.5955 13.6034 14.8136 14.8179 k = 0.2875-0.0008-0.0008 ( 2749 PWs) bands (ev): -45.9365 -45.9365 -22.6616 -22.6607 -22.0193 -22.0184 -21.9953 -21.9952 -14.3240 -14.3239 -6.6067 -6.6036 -5.8086 -5.8085 -5.7016 -5.6974 -0.8028 -0.8009 1.0934 1.0937 1.1870 1.1951 7.0401 7.0468 7.8425 7.8443 7.9091 7.9118 8.4347 8.4594 8.5101 8.5249 8.8142 8.8154 8.9803 8.9873 9.5763 9.6061 9.6688 9.6756 12.8069 12.8111 13.5560 13.5652 13.6515 13.6594 14.8124 14.8169 k = 0.3000-0.0008-0.0008 ( 2749 PWs) bands (ev): -45.9364 -45.9364 -22.6622 -22.6614 -22.0206 -22.0197 -21.9952 -21.9951 -14.3194 -14.3193 -6.6181 -6.6151 -5.8072 -5.8072 -5.6877 -5.6835 -0.7950 -0.7930 1.1007 1.1010 1.2003 1.2083 6.9786 6.9845 7.8245 7.8254 7.8852 7.8877 8.4102 8.4365 8.4874 8.5025 8.7909 8.7934 8.9427 8.9539 9.5567 9.5828 9.6519 9.6580 12.8127 12.8165 13.6093 13.6184 13.7063 13.7141 14.8111 14.8157 k = 0.3125-0.0009-0.0009 ( 2751 PWs) bands (ev): -45.9364 -45.9364 -22.6628 -22.6620 -22.0219 -22.0210 -21.9951 -21.9951 -14.3149 -14.3148 -6.6294 -6.6266 -5.8059 -5.8059 -5.6736 -5.6696 -0.7873 -0.7853 1.1079 1.1082 1.2133 1.2212 6.9188 6.9242 7.8065 7.8066 7.8615 7.8639 8.3869 8.4148 8.4652 8.4803 8.7686 8.7726 8.9081 8.9225 9.5376 9.5604 9.6358 9.6412 12.8183 12.8218 13.6616 13.6705 13.7596 13.7673 14.8098 14.8144 k = 0.3250-0.0009-0.0009 ( 2754 PWs) bands (ev): -45.9363 -45.9363 -22.6634 -22.6626 -22.0231 -22.0223 -21.9951 -21.9950 -14.3106 -14.3105 -6.6407 -6.6380 -5.8047 -5.8047 -5.6596 -5.6558 -0.7800 -0.7780 1.1149 1.1152 1.2260 1.2337 6.8611 6.8661 7.7881 7.7886 7.8383 7.8405 8.3649 8.3940 8.4437 8.4581 8.7475 8.7530 8.8768 8.8934 9.5192 9.5390 9.6205 9.6252 12.8238 12.8270 13.7125 13.7211 13.8111 13.8187 14.8083 14.8131 k = 0.3375-0.0009-0.0009 ( 2754 PWs) bands (ev): -45.9363 -45.9363 -22.6639 -22.6632 -22.0243 -22.0235 -21.9950 -21.9949 -14.3064 -14.3063 -6.6517 -6.6492 -5.8035 -5.8035 -5.6458 -5.6421 -0.7729 -0.7709 1.1216 1.1219 1.2382 1.2458 6.8060 6.8105 7.7701 7.7710 7.8158 7.8177 8.3442 8.3744 8.4228 8.4362 8.7276 8.7345 8.8489 8.8668 9.5017 9.5187 9.6060 9.6101 12.8290 12.8319 13.7616 13.7698 13.8605 13.8680 14.8068 14.8116 k = 0.3500-0.0010-0.0010 ( 2756 PWs) bands (ev): -45.9363 -45.9363 -22.6644 -22.6637 -22.0254 -22.0246 -21.9949 -21.9949 -14.3025 -14.3023 -6.6623 -6.6600 -5.8023 -5.8023 -5.6323 -5.6288 -0.7662 -0.7642 1.1281 1.1283 1.2500 1.2572 6.7536 6.7577 7.7526 7.7539 7.7942 7.7957 8.3248 8.3557 8.4027 8.4145 8.7089 8.7172 8.8243 8.8426 9.4851 9.4997 9.5924 9.5960 12.8340 12.8366 13.8086 13.8165 13.9076 13.9150 14.8051 14.8099 k = 0.3625-0.0010-0.0010 ( 2756 PWs) bands (ev): -45.9363 -45.9363 -22.6649 -22.6643 -22.0264 -22.0257 -21.9949 -21.9948 -14.2987 -14.2986 -6.6725 -6.6704 -5.8013 -5.8012 -5.6193 -5.6161 -0.7598 -0.7580 1.1342 1.1344 1.2611 1.2680 6.7044 6.7081 7.7358 7.7375 7.7736 7.7749 8.3068 8.3381 8.3835 8.3934 8.6916 8.7011 8.8030 8.8209 9.4695 9.4819 9.5798 9.5829 12.8387 12.8411 13.8533 13.8607 13.9521 13.9593 14.8035 14.8082 k = 0.3750-0.0011-0.0011 ( 2762 PWs) bands (ev): -45.9362 -45.9362 -22.6654 -22.6648 -22.0274 -22.0268 -21.9948 -21.9948 -14.2951 -14.2951 -6.6822 -6.6802 -5.8003 -5.8002 -5.6068 -5.6039 -0.7539 -0.7521 1.1400 1.1402 1.2716 1.2781 6.6585 6.6618 7.7200 7.7218 7.7543 7.7552 8.2901 8.3215 8.3653 8.3730 8.6757 8.6861 8.7846 8.8017 9.4549 9.4655 9.5681 9.5708 12.8431 12.8452 13.8951 13.9021 13.9939 14.0008 14.8017 14.8064 k = 0.3875-0.0011-0.0011 ( 2763 PWs) bands (ev): -45.9362 -45.9362 -22.6658 -22.6653 -22.0283 -22.0277 -21.9948 -21.9947 -14.2919 -14.2918 -6.6912 -6.6894 -5.7993 -5.7993 -5.5952 -5.5925 -0.7484 -0.7468 1.1453 1.1455 1.2813 1.2873 6.6162 6.6192 7.7053 7.7071 7.7364 7.7370 8.2750 8.3058 8.3483 8.3537 8.6615 8.6723 8.7691 8.7848 9.4416 9.4504 9.5574 9.5597 12.8472 12.8491 13.9340 13.9404 14.0326 14.0391 14.8000 14.8045 k = 0.4000-0.0011-0.0011 ( 2757 PWs) bands (ev): -45.9362 -45.9362 -22.6662 -22.6657 -22.0291 -22.0285 -21.9947 -21.9947 -14.2889 -14.2888 -6.6995 -6.6979 -5.7985 -5.7984 -5.5844 -5.5819 -0.7434 -0.7419 1.1502 1.1504 1.2903 1.2958 6.5778 6.5804 7.6917 7.6934 7.7200 7.7203 8.2613 8.2912 8.3327 8.3359 8.6488 8.6597 8.7561 8.7702 9.4295 9.4368 9.5477 9.5497 12.8509 12.8526 13.9696 13.9754 14.0680 14.0742 14.7983 14.8026 k = 0.4125-0.0012-0.0012 ( 2758 PWs) bands (ev): -45.9361 -45.9361 -22.6665 -22.6661 -22.0298 -22.0293 -21.9946 -21.9946 -14.2862 -14.2861 -6.7070 -6.7056 -5.7977 -5.7977 -5.5746 -5.5724 -0.7389 -0.7375 1.1546 1.1547 1.2984 1.3033 6.5435 6.5457 7.6795 7.6810 7.7053 7.7053 8.2493 8.2774 8.3185 8.3198 8.6378 8.6484 8.7453 8.7577 9.4186 9.4247 9.5391 9.5408 12.8543 12.8557 14.0017 14.0069 14.1000 14.1057 14.7966 14.8006 k = 0.4250-0.0012-0.0012 ( 2756 PWs) bands (ev): -45.9361 -45.9361 -22.6668 -22.6664 -22.0304 -22.0300 -21.9946 -21.9946 -14.2838 -14.2838 -6.7136 -6.7124 -5.7970 -5.7970 -5.5658 -5.5639 -0.7350 -0.7338 1.1585 1.1586 1.3056 1.3099 6.5133 6.5153 7.6686 7.6700 7.6922 7.6924 8.2389 8.2646 8.3058 8.3059 8.6285 8.6383 8.7365 8.7472 9.4092 9.4141 9.5317 9.5331 12.8573 12.8585 14.0301 14.0346 14.1283 14.1334 14.7950 14.7987 k = 0.4375-0.0012-0.0012 ( 2756 PWs) bands (ev): -45.9361 -45.9361 -22.6670 -22.6667 -22.0309 -22.0306 -21.9946 -21.9945 -14.2818 -14.2818 -6.7193 -6.7183 -5.7964 -5.7964 -5.5582 -5.5566 -0.7316 -0.7305 1.1618 1.1619 1.3118 1.3155 6.4876 6.4892 7.6593 7.6605 7.6809 7.6812 8.2303 8.2529 8.2940 8.2950 8.6208 8.6295 8.7295 8.7384 9.4012 9.4050 9.5253 9.5265 12.8598 12.8609 14.0544 14.0583 14.1527 14.1571 14.7936 14.7968 k = 0.4500-0.0013-0.0013 ( 2756 PWs) bands (ev): -45.9361 -45.9361 -22.6672 -22.6670 -22.0313 -22.0310 -21.9945 -21.9945 -14.2801 -14.2801 -6.7240 -6.7232 -5.7960 -5.7960 -5.5519 -5.5506 -0.7287 -0.7279 1.1646 1.1647 1.3171 1.3200 6.4663 6.4676 7.6516 7.6525 7.6716 7.6720 8.2236 8.2424 8.2846 8.2860 8.6147 8.6220 8.7242 8.7312 9.3946 9.3975 9.5201 9.5210 12.8620 12.8628 14.0747 14.0778 14.1731 14.1768 14.7925 14.7951 k = 0.4625-0.0013-0.0013 ( 2756 PWs) bands (ev): -45.9361 -45.9361 -22.6674 -22.6672 -22.0317 -22.0314 -21.9945 -21.9945 -14.2788 -14.2788 -6.7277 -6.7271 -5.7956 -5.7956 -5.5468 -5.5459 -0.7265 -0.7258 1.1667 1.1668 1.3213 1.3235 6.4498 6.4507 7.6455 7.6462 7.6644 7.6648 8.2189 8.2334 8.2774 8.2788 8.6103 8.6160 8.7204 8.7256 9.3895 9.3916 9.5161 9.5168 12.8637 12.8643 14.0907 14.0931 14.1893 14.1921 14.7916 14.7936 k = 0.4750-0.0013-0.0013 ( 2752 PWs) bands (ev): -45.9361 -45.9361 -22.6675 -22.6673 -22.0319 -22.0317 -21.9945 -21.9945 -14.2778 -14.2778 -6.7303 -6.7299 -5.7953 -5.7953 -5.5431 -5.5425 -0.7248 -0.7244 1.1683 1.1684 1.3244 1.3259 6.4379 6.4386 7.6412 7.6416 7.6592 7.6595 8.2162 8.2260 8.2724 8.2735 8.6075 8.6114 8.7180 8.7215 9.3859 9.3873 9.5132 9.5137 12.8649 12.8653 14.1024 14.1040 14.2011 14.2030 14.7910 14.7924 k = 0.4875-0.0014-0.0014 ( 2754 PWs) bands (ev): -45.9361 -45.9361 -22.6675 -22.6674 -22.0320 -22.0319 -21.9945 -21.9945 -14.2773 -14.2773 -6.7319 -6.7317 -5.7952 -5.7952 -5.5409 -5.5405 -0.7238 -0.7236 1.1693 1.1693 1.3264 1.3272 6.4308 6.4312 7.6386 7.6388 7.6562 7.6563 8.2156 8.2205 8.2696 8.2702 8.6062 8.6082 8.7169 8.7186 9.3839 9.3846 9.5116 9.5118 12.8657 12.8659 14.1096 14.1104 14.2084 14.2094 14.7908 14.7915 k = 0.5000-0.0014-0.0014 ( 2750 PWs) bands (ev): -45.9361 -45.9361 -22.6675 -22.6675 -22.0320 -22.0320 -21.9945 -21.9945 -14.2771 -14.2771 -6.7323 -6.7323 -5.7951 -5.7951 -5.5400 -5.5400 -0.7234 -0.7234 1.1696 1.1696 1.3274 1.3274 6.4286 6.4286 7.6378 7.6378 7.6552 7.6552 8.2170 8.2170 8.2688 8.2688 8.6064 8.6064 8.7171 8.7171 9.3834 9.3834 9.5111 9.5111 12.8661 12.8661 14.1122 14.1122 14.2112 14.2112 14.7910 14.7910 k = 0.5000-0.0014-0.0014 ( 2750 PWs) bands (ev): -45.9361 -45.9361 -22.6675 -22.6675 -22.0320 -22.0320 -21.9945 -21.9945 -14.2771 -14.2771 -6.7323 -6.7323 -5.7951 -5.7951 -5.5400 -5.5400 -0.7234 -0.7234 1.1696 1.1696 1.3274 1.3274 6.4286 6.4286 7.6378 7.6378 7.6552 7.6552 8.2170 8.2170 8.2688 8.2688 8.6064 8.6064 8.7171 8.7171 9.3834 9.3834 9.5111 9.5111 12.8661 12.8661 14.1122 14.1122 14.2112 14.2112 14.7910 14.7910 k = 0.5000 0.0075-0.0103 ( 2752 PWs) bands (ev): -45.9361 -45.9361 -22.6676 -22.6675 -22.0320 -22.0320 -21.9946 -21.9945 -14.2770 -14.2770 -6.7317 -6.7314 -5.7952 -5.7948 -5.5405 -5.5402 -0.7250 -0.7220 1.1669 1.1721 1.3259 1.3275 6.4280 6.4286 7.6327 7.6392 7.6534 7.6596 8.1978 8.2232 8.2470 8.2764 8.5996 8.6293 8.7066 8.7395 9.3672 9.3823 9.5084 9.5244 12.8659 12.8682 14.1114 14.1126 14.2107 14.2118 14.7942 14.7952 k = 0.5000 0.0164-0.0192 ( 2752 PWs) bands (ev): -45.9361 -45.9361 -22.6677 -22.6675 -22.0321 -22.0320 -21.9948 -21.9945 -14.2766 -14.2766 -6.7295 -6.7290 -5.7949 -5.7942 -5.5417 -5.5412 -0.7271 -0.7210 1.1641 1.1745 1.3232 1.3263 6.4269 6.4281 7.6260 7.6353 7.6559 7.6644 8.1660 8.2108 8.2185 8.2725 8.6093 8.6621 8.7109 8.7710 9.3398 9.3636 9.5168 9.5422 12.8677 12.8723 14.1101 14.1126 14.2103 14.2125 14.8049 14.8070 k = 0.5000 0.0252-0.0281 ( 2750 PWs) bands (ev): -45.9361 -45.9361 -22.6678 -22.6675 -22.0322 -22.0320 -21.9950 -21.9946 -14.2760 -14.2760 -6.7258 -6.7251 -5.7944 -5.7933 -5.5437 -5.5429 -0.7294 -0.7204 1.1610 1.1767 1.3192 1.3239 6.4252 6.4270 7.6182 7.6286 7.6600 7.6691 8.1240 8.1635 8.2063 8.2606 8.6320 8.6940 8.7349 8.8091 9.3059 9.3335 9.5300 9.5599 12.8717 12.8784 14.1086 14.1121 14.2102 14.2133 14.8228 14.8260 k = 0.5000 0.0341-0.0370 ( 2750 PWs) bands (ev): -45.9360 -45.9360 -22.6680 -22.6676 -22.0323 -22.0320 -21.9954 -21.9949 -14.2752 -14.2752 -6.7206 -6.7197 -5.7937 -5.7922 -5.5464 -5.5453 -0.7321 -0.7201 1.1577 1.1785 1.3140 1.3203 6.4231 6.4254 7.6092 7.6203 7.6644 7.6735 8.0746 8.1087 8.1894 8.2433 8.6634 8.7216 8.7766 8.8514 9.2679 9.2971 9.5433 9.5754 12.8780 12.8868 14.1071 14.1114 14.2102 14.2141 14.8478 14.8519 k = 0.5000 0.0430-0.0459 ( 2746 PWs) bands (ev): -45.9360 -45.9360 -22.6682 -22.6678 -22.0325 -22.0321 -21.9958 -21.9951 -14.2742 -14.2742 -6.7139 -6.7128 -5.7927 -5.7908 -5.5497 -5.5484 -0.7353 -0.7203 1.1539 1.1799 1.3079 1.3156 6.4204 6.4233 7.5988 7.6107 7.6686 7.6774 8.0202 8.0497 8.1701 8.2229 8.7004 8.7515 8.8251 8.8961 9.2271 9.2569 9.5544 9.5876 12.8868 12.8976 14.1056 14.1106 14.2105 14.2149 14.8795 14.8845 k = 0.5000 0.0519-0.0548 ( 2746 PWs) bands (ev): -45.9360 -45.9360 -22.6685 -22.6679 -22.0326 -22.0322 -21.9963 -21.9955 -14.2729 -14.2729 -6.7057 -6.7043 -5.7914 -5.7891 -5.5537 -5.5521 -0.7389 -0.7210 1.1496 1.1804 1.3009 1.3099 6.4174 6.4208 7.5866 7.5996 7.6724 7.6808 7.9628 7.9888 8.1498 8.2012 8.7410 8.7853 8.8752 8.9415 9.1844 9.2146 9.5623 9.5960 12.8984 12.9110 14.1044 14.1098 14.2110 14.2159 14.9174 14.9232 k = 0.5000 0.0607-0.0637 ( 2746 PWs) bands (ev): -45.9360 -45.9360 -22.6688 -22.6682 -22.0328 -22.0323 -21.9969 -21.9959 -14.2715 -14.2715 -6.6961 -6.6945 -5.7898 -5.7872 -5.5583 -5.5564 -0.7430 -0.7222 1.1445 1.1799 1.2933 1.3034 6.4139 6.4179 7.5720 7.5865 7.6756 7.6836 7.9041 7.9280 8.1292 8.1791 8.7839 8.8226 8.9245 8.9859 9.1411 9.1719 9.5667 9.6005 12.9130 12.9272 14.1035 14.1092 14.2118 14.2169 14.9611 14.9676 k = 0.5000 0.0696-0.0726 ( 2750 PWs) bands (ev): -45.9360 -45.9360 -22.6691 -22.6684 -22.0330 -22.0324 -21.9975 -21.9965 -14.2698 -14.2698 -6.6850 -6.6831 -5.7880 -5.7851 -5.5634 -5.5613 -0.7476 -0.7241 1.1384 1.1779 1.2857 1.2963 6.4101 6.4146 7.5543 7.5705 7.6780 7.6855 7.8459 7.8691 8.1092 8.1575 8.8281 8.8621 8.9704 9.0251 9.0998 9.1333 9.5674 9.6010 12.9308 12.9465 14.1032 14.1090 14.2129 14.2182 15.0101 15.0173 k = 0.5000 0.0785-0.0815 ( 2750 PWs) bands (ev): -45.9359 -45.9359 -22.6695 -22.6687 -22.0333 -22.0326 -21.9982 -21.9971 -14.2679 -14.2679 -6.6725 -6.6704 -5.7859 -5.7827 -5.5690 -5.5666 -0.7529 -0.7266 1.1311 1.1738 1.2783 1.2887 6.4061 6.4109 7.5325 7.5506 7.6794 7.6864 7.7902 7.8135 8.0899 8.1368 8.8720 8.9018 9.0022 9.0388 9.0745 9.1185 9.5644 9.5976 12.9520 12.9689 14.1034 14.1093 14.2145 14.2198 15.0640 15.0717 k = 0.5000 0.0874-0.0904 ( 2748 PWs) bands (ev): -45.9359 -45.9359 -22.6699 -22.6691 -22.0335 -22.0327 -21.9990 -21.9978 -14.2658 -14.2658 -6.6585 -6.6563 -5.7836 -5.7800 -5.5750 -5.5724 -0.7588 -0.7299 1.1224 1.1672 1.2717 1.2808 6.4018 6.4071 7.5056 7.5251 7.6797 7.6859 7.7396 7.7631 8.0719 8.1173 8.9106 8.9319 8.9988 9.0165 9.0934 9.1452 9.5580 9.5905 12.9766 12.9947 14.1044 14.1102 14.2166 14.2219 15.1223 15.1305 k = 0.5000 0.0963-0.0993 ( 2742 PWs) bands (ev): -45.9359 -45.9359 -22.6704 -22.6694 -22.0337 -22.0329 -21.9999 -21.9985 -14.2635 -14.2635 -6.6432 -6.6407 -5.7811 -5.7772 -5.5813 -5.5785 -0.7655 -0.7340 1.1121 1.1578 1.2660 1.2727 6.3974 6.4030 7.4728 7.4925 7.6785 7.6822 7.6980 7.7190 8.0551 8.0993 8.9165 8.9235 9.0097 9.0164 9.1332 9.1843 9.5486 9.5802 13.0048 13.0238 14.1061 14.1117 14.2193 14.2245 15.1845 15.1932 k = 0.5000 0.1051-0.1082 ( 2742 PWs) bands (ev): -45.9358 -45.9358 -22.6708 -22.6698 -22.0340 -22.0331 -22.0008 -21.9993 -14.2610 -14.2610 -6.6266 -6.6239 -5.7783 -5.7741 -5.5880 -5.5850 -0.7730 -0.7389 1.0999 1.1454 1.2612 1.2644 6.3929 6.3988 7.4341 7.4524 7.6578 7.6759 7.6804 7.6847 8.0398 8.0827 8.8772 8.8915 9.0423 9.0579 9.1758 9.2251 9.5365 9.5670 13.0365 13.0562 14.1086 14.1141 14.2226 14.2278 15.2504 15.2594 k = 0.5000 0.1140-0.1171 ( 2742 PWs) bands (ev): -45.9358 -45.9358 -22.6713 -22.6703 -22.0343 -22.0333 -22.0018 -22.0002 -14.2584 -14.2584 -6.6087 -6.6058 -5.7753 -5.7707 -5.5948 -5.5916 -0.7814 -0.7449 1.0859 1.1302 1.2560 1.2571 6.3883 6.3945 7.3906 7.4063 7.6299 7.6497 7.6714 7.6780 8.0258 8.0677 8.8318 8.8472 9.0875 9.1044 9.2180 9.2654 9.5225 9.5516 13.0716 13.0918 14.1120 14.1172 14.2268 14.2318 15.3194 15.3287 k = 0.5000 0.1229-0.1261 ( 2740 PWs) bands (ev): -45.9358 -45.9358 -22.6719 -22.6707 -22.0346 -22.0336 -22.0028 -22.0011 -14.2556 -14.2555 -6.5895 -6.5864 -5.7721 -5.7672 -5.6018 -5.5984 -0.7906 -0.7518 1.0700 1.1127 1.2474 1.2531 6.3838 6.3901 7.3442 7.3568 7.6066 7.6229 7.6649 7.6708 8.0130 8.0540 8.7854 8.8002 9.1358 9.1526 9.2592 9.3046 9.5073 9.5346 13.1100 13.1306 14.1163 14.1213 14.2317 14.2366 15.3911 15.4007 k = 0.5000 0.1318-0.1350 ( 2744 PWs) bands (ev): -45.9357 -45.9357 -22.6725 -22.6713 -22.0349 -22.0339 -22.0039 -22.0021 -14.2526 -14.2526 -6.5690 -6.5658 -5.7686 -5.7635 -5.6089 -5.6053 -0.8008 -0.7597 1.0522 1.0930 1.2383 1.2490 6.3794 6.3857 7.2966 7.3063 7.5862 7.5993 7.6561 7.6617 8.0014 8.0417 8.7389 8.7526 9.1850 9.2015 9.2990 9.3422 9.4918 9.5169 13.1514 13.1723 14.1216 14.1262 14.2376 14.2423 15.4654 15.4751 k = 0.5000 0.1407-0.1439 ( 2744 PWs) bands (ev): -45.9357 -45.9357 -22.6731 -22.6718 -22.0353 -22.0341 -22.0051 -22.0032 -14.2495 -14.2494 -6.5474 -6.5440 -5.7650 -5.7596 -5.6160 -5.6122 -0.8120 -0.7687 1.0326 1.0714 1.2287 1.2442 6.3752 6.3814 7.2495 7.2564 7.5673 7.5775 7.6451 7.6504 7.9908 8.0305 8.6931 8.7052 9.2344 9.2507 9.3372 9.3773 9.4776 9.4995 13.1957 13.2167 14.1278 14.1322 14.2444 14.2490 15.5417 15.5515 k = 0.5000 0.1495-0.1528 ( 2748 PWs) bands (ev): -45.9356 -45.9356 -22.6737 -22.6724 -22.0356 -22.0345 -22.0063 -22.0043 -14.2462 -14.2462 -6.5247 -6.5211 -5.7612 -5.7556 -5.6229 -5.6190 -0.8241 -0.7788 1.0114 1.0483 1.2182 1.2384 6.3711 6.3771 7.2040 7.2086 7.5490 7.5569 7.6318 7.6369 7.9809 8.0202 8.6480 8.6584 9.2837 9.2998 9.3733 9.4071 9.4679 9.4841 13.2425 13.2636 14.1351 14.1393 14.2522 14.2566 15.6198 15.6297 k = 0.5000 0.1584-0.1617 ( 2750 PWs) bands (ev): -45.9356 -45.9356 -22.6744 -22.6730 -22.0360 -22.0348 -22.0075 -22.0055 -14.2428 -14.2428 -6.5009 -6.4972 -5.7572 -5.7514 -5.6298 -5.6257 -0.8373 -0.7900 0.9887 1.0239 1.2066 1.2312 6.3671 6.3729 7.1612 7.1636 7.5304 7.5369 7.6162 7.6213 7.9716 8.0108 8.6039 8.6124 9.3323 9.3485 9.4047 9.4235 9.4651 9.4809 13.2917 13.3126 14.1435 14.1474 14.2609 14.2652 15.6994 15.7093 k = 0.5000 0.1673-0.1706 ( 2750 PWs) bands (ev): -45.9356 -45.9356 -22.6750 -22.6736 -22.0364 -22.0351 -22.0088 -22.0067 -14.2393 -14.2393 -6.4761 -6.4722 -5.7530 -5.7470 -5.6364 -5.6322 -0.8514 -0.8024 0.9647 0.9982 1.1937 1.2224 6.3634 6.3687 7.1212 7.1227 7.5106 7.5171 7.5985 7.6038 7.9627 8.0020 8.5607 8.5674 9.3796 9.3962 9.4155 9.4332 9.4675 9.5035 13.3427 13.3636 14.1529 14.1566 14.2707 14.2749 15.7802 15.7901 k = 0.5000 0.1762-0.1795 ( 2748 PWs) bands (ev): -45.9355 -45.9355 -22.6757 -22.6742 -22.0367 -22.0354 -22.0101 -22.0079 -14.2357 -14.2357 -6.4503 -6.4463 -5.7487 -5.7425 -5.6427 -5.6384 -0.8665 -0.8158 0.9395 0.9715 1.1792 1.2118 6.3597 6.3645 7.0840 7.0871 7.4894 7.4970 7.5787 7.5845 7.9542 7.9939 8.5186 8.5233 9.4081 9.4233 9.4358 9.4445 9.4924 9.5339 13.3955 13.4161 14.1635 14.1669 14.2814 14.2855 15.8619 15.8718 k = 0.5000 0.1850-0.1884 ( 2748 PWs) bands (ev): -45.9354 -45.9354 -22.6764 -22.6749 -22.0371 -22.0358 -22.0114 -22.0091 -14.2320 -14.2319 -6.4237 -6.4195 -5.7443 -5.7379 -5.6487 -5.6443 -0.8826 -0.8304 0.9133 0.9440 1.1630 1.1991 6.3562 6.3604 7.0510 7.0561 7.4665 7.4760 7.5573 7.5638 7.9459 7.9862 8.4773 8.4803 9.4051 9.4238 9.4750 9.4887 9.5253 9.5660 13.4495 13.4698 14.1752 14.1784 14.2931 14.2971 15.9442 15.9540 k = 0.5000 0.1939-0.1973 ( 2746 PWs) bands (ev): -45.9354 -45.9354 -22.6771 -22.6756 -22.0375 -22.0361 -22.0128 -22.0105 -14.2282 -14.2282 -6.3962 -6.3919 -5.7397 -5.7332 -5.6542 -5.6498 -0.8997 -0.8460 0.8862 0.9157 1.1449 1.1842 6.3527 6.3562 7.0225 7.0300 7.4418 7.4534 7.5344 7.5419 7.9380 7.9789 8.4369 8.4385 9.4040 9.4211 9.5183 9.5301 9.5615 9.5989 13.5046 13.5246 14.1881 14.1911 14.3058 14.3097 16.0269 16.0366 k = 0.5000 0.2028-0.2062 ( 2746 PWs) bands (ev): -45.9353 -45.9353 -22.6779 -22.6763 -22.0379 -22.0365 -22.0142 -22.0118 -14.2243 -14.2243 -6.3679 -6.3635 -5.7350 -5.7284 -5.6593 -5.6549 -0.9176 -0.8626 0.8583 0.8868 1.1247 1.1669 6.3491 6.3519 6.9989 7.0089 7.4152 7.4289 7.5106 7.5193 7.9303 7.9721 8.3969 8.3986 9.4065 9.4219 9.5597 9.5670 9.6008 9.6323 13.5605 13.5800 14.2021 14.2049 14.3194 14.3233 16.1096 16.1192 k = 0.5000 0.2117-0.2151 ( 2754 PWs) bands (ev): -45.9353 -45.9353 -22.6786 -22.6770 -22.0383 -22.0369 -22.0156 -22.0132 -14.2204 -14.2204 -6.3389 -6.3345 -5.7303 -5.7235 -5.6639 -5.6595 -0.9365 -0.8803 0.8298 0.8573 1.1023 1.1472 6.3452 6.3475 6.9801 6.9929 7.3865 7.4024 7.4859 7.4962 7.9228 7.9657 8.3576 8.3606 9.4130 9.4268 9.5976 9.6011 9.6422 9.6667 13.6168 13.6359 14.2173 14.2198 14.3339 14.3377 16.1921 16.2015 k = 0.5000 0.2206-0.2240 ( 2746 PWs) bands (ev): -45.9352 -45.9352 -22.6793 -22.6777 -22.0386 -22.0372 -22.0170 -22.0145 -14.2165 -14.2165 -6.3094 -6.3049 -5.7255 -5.7186 -5.6679 -5.6635 -0.9561 -0.8989 0.8008 0.8274 1.0778 1.1251 6.3411 6.3429 6.9662 6.9819 7.3561 7.3739 7.4606 7.4728 7.9156 7.9597 8.3198 8.3241 9.4236 9.4359 9.6298 9.6360 9.6840 9.7020 13.6732 13.6918 14.2335 14.2359 14.3492 14.3530 16.2740 16.2833 k = 0.5000 0.2294-0.2329 ( 2746 PWs) bands (ev): -45.9352 -45.9352 -22.6801 -22.6784 -22.0390 -22.0376 -22.0184 -22.0159 -14.2125 -14.2125 -6.2793 -6.2747 -5.7207 -5.7137 -5.6712 -5.6669 -0.9766 -0.9183 0.7715 0.7973 1.0512 1.1006 6.3364 6.3381 6.9569 6.9758 7.3243 7.3439 7.4345 7.4491 7.9086 7.9539 8.2838 8.2895 9.4384 9.4492 9.6595 9.6694 9.7252 9.7380 13.7296 13.7476 14.2508 14.2530 14.3653 14.3691 16.3549 16.3641 k = 0.5000 0.2383-0.2418 ( 2744 PWs) bands (ev): -45.9351 -45.9351 -22.6809 -22.6792 -22.0394 -22.0380 -22.0198 -22.0173 -14.2085 -14.2085 -6.2487 -6.2441 -5.7160 -5.7089 -5.6738 -5.6697 -0.9977 -0.9387 0.7418 0.7669 1.0223 1.0736 6.3311 6.3330 6.9517 6.9740 7.2919 7.3132 7.4075 7.4248 7.9017 7.9484 8.2502 8.2571 9.4570 9.4665 9.6880 9.7006 9.7655 9.7744 13.7856 13.8031 14.2692 14.2712 14.3822 14.3859 16.4346 16.4437 k = 0.5000 0.2472-0.2507 ( 2736 PWs) bands (ev): -45.9351 -45.9351 -22.6816 -22.6799 -22.0398 -22.0383 -22.0212 -22.0187 -14.2045 -14.2045 -6.2178 -6.2131 -5.7113 -5.7042 -5.6757 -5.6718 -1.0194 -0.9598 0.7121 0.7364 0.9915 1.0443 6.3252 6.3275 6.9499 6.9757 7.2597 7.2829 7.3796 7.4001 7.8949 7.9429 8.2193 8.2273 9.4793 9.4877 9.7158 9.7302 9.8045 9.8106 13.8410 13.8580 14.2885 14.2904 14.3997 14.4034 16.5125 16.5216 k = 0.5000 0.2561-0.2596 ( 2736 PWs) bands (ev): -45.9350 -45.9350 -22.6823 -22.6807 -22.0402 -22.0387 -22.0226 -22.0201 -14.2005 -14.2005 -6.1866 -6.1819 -5.7067 -5.6996 -5.6767 -5.6732 -1.0418 -0.9816 0.6823 0.7060 0.9587 1.0129 6.3187 6.3214 6.9503 6.9796 7.2292 7.2543 7.3504 7.3748 7.8881 7.9375 8.1915 8.2004 9.5050 9.5123 9.7431 9.7585 9.8421 9.8462 13.8957 13.9120 14.3088 14.3105 14.4178 14.4214 16.5882 16.5973 k = 0.5000 0.2650-0.2685 ( 2738 PWs) bands (ev): -45.9349 -45.9349 -22.6831 -22.6814 -22.0406 -22.0391 -22.0241 -22.0215 -14.1965 -14.1965 -6.1551 -6.1505 -5.7025 -5.6953 -5.6768 -5.6736 -1.0645 -1.0040 0.6526 0.6756 0.9241 0.9794 6.3116 6.3145 6.9514 6.9836 7.2021 7.2293 7.3200 7.3493 7.8815 7.9320 8.1671 8.1767 9.5337 9.5400 9.7699 9.7858 9.8782 9.8809 13.9493 13.9651 14.3299 14.3314 14.4364 14.4400 16.6611 16.6704 k = 0.5000 0.2738-0.2774 ( 2746 PWs) bands (ev): -45.9349 -45.9349 -22.6839 -22.6822 -22.0410 -22.0396 -22.0255 -22.0230 -14.1926 -14.1926 -6.1236 -6.1190 -5.6985 -5.6914 -5.6760 -5.6731 -1.0877 -1.0270 0.6231 0.6455 0.8880 0.9441 6.3038 6.3069 6.9508 6.9843 7.1805 7.2107 7.2883 7.3243 7.8750 7.9265 8.1463 8.1564 9.5650 9.5705 9.7963 9.8123 9.9127 9.9144 14.0018 14.0169 14.3518 14.3532 14.4554 14.4590 16.7307 16.7403 k = 0.5000 0.2827-0.2863 ( 2748 PWs) bands (ev): -45.9348 -45.9348 -22.6846 -22.6830 -22.0414 -22.0400 -22.0269 -22.0244 -14.1887 -14.1887 -6.0921 -6.0875 -5.6950 -5.6878 -5.6744 -5.6714 -1.1112 -1.0505 0.5939 0.6156 0.8505 0.9072 6.2952 6.2985 6.9462 6.9784 7.1654 7.2015 7.2553 7.3015 7.8687 7.9211 8.1291 8.1395 9.5987 9.6033 9.8224 9.8383 9.9456 9.9468 14.0530 14.0674 14.3744 14.3756 14.4748 14.4783 16.7961 16.8062 k = 0.5000 0.2916-0.2952 ( 2744 PWs) bands (ev): -45.9348 -45.9348 -22.6854 -22.6837 -22.0417 -22.0403 -22.0282 -22.0257 -14.1849 -14.1849 -6.0607 -6.0562 -5.6919 -5.6847 -5.6720 -5.6685 -1.1349 -1.0743 0.5651 0.5861 0.8119 0.8689 6.2858 6.2892 6.9360 6.9644 7.1540 7.2043 7.2211 7.2842 7.8629 7.9159 8.1155 8.1258 9.6343 9.6382 9.8483 9.8639 9.9766 9.9779 14.1026 14.1163 14.3976 14.3986 14.4944 14.4978 16.8565 16.8674 k = 0.5000 0.3005-0.3041 ( 2738 PWs) bands (ev): -45.9347 -45.9347 -22.6860 -22.6844 -22.0421 -22.0407 -22.0295 -22.0270 -14.1811 -14.1811 -6.0295 -6.0250 -5.6889 -5.6818 -5.6689 -5.6649 -1.1588 -1.0985 0.5367 0.5572 0.7724 0.8296 6.2756 6.2788 6.9203 6.9437 7.1406 7.1859 7.2184 7.2771 7.8579 7.9114 8.1052 8.1153 9.6715 9.6748 9.8740 9.8892 10.0060 10.0076 14.1506 14.1636 14.4213 14.4222 14.5143 14.5176 16.9111 16.9231 k = 0.5000 0.3093-0.3130 ( 2742 PWs) bands (ev): -45.9347 -45.9347 -22.6868 -22.6852 -22.0424 -22.0411 -22.0308 -22.0284 -14.1775 -14.1774 -5.9986 -5.9943 -5.6860 -5.6789 -5.6652 -5.6609 -1.1826 -1.1229 0.5090 0.5287 0.7324 0.7894 6.2643 6.2675 6.9002 6.9190 7.1209 7.1499 7.2407 7.2833 7.8538 7.9078 8.0977 8.1074 9.7100 9.7126 9.8995 9.9143 10.0338 10.0358 14.1968 14.2090 14.4455 14.4461 14.5342 14.5374 16.9587 16.9724 k = 0.5000 0.3182-0.3219 ( 2740 PWs) bands (ev): -45.9346 -45.9346 -22.6874 -22.6859 -22.0428 -22.0415 -22.0320 -22.0296 -14.1739 -14.1739 -5.9681 -5.9639 -5.6829 -5.6759 -5.6611 -5.6566 -1.2064 -1.1473 0.4819 0.5010 0.6921 0.7486 6.2521 6.2551 6.8776 6.8927 7.0950 7.1135 7.2679 7.3018 7.8510 7.9054 8.0927 8.1020 9.7494 9.7515 9.9250 9.9391 10.0600 10.0624 14.2411 14.2525 14.4699 14.4704 14.5541 14.5572 16.9986 17.0142 k = 0.5000 0.3271-0.3308 ( 2740 PWs) bands (ev): -45.9346 -45.9346 -22.6881 -22.6866 -22.0431 -22.0419 -22.0332 -22.0309 -14.1704 -14.1704 -5.9382 -5.9341 -5.6795 -5.6728 -5.6567 -5.6523 -1.2300 -1.1718 0.4555 0.4739 0.6517 0.7076 6.2388 6.2416 6.8540 6.8661 7.0649 7.0770 7.2979 7.3290 7.8497 7.9047 8.0898 8.0987 9.7893 9.7909 9.9503 9.9639 10.0847 10.0875 14.2833 14.2939 14.4945 14.4949 14.5738 14.5768 17.0299 17.0479 k = 0.5000 0.3360-0.3397 ( 2744 PWs) bands (ev): -45.9345 -45.9345 -22.6888 -22.6873 -22.0435 -22.0423 -22.0344 -22.0322 -14.1670 -14.1670 -5.9088 -5.9049 -5.6759 -5.6694 -5.6523 -5.6479 -1.2533 -1.1962 0.4300 0.4477 0.6116 0.6666 6.2244 6.2270 6.8305 6.8404 7.0326 7.0405 7.3295 7.3614 7.8502 7.9059 8.0884 8.0971 9.8296 9.8307 9.9756 9.9884 10.1079 10.1110 14.3234 14.3332 14.5193 14.5195 14.5934 14.5963 17.0521 17.0730 k = 0.5000 0.3449-0.3486 ( 2744 PWs) bands (ev): -45.9345 -45.9345 -22.6894 -22.6880 -22.0438 -22.0426 -22.0355 -22.0333 -14.1638 -14.1637 -5.8802 -5.8766 -5.6720 -5.6657 -5.6478 -5.6435 -1.2761 -1.2205 0.4055 0.4224 0.5720 0.6258 6.2091 6.2114 6.8080 6.8161 6.9993 7.0045 7.3620 7.3963 7.8528 7.9092 8.0884 8.0969 9.8698 9.8705 10.0007 10.0129 10.1295 10.1330 14.3613 14.3703 14.5439 14.5442 14.6127 14.6154 17.0654 17.0893 k = 0.5000 0.3537-0.3575 ( 2734 PWs) bands (ev): -45.9344 -45.9344 -22.6899 -22.6886 -22.0440 -22.0430 -22.0365 -22.0344 -14.1606 -14.1606 -5.8524 -5.8491 -5.6679 -5.6618 -5.6433 -5.6392 -1.2985 -1.2444 0.3819 0.3980 0.5333 0.5857 6.1928 6.1949 6.7867 6.7935 6.9658 6.9692 7.3945 7.4319 7.8577 7.9147 8.0894 8.0979 9.9096 9.9100 10.0257 10.0372 10.1497 10.1535 14.3970 14.4051 14.5683 14.5688 14.6316 14.6341 17.0705 17.0973 k = 0.5000 0.3626-0.3664 ( 2744 PWs) bands (ev): -45.9344 -45.9344 -22.6905 -22.6892 -22.0444 -22.0434 -22.0376 -22.0356 -14.1577 -14.1576 -5.8256 -5.8226 -5.6636 -5.6577 -5.6389 -5.6351 -1.3202 -1.2679 0.3594 0.3747 0.4956 0.5463 6.1758 6.1776 6.7671 6.7728 6.9327 6.9349 7.4264 7.4667 7.8653 7.9225 8.0912 8.0997 9.9487 9.9491 10.0505 10.0614 10.1684 10.1726 14.4303 14.4375 14.5924 14.5931 14.6500 14.6524 17.0685 17.0980 k = 0.5000 0.3715-0.3754 ( 2746 PWs) bands (ev): -45.9343 -45.9343 -22.6911 -22.6898 -22.0447 -22.0437 -22.0385 -22.0366 -14.1548 -14.1548 -5.7998 -5.7973 -5.6591 -5.6534 -5.6346 -5.6310 -1.3412 -1.2909 0.3380 0.3525 0.4592 0.5081 6.1581 6.1597 6.7493 6.7541 6.9004 6.9019 7.4570 7.4995 7.8757 7.9326 8.0937 8.1023 9.9867 9.9875 10.0750 10.0852 10.1858 10.1902 14.4613 14.4677 14.6160 14.6168 14.6678 14.6701 17.0609 17.0928 k = 0.5000 0.3804-0.3843 ( 2744 PWs) bands (ev): -45.9343 -45.9343 -22.6916 -22.6904 -22.0449 -22.0441 -22.0394 -22.0376 -14.1521 -14.1521 -5.7752 -5.7732 -5.6545 -5.6491 -5.6304 -5.6271 -1.3612 -1.3132 0.3178 0.3314 0.4245 0.4711 6.1401 6.1415 6.7333 6.7374 6.8691 6.8704 7.4857 7.5296 7.8891 7.9448 8.0966 8.1054 10.0234 10.0247 10.0992 10.1088 10.2017 10.2066 14.4900 14.4956 14.6390 14.6400 14.6849 14.6871 17.0493 17.0832 k = 0.5000 0.3893-0.3932 ( 2748 PWs) bands (ev): -45.9343 -45.9343 -22.6921 -22.6910 -22.0452 -22.0444 -22.0402 -22.0385 -14.1496 -14.1496 -5.7519 -5.7505 -5.6499 -5.6446 -5.6263 -5.6233 -1.3803 -1.3347 0.2989 0.3116 0.3915 0.4358 6.1220 6.1231 6.7192 6.7227 6.8393 6.8406 7.5121 7.5563 7.9054 7.9590 8.0998 8.1088 10.0588 10.0604 10.1228 10.1319 10.2163 10.2216 14.5164 14.5212 14.6611 14.6622 14.7013 14.7033 17.0353 17.0706 k = 0.5000 0.3981-0.4021 ( 2752 PWs) bands (ev): -45.9342 -45.9342 -22.6925 -22.6915 -22.0455 -22.0448 -22.0409 -22.0394 -14.1473 -14.1473 -5.7300 -5.7293 -5.6454 -5.6401 -5.6223 -5.6196 -1.3983 -1.3554 0.2813 0.2930 0.3605 0.4021 6.1041 6.1050 6.7067 6.7097 6.8112 6.8125 7.5359 7.5792 7.9243 7.9747 8.1031 8.1125 10.0924 10.0944 10.1457 10.1544 10.2296 10.2353 14.5406 14.5446 14.6823 14.6835 14.7169 14.7187 17.0202 17.0565 k = 0.5000 0.4070-0.4110 ( 2752 PWs) bands (ev): -45.9342 -45.9342 -22.6929 -22.6920 -22.0457 -22.0451 -22.0416 -22.0402 -14.1451 -14.1451 -5.7098 -5.7096 -5.6411 -5.6356 -5.6185 -5.6162 -1.4150 -1.3750 0.2651 0.2758 0.3317 0.3705 6.0866 6.0873 6.6958 6.6985 6.7850 6.7863 7.5572 7.5984 7.9454 7.9915 8.1065 8.1163 10.1240 10.1265 10.1679 10.1763 10.2416 10.2478 14.5625 14.5659 14.7022 14.7034 14.7315 14.7332 17.0053 17.0420 k = 0.5000 0.4159-0.4199 ( 2752 PWs) bands (ev): -45.9342 -45.9342 -22.6933 -22.6924 -22.0460 -22.0455 -22.0421 -22.0409 -14.1431 -14.1431 -5.6922 -5.6908 -5.6369 -5.6310 -5.6148 -5.6129 -1.4303 -1.3936 0.2503 0.2600 0.3052 0.3410 6.0698 6.0703 6.6865 6.6887 6.7609 6.7622 7.5759 7.6141 7.9678 8.0088 8.1099 8.1201 10.1533 10.1563 10.1890 10.1972 10.2524 10.2592 14.5822 14.5851 14.7207 14.7220 14.7452 14.7467 16.9914 17.0280 k = 0.5000 0.4248-0.4288 ( 2748 PWs) bands (ev): -45.9342 -45.9342 -22.6936 -22.6928 -22.0462 -22.0458 -22.0426 -22.0415 -14.1413 -14.1413 -5.6765 -5.6738 -5.6330 -5.6262 -5.6114 -5.6097 -1.4442 -1.4108 0.2370 0.2455 0.2813 0.3138 6.0539 6.0543 6.6785 6.6804 6.7389 6.7403 7.5921 7.6268 7.9908 8.0261 8.1132 8.1238 10.1801 10.1835 10.2091 10.2169 10.2621 10.2695 14.5999 14.6022 14.7378 14.7389 14.7578 14.7591 16.9794 17.0153 k = 0.5000 0.4337-0.4377 ( 2746 PWs) bands (ev): -45.9341 -45.9341 -22.6939 -22.6932 -22.0464 -22.0461 -22.0430 -22.0420 -14.1397 -14.1397 -5.6631 -5.6587 -5.6293 -5.6212 -5.6081 -5.6067 -1.4566 -1.4267 0.2252 0.2326 0.2599 0.2890 6.0393 6.0396 6.6717 6.6733 6.7193 6.7205 7.6060 7.6368 8.0134 8.0427 8.1163 8.1273 10.2041 10.2080 10.2277 10.2354 10.2706 10.2788 14.6154 14.6173 14.7531 14.7542 14.7692 14.7704 16.9697 17.0042 k = 0.5000 0.4425-0.4466 ( 2742 PWs) bands (ev): -45.9341 -45.9341 -22.6941 -22.6935 -22.0466 -22.0464 -22.0433 -22.0425 -14.1383 -14.1383 -5.6521 -5.6460 -5.6256 -5.6159 -5.6052 -5.6039 -1.4672 -1.4411 0.2149 0.2211 0.2414 0.2669 6.0261 6.0263 6.6660 6.6674 6.7020 6.7032 7.6179 7.6445 8.0349 8.0582 8.1191 8.1306 10.2251 10.2293 10.2449 10.2523 10.2782 10.2872 14.6289 14.6304 14.7667 14.7676 14.7795 14.7805 16.9629 16.9950 k = 0.5000 0.4514-0.4555 ( 2754 PWs) bands (ev): -45.9341 -45.9341 -22.6943 -22.6938 -22.0468 -22.0467 -22.0436 -22.0429 -14.1371 -14.1371 -5.6436 -5.6364 -5.6212 -5.6105 -5.6026 -5.6012 -1.4762 -1.4539 0.2062 0.2112 0.2257 0.2474 6.0144 6.0146 6.6614 6.6625 6.6872 6.6882 7.6280 7.6502 8.0547 8.0719 8.1216 8.1335 10.2428 10.2474 10.2604 10.2671 10.2850 10.2946 14.6404 14.6416 14.7783 14.7790 14.7886 14.7893 16.9591 16.9876 k = 0.5000 0.4603-0.4644 ( 2762 PWs) bands (ev): -45.9341 -45.9341 -22.6945 -22.6941 -22.0470 -22.0470 -22.0438 -22.0433 -14.1361 -14.1361 -5.6372 -5.6303 -5.6158 -5.6055 -5.6002 -5.5986 -1.4833 -1.4651 0.1991 0.2028 0.2129 0.2308 6.0046 6.0047 6.6576 6.6586 6.6748 6.6757 7.6364 7.6543 8.0721 8.0836 8.1239 8.1358 10.2571 10.2620 10.2737 10.2794 10.2915 10.3011 14.6499 14.6508 14.7879 14.7883 14.7964 14.7969 16.9582 16.9813 k = 0.5000 0.4692-0.4733 ( 2776 PWs) bands (ev): -45.9341 -45.9341 -22.6947 -22.6944 -22.0473 -22.0472 -22.0440 -22.0436 -14.1353 -14.1353 -5.6325 -5.6272 -5.6101 -5.6019 -5.5975 -5.5961 -1.4886 -1.4744 0.1936 0.1960 0.2031 0.2170 5.9966 5.9966 6.6548 6.6555 6.6650 6.6657 7.6432 7.6570 8.0866 8.0931 8.1260 8.1374 10.2681 10.2731 10.2845 10.2881 10.2985 10.3067 14.6574 14.6581 14.7954 14.7956 14.8028 14.8031 16.9599 16.9757 k = 0.5000 0.4780-0.4822 ( 2792 PWs) bands (ev): -45.9341 -45.9341 -22.6949 -22.6946 -22.0475 -22.0474 -22.0442 -22.0439 -14.1347 -14.1347 -5.6292 -5.6256 -5.6054 -5.6001 -5.5945 -5.5938 -1.4919 -1.4820 0.1898 0.1909 0.1962 0.2062 5.9906 5.9906 6.6528 6.6532 6.6578 6.6583 7.6487 7.6583 8.0976 8.1003 8.1282 8.1380 10.2762 10.2805 10.2924 10.2938 10.3055 10.3111 14.6630 14.6634 14.8008 14.8009 14.8078 14.8079 16.9630 16.9706 k = 0.5000 0.4869-0.4911 ( 2800 PWs) bands (ev): -45.9341 -45.9341 -22.6949 -22.6948 -22.0476 -22.0476 -22.0442 -22.0441 -14.1344 -14.1344 -5.6270 -5.6250 -5.6022 -5.5995 -5.5922 -5.5920 -1.4933 -1.4877 0.1874 0.1877 0.1926 0.1984 5.9867 5.9867 6.6514 6.6517 6.6533 6.6535 7.6530 7.6584 8.1045 8.1051 8.1309 8.1373 10.2817 10.2844 10.2973 10.2976 10.3109 10.3140 14.6666 14.6668 14.8042 14.8042 14.8110 14.8110 16.9652 16.9669 k = 0.5000 0.4958-0.5000 ( 2800 PWs) bands (ev): -45.9341 -45.9341 -22.6949 -22.6949 -22.0476 -22.0476 -22.0442 -22.0442 -14.1342 -14.1342 -5.6256 -5.6251 -5.6003 -5.5997 -5.5911 -5.5911 -1.4928 -1.4914 0.1862 0.1862 0.1922 0.1936 5.9850 5.9850 6.6506 6.6506 6.6516 6.6516 7.6560 7.6573 8.1074 8.1074 8.1338 8.1355 10.2847 10.2853 10.2995 10.2995 10.3140 10.3148 14.6682 14.6683 14.8057 14.8057 14.8125 14.8125 16.9650 16.9650 k = 0.5028 0.4986 0.4944 ( 2800 PWs) bands (ev): -45.9341 -45.9341 -22.6949 -22.6949 -22.0476 -22.0476 -22.0442 -22.0442 -14.1342 -14.1342 -5.6256 -5.6251 -5.6003 -5.5997 -5.5911 -5.5911 -1.4928 -1.4914 0.1862 0.1862 0.1922 0.1936 5.9850 5.9850 6.6506 6.6506 6.6516 6.6516 7.6560 7.6573 8.1074 8.1074 8.1338 8.1355 10.2847 10.2853 10.2995 10.2995 10.3140 10.3148 14.6682 14.6683 14.8057 14.8057 14.8125 14.8125 16.9650 16.9650 k = 0.5000 0.4986 0.4972 ( 2800 PWs) bands (ev): -45.9341 -45.9341 -22.6949 -22.6949 -22.0476 -22.0476 -22.0442 -22.0442 -14.1342 -14.1342 -5.6253 -5.6253 -5.6000 -5.6000 -5.5910 -5.5910 -1.4922 -1.4922 0.1862 0.1862 0.1928 0.1928 5.9849 5.9849 6.6505 6.6505 6.6515 6.6515 7.6567 7.6567 8.1076 8.1076 8.1347 8.1347 10.2851 10.2851 10.2996 10.2996 10.3145 10.3145 14.6684 14.6684 14.8058 14.8058 14.8126 14.8126 16.9649 16.9653 k = 0.5000 0.4986 0.4972 ( 2800 PWs) bands (ev): -45.9341 -45.9341 -22.6949 -22.6949 -22.0476 -22.0476 -22.0442 -22.0442 -14.1342 -14.1342 -5.6253 -5.6253 -5.6000 -5.6000 -5.5910 -5.5910 -1.4922 -1.4922 0.1862 0.1862 0.1928 0.1928 5.9849 5.9849 6.6505 6.6505 6.6515 6.6515 7.6567 7.6567 8.1076 8.1076 8.1347 8.1347 10.2851 10.2851 10.2996 10.2996 10.3145 10.3145 14.6684 14.6684 14.8058 14.8058 14.8126 14.8126 16.9649 16.9649 k = 0.4926 0.4913 0.4899 ( 2800 PWs) bands (ev): -45.9341 -45.9341 -22.6949 -22.6949 -22.0476 -22.0476 -22.0442 -22.0442 -14.1343 -14.1343 -5.6260 -5.6260 -5.6006 -5.6006 -5.5912 -5.5912 -1.4912 -1.4912 0.1869 0.1870 0.1944 0.1944 5.9862 5.9862 6.6513 6.6513 6.6523 6.6523 7.6562 7.6562 8.1073 8.1074 8.1328 8.1328 10.2836 10.2836 10.2979 10.2980 10.3138 10.3138 14.6675 14.6675 14.8047 14.8049 14.8116 14.8116 16.9669 16.9675 k = 0.4853 0.4839 0.4826 ( 2800 PWs) bands (ev): -45.9341 -45.9341 -22.6948 -22.6948 -22.0475 -22.0475 -22.0441 -22.0441 -14.1346 -14.1346 -5.6282 -5.6282 -5.6024 -5.6024 -5.5919 -5.5919 -1.4882 -1.4882 0.1893 0.1893 0.1993 0.1993 5.9902 5.9902 6.6535 6.6535 6.6545 6.6546 7.6547 7.6547 8.1065 8.1067 8.1274 8.1274 10.2789 10.2789 10.2930 10.2932 10.3116 10.3116 14.6650 14.6650 14.8017 14.8019 14.8086 14.8086 16.9736 16.9747 k = 0.4779 0.4766 0.4753 ( 2800 PWs) bands (ev): -45.9341 -45.9341 -22.6947 -22.6947 -22.0474 -22.0474 -22.0440 -22.0440 -14.1352 -14.1352 -5.6321 -5.6321 -5.6051 -5.6051 -5.5929 -5.5929 -1.4833 -1.4833 0.1933 0.1933 0.2074 0.2074 5.9968 5.9968 6.6572 6.6572 6.6582 6.6584 7.6521 7.6521 8.1053 8.1056 8.1185 8.1185 10.2712 10.2712 10.2850 10.2852 10.3080 10.3080 14.6609 14.6609 14.7966 14.7971 14.8037 14.8037 16.9848 16.9865 k = 0.4706 0.4693 0.4680 ( 2800 PWs) bands (ev): -45.9341 -45.9341 -22.6945 -22.6945 -22.0472 -22.0472 -22.0438 -22.0438 -14.1359 -14.1359 -5.6380 -5.6380 -5.6083 -5.6083 -5.5943 -5.5943 -1.4764 -1.4764 0.1988 0.1989 0.2187 0.2187 6.0059 6.0059 6.6624 6.6624 6.6635 6.6638 7.6485 7.6485 8.1036 8.1039 8.1063 8.1063 10.2603 10.2603 10.2738 10.2741 10.3032 10.3032 14.6551 14.6552 14.7897 14.7902 14.7968 14.7968 17.0003 17.0027 k = 0.4632 0.4619 0.4606 ( 2764 PWs) bands (ev): -45.9341 -45.9341 -22.6942 -22.6942 -22.0469 -22.0469 -22.0433 -22.0433 -14.1369 -14.1369 -5.6461 -5.6461 -5.6117 -5.6117 -5.5961 -5.5961 -1.4677 -1.4677 0.2059 0.2059 0.2332 0.2332 6.0177 6.0177 6.6691 6.6691 6.6702 6.6706 7.6437 7.6437 8.0912 8.0912 8.1014 8.1019 10.2465 10.2465 10.2598 10.2601 10.2972 10.2972 14.6478 14.6478 14.7807 14.7814 14.7879 14.7879 17.0197 17.0231 k = 0.4559 0.4546 0.4533 ( 2734 PWs) bands (ev): -45.9341 -45.9341 -22.6938 -22.6938 -22.0465 -22.0465 -22.0429 -22.0429 -14.1381 -14.1381 -5.6565 -5.6565 -5.6153 -5.6153 -5.5983 -5.5983 -1.4572 -1.4572 0.2145 0.2146 0.2508 0.2508 6.0320 6.0320 6.6773 6.6773 6.6785 6.6789 7.6376 7.6376 8.0734 8.0734 8.0988 8.0994 10.2298 10.2298 10.2429 10.2433 10.2899 10.2899 14.6388 14.6388 14.7698 14.7706 14.7771 14.7771 17.0426 17.0461 k = 0.4485 0.4473 0.4460 ( 2734 PWs) bands (ev): -45.9341 -45.9341 -22.6935 -22.6935 -22.0461 -22.0461 -22.0426 -22.0426 -14.1395 -14.1395 -5.6692 -5.6692 -5.6189 -5.6189 -5.6009 -5.6009 -1.4450 -1.4450 0.2246 0.2246 0.2713 0.2713 6.0487 6.0487 6.6868 6.6868 6.6882 6.6886 7.6300 7.6300 8.0535 8.0535 8.0958 8.0964 10.2103 10.2103 10.2235 10.2239 10.2816 10.2816 14.6283 14.6283 14.7570 14.7579 14.7644 14.7644 17.0687 17.0729 k = 0.4412 0.4399 0.4387 ( 2743 PWs) bands (ev): -45.9341 -45.9341 -22.6932 -22.6932 -22.0458 -22.0458 -22.0423 -22.0423 -14.1411 -14.1411 -5.6839 -5.6839 -5.6227 -5.6227 -5.6038 -5.6038 -1.4312 -1.4312 0.2361 0.2361 0.2947 0.2947 6.0679 6.0679 6.6978 6.6978 6.6993 6.6998 7.6209 7.6209 8.0320 8.0320 8.0923 8.0931 10.1884 10.1884 10.2017 10.2022 10.2720 10.2720 14.6163 14.6163 14.7423 14.7434 14.7497 14.7497 17.0973 17.1019 k = 0.4338 0.4326 0.4314 ( 2743 PWs) bands (ev): -45.9342 -45.9342 -22.6929 -22.6929 -22.0454 -22.0454 -22.0419 -22.0419 -14.1429 -14.1429 -5.7004 -5.7004 -5.6266 -5.6266 -5.6071 -5.6071 -1.4160 -1.4160 0.2490 0.2490 0.3208 0.3208 6.0893 6.0893 6.7102 6.7102 6.7118 6.7125 7.6100 7.6100 8.0095 8.0095 8.0884 8.0893 10.1642 10.1642 10.1779 10.1784 10.2613 10.2613 14.6027 14.6027 14.7257 14.7269 14.7333 14.7333 17.1276 17.1328 k = 0.4265 0.4253 0.4241 ( 2743 PWs) bands (ev): -45.9342 -45.9342 -22.6925 -22.6925 -22.0449 -22.0449 -22.0415 -22.0415 -14.1450 -14.1450 -5.7187 -5.7187 -5.6308 -5.6308 -5.6107 -5.6107 -1.3994 -1.3994 0.2632 0.2633 0.3496 0.3496 6.1129 6.1129 6.7240 6.7240 6.7258 6.7265 7.5973 7.5973 7.9865 7.9865 8.0842 8.0852 10.1381 10.1381 10.1522 10.1527 10.2496 10.2496 14.5877 14.5877 14.7072 14.7086 14.7150 14.7150 17.1591 17.1652 k = 0.4191 0.4179 0.4168 ( 2743 PWs) bands (ev): -45.9342 -45.9342 -22.6920 -22.6920 -22.0444 -22.0444 -22.0410 -22.0410 -14.1472 -14.1472 -5.7384 -5.7384 -5.6352 -5.6352 -5.6146 -5.6146 -1.3816 -1.3816 0.2787 0.2788 0.3808 0.3808 6.1385 6.1385 6.7391 6.7391 6.7411 6.7419 7.5824 7.5824 7.9639 7.9639 8.0796 8.0807 10.1102 10.1102 10.1249 10.1255 10.2367 10.2367 14.5712 14.5712 14.6870 14.6885 14.6948 14.6948 17.1904 17.1967 k = 0.4118 0.4106 0.4095 ( 2743 PWs) bands (ev): -45.9343 -45.9343 -22.6915 -22.6915 -22.0438 -22.0438 -22.0404 -22.0404 -14.1497 -14.1497 -5.7596 -5.7596 -5.6398 -5.6398 -5.6189 -5.6188 -1.3627 -1.3627 0.2954 0.2955 0.4143 0.4143 6.1661 6.1661 6.7555 6.7555 6.7577 6.7586 7.5655 7.5655 7.9420 7.9420 8.0747 8.0759 10.0809 10.0809 10.0963 10.0969 10.2228 10.2228 14.5533 14.5533 14.6650 14.6666 14.6730 14.6730 17.2209 17.2276 k = 0.4044 0.4033 0.4021 ( 2743 PWs) bands (ev): -45.9343 -45.9343 -22.6910 -22.6910 -22.0432 -22.0432 -22.0399 -22.0399 -14.1523 -14.1523 -5.7819 -5.7819 -5.6447 -5.6447 -5.6234 -5.6234 -1.3428 -1.3428 0.3133 0.3134 0.4499 0.4499 6.1954 6.1954 6.7732 6.7732 6.7757 6.7767 7.5464 7.5464 7.9216 7.9216 8.0695 8.0709 10.0505 10.0505 10.0668 10.0674 10.2079 10.2079 14.5340 14.5340 14.6413 14.6430 14.6494 14.6494 17.2493 17.2563 k = 0.3971 0.3959 0.3948 ( 2743 PWs) bands (ev): -45.9343 -45.9343 -22.6904 -22.6904 -22.0425 -22.0425 -22.0392 -22.0392 -14.1552 -14.1552 -5.8053 -5.8053 -5.6497 -5.6497 -5.6281 -5.6281 -1.3220 -1.3220 0.3322 0.3323 0.4875 0.4875 6.2262 6.2262 6.7922 6.7922 6.7950 6.7961 7.5256 7.5256 7.9030 7.9030 8.0642 8.0657 10.0191 10.0191 10.0365 10.0371 10.1920 10.1920 14.5133 14.5133 14.6158 14.6177 14.6242 14.6242 17.2742 17.2816 k = 0.3897 0.3886 0.3875 ( 2746 PWs) bands (ev): -45.9344 -45.9344 -22.6898 -22.6898 -22.0418 -22.0418 -22.0386 -22.0386 -14.1582 -14.1582 -5.8296 -5.8296 -5.6550 -5.6550 -5.6331 -5.6331 -1.3006 -1.3006 0.3521 0.3522 0.5266 0.5266 6.2584 6.2584 6.8123 6.8123 6.8154 6.8166 7.5034 7.5034 7.8864 7.8864 8.0586 8.0603 9.9870 9.9870 10.0058 10.0064 10.1751 10.1751 14.4912 14.4912 14.5888 14.5908 14.5973 14.5973 17.2946 17.3022 k = 0.3824 0.3813 0.3802 ( 2746 PWs) bands (ev): -45.9344 -45.9344 -22.6892 -22.6892 -22.0411 -22.0411 -22.0379 -22.0379 -14.1614 -14.1614 -5.8547 -5.8547 -5.6605 -5.6605 -5.6383 -5.6383 -1.2786 -1.2786 0.3729 0.3730 0.5673 0.5673 6.2915 6.2915 6.8337 6.8337 6.8371 6.8384 7.4803 7.4803 7.8720 7.8721 8.0529 8.0548 9.9546 9.9546 9.9749 9.9755 10.1574 10.1574 14.4679 14.4679 14.5601 14.5623 14.5689 14.5689 17.3092 17.3168 k = 0.3750 0.3739 0.3729 ( 2740 PWs) bands (ev): -45.9345 -45.9345 -22.6885 -22.6885 -22.0403 -22.0403 -22.0371 -22.0371 -14.1649 -14.1649 -5.8803 -5.8803 -5.6661 -5.6661 -5.6437 -5.6437 -1.2562 -1.2562 0.3945 0.3946 0.6091 0.6091 6.3254 6.3254 6.8561 6.8561 6.8599 6.8614 7.4572 7.4572 7.8599 7.8599 8.0473 8.0493 9.9221 9.9221 9.9441 9.9447 10.1389 10.1389 14.4432 14.4432 14.5300 14.5323 14.5390 14.5390 17.3173 17.3255 k = 0.3676 0.3666 0.3656 ( 2728 PWs) bands (ev): -45.9345 -45.9345 -22.6877 -22.6877 -22.0394 -22.0394 -22.0363 -22.0363 -14.1685 -14.1685 -5.9065 -5.9065 -5.6718 -5.6718 -5.6493 -5.6493 -1.2335 -1.2335 0.4169 0.4170 0.6518 0.6518 6.3596 6.3596 6.8797 6.8797 6.8839 6.8855 7.4349 7.4349 7.8499 7.8499 8.0416 8.0438 9.8897 9.8897 9.9137 9.9142 10.1195 10.1195 14.4172 14.4172 14.4983 14.5008 14.5076 14.5076 17.3176 17.3247 k = 0.3603 0.3593 0.3583 ( 2725 PWs) bands (ev): -45.9346 -45.9346 -22.6870 -22.6870 -22.0385 -22.0385 -22.0355 -22.0355 -14.1723 -14.1723 -5.9330 -5.9330 -5.6777 -5.6777 -5.6550 -5.6550 -1.2106 -1.2106 0.4398 0.4399 0.6952 0.6952 6.3937 6.3937 6.9042 6.9042 6.9089 6.9106 7.4144 7.4144 7.8419 7.8419 8.0361 8.0385 9.8576 9.8576 9.8838 9.8843 10.0994 10.0994 14.3899 14.3899 14.4653 14.4679 14.4748 14.4748 17.3103 17.3170 k = 0.3529 0.3520 0.3510 ( 2734 PWs) bands (ev): -45.9346 -45.9346 -22.6863 -22.6863 -22.0377 -22.0377 -22.0347 -22.0347 -14.1762 -14.1762 -5.9597 -5.9597 -5.6837 -5.6837 -5.6609 -5.6608 -1.1877 -1.1877 0.4633 0.4634 0.7389 0.7389 6.4272 6.4272 6.9297 6.9297 6.9349 6.9367 7.3968 7.3968 7.8358 7.8358 8.0308 8.0334 9.8261 9.8261 9.8546 9.8551 10.0786 10.0786 14.3614 14.3614 14.4309 14.4336 14.4407 14.4407 17.2954 17.3015 k = 0.3456 0.3446 0.3437 ( 2728 PWs) bands (ev): -45.9347 -45.9347 -22.6855 -22.6855 -22.0368 -22.0368 -22.0338 -22.0338 -14.1804 -14.1804 -5.9865 -5.9865 -5.6897 -5.6897 -5.6668 -5.6668 -1.1648 -1.1648 0.4872 0.4873 0.7826 0.7826 6.4596 6.4596 6.9561 6.9561 6.9618 6.9639 7.3831 7.3831 7.8315 7.8315 8.0259 8.0287 9.7954 9.7954 9.8265 9.8269 10.0572 10.0572 14.3316 14.3316 14.3952 14.3980 14.4054 14.4054 17.2731 17.2788 k = 0.3382 0.3373 0.3363 ( 2740 PWs) bands (ev): -45.9348 -45.9348 -22.6847 -22.6847 -22.0359 -22.0359 -22.0329 -22.0329 -14.1847 -14.1847 -6.0132 -6.0132 -5.6958 -5.6958 -5.6728 -5.6728 -1.1421 -1.1421 0.5114 0.5115 0.8261 0.8261 6.4904 6.4904 6.9834 6.9834 6.9897 6.9919 7.3743 7.3743 7.8289 7.8289 8.0214 8.0244 9.7656 9.7656 9.7995 9.7999 10.0352 10.0352 14.3006 14.3006 14.3584 14.3613 14.3689 14.3689 17.2441 17.2488 k = 0.3309 0.3300 0.3290 ( 2737 PWs) bands (ev): -45.9348 -45.9348 -22.6838 -22.6838 -22.0349 -22.0349 -22.0320 -22.0320 -14.1892 -14.1892 -6.0398 -6.0398 -5.7019 -5.7019 -5.6789 -5.6789 -1.1197 -1.1197 0.5358 0.5359 0.8690 0.8690 6.5192 6.5192 7.0115 7.0115 7.0184 7.0208 7.3714 7.3714 7.8280 7.8280 8.0174 8.0207 9.7370 9.7370 9.7739 9.7742 10.0126 10.0126 14.2684 14.2684 14.3203 14.3234 14.3313 14.3313 17.2092 17.2135 k = 0.3235 0.3226 0.3217 ( 2737 PWs) bands (ev): -45.9349 -45.9349 -22.6830 -22.6830 -22.0339 -22.0339 -22.0310 -22.0310 -14.1938 -14.1938 -6.0662 -6.0662 -5.7080 -5.7080 -5.6850 -5.6850 -1.0977 -1.0977 0.5603 0.5604 0.9111 0.9111 6.5456 6.5456 7.0404 7.0404 7.0479 7.0505 7.3752 7.3752 7.8287 7.8287 8.0141 8.0177 9.7097 9.7097 9.7497 9.7500 9.9896 9.9896 14.2349 14.2349 14.2813 14.2844 14.2926 14.2926 17.1684 17.1718 k = 0.3162 0.3153 0.3144 ( 2743 PWs) bands (ev): -45.9349 -45.9349 -22.6821 -22.6821 -22.0329 -22.0329 -22.0301 -22.0301 -14.1986 -14.1986 -6.0922 -6.0922 -5.7141 -5.7141 -5.6912 -5.6912 -1.0763 -1.0763 0.5848 0.5849 0.9519 0.9519 6.5695 6.5695 7.0699 7.0699 7.0781 7.0809 7.3861 7.3861 7.8310 7.8310 8.0117 8.0155 9.6838 9.6838 9.7271 9.7274 9.9661 9.9661 14.2004 14.2004 14.2412 14.2444 14.2531 14.2531 17.1237 17.1255 k = 0.3088 0.3080 0.3071 ( 2743 PWs) bands (ev): -45.9350 -45.9350 -22.6812 -22.6812 -22.0318 -22.0318 -22.0290 -22.0290 -14.2036 -14.2036 -6.1178 -6.1178 -5.7201 -5.7201 -5.6973 -5.6973 -1.0554 -1.0554 0.6092 0.6093 0.9913 0.9913 6.5910 6.5910 7.1002 7.1002 7.1090 7.1120 7.4044 7.4044 7.8348 7.8348 8.0101 8.0143 9.6595 9.6595 9.7063 9.7064 9.9423 9.9423 14.1647 14.1647 14.2002 14.2035 14.2126 14.2126 17.0737 17.0745 k = 0.3015 0.3006 0.2998 ( 2737 PWs) bands (ev): -45.9351 -45.9351 -22.6803 -22.6803 -22.0308 -22.0308 -22.0280 -22.0280 -14.2087 -14.2087 -6.1428 -6.1428 -5.7261 -5.7261 -5.7034 -5.7034 -1.0352 -1.0352 0.6334 0.6335 1.0289 1.0289 6.6104 6.6104 7.1310 7.1310 7.1406 7.1438 7.4300 7.4300 7.8403 7.8403 8.0097 8.0141 9.6369 9.6369 9.6872 9.6873 9.9182 9.9182 14.1278 14.1278 14.1584 14.1618 14.1714 14.1714 17.0202 17.0205 k = 0.2941 0.2933 0.2925 ( 2737 PWs) bands (ev): -45.9351 -45.9351 -22.6793 -22.6793 -22.0297 -22.0297 -22.0269 -22.0269 -14.2139 -14.2139 -6.1673 -6.1673 -5.7320 -5.7320 -5.7095 -5.7094 -1.0158 -1.0158 0.6573 0.6574 1.0644 1.0644 6.6283 6.6283 7.1624 7.1624 7.1727 7.1762 7.4627 7.4627 7.8473 7.8473 8.0104 8.0151 9.6162 9.6162 9.6699 9.6700 9.8938 9.8938 14.0899 14.0899 14.1158 14.1193 14.1295 14.1295 16.9629 16.9629 k = 0.2868 0.2860 0.2852 ( 2743 PWs) bands (ev): -45.9352 -45.9352 -22.6784 -22.6784 -22.0286 -22.0286 -22.0259 -22.0259 -14.2192 -14.2192 -6.1910 -6.1910 -5.7377 -5.7377 -5.7155 -5.7154 -0.9972 -0.9972 0.6807 0.6809 1.0977 1.0977 6.6455 6.6455 7.1943 7.1943 7.2054 7.2091 7.5018 7.5018 7.8560 7.8560 8.0124 8.0175 9.5973 9.5973 9.6546 9.6546 9.8692 9.8692 14.0510 14.0510 14.0725 14.0762 14.0870 14.0870 16.9030 16.9030 k = 0.2794 0.2786 0.2778 ( 2743 PWs) bands (ev): -45.9353 -45.9353 -22.6774 -22.6774 -22.0275 -22.0275 -22.0248 -22.0248 -14.2247 -14.2247 -6.2140 -6.2140 -5.7434 -5.7434 -5.7214 -5.7214 -0.9795 -0.9795 0.7037 0.7038 1.1284 1.1284 6.6628 6.6628 7.2266 7.2266 7.2385 7.2425 7.5467 7.5467 7.8663 7.8663 8.0158 8.0212 9.5803 9.5803 9.6412 9.6413 9.8445 9.8445 14.0110 14.0110 14.0286 14.0324 14.0440 14.0440 16.8408 16.8408 k = 0.2721 0.2713 0.2705 ( 2743 PWs) bands (ev): -45.9353 -45.9353 -22.6765 -22.6765 -22.0264 -22.0264 -22.0237 -22.0237 -14.2303 -14.2303 -6.2362 -6.2362 -5.7489 -5.7489 -5.7272 -5.7272 -0.9629 -0.9629 0.7260 0.7262 1.1565 1.1565 6.6810 6.6810 7.2593 7.2593 7.2721 7.2764 7.5969 7.5969 7.8783 7.8783 8.0207 8.0265 9.5655 9.5655 9.6298 9.6299 9.8197 9.8197 13.9701 13.9701 13.9842 13.9881 14.0005 14.0005 16.7767 16.7768 k = 0.2647 0.2640 0.2632 ( 2746 PWs) bands (ev): -45.9354 -45.9354 -22.6755 -22.6755 -22.0253 -22.0253 -22.0226 -22.0226 -14.2360 -14.2360 -6.2576 -6.2576 -5.7543 -5.7543 -5.7329 -5.7329 -0.9473 -0.9473 0.7477 0.7479 1.1816 1.1816 6.7008 6.7008 7.2923 7.2923 7.3062 7.3107 7.6515 7.6515 7.8920 7.8920 8.0273 8.0333 9.5527 9.5527 9.6204 9.6206 9.7949 9.7949 13.9284 13.9284 13.9394 13.9433 13.9567 13.9567 16.7110 16.7110 k = 0.2574 0.2566 0.2559 ( 2740 PWs) bands (ev): -45.9355 -45.9355 -22.6745 -22.6745 -22.0241 -22.0241 -22.0215 -22.0215 -14.2418 -14.2418 -6.2781 -6.2781 -5.7596 -5.7596 -5.7385 -5.7385 -0.9328 -0.9328 0.7686 0.7687 1.2038 1.2038 6.7227 6.7227 7.3257 7.3257 7.3406 7.3454 7.7100 7.7101 7.9075 7.9075 8.0355 8.0419 9.5420 9.5420 9.6131 9.6133 9.7701 9.7701 13.8859 13.8859 13.8942 13.8982 13.9126 13.9126 16.6438 16.6438 k = 0.2500 0.2493 0.2486 ( 2752 PWs) bands (ev): -45.9356 -45.9356 -22.6735 -22.6735 -22.0230 -22.0230 -22.0204 -22.0204 -14.2477 -14.2477 -6.2976 -6.2976 -5.7646 -5.7646 -5.7440 -5.7440 -0.9195 -0.9195 0.7887 0.7888 1.2228 1.2228 6.7472 6.7472 7.3592 7.3592 7.3754 7.3804 7.7719 7.7719 7.9247 7.9247 8.0454 8.0521 9.5334 9.5334 9.6077 9.6080 9.7453 9.7453 13.8426 13.8426 13.8487 13.8528 13.8682 13.8682 16.5753 16.5753 k = 0.2426 0.2420 0.2413 ( 2740 PWs) bands (ev): -45.9356 -45.9356 -22.6725 -22.6725 -22.0218 -22.0218 -22.0193 -22.0193 -14.2537 -14.2537 -6.3161 -6.3161 -5.7695 -5.7695 -5.7494 -5.7493 -0.9073 -0.9073 0.8078 0.8080 1.2388 1.2388 6.7748 6.7748 7.3930 7.3930 7.4105 7.4158 7.8366 7.8366 7.9438 7.9438 8.0571 8.0641 9.5271 9.5271 9.6044 9.6047 9.7207 9.7207 13.7988 13.7988 13.8030 13.8072 13.8236 13.8236 16.5059 16.5059 k = 0.2353 0.2346 0.2340 ( 2740 PWs) bands (ev): -45.9357 -45.9357 -22.6715 -22.6715 -22.0207 -22.0207 -22.0181 -22.0181 -14.2597 -14.2597 -6.3337 -6.3337 -5.7742 -5.7742 -5.7545 -5.7545 -0.8964 -0.8964 0.8260 0.8262 1.2515 1.2515 6.8055 6.8055 7.4269 7.4269 7.4460 7.4515 7.9030 7.9030 7.9652 7.9652 8.0706 8.0779 9.5229 9.5229 9.6030 9.6034 9.6963 9.6963 13.7546 13.7546 13.7571 13.7614 13.7789 13.7789 16.4356 16.4356 k = 0.2279 0.2273 0.2267 ( 2737 PWs) bands (ev): -45.9358 -45.9358 -22.6705 -22.6705 -22.0196 -22.0196 -22.0170 -22.0170 -14.2658 -14.2658 -6.3502 -6.3502 -5.7787 -5.7787 -5.7595 -5.7595 -0.8866 -0.8866 0.8432 0.8433 1.2612 1.2612 6.8396 6.8396 7.4608 7.4608 7.4817 7.4875 7.9669 7.9669 7.9932 7.9932 8.0859 8.0935 9.5208 9.5208 9.6036 9.6040 9.6721 9.6721 13.7100 13.7100 13.7112 13.7156 13.7342 13.7342 16.3648 16.3648 k = 0.2206 0.2200 0.2194 ( 2737 PWs) bands (ev): -45.9358 -45.9358 -22.6695 -22.6695 -22.0184 -22.0184 -22.0159 -22.0159 -14.2719 -14.2719 -6.3658 -6.3658 -5.7829 -5.7829 -5.7644 -5.7643 -0.8782 -0.8782 0.8593 0.8595 1.2678 1.2678 6.8771 6.8771 7.4948 7.4948 7.5177 7.5238 8.0049 8.0049 8.0506 8.0506 8.1029 8.1109 9.5209 9.5209 9.6061 9.6065 9.6481 9.6481 13.6652 13.6652 13.6653 13.6697 13.6894 13.6894 16.2934 16.2934 k = 0.2132 0.2126 0.2120 ( 2743 PWs) bands (ev): -45.9359 -45.9359 -22.6685 -22.6685 -22.0174 -22.0174 -22.0148 -22.0148 -14.2781 -14.2781 -6.3803 -6.3803 -5.7870 -5.7870 -5.7690 -5.7690 -0.8709 -0.8709 0.8744 0.8745 1.2715 1.2715 6.9178 6.9178 7.5286 7.5286 7.5540 7.5602 8.0322 8.0322 8.1218 8.1220 8.1220 8.1300 9.5231 9.5231 9.6105 9.6109 9.6245 9.6245 13.6194 13.6203 13.6203 13.6239 13.6446 13.6446 16.2218 16.2218 k = 0.2059 0.2053 0.2047 ( 2737 PWs) bands (ev): -45.9360 -45.9360 -22.6675 -22.6675 -22.0162 -22.0162 -22.0136 -22.0136 -14.2843 -14.2843 -6.3938 -6.3938 -5.7909 -5.7909 -5.7735 -5.7735 -0.8649 -0.8649 0.8884 0.8885 1.2724 1.2724 6.9616 6.9616 7.5624 7.5624 7.5904 7.5968 8.0599 8.0599 8.1424 8.1508 8.1960 8.1960 9.5273 9.5273 9.6013 9.6013 9.6166 9.6170 13.5737 13.5754 13.5754 13.5783 13.6000 13.6000 16.1501 16.1501 k = 0.1985 0.1980 0.1974 ( 2749 PWs) bands (ev): -45.9360 -45.9360 -22.6666 -22.6666 -22.0152 -22.0152 -22.0126 -22.0126 -14.2904 -14.2904 -6.4062 -6.4062 -5.7946 -5.7946 -5.7778 -5.7778 -0.8600 -0.8600 0.9012 0.9014 1.2706 1.2706 7.0083 7.0083 7.5958 7.5958 7.6269 7.6335 8.0890 8.0890 8.1648 8.1734 8.2714 8.2714 9.5333 9.5333 9.5786 9.5786 9.6245 9.6249 13.5282 13.5306 13.5306 13.5328 13.5555 13.5555 16.0785 16.0785 k = 0.1912 0.1906 0.1901 ( 2749 PWs) bands (ev): -45.9361 -45.9361 -22.6657 -22.6657 -22.0141 -22.0141 -22.0115 -22.0115 -14.2966 -14.2966 -6.4177 -6.4177 -5.7980 -5.7980 -5.7819 -5.7819 -0.8564 -0.8564 0.9130 0.9131 1.2665 1.2665 7.0577 7.0577 7.6288 7.6288 7.6634 7.6702 8.1197 8.1197 8.1890 8.1977 8.3478 8.3478 9.5408 9.5408 9.5569 9.5569 9.6340 9.6344 13.4830 13.4861 13.4861 13.4876 13.5113 13.5113 16.0071 16.0071 k = 0.1838 0.1833 0.1828 ( 2737 PWs) bands (ev): -45.9362 -45.9362 -22.6647 -22.6647 -22.0130 -22.0130 -22.0104 -22.0104 -14.3027 -14.3027 -6.4282 -6.4282 -5.8012 -5.8012 -5.7858 -5.7858 -0.8539 -0.8539 0.9237 0.9238 1.2601 1.2601 7.1093 7.1093 7.6614 7.6614 7.6998 7.7067 8.1520 8.1520 8.2149 8.2237 8.4251 8.4251 9.5332 9.5332 9.5526 9.5526 9.6451 9.6455 13.4381 13.4419 13.4419 13.4428 13.4675 13.4675 15.9362 15.9362 k = 0.1765 0.1760 0.1755 ( 2731 PWs) bands (ev): -45.9362 -45.9362 -22.6638 -22.6638 -22.0120 -22.0120 -22.0093 -22.0093 -14.3088 -14.3088 -6.4377 -6.4377 -5.8043 -5.8043 -5.7896 -5.7895 -0.8524 -0.8524 0.9333 0.9334 1.2516 1.2516 7.1629 7.1629 7.6933 7.6933 7.7360 7.7429 8.1860 8.1860 8.2425 8.2513 8.5028 8.5028 9.5124 9.5124 9.5638 9.5638 9.6577 9.6580 13.3936 13.3981 13.3981 13.3983 13.4242 13.4242 15.8658 15.8658 k = 0.1691 0.1686 0.1682 ( 2731 PWs) bands (ev): -45.9363 -45.9363 -22.6629 -22.6629 -22.0109 -22.0109 -22.0083 -22.0083 -14.3148 -14.3148 -6.4463 -6.4463 -5.8071 -5.8071 -5.7931 -5.7931 -0.8521 -0.8521 0.9418 0.9420 1.2414 1.2414 7.2180 7.2180 7.7245 7.7245 7.7717 7.7786 8.2217 8.2217 8.2718 8.2806 8.5808 8.5808 9.4917 9.4917 9.5769 9.5769 9.6715 9.6719 13.3495 13.3543 13.3548 13.3548 13.3816 13.3816 15.7962 15.7969 k = 0.1618 0.1613 0.1609 ( 2731 PWs) bands (ev): -45.9364 -45.9364 -22.6620 -22.6620 -22.0100 -22.0100 -22.0073 -22.0073 -14.3208 -14.3208 -6.4540 -6.4540 -5.8097 -5.8097 -5.7964 -5.7964 -0.8526 -0.8526 0.9493 0.9495 1.2297 1.2297 7.2741 7.2741 7.7548 7.7548 7.8068 7.8136 8.2590 8.2590 8.3029 8.3117 8.6589 8.6589 9.4716 9.4716 9.5916 9.5916 9.6866 9.6869 13.3060 13.3107 13.3121 13.3121 13.3396 13.3396 15.7274 15.7274 k = 0.1544 0.1540 0.1535 ( 2731 PWs) bands (ev): -45.9364 -45.9364 -22.6611 -22.6611 -22.0090 -22.0090 -22.0063 -22.0063 -14.3266 -14.3266 -6.4609 -6.4609 -5.8122 -5.8122 -5.7996 -5.7996 -0.8541 -0.8541 0.9559 0.9561 1.2166 1.2166 7.3309 7.3309 7.7841 7.7841 7.8411 7.8478 8.2979 8.2979 8.3358 8.3443 8.7369 8.7369 9.4521 9.4521 9.6077 9.6077 9.7028 9.7030 13.2630 13.2678 13.2700 13.2700 13.2986 13.2986 15.6598 15.6598 k = 0.1471 0.1466 0.1462 ( 2737 PWs) bands (ev): -45.9365 -45.9365 -22.6603 -22.6603 -22.0081 -22.0081 -22.0054 -22.0054 -14.3323 -14.3323 -6.4669 -6.4669 -5.8144 -5.8144 -5.8025 -5.8025 -0.8564 -0.8564 0.9616 0.9617 1.2025 1.2025 7.3879 7.3879 7.8125 7.8125 7.8744 7.8809 8.3382 8.3382 8.3703 8.3786 8.8144 8.8144 9.4333 9.4333 9.6248 9.6248 9.7199 9.7201 13.2208 13.2255 13.2287 13.2287 13.2586 13.2586 15.5935 15.5935 k = 0.1397 0.1393 0.1389 ( 2743 PWs) bands (ev): -45.9365 -45.9365 -22.6596 -22.6596 -22.0072 -22.0072 -22.0045 -22.0045 -14.3379 -14.3379 -6.4722 -6.4722 -5.8164 -5.8164 -5.8053 -5.8053 -0.8595 -0.8595 0.9664 0.9665 1.1876 1.1876 7.4445 7.4445 7.8398 7.8398 7.9064 7.9127 8.3800 8.3800 8.4064 8.4145 8.8913 8.8913 9.4151 9.4151 9.6430 9.6430 9.7377 9.7379 13.1792 13.1839 13.1880 13.1880 13.2198 13.2198 15.5287 15.5289 k = 0.1324 0.1320 0.1316 ( 2743 PWs) bands (ev): -45.9366 -45.9366 -22.6588 -22.6588 -22.0064 -22.0063 -22.0036 -22.0036 -14.3434 -14.3434 -6.4767 -6.4767 -5.8183 -5.8183 -5.8079 -5.8079 -0.8632 -0.8632 0.9703 0.9705 1.1720 1.1720 7.5004 7.5004 7.8660 7.8660 7.9371 7.9431 8.4229 8.4229 8.4441 8.4518 8.9674 8.9674 9.3978 9.3978 9.6620 9.6620 9.7562 9.7563 13.1384 13.1431 13.1482 13.1482 13.1824 13.1824 15.4654 15.4659 k = 0.1250 0.1246 0.1243 ( 2737 PWs) bands (ev): -45.9366 -45.9366 -22.6580 -22.6580 -22.0055 -22.0055 -22.0027 -22.0027 -14.3486 -14.3486 -6.4806 -6.4806 -5.8200 -5.8200 -5.8103 -5.8103 -0.8675 -0.8675 0.9736 0.9737 1.1561 1.1561 7.5550 7.5550 7.8913 7.8913 7.9662 7.9718 8.4668 8.4668 8.4832 8.4905 9.0422 9.0422 9.3812 9.3812 9.6817 9.6817 9.7751 9.7751 13.0986 13.1032 13.1092 13.1092 13.1465 13.1465 15.4040 15.4040 k = 0.1176 0.1173 0.1170 ( 2725 PWs) bands (ev): -45.9367 -45.9367 -22.6572 -22.6572 -22.0046 -22.0046 -22.0018 -22.0018 -14.3537 -14.3537 -6.4839 -6.4839 -5.8216 -5.8216 -5.8126 -5.8125 -0.8722 -0.8722 0.9762 0.9763 1.1399 1.1399 7.6078 7.6078 7.9157 7.9157 7.9936 7.9989 8.5115 8.5115 8.5234 8.5303 9.1155 9.1155 9.3654 9.3654 9.7017 9.7017 9.7942 9.7942 13.0597 13.0643 13.0710 13.0710 13.1123 13.1123 15.3446 15.3452 k = 0.1103 0.1100 0.1097 ( 2734 PWs) bands (ev): -45.9367 -45.9367 -22.6566 -22.6566 -22.0039 -22.0039 -22.0011 -22.0011 -14.3586 -14.3586 -6.4866 -6.4866 -5.8230 -5.8230 -5.8146 -5.8146 -0.8773 -0.8773 0.9782 0.9783 1.1238 1.1238 7.6582 7.6582 7.9393 7.9393 8.0193 8.0242 8.5566 8.5566 8.5646 8.5709 9.1869 9.1869 9.3504 9.3504 9.7220 9.7220 9.8132 9.8133 13.0219 13.0264 13.0339 13.0339 13.0800 13.0800 15.2874 15.2875 k = 0.1029 0.1027 0.1024 ( 2746 PWs) bands (ev): -45.9368 -45.9368 -22.6560 -22.6560 -22.0033 -22.0033 -22.0004 -22.0004 -14.3633 -14.3633 -6.4888 -6.4888 -5.8242 -5.8242 -5.8166 -5.8165 -0.8827 -0.8827 0.9796 0.9797 1.1079 1.1079 7.7058 7.7058 7.9624 7.9624 8.0431 8.0476 8.6017 8.6017 8.6063 8.6122 9.2561 9.2561 9.3363 9.3363 9.7423 9.7423 9.8321 9.8323 12.9853 12.9897 12.9978 12.9978 13.0495 13.0495 15.2327 15.2336 k = 0.0956 0.0953 0.0951 ( 2749 PWs) bands (ev): -45.9368 -45.9368 -22.6554 -22.6554 -22.0026 -22.0026 -21.9997 -21.9997 -14.3677 -14.3677 -6.4905 -6.4905 -5.8254 -5.8254 -5.8183 -5.8183 -0.8882 -0.8882 0.9806 0.9807 1.0924 1.0924 7.7500 7.7500 7.9852 7.9852 8.0652 8.0692 8.6466 8.6466 8.6482 8.6536 9.3213 9.3213 9.3244 9.3244 9.7624 9.7624 9.8507 9.8509 12.9501 12.9543 12.9630 12.9630 13.0211 13.0211 15.1807 15.1814 k = 0.0882 0.0880 0.0877 ( 2743 PWs) bands (ev): -45.9369 -45.9369 -22.6548 -22.6548 -22.0019 -22.0019 -21.9990 -21.9990 -14.3718 -14.3718 -6.4918 -6.4918 -5.8263 -5.8263 -5.8199 -5.8199 -0.8938 -0.8938 0.9812 0.9813 1.0774 1.0774 7.7904 7.7904 8.0078 8.0078 8.0854 8.0890 8.6899 8.6909 8.6909 8.6948 9.3106 9.3106 9.3863 9.3863 9.7822 9.7822 9.8687 9.8689 12.9163 12.9204 12.9295 12.9295 12.9948 12.9948 15.1312 15.1318 k = 0.0809 0.0807 0.0804 ( 2749 PWs) bands (ev): -45.9369 -45.9369 -22.6544 -22.6544 -22.0014 -22.0014 -21.9984 -21.9984 -14.3757 -14.3757 -6.4928 -6.4928 -5.8272 -5.8272 -5.8213 -5.8213 -0.8994 -0.8994 0.9814 0.9815 1.0630 1.0630 7.8266 7.8266 8.0304 8.0304 8.1038 8.1070 8.7310 8.7340 8.7340 8.7354 9.2992 9.2992 9.4465 9.4465 9.8014 9.8014 9.8860 9.8862 12.8842 12.8881 12.8976 12.8976 12.9706 12.9706 15.0849 15.0853 k = 0.0735 0.0733 0.0731 ( 2749 PWs) bands (ev): -45.9369 -45.9369 -22.6539 -22.6539 -22.0009 -22.0009 -21.9978 -21.9978 -14.3793 -14.3793 -6.4935 -6.4935 -5.8280 -5.8280 -5.8226 -5.8226 -0.9049 -0.9049 0.9814 0.9815 1.0495 1.0495 7.8582 7.8583 8.0530 8.0530 8.1204 8.1232 8.7709 8.7748 8.7756 8.7756 9.2887 9.2887 9.5027 9.5028 9.8200 9.8200 9.9023 9.9026 12.8539 12.8576 12.8674 12.8674 12.9486 12.9486 15.0417 15.0423 k = 0.0662 0.0660 0.0658 ( 2755 PWs) bands (ev): -45.9370 -45.9370 -22.6535 -22.6535 -22.0004 -22.0004 -21.9973 -21.9973 -14.3826 -14.3826 -6.4940 -6.4940 -5.8287 -5.8287 -5.8238 -5.8238 -0.9101 -0.9101 0.9812 0.9813 1.0369 1.0369 7.8854 7.8854 8.0755 8.0755 8.1352 8.1377 8.8091 8.8125 8.8152 8.8152 9.2792 9.2792 9.5547 9.5547 9.8377 9.8377 9.9176 9.9179 12.8257 12.8291 12.8392 12.8392 12.9288 12.9288 15.0021 15.0023 k = 0.0588 0.0587 0.0585 ( 2773 PWs) bands (ev): -45.9370 -45.9370 -22.6532 -22.6532 -22.0000 -22.0000 -21.9970 -21.9970 -14.3856 -14.3856 -6.4943 -6.4943 -5.8292 -5.8292 -5.8248 -5.8248 -0.9150 -0.9150 0.9809 0.9809 1.0254 1.0254 7.9083 7.9083 8.0975 8.0975 8.1484 8.1506 8.8451 8.8481 8.8523 8.8523 9.2706 9.2706 9.6020 9.6020 9.8545 9.8545 9.9317 9.9320 12.7996 12.8027 12.8131 12.8131 12.9112 12.9112 14.9659 14.9659 k = 0.0515 0.0513 0.0512 ( 2767 PWs) bands (ev): -45.9370 -45.9370 -22.6528 -22.6528 -21.9996 -21.9996 -21.9965 -21.9965 -14.3883 -14.3883 -6.4944 -6.4944 -5.8297 -5.8297 -5.8257 -5.8257 -0.9196 -0.9196 0.9804 0.9805 1.0150 1.0150 7.9272 7.9272 8.1185 8.1185 8.1599 8.1618 8.8784 8.8810 8.8865 8.8865 9.2630 9.2630 9.6442 9.6442 9.8702 9.8702 9.9443 9.9446 12.7760 12.7788 12.7894 12.7894 12.8958 12.8958 14.9335 14.9335 k = 0.0441 0.0440 0.0439 ( 2767 PWs) bands (ev): -45.9370 -45.9370 -22.6525 -22.6525 -21.9993 -21.9993 -21.9962 -21.9962 -14.3906 -14.3906 -6.4944 -6.4944 -5.8301 -5.8301 -5.8265 -5.8265 -0.9237 -0.9237 0.9799 0.9800 1.0058 1.0058 7.9426 7.9426 8.1379 8.1379 8.1698 8.1714 8.9086 8.9108 8.9173 8.9173 9.2564 9.2564 9.6809 9.6809 9.8846 9.8846 9.9555 9.9558 12.7550 12.7575 12.7682 12.7682 12.8825 12.8825 14.9051 14.9060 k = 0.0368 0.0367 0.0366 ( 2761 PWs) bands (ev): -45.9371 -45.9371 -22.6522 -22.6522 -21.9990 -21.9990 -21.9958 -21.9958 -14.3926 -14.3926 -6.4944 -6.4944 -5.8305 -5.8305 -5.8271 -5.8271 -0.9273 -0.9273 0.9795 0.9795 0.9979 0.9979 7.9549 7.9549 8.1552 8.1552 8.1782 8.1794 8.9351 8.9369 8.9442 8.9442 9.2508 9.2508 9.7119 9.7119 9.8976 9.8976 9.9651 9.9654 12.7369 12.7390 12.7499 12.7499 12.8714 12.8714 14.8807 14.8808 k = 0.0294 0.0293 0.0292 ( 2767 PWs) bands (ev): -45.9371 -45.9371 -22.6520 -22.6520 -21.9988 -21.9988 -21.9956 -21.9956 -14.3943 -14.3943 -6.4943 -6.4943 -5.8307 -5.8307 -5.8276 -5.8276 -0.9303 -0.9303 0.9790 0.9791 0.9914 0.9914 7.9645 7.9645 8.1700 8.1700 8.1850 8.1860 8.9575 8.9589 8.9668 8.9668 9.2462 9.2462 9.7372 9.7372 9.9089 9.9089 9.9730 9.9733 12.7218 12.7235 12.7346 12.7346 12.8624 12.8624 14.8606 14.8607 k = 0.0221 0.0220 0.0219 ( 2780 PWs) bands (ev): -45.9371 -45.9371 -22.6519 -22.6519 -21.9987 -21.9987 -21.9955 -21.9955 -14.3956 -14.3956 -6.4943 -6.4943 -5.8309 -5.8309 -5.8280 -5.8280 -0.9327 -0.9327 0.9786 0.9787 0.9862 0.9862 7.9717 7.9717 8.1818 8.1818 8.1902 8.1910 8.9753 8.9764 8.9849 8.9849 9.2426 9.2426 9.7566 9.7566 9.9182 9.9182 9.9792 9.9794 12.7099 12.7112 12.7225 12.7225 12.8554 12.8554 14.8448 14.8448 k = 0.0147 0.0147 0.0146 ( 2780 PWs) bands (ev): -45.9371 -45.9371 -22.6518 -22.6518 -21.9985 -21.9985 -21.9953 -21.9953 -14.3965 -14.3965 -6.4942 -6.4942 -5.8311 -5.8311 -5.8283 -5.8283 -0.9345 -0.9345 0.9783 0.9784 0.9825 0.9825 7.9767 7.9767 8.1904 8.1904 8.1940 8.1945 8.9884 8.9891 8.9980 8.9980 9.2401 9.2401 9.7703 9.7703 9.9252 9.9252 9.9837 9.9839 12.7014 12.7022 12.7137 12.7137 12.8505 12.8505 14.8335 14.8335 k = 0.0074 0.0073 0.0073 ( 2777 PWs) bands (ev): -45.9371 -45.9371 -22.6517 -22.6517 -21.9984 -21.9984 -21.9952 -21.9952 -14.3970 -14.3970 -6.4941 -6.4941 -5.8312 -5.8312 -5.8285 -5.8285 -0.9355 -0.9355 0.9782 0.9782 0.9803 0.9803 7.9797 7.9797 8.1957 8.1957 8.1964 8.1966 8.9964 8.9968 9.0059 9.0059 9.2385 9.2385 9.7784 9.7784 9.9296 9.9296 9.9865 9.9865 12.6963 12.6967 12.7084 12.7084 12.8475 12.8475 14.8266 14.8271 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9371 -45.9371 -22.6516 -22.6516 -21.9984 -21.9984 -21.9952 -21.9952 -14.3972 -14.3972 -6.4941 -6.4941 -5.8312 -5.8312 -5.8285 -5.8285 -0.9359 -0.9359 0.9781 0.9781 0.9796 0.9796 7.9806 7.9806 8.1972 8.1972 8.1975 8.1975 8.9992 8.9992 9.0086 9.0086 9.2380 9.2380 9.7811 9.7811 9.9310 9.9310 9.9874 9.9874 12.6947 12.6947 12.7066 12.7066 12.8465 12.8465 14.8253 14.8256 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9371 -45.9371 -22.6516 -22.6516 -21.9984 -21.9984 -21.9952 -21.9952 -14.3972 -14.3972 -6.4941 -6.4941 -5.8312 -5.8312 -5.8285 -5.8285 -0.9359 -0.9359 0.9781 0.9781 0.9796 0.9796 7.9806 7.9806 8.1972 8.1972 8.1975 8.1975 8.9992 8.9992 9.0086 9.0086 9.2380 9.2380 9.7811 9.7811 9.9310 9.9310 9.9874 9.9874 12.6947 12.6947 12.7066 12.7066 12.8465 12.8465 14.8246 14.8251 k = 0.0089-0.0000-0.0089 ( 2773 PWs) bands (ev): -45.9371 -45.9371 -22.6517 -22.6516 -21.9984 -21.9984 -21.9953 -21.9952 -14.3970 -14.3970 -6.4943 -6.4940 -5.8314 -5.8309 -5.8285 -5.8285 -0.9355 -0.9354 0.9785 0.9787 0.9795 0.9803 7.9773 7.9818 8.1922 8.1951 8.1974 8.1992 8.9975 8.9976 9.0058 9.0081 9.2355 9.2372 9.7629 9.7939 9.9149 9.9438 9.9881 9.9886 12.6955 12.6959 12.7066 12.7093 12.8465 12.8485 14.8260 14.8262 k = 0.0178-0.0001-0.0179 ( 2765 PWs) bands (ev): -45.9371 -45.9371 -22.6518 -22.6516 -21.9984 -21.9984 -21.9953 -21.9952 -14.3965 -14.3965 -6.4946 -6.4939 -5.8315 -5.8306 -5.8284 -5.8283 -0.9345 -0.9343 0.9791 0.9797 0.9807 0.9824 7.9716 7.9807 8.1834 8.1907 8.1955 8.1980 8.9918 8.9923 9.0001 9.0046 9.2297 9.2330 9.7404 9.7990 9.8987 9.9504 9.9894 9.9933 12.6964 12.6994 12.7114 12.7148 12.8484 12.8523 14.8300 14.8321 k = 0.0267-0.0001-0.0268 ( 2763 PWs) bands (ev): -45.9371 -45.9371 -22.6519 -22.6517 -21.9986 -21.9986 -21.9955 -21.9952 -14.3956 -14.3955 -6.4949 -6.4939 -5.8315 -5.8302 -5.8281 -5.8281 -0.9328 -0.9325 0.9797 0.9802 0.9840 0.9860 7.9636 7.9773 8.1710 8.1837 8.1912 8.1948 8.9813 8.9828 8.9924 8.9985 9.2211 9.2260 9.7143 9.7934 9.8862 9.9509 9.9905 10.0006 12.6968 12.7040 12.7211 12.7244 12.8524 12.8579 14.8349 14.8360 k = 0.0356-0.0001-0.0357 ( 2767 PWs) bands (ev): -45.9371 -45.9371 -22.6521 -22.6518 -21.9988 -21.9988 -21.9957 -21.9954 -14.3943 -14.3943 -6.4953 -6.4939 -5.8315 -5.8297 -5.8279 -5.8277 -0.9304 -0.9300 0.9803 0.9810 0.9887 0.9911 7.9529 7.9715 8.1551 8.1737 8.1849 8.1899 8.9659 8.9686 8.9826 8.9898 9.2105 9.2170 9.6850 9.7757 9.8791 9.9474 9.9911 10.0081 12.6976 12.7087 12.7350 12.7390 12.8584 12.8653 14.8426 14.8441 k = 0.0445-0.0001-0.0446 ( 2765 PWs) bands (ev): -45.9371 -45.9371 -22.6524 -22.6520 -21.9991 -21.9990 -21.9960 -21.9955 -14.3927 -14.3926 -6.4957 -6.4940 -5.8315 -5.8291 -5.8275 -5.8271 -0.9273 -0.9269 0.9812 0.9820 0.9948 0.9976 7.9395 7.9629 8.1359 8.1605 8.1769 8.1835 8.9460 8.9498 8.9703 8.9781 9.1989 9.2067 9.6528 9.7484 9.8753 9.9414 9.9908 10.0140 12.6994 12.7138 12.7530 12.7582 12.8665 12.8746 14.8524 14.8543 k = 0.0534-0.0002-0.0536 ( 2765 PWs) bands (ev): -45.9370 -45.9370 -22.6527 -22.6522 -21.9995 -21.9993 -21.9962 -21.9958 -14.3907 -14.3906 -6.4962 -6.4942 -5.8313 -5.8284 -5.8271 -5.8264 -0.9236 -0.9232 0.9822 0.9832 1.0021 1.0052 7.9229 7.9512 8.1138 8.1442 8.1676 8.1757 8.9219 8.9265 8.9549 8.9632 9.1873 9.1962 9.6181 9.7147 9.8719 9.9335 9.9893 10.0174 12.7027 12.7197 12.7748 12.7813 12.8767 12.8858 14.8641 14.8664 k = 0.0623-0.0002-0.0625 ( 2753 PWs) bands (ev): -45.9370 -45.9370 -22.6529 -22.6524 -21.9999 -21.9996 -21.9965 -21.9959 -14.3884 -14.3883 -6.4968 -6.4944 -5.8311 -5.8275 -5.8265 -5.8254 -0.9194 -0.9189 0.9834 0.9845 1.0106 1.0141 7.9031 7.9359 8.0892 8.1251 8.1571 8.1666 8.8936 8.8991 8.9365 8.9448 9.1764 9.1862 9.5810 9.6765 9.8674 9.9241 9.9863 10.0180 12.7076 12.7267 12.8002 12.8080 12.8891 12.8990 14.8775 14.8802 k = 0.0712-0.0002-0.0714 ( 2749 PWs) bands (ev): -45.9370 -45.9370 -22.6533 -22.6527 -22.0004 -22.0001 -21.9968 -21.9962 -14.3858 -14.3857 -6.4974 -6.4947 -5.8308 -5.8265 -5.8258 -5.8242 -0.9147 -0.9141 0.9848 0.9860 1.0202 1.0239 7.8796 7.9165 8.0627 8.1033 8.1456 8.1561 8.8614 8.8679 8.9150 8.9229 9.1670 9.1771 9.5417 9.6349 9.8613 9.9132 9.9815 10.0157 12.7145 12.7353 12.8287 12.8378 12.9036 12.9144 14.8926 14.8956 k = 0.0801-0.0002-0.0804 ( 2753 PWs) bands (ev): -45.9370 -45.9370 -22.6538 -22.6530 -22.0011 -22.0006 -21.9971 -21.9965 -14.3828 -14.3827 -6.4980 -6.4951 -5.8305 -5.8256 -5.8248 -5.8228 -0.9095 -0.9088 0.9863 0.9878 1.0309 1.0348 7.8523 7.8925 8.0348 8.0790 8.1333 8.1446 8.8255 8.8333 8.8905 8.8979 9.1592 9.1694 9.5006 9.5904 9.8533 9.9009 9.9749 10.0104 12.7236 12.7457 12.8599 12.8705 12.9204 12.9322 14.9092 14.9125 k = 0.0890-0.0003-0.0893 ( 2755 PWs) bands (ev): -45.9369 -45.9369 -22.6542 -22.6534 -22.0018 -22.0012 -21.9974 -21.9968 -14.3796 -14.3794 -6.4986 -6.4954 -5.8300 -5.8248 -5.8233 -5.8210 -0.9041 -0.9031 0.9881 0.9896 1.0424 1.0464 7.8212 7.8634 8.0059 8.0522 8.1205 8.1322 8.7864 8.7957 8.8633 8.8703 9.1530 9.1631 9.4578 9.5436 9.8435 9.8873 9.9665 10.0024 12.7349 12.7581 12.8932 12.9054 12.9397 12.9528 14.9270 14.9306 k = 0.0979-0.0003-0.0982 ( 2753 PWs) bands (ev): -45.9369 -45.9369 -22.6547 -22.6539 -22.0026 -22.0019 -21.9977 -21.9970 -14.3760 -14.3759 -6.4993 -6.4958 -5.8296 -5.8241 -5.8214 -5.8189 -0.8983 -0.8970 0.9900 0.9917 1.0547 1.0587 7.7863 7.8292 7.9761 8.0230 8.1073 8.1190 8.7445 8.7555 8.8338 8.8404 9.1483 9.1580 9.4138 9.4949 9.8321 9.8726 9.9561 9.9919 12.7486 12.7726 12.9278 12.9417 12.9620 12.9769 14.9458 14.9497 k = 0.1068-0.0003-0.1071 ( 2755 PWs) bands (ev): -45.9369 -45.9369 -22.6553 -22.6543 -22.0035 -22.0027 -21.9981 -21.9973 -14.3722 -14.3721 -6.4999 -6.4962 -5.8290 -5.8232 -5.8192 -5.8165 -0.8923 -0.8906 0.9921 0.9939 1.0676 1.0716 7.7478 7.7903 7.9451 7.9913 8.0939 8.1054 8.7004 8.7132 8.8024 8.8088 9.1447 9.1537 9.3690 9.4448 9.8191 9.8568 9.9441 9.9792 12.7648 12.7894 12.9625 12.9758 12.9904 13.0053 14.9656 14.9698 k = 0.1157-0.0003-0.1161 ( 2753 PWs) bands (ev): -45.9368 -45.9368 -22.6558 -22.6548 -22.0045 -22.0035 -21.9984 -21.9976 -14.3681 -14.3680 -6.5005 -6.4965 -5.8284 -5.8224 -5.8166 -5.8137 -0.8862 -0.8840 0.9943 0.9963 1.0809 1.0849 7.7059 7.7471 7.9127 7.9572 8.0804 8.0914 8.6544 8.6691 8.7695 8.7759 9.1418 9.1496 9.3241 9.3938 9.8048 9.8401 9.9305 9.9646 12.7834 12.8086 12.9960 13.0046 13.0278 13.0391 14.9861 14.9905 k = 0.1247-0.0004-0.1250 ( 2753 PWs) bands (ev): -45.9368 -45.9368 -22.6565 -22.6554 -22.0055 -22.0044 -21.9987 -21.9979 -14.3638 -14.3637 -6.5010 -6.4967 -5.8278 -5.8214 -5.8137 -5.8106 -0.8799 -0.8773 0.9966 0.9988 1.0945 1.0985 7.6611 7.7004 7.8783 7.9205 8.0669 8.0773 8.6071 8.6235 8.7353 8.7418 9.1387 9.1446 9.2806 9.3429 9.7893 9.8225 9.9156 9.9487 12.8045 12.8300 13.0283 13.0328 13.0690 13.0782 15.0071 15.0118 k = 0.1336-0.0004-0.1339 ( 2752 PWs) bands (ev): -45.9368 -45.9368 -22.6571 -22.6560 -22.0066 -22.0054 -21.9991 -21.9983 -14.3593 -14.3591 -6.5014 -6.4969 -5.8270 -5.8205 -5.8103 -5.8070 -0.8737 -0.8705 0.9991 1.0014 1.1081 1.1123 7.6136 7.6508 7.8418 7.8813 8.0532 8.0631 8.5586 8.5766 8.7003 8.7068 9.1330 9.1363 9.2416 9.2938 9.7726 9.8042 9.8999 9.9318 12.8280 12.8538 13.0602 13.0624 13.1120 13.1208 15.0286 15.0335 k = 0.1425-0.0004-0.1429 ( 2750 PWs) bands (ev): -45.9367 -45.9367 -22.6578 -22.6566 -22.0078 -22.0064 -21.9995 -21.9986 -14.3545 -14.3544 -6.5017 -6.4969 -5.8263 -5.8195 -5.8066 -5.8031 -0.8674 -0.8636 1.0017 1.0042 1.1216 1.1260 7.5640 7.5990 7.8031 7.8397 8.0395 8.0490 8.5093 8.5287 8.6647 8.6712 9.1155 9.1255 9.2130 9.2502 9.7547 9.7850 9.8839 9.9147 12.8539 12.8799 13.0923 13.0940 13.1566 13.1656 15.0502 15.0554 k = 0.1514-0.0004-0.1518 ( 2754 PWs) bands (ev): -45.9367 -45.9367 -22.6585 -22.6572 -22.0090 -22.0076 -21.9999 -21.9989 -14.3496 -14.3495 -6.5017 -6.4968 -5.8255 -5.8184 -5.8025 -5.7988 -0.8613 -0.8568 1.0043 1.0071 1.1347 1.1397 7.5127 7.5455 7.7619 7.7957 8.0256 8.0348 8.4592 8.4797 8.6289 8.6351 9.0837 9.1051 9.1983 9.2182 9.7356 9.7647 9.8680 9.8978 12.8819 12.9081 13.1252 13.1274 13.2024 13.2118 15.0720 15.0774 k = 0.1603-0.0005-0.1607 ( 2740 PWs) bands (ev): -45.9366 -45.9366 -22.6592 -22.6579 -22.0102 -22.0086 -22.0002 -21.9992 -14.3445 -14.3444 -6.5015 -6.4963 -5.8246 -5.8173 -5.7981 -5.7942 -0.8554 -0.8500 1.0071 1.0102 1.1473 1.1531 7.4601 7.4907 7.7186 7.7496 8.0114 8.0207 8.4085 8.4298 8.5929 8.5988 9.0433 9.0708 9.1934 9.2019 9.7152 9.7432 9.8531 9.8819 12.9122 12.9384 13.1593 13.1622 13.2492 13.2589 15.0937 15.0993 k = 0.1692-0.0005-0.1696 ( 2742 PWs) bands (ev): -45.9366 -45.9366 -22.6599 -22.6586 -22.0115 -22.0098 -22.0006 -21.9996 -14.3393 -14.3392 -6.5010 -6.4957 -5.8237 -5.8162 -5.7933 -5.7892 -0.8496 -0.8434 1.0098 1.0133 1.1592 1.1661 7.4066 7.4351 7.6731 7.7015 7.9970 8.0065 8.3572 8.3788 8.5569 8.5622 8.9996 9.0272 9.1931 9.1970 9.6934 9.7202 9.8397 9.8674 12.9444 12.9706 13.1947 13.1982 13.2967 13.3067 15.1152 15.1211 k = 0.1781-0.0005-0.1786 ( 2740 PWs) bands (ev): -45.9365 -45.9365 -22.6607 -22.6593 -22.0128 -22.0111 -22.0010 -21.9999 -14.3340 -14.3338 -6.5002 -6.4946 -5.8227 -5.8150 -5.7882 -5.7840 -0.8441 -0.8370 1.0126 1.0165 1.1702 1.1785 7.3525 7.3790 7.6257 7.6517 7.9822 7.9923 8.3053 8.3267 8.5211 8.5256 8.9554 8.9803 9.1950 9.1983 9.6700 9.6953 9.8284 9.8549 12.9785 13.0047 13.2312 13.2352 13.3448 13.3551 15.1364 15.1425 k = 0.1870-0.0005-0.1875 ( 2742 PWs) bands (ev): -45.9365 -45.9365 -22.6615 -22.6600 -22.0142 -22.0124 -22.0014 -22.0003 -14.3285 -14.3284 -6.4989 -6.4932 -5.8217 -5.8138 -5.7828 -5.7785 -0.8388 -0.8309 1.0153 1.0197 1.1803 1.1901 7.2982 7.3229 7.5767 7.6004 7.9670 7.9779 8.2527 8.2734 8.4855 8.4892 8.9123 8.9335 9.1986 9.2025 9.6452 9.6687 9.8197 9.8446 13.0143 13.0405 13.2687 13.2731 13.3932 13.4037 15.1573 15.1636 k = 0.1959-0.0006-0.1964 ( 2742 PWs) bands (ev): -45.9364 -45.9364 -22.6623 -22.6608 -22.0156 -22.0137 -22.0018 -22.0007 -14.3230 -14.3229 -6.4972 -6.4914 -5.8207 -5.8126 -5.7772 -5.7728 -0.8339 -0.8250 1.0180 1.0230 1.1893 1.2009 7.2439 7.2670 7.5263 7.5478 7.9511 7.9633 8.1993 8.2188 8.4501 8.4529 8.8714 8.8885 9.2037 9.2081 9.6189 9.6404 9.8137 9.8368 13.0518 13.0779 13.3069 13.3118 13.4419 13.4526 15.1776 15.1841 k = 0.2048-0.0006-0.2054 ( 2746 PWs) bands (ev): -45.9364 -45.9364 -22.6631 -22.6616 -22.0170 -22.0151 -22.0022 -22.0011 -14.3174 -14.3173 -6.4950 -6.4890 -5.8196 -5.8113 -5.7715 -5.7669 -0.8294 -0.8195 1.0206 1.0263 1.1972 1.2108 7.1900 7.2114 7.4747 7.4943 7.9344 7.9485 8.1453 8.1629 8.4150 8.4168 8.8334 8.8468 9.2097 9.2146 9.5912 9.6106 9.8104 9.8316 13.0906 13.1166 13.3458 13.3510 13.4907 13.5015 15.1973 15.2040 k = 0.2137-0.0006-0.2143 ( 2740 PWs) bands (ev): -45.9363 -45.9363 -22.6639 -22.6624 -22.0184 -22.0164 -22.0026 -22.0014 -14.3118 -14.3117 -6.4922 -6.4861 -5.8185 -5.8100 -5.7656 -5.7609 -0.8252 -0.8144 1.0230 1.0295 1.2039 1.2195 7.1365 7.1566 7.4223 7.4400 7.9165 7.9335 8.0909 8.1056 8.3801 8.3810 8.7992 8.8091 9.2165 9.2218 9.5624 9.5797 9.8098 9.8290 13.1307 13.1566 13.3851 13.3907 13.5395 13.5504 15.2164 15.2233 k = 0.2226-0.0006-0.2232 ( 2740 PWs) bands (ev): -45.9362 -45.9362 -22.6648 -22.6632 -22.0198 -22.0178 -22.0030 -22.0018 -14.3062 -14.3061 -6.4887 -6.4825 -5.8173 -5.8087 -5.7596 -5.7549 -0.8215 -0.8097 1.0252 1.0326 1.2093 1.2272 7.0838 7.1025 7.3692 7.3852 7.8965 7.9182 8.0364 8.0474 8.3451 8.3456 8.7692 8.7762 9.2238 9.2296 9.5327 9.5479 9.8117 9.8290 13.1719 13.1977 13.4247 13.4307 13.5883 13.5992 15.2347 15.2418 k = 0.2315-0.0007-0.2321 ( 2738 PWs) bands (ev): -45.9362 -45.9362 -22.6656 -22.6640 -22.0213 -22.0192 -22.0034 -22.0022 -14.3006 -14.3005 -6.4847 -6.4784 -5.8161 -5.8074 -5.7537 -5.7489 -0.8182 -0.8054 1.0272 1.0355 1.2134 1.2337 7.0319 7.0494 7.3158 7.3302 7.8729 7.9026 7.9813 7.9906 8.3100 8.3106 8.7439 8.7488 9.2315 9.2377 9.5024 9.5155 9.8160 9.8315 13.2141 13.2398 13.4645 13.4707 13.6368 13.6478 15.2522 15.2595 k = 0.2404-0.0007-0.2411 ( 2738 PWs) bands (ev): -45.9361 -45.9361 -22.6664 -22.6648 -22.0227 -22.0206 -22.0038 -22.0026 -14.2950 -14.2949 -6.4799 -6.4735 -5.8149 -5.8061 -5.7479 -5.7429 -0.8153 -0.8015 1.0289 1.0382 1.2163 1.2391 6.9810 6.9974 7.2621 7.2751 7.8425 7.8857 7.9233 7.9419 8.2750 8.2759 8.7237 8.7270 9.2394 9.2462 9.4715 9.4829 9.8227 9.8363 13.2571 13.2826 13.5042 13.5107 13.6850 13.6960 15.2689 15.2763 k = 0.2493-0.0007-0.2500 ( 2742 PWs) bands (ev): -45.9361 -45.9361 -22.6673 -22.6657 -22.0242 -22.0221 -22.0042 -22.0030 -14.2895 -14.2893 -6.4744 -6.4679 -5.8137 -5.8048 -5.7422 -5.7372 -0.8129 -0.7982 1.0302 1.0406 1.2181 1.2433 6.9312 6.9466 7.2086 7.2202 7.8019 7.8534 7.8777 7.9040 8.2401 8.2412 8.7087 8.7111 9.2474 9.2547 9.4405 9.4504 9.8314 9.8433 13.3008 13.3261 13.5437 13.5505 13.7329 13.7438 15.2847 15.2923 k = 0.2582-0.0007-0.2589 ( 2738 PWs) bands (ev): -45.9360 -45.9360 -22.6681 -22.6665 -22.0256 -22.0235 -22.0046 -22.0033 -14.2840 -14.2838 -6.4681 -6.4615 -5.8124 -5.8034 -5.7367 -5.7316 -0.8109 -0.7953 1.0310 1.0426 1.2188 1.2466 6.8826 6.8971 7.1552 7.1656 7.7515 7.7932 7.8586 7.8754 8.2056 8.2067 8.6990 8.7010 9.2552 9.2632 9.4097 9.4185 9.8421 9.8524 13.3449 13.3701 13.5828 13.5899 13.7803 13.7911 15.2995 15.3073 k = 0.2671-0.0008-0.2679 ( 2738 PWs) bands (ev): -45.9360 -45.9360 -22.6689 -22.6674 -22.0270 -22.0249 -22.0049 -22.0037 -14.2786 -14.2784 -6.4610 -6.4544 -5.8112 -5.8021 -5.7315 -5.7264 -0.8094 -0.7930 1.0313 1.0441 1.2186 1.2489 6.8353 6.8488 7.1023 7.1116 7.6952 7.7295 7.8420 7.8527 8.1715 8.1723 8.6945 8.6965 9.2625 9.2714 9.3794 9.3879 9.8546 9.8633 13.3894 13.4144 13.6215 13.6288 13.8271 13.8378 15.3134 15.3213 k = 0.2760-0.0008-0.2768 ( 2734 PWs) bands (ev): -45.9359 -45.9359 -22.6698 -22.6682 -22.0284 -22.0263 -22.0053 -22.0041 -14.2732 -14.2731 -6.4531 -6.4464 -5.8099 -5.8008 -5.7267 -5.7215 -0.8084 -0.7911 1.0310 1.0448 1.2177 1.2503 6.7892 6.8020 7.0501 7.0583 7.6358 7.6650 7.8254 7.8334 8.1378 8.1383 8.6949 8.6971 9.2682 9.2784 9.3503 9.3604 9.8687 9.8760 13.4340 13.4588 13.6596 13.6672 13.8732 13.8838 15.3263 15.3343 k = 0.2849-0.0008-0.2857 ( 2730 PWs) bands (ev): -45.9358 -45.9358 -22.6706 -22.6690 -22.0298 -22.0277 -22.0056 -22.0044 -14.2680 -14.2679 -6.4443 -6.4377 -5.8086 -5.7994 -5.7222 -5.7170 -0.8078 -0.7898 1.0300 1.0448 1.2164 1.2511 6.7445 6.7565 6.9987 7.0059 7.5750 7.6005 7.8085 7.8162 8.1046 8.1048 8.6998 8.7025 9.2691 9.2821 9.3248 9.3392 9.8842 9.8902 13.4787 13.5033 13.6970 13.7047 13.9186 13.9290 15.3381 15.3463 k = 0.2938-0.0008-0.2946 ( 2726 PWs) bands (ev): -45.9358 -45.9358 -22.6713 -22.6698 -22.0312 -22.0291 -22.0060 -22.0048 -14.2630 -14.2629 -6.4348 -6.4281 -5.8074 -5.7981 -5.7183 -5.7131 -0.8076 -0.7889 1.0283 1.0439 1.2147 1.2513 6.7012 6.7125 6.9482 6.9546 7.5137 7.5361 7.7917 7.8002 8.0719 8.0721 8.7088 8.7121 9.2598 9.2750 9.3112 9.3298 9.9009 9.9058 13.5233 13.5476 13.7336 13.7415 13.9631 13.9733 15.3490 15.3572 k = 0.3027-0.0009-0.3036 ( 2728 PWs) bands (ev): -45.9357 -45.9357 -22.6721 -22.6706 -22.0325 -22.0304 -22.0063 -22.0052 -14.2580 -14.2579 -6.4244 -6.4177 -5.8061 -5.7968 -5.7150 -5.7097 -0.8078 -0.7886 1.0257 1.0419 1.2131 1.2511 6.6593 6.6699 6.8989 6.9044 7.4524 7.4724 7.7754 7.7850 8.0398 8.0404 8.7210 8.7252 9.2411 9.2548 9.3127 9.3312 9.9187 9.9225 13.5676 13.5916 13.7692 13.7773 14.0067 14.0166 15.3588 15.3671 k = 0.3116-0.0009-0.3125 ( 2728 PWs) bands (ev): -45.9357 -45.9357 -22.6729 -22.6714 -22.0338 -22.0318 -22.0067 -22.0055 -14.2533 -14.2532 -6.4133 -6.4065 -5.8049 -5.7955 -5.7122 -5.7069 -0.8085 -0.7888 1.0223 1.0387 1.2116 1.2506 6.6188 6.6288 6.8510 6.8556 7.3918 7.4096 7.7596 7.7702 8.0084 8.0095 8.7358 8.7410 9.2191 9.2323 9.3193 9.3375 9.9373 9.9401 13.6115 13.6352 13.8038 13.8121 14.0491 14.0588 15.3676 15.3760 k = 0.3205-0.0009-0.3214 ( 2730 PWs) bands (ev): -45.9356 -45.9356 -22.6737 -22.6722 -22.0351 -22.0331 -22.0070 -22.0059 -14.2486 -14.2486 -6.4013 -6.3946 -5.8036 -5.7943 -5.7101 -5.7048 -0.8094 -0.7894 1.0180 1.0344 1.2105 1.2501 6.5798 6.5891 6.8045 6.8083 7.3320 7.3479 7.7444 7.7559 7.9781 7.9795 8.7523 8.7586 9.1977 9.2114 9.3271 9.3459 9.9565 9.9586 13.6548 13.6782 13.8373 13.8457 14.0904 14.0998 15.3754 15.3838 k = 0.3294-0.0009-0.3304 ( 2732 PWs) bands (ev): -45.9356 -45.9356 -22.6744 -22.6730 -22.0364 -22.0344 -22.0073 -22.0062 -14.2442 -14.2441 -6.3886 -6.3819 -5.8024 -5.7930 -5.7087 -5.7033 -0.8107 -0.7904 1.0128 1.0288 1.2100 1.2496 6.5423 6.5510 6.7597 6.7627 7.2735 7.2876 7.7299 7.7420 7.9487 7.9505 8.7692 8.7766 9.1789 9.1939 9.3355 9.3552 9.9761 9.9779 13.6974 13.7204 13.8696 13.8782 14.1305 14.1395 15.3822 15.3907 k = 0.3383-0.0010-0.3393 ( 2734 PWs) bands (ev): -45.9355 -45.9355 -22.6751 -22.6737 -22.0376 -22.0357 -22.0076 -22.0066 -14.2399 -14.2399 -6.3752 -6.3685 -5.8013 -5.7918 -5.7081 -5.7027 -0.8123 -0.7919 1.0069 1.0221 1.2100 1.2492 6.5063 6.5143 6.7166 6.7189 7.2164 7.2290 7.7162 7.7287 7.9204 7.9226 8.7853 8.7938 9.1642 9.1808 9.3440 9.3649 9.9958 9.9976 13.7392 13.7617 13.9007 13.9094 14.1691 14.1778 15.3881 15.3965 k = 0.3472-0.0010-0.3482 ( 2728 PWs) bands (ev): -45.9355 -45.9355 -22.6758 -22.6744 -22.0387 -22.0369 -22.0079 -22.0068 -14.2359 -14.2358 -6.3612 -6.3545 -5.8001 -5.7907 -5.7083 -5.7028 -0.8141 -0.7938 1.0001 1.0145 1.2106 1.2489 6.4718 6.4792 6.6755 6.6770 7.1611 7.1722 7.7031 7.7159 7.8932 7.8958 8.7991 8.8084 9.1549 9.1733 9.3526 9.3749 10.0156 10.0177 13.7799 13.8020 13.9304 13.9392 14.2062 14.2145 15.3930 15.4014 k = 0.3561-0.0010-0.3571 ( 2720 PWs) bands (ev): -45.9354 -45.9354 -22.6764 -22.6751 -22.0397 -22.0380 -22.0081 -22.0071 -14.2320 -14.2320 -6.3466 -6.3400 -5.7990 -5.7896 -5.7092 -5.7036 -0.8162 -0.7959 0.9928 1.0060 1.2118 1.2488 6.4388 6.4455 6.6365 6.6372 7.1077 7.1175 7.6909 7.7036 7.8672 7.8701 8.8094 8.8190 9.1522 9.1724 9.3612 9.3851 10.0353 10.0378 13.8194 13.8412 13.9588 13.9677 14.2418 14.2497 15.3971 15.4054 k = 0.3650-0.0010-0.3661 ( 2722 PWs) bands (ev): -45.9354 -45.9354 -22.6770 -22.6758 -22.0408 -22.0391 -22.0084 -22.0074 -14.2284 -14.2283 -6.3315 -6.3250 -5.7980 -5.7885 -5.7110 -5.7053 -0.8184 -0.7984 0.9849 0.9969 1.2136 1.2490 6.4073 6.4134 6.5996 6.5997 7.0565 7.0651 7.6794 7.6920 7.8424 7.8456 8.8151 8.8247 9.1567 9.1786 9.3697 9.3955 10.0548 10.0577 13.8577 13.8789 13.9856 13.9947 14.2756 14.2831 15.4003 15.4085 k = 0.3740-0.0011-0.3750 ( 2722 PWs) bands (ev): -45.9353 -45.9353 -22.6776 -22.6764 -22.0418 -22.0402 -22.0086 -22.0077 -14.2249 -14.2249 -6.3160 -6.3096 -5.7970 -5.7874 -5.7135 -5.7077 -0.8207 -0.8012 0.9766 0.9874 1.2157 1.2493 6.3773 6.3828 6.5644 6.5652 7.0075 7.0150 7.6688 7.6811 7.8189 7.8223 8.8162 8.8252 9.1680 9.1915 9.3782 9.4060 10.0740 10.0773 13.8945 13.9152 14.0110 14.0202 14.3077 14.3147 15.4028 15.4108 k = 0.3829-0.0011-0.3839 ( 2728 PWs) bands (ev): -45.9353 -45.9353 -22.6782 -22.6770 -22.0427 -22.0412 -22.0088 -22.0080 -14.2217 -14.2216 -6.3002 -6.2939 -5.7961 -5.7864 -5.7168 -5.7109 -0.8230 -0.8042 0.9681 0.9777 1.2182 1.2497 6.3489 6.3537 6.5316 6.5331 6.9611 6.9675 7.6590 7.6709 7.7966 7.8003 8.8131 8.8211 9.1850 9.2102 9.3867 9.4167 10.0927 10.0963 13.9296 13.9498 14.0348 14.0442 14.3378 14.3444 15.4045 15.4124 k = 0.3918-0.0011-0.3929 ( 2730 PWs) bands (ev): -45.9353 -45.9353 -22.6787 -22.6776 -22.0436 -22.0422 -22.0090 -22.0082 -14.2187 -14.2187 -6.2842 -6.2780 -5.7953 -5.7855 -5.7208 -5.7147 -0.8254 -0.8073 0.9596 0.9680 1.2209 1.2503 6.3221 6.3263 6.5014 6.5035 6.9173 6.9228 7.6501 7.6615 7.7756 7.7795 8.8069 8.8137 9.2060 9.2330 9.3953 9.4276 10.1108 10.1146 13.9630 13.9827 14.0571 14.0667 14.3660 14.3721 15.4056 15.4132 k = 0.4007-0.0011-0.4018 ( 2732 PWs) bands (ev): -45.9352 -45.9352 -22.6791 -22.6782 -22.0444 -22.0431 -22.0092 -22.0085 -14.2159 -14.2159 -6.2682 -6.2622 -5.7946 -5.7846 -5.7255 -5.7192 -0.8277 -0.8105 0.9511 0.9585 1.2238 1.2510 6.2969 6.3006 6.4738 6.4764 6.8763 6.8810 7.6422 7.6529 7.7558 7.7599 8.7984 8.8042 9.2294 9.2583 9.4042 9.4387 10.1281 10.1320 13.9945 14.0136 14.0777 14.0875 14.3922 14.3978 15.4062 15.4135 k = 0.4096-0.0012-0.4107 ( 2732 PWs) bands (ev): -45.9352 -45.9352 -22.6796 -22.6787 -22.0452 -22.0439 -22.0094 -22.0087 -14.2134 -14.2133 -6.2523 -6.2465 -5.7939 -5.7837 -5.7308 -5.7242 -0.8300 -0.8138 0.9429 0.9493 1.2268 1.2517 6.2734 6.2766 6.4488 6.4519 6.8382 6.8421 7.6351 7.6452 7.7374 7.7416 8.7886 8.7934 9.2535 9.2844 9.4136 9.4502 10.1445 10.1485 14.0239 14.0424 14.0966 14.1067 14.4163 14.4214 15.4063 15.4132 k = 0.4185-0.0012-0.4196 ( 2730 PWs) bands (ev): -45.9352 -45.9352 -22.6800 -22.6791 -22.0458 -22.0447 -22.0095 -22.0089 -14.2111 -14.2110 -6.2366 -6.2312 -5.7934 -5.7829 -5.7366 -5.7296 -0.8321 -0.8170 0.9350 0.9405 1.2298 1.2523 6.2517 6.2545 6.4265 6.4299 6.8032 6.8064 7.6291 7.6384 7.7203 7.7245 8.7784 8.7822 9.2771 9.3095 9.4239 9.4620 10.1598 10.1638 14.0511 14.0691 14.1138 14.1242 14.4383 14.4429 15.4060 15.4125 k = 0.4274-0.0012-0.4286 ( 2728 PWs) bands (ev): -45.9351 -45.9351 -22.6803 -22.6795 -22.0464 -22.0454 -22.0097 -22.0091 -14.2090 -14.2090 -6.2215 -6.2164 -5.7930 -5.7822 -5.7427 -5.7353 -0.8340 -0.8203 0.9276 0.9324 1.2328 1.2529 6.2319 6.2342 6.4068 6.4104 6.7714 6.7739 7.6241 7.6327 7.7045 7.7088 8.7681 8.7713 9.2993 9.3322 9.4357 9.4741 10.1740 10.1778 14.0759 14.0933 14.1293 14.1401 14.4580 14.4621 15.4055 15.4115 k = 0.4363-0.0012-0.4375 ( 2730 PWs) bands (ev): -45.9351 -45.9351 -22.6806 -22.6799 -22.0469 -22.0460 -22.0098 -22.0093 -14.2072 -14.2071 -6.2071 -6.2023 -5.7927 -5.7816 -5.7489 -5.7411 -0.8357 -0.8234 0.9208 0.9249 1.2357 1.2534 6.2140 6.2160 6.3898 6.3933 6.7428 6.7448 7.6201 7.6280 7.6901 7.6943 8.7584 8.7609 9.3193 9.3512 9.4492 9.4863 10.1868 10.1905 14.0983 14.1151 14.1431 14.1542 14.4756 14.4792 15.4047 15.4102 k = 0.4452-0.0013-0.4464 ( 2726 PWs) bands (ev): -45.9351 -45.9351 -22.6808 -22.6803 -22.0474 -22.0466 -22.0099 -22.0094 -14.2056 -14.2055 -6.1937 -6.1893 -5.7924 -5.7811 -5.7551 -5.7467 -0.8371 -0.8263 0.9148 0.9183 1.2385 1.2537 6.1982 6.1999 6.3753 6.3787 6.7177 6.7193 7.6172 7.6243 7.6769 7.6811 8.7494 8.7514 9.3367 9.3659 9.4643 9.4982 10.1983 10.2017 14.1180 14.1342 14.1553 14.1666 14.4909 14.4940 15.4039 15.4088 k = 0.4541-0.0013-0.4554 ( 2724 PWs) bands (ev): -45.9351 -45.9351 -22.6810 -22.6806 -22.0477 -22.0470 -22.0099 -22.0096 -14.2042 -14.2042 -6.1814 -6.1776 -5.7923 -5.7808 -5.7609 -5.7521 -0.8383 -0.8290 0.9095 0.9124 1.2411 1.2539 6.1846 6.1860 6.3633 6.3664 6.6962 6.6973 7.6154 7.6218 7.6651 7.6692 8.7415 8.7430 9.3514 9.3766 9.4801 9.5094 10.2083 10.2113 14.1351 14.1503 14.1658 14.1771 14.5039 14.5065 15.4031 15.4073 k = 0.4630-0.0013-0.4643 ( 2728 PWs) bands (ev): -45.9351 -45.9351 -22.6812 -22.6808 -22.0480 -22.0475 -22.0100 -22.0097 -14.2031 -14.2031 -6.1707 -6.1675 -5.7922 -5.7809 -5.7659 -5.7569 -0.8391 -0.8315 0.9051 0.9075 1.2435 1.2538 6.1733 6.1744 6.3536 6.3563 6.6782 6.6790 7.6148 7.6205 7.6545 7.6585 8.7348 8.7359 9.3635 9.3839 9.4954 9.5193 10.2167 10.2192 14.1494 14.1631 14.1752 14.1858 14.5147 14.5168 15.4024 15.4058 k = 0.4719-0.0013-0.4732 ( 2728 PWs) bands (ev): -45.9351 -45.9351 -22.6814 -22.6811 -22.0482 -22.0478 -22.0100 -22.0098 -14.2022 -14.2022 -6.1618 -6.1592 -5.7920 -5.7819 -5.7694 -5.7611 -0.8395 -0.8337 0.9017 0.9035 1.2457 1.2535 6.1643 6.1652 6.3462 6.3484 6.6640 6.6646 7.6152 7.6203 7.6453 7.6492 8.7294 8.7302 9.3731 9.3885 9.5092 9.5273 10.2235 10.2255 14.1609 14.1721 14.1836 14.1925 14.5232 14.5248 15.4018 15.4045 k = 0.4808-0.0014-0.4821 ( 2728 PWs) bands (ev): -45.9350 -45.9350 -22.6814 -22.6812 -22.0484 -22.0481 -22.0100 -22.0099 -14.2015 -14.2015 -6.1549 -6.1531 -5.7915 -5.7839 -5.7709 -5.7646 -0.8396 -0.8356 0.8993 0.9005 1.2476 1.2530 6.1578 6.1584 6.3410 6.3426 6.6536 6.6540 7.6168 7.6214 7.6373 7.6412 8.7255 8.7260 9.3805 9.3909 9.5204 9.5327 10.2286 10.2299 14.1697 14.1775 14.1908 14.1971 14.5295 14.5306 15.4015 15.4034 k = 0.4897-0.0014-0.4911 ( 2720 PWs) bands (ev): -45.9350 -45.9350 -22.6814 -22.6813 -22.0484 -22.0483 -22.0100 -22.0099 -14.2011 -14.2011 -6.1503 -6.1494 -5.7907 -5.7864 -5.7709 -5.7674 -0.8393 -0.8371 0.8978 0.8985 1.2493 1.2522 6.1538 6.1541 6.3380 6.3388 6.6472 6.6474 7.6195 7.6237 7.6307 7.6345 8.7230 8.7233 9.3859 9.3914 9.5288 9.5353 10.2319 10.2326 14.1758 14.1800 14.1961 14.1996 14.5335 14.5340 15.4015 15.4025 k = 0.4986-0.0014-0.5000 ( 2716 PWs) bands (ev): -45.9350 -45.9350 -22.6814 -22.6814 -22.0484 -22.0484 -22.0100 -22.0099 -14.2010 -14.2010 -6.1482 -6.1481 -5.7892 -5.7886 -5.7699 -5.7694 -0.8386 -0.8383 0.8974 0.8975 1.2508 1.2512 6.1523 6.1523 6.3370 6.3371 6.6446 6.6447 7.6233 7.6247 7.6279 7.6292 8.7221 8.7222 9.3894 9.3902 9.5338 9.5347 10.2334 10.2335 14.1793 14.1798 14.1992 14.1997 14.5352 14.5353 15.4017 15.4018 k = 0.5014 0.4972-0.0028 ( 2716 PWs) bands (ev): -45.9350 -45.9350 -22.6814 -22.6814 -22.0484 -22.0484 -22.0100 -22.0099 -14.2010 -14.2010 -6.1483 -6.1482 -5.7891 -5.7886 -5.7698 -5.7693 -0.8386 -0.8383 0.8974 0.8975 1.2508 1.2512 6.1523 6.1523 6.3371 6.3372 6.6447 6.6447 7.6234 7.6247 7.6279 7.6292 8.7221 8.7221 9.3894 9.3901 9.5337 9.5346 10.2334 10.2335 14.1793 14.1799 14.1992 14.1997 14.5352 14.5353 15.4017 15.4018 k = 0.5000 0.4986-0.0028 ( 2716 PWs) bands (ev): -45.9350 -45.9350 -22.6814 -22.6814 -22.0484 -22.0484 -22.0100 -22.0100 -14.2010 -14.2010 -6.1482 -6.1482 -5.7889 -5.7889 -5.7696 -5.7696 -0.8385 -0.8385 0.8975 0.8975 1.2510 1.2510 6.1523 6.1523 6.3371 6.3371 6.6446 6.6446 7.6240 7.6240 7.6285 7.6285 8.7221 8.7221 9.3898 9.3898 9.5342 9.5342 10.2335 10.2335 14.1796 14.1796 14.1995 14.1995 14.5353 14.5353 15.4017 15.4017 k = 0.5000 0.4986-0.0028 ( 2716 PWs) bands (ev): -45.9350 -45.9350 -22.6814 -22.6814 -22.0484 -22.0484 -22.0100 -22.0100 -14.2010 -14.2010 -6.1482 -6.1482 -5.7889 -5.7889 -5.7696 -5.7696 -0.8385 -0.8385 0.8975 0.8975 1.2510 1.2510 6.1523 6.1523 6.3371 6.3371 6.6446 6.6446 7.6240 7.6240 7.6285 7.6285 8.7221 8.7221 9.3898 9.3898 9.5342 9.5342 10.2335 10.2335 14.1796 14.1796 14.1995 14.1995 14.5353 14.5353 15.4017 15.4017 k = 0.5000 0.4986 0.0096 ( 2716 PWs) bands (ev): -45.9350 -45.9350 -22.6814 -22.6814 -22.0484 -22.0484 -22.0101 -22.0100 -14.2009 -14.2009 -6.1475 -6.1474 -5.7888 -5.7884 -5.7694 -5.7693 -0.8413 -0.8377 0.8963 0.8963 1.2466 1.2512 6.1520 6.1527 6.3398 6.3401 6.6446 6.6446 7.6240 7.6251 7.6296 7.6297 8.7175 8.7179 9.3909 9.3910 9.5347 9.5350 10.2336 10.2336 14.1794 14.1808 14.1998 14.1999 14.5356 14.5357 15.4063 15.4076 k = 0.5001 0.4987 0.0221 ( 2722 PWs) bands (ev): -45.9350 -45.9350 -22.6816 -22.6814 -22.0484 -22.0484 -22.0103 -22.0101 -14.2006 -14.2006 -6.1453 -6.1450 -5.7882 -5.7874 -5.7687 -5.7686 -0.8461 -0.8391 0.8927 0.8927 1.2381 1.2473 6.1518 6.1533 6.3481 6.3487 6.6446 6.6446 7.6250 7.6270 7.6329 7.6332 8.7042 8.7051 9.3943 9.3945 9.5365 9.5372 10.2339 10.2339 14.1801 14.1830 14.2010 14.2014 14.5367 14.5368 15.4212 15.4236 k = 0.5001 0.4987 0.0345 ( 2722 PWs) bands (ev): -45.9350 -45.9350 -22.6817 -22.6815 -22.0484 -22.0483 -22.0106 -22.0104 -14.2001 -14.2001 -6.1415 -6.1411 -5.7870 -5.7859 -5.7676 -5.7675 -0.8530 -0.8426 0.8867 0.8868 1.2257 1.2394 6.1519 6.1539 6.3619 6.3630 6.6446 6.6446 7.6268 7.6299 7.6386 7.6390 8.6826 8.6838 9.3999 9.4003 9.5397 9.5407 10.2344 10.2344 14.1815 14.1860 14.2033 14.2042 14.5384 14.5386 15.4460 15.4495 k = 0.5001 0.4987 0.0469 ( 2724 PWs) bands (ev): -45.9350 -45.9350 -22.6819 -22.6816 -22.0483 -22.0483 -22.0111 -22.0107 -14.1994 -14.1994 -6.1363 -6.1357 -5.7853 -5.7838 -5.7660 -5.7659 -0.8619 -0.8481 0.8785 0.8786 1.2095 1.2274 6.1520 6.1545 6.3813 6.3827 6.6446 6.6446 7.6294 7.6336 7.6463 7.6469 8.6531 8.6546 9.4077 9.4084 9.5442 9.5454 10.2351 10.2351 14.1836 14.1896 14.2071 14.2086 14.5409 14.5411 15.4803 15.4849 k = 0.5002 0.4988 0.0593 ( 2730 PWs) bands (ev): -45.9350 -45.9350 -22.6821 -22.6817 -22.0483 -22.0483 -22.0117 -22.0112 -14.1985 -14.1985 -6.1295 -6.1289 -5.7831 -5.7813 -5.7640 -5.7639 -0.8728 -0.8556 0.8680 0.8682 1.1895 1.2117 6.1523 6.1550 6.4059 6.4077 6.6446 6.6446 7.6328 7.6382 7.6561 7.6569 8.6162 8.6179 9.4176 9.4185 9.5500 9.5515 10.2360 10.2360 14.1863 14.1936 14.2129 14.2147 14.5441 14.5443 15.5235 15.5289 k = 0.5002 0.4988 0.0718 ( 2734 PWs) bands (ev): -45.9350 -45.9350 -22.6824 -22.6819 -22.0483 -22.0483 -22.0123 -22.0118 -14.1974 -14.1974 -6.1213 -6.1206 -5.7804 -5.7782 -5.7616 -5.7615 -0.8854 -0.8651 0.8553 0.8556 1.1662 1.1923 6.1525 6.1554 6.4356 6.4378 6.6446 6.6447 7.6368 7.6434 7.6677 7.6687 8.5726 8.5744 9.4295 9.4306 9.5572 9.5588 10.2371 10.2371 14.1897 14.1978 14.2206 14.2227 14.5480 14.5482 15.5749 15.5809 k = 0.5002 0.4988 0.0842 ( 2737 PWs) bands (ev): -45.9350 -45.9350 -22.6826 -22.6821 -22.0482 -22.0482 -22.0131 -22.0125 -14.1962 -14.1962 -6.1117 -6.1108 -5.7772 -5.7746 -5.7588 -5.7586 -0.8999 -0.8765 0.8406 0.8409 1.1397 1.1696 6.1528 6.1558 6.4702 6.4725 6.6446 6.6447 7.6413 7.6491 7.6809 7.6821 8.5230 8.5248 9.4434 9.4448 9.5657 9.5675 10.2383 10.2383 14.1942 14.2028 14.2303 14.2324 14.5526 14.5528 15.6334 15.6400 k = 0.5003 0.4989 0.0966 ( 2736 PWs) bands (ev): -45.9350 -45.9350 -22.6829 -22.6824 -22.0482 -22.0481 -22.0139 -22.0132 -14.1948 -14.1948 -6.1008 -6.0998 -5.7735 -5.7706 -5.7555 -5.7554 -0.9160 -0.8897 0.8240 0.8243 1.1103 1.1437 6.1530 6.1560 6.5092 6.5115 6.6447 6.6449 7.6460 7.6552 7.6954 7.6969 8.4682 8.4700 9.4592 9.4608 9.5756 9.5775 10.2397 10.2398 14.1998 14.2086 14.2418 14.2437 14.5578 14.5580 15.6984 15.7054 k = 0.5003 0.4989 0.1091 ( 2739 PWs) bands (ev): -45.9349 -45.9349 -22.6833 -22.6827 -22.0481 -22.0481 -22.0148 -22.0141 -14.1932 -14.1932 -6.0886 -6.0874 -5.7693 -5.7661 -5.7519 -5.7518 -0.9337 -0.9047 0.8055 0.8059 1.0784 1.1149 6.1531 6.1560 6.5524 6.5543 6.6447 6.6453 7.6508 7.6614 7.7110 7.7127 8.4092 8.4107 9.4769 9.4788 9.5869 9.5888 10.2413 10.2414 14.2068 14.2156 14.2548 14.2566 14.5636 14.5638 15.7688 15.7761 k = 0.5003 0.4989 0.1215 ( 2738 PWs) bands (ev): -45.9349 -45.9349 -22.6836 -22.6829 -22.0481 -22.0480 -22.0158 -22.0150 -14.1914 -14.1914 -6.0751 -6.0738 -5.7647 -5.7611 -5.7479 -5.7478 -0.9528 -0.9212 0.7854 0.7859 1.0442 1.0836 6.1532 6.1560 6.5992 6.5998 6.6449 6.6465 7.6553 7.6675 7.7272 7.7293 8.3469 8.3481 9.4965 9.4986 9.5997 9.6017 10.2431 10.2432 14.2152 14.2239 14.2693 14.2710 14.5701 14.5702 15.8437 15.8512 k = 0.5004 0.4990 0.1339 ( 2736 PWs) bands (ev): -45.9349 -45.9349 -22.6840 -22.6833 -22.0480 -22.0479 -22.0169 -22.0159 -14.1895 -14.1895 -6.0604 -6.0590 -5.7597 -5.7558 -5.7436 -5.7434 -0.9732 -0.9392 0.7637 0.7643 1.0080 1.0500 6.1531 6.1558 6.6372 6.6426 6.6519 6.6588 7.6591 7.6728 7.7435 7.7461 8.2827 8.2834 9.5179 9.5203 9.6140 9.6159 10.2450 10.2451 14.2251 14.2336 14.2852 14.2867 14.5771 14.5772 15.9222 15.9298 k = 0.5004 0.4990 0.1464 ( 2734 PWs) bands (ev): -45.9348 -45.9348 -22.6844 -22.6836 -22.0479 -22.0478 -22.0180 -22.0170 -14.1875 -14.1875 -6.0447 -6.0432 -5.7544 -5.7501 -5.7389 -5.7388 -0.9948 -0.9587 0.7407 0.7413 0.9702 1.0144 6.1529 6.1555 6.6426 6.6445 6.7033 6.7058 7.6616 7.6768 7.7594 7.7625 8.2181 8.2182 9.5412 9.5438 9.6298 9.6318 10.2470 10.2472 14.2365 14.2448 14.3023 14.3036 14.5846 14.5846 16.0034 16.0109 k = 0.5005 0.4990 0.1588 ( 2734 PWs) bands (ev): -45.9348 -45.9348 -22.6849 -22.6840 -22.0478 -22.0478 -22.0192 -22.0181 -14.1854 -14.1854 -6.0280 -6.0263 -5.7486 -5.7440 -5.7340 -5.7338 -1.0175 -0.9794 0.7164 0.7171 0.9310 0.9772 6.1525 6.1549 6.6435 6.6447 6.7587 6.7595 7.6617 7.6781 7.7742 7.7779 8.1543 8.1556 9.5662 9.5690 9.6473 9.6492 10.2492 10.2494 14.2494 14.2573 14.3205 14.3217 14.5926 14.5926 16.0862 16.0938 k = 0.5005 0.4991 0.1712 ( 2730 PWs) bands (ev): -45.9348 -45.9348 -22.6853 -22.6844 -22.0477 -22.0477 -22.0204 -22.0193 -14.1831 -14.1831 -6.0104 -6.0085 -5.7426 -5.7376 -5.7287 -5.7286 -1.0410 -1.0012 0.6911 0.6919 0.8909 0.9387 6.1519 6.1542 6.6440 6.6449 6.8153 6.8162 7.6578 7.6749 7.7870 7.7910 8.0950 8.0982 9.5930 9.5960 9.6663 9.6682 10.2515 10.2517 14.2637 14.2712 14.3398 14.3409 14.6010 14.6010 16.1697 16.1773 k = 0.5005 0.4991 0.1836 ( 2728 PWs) bands (ev): -45.9347 -45.9347 -22.6858 -22.6848 -22.0476 -22.0476 -22.0217 -22.0205 -14.1808 -14.1808 -5.9919 -5.9900 -5.7363 -5.7310 -5.7232 -5.7231 -1.0653 -1.0239 0.6650 0.6658 0.8500 0.8991 6.1511 6.1532 6.6443 6.6451 6.8723 6.8751 7.6474 7.6638 7.7970 7.8006 8.0446 8.0502 9.6214 9.6245 9.6871 9.6890 10.2538 10.2541 14.2793 14.2864 14.3600 14.3611 14.6097 14.6098 16.2530 16.2605 k = 0.5006 0.4992 0.1961 ( 2726 PWs) bands (ev): -45.9347 -45.9347 -22.6862 -22.6853 -22.0475 -22.0475 -22.0230 -22.0218 -14.1784 -14.1783 -5.9728 -5.9707 -5.7297 -5.7241 -5.7175 -5.7174 -1.0901 -1.0475 0.6381 0.6390 0.8088 0.8588 6.1499 6.1520 6.6446 6.6453 6.9301 6.9350 7.6269 7.6411 7.8043 7.8057 8.0079 8.0160 9.6513 9.6546 9.7095 9.7113 10.2563 10.2566 14.2961 14.3028 14.3811 14.3820 14.6188 14.6190 16.3349 16.3425 k = 0.5006 0.4992 0.2085 ( 2732 PWs) bands (ev): -45.9347 -45.9347 -22.6868 -22.6858 -22.0475 -22.0474 -22.0244 -22.0232 -14.1759 -14.1758 -5.9530 -5.9508 -5.7230 -5.7170 -5.7116 -5.7114 -1.1153 -1.0718 0.6107 0.6117 0.7673 0.8180 6.1485 6.1504 6.6448 6.6455 6.9880 6.9954 7.5935 7.6043 7.8069 7.8100 7.9876 7.9972 9.6827 9.6861 9.7335 9.7353 10.2588 10.2592 14.3140 14.3203 14.4029 14.4038 14.6282 14.6285 16.4146 16.4223 k = 0.5006 0.4992 0.2209 ( 2726 PWs) bands (ev): -45.9346 -45.9346 -22.6872 -22.6862 -22.0473 -22.0473 -22.0257 -22.0245 -14.1733 -14.1733 -5.9328 -5.9304 -5.7161 -5.7097 -5.7055 -5.7052 -1.1409 -1.0966 0.5829 0.5841 0.7260 0.7769 6.1466 6.1483 6.6451 6.6458 7.0455 7.0556 7.5471 7.5546 7.8069 7.8158 7.9814 7.9913 9.7154 9.7188 9.7591 9.7610 10.2614 10.2619 14.3329 14.3387 14.4253 14.4262 14.6378 14.6382 16.4910 16.4989 k = 0.5007 0.4993 0.2334 ( 2728 PWs) bands (ev): -45.9346 -45.9346 -22.6878 -22.6867 -22.0473 -22.0472 -22.0271 -22.0259 -14.1707 -14.1707 -5.9122 -5.9096 -5.7092 -5.7024 -5.6992 -5.6988 -1.1665 -1.1218 0.5550 0.5563 0.6851 0.7359 6.1442 6.1459 6.6454 6.6461 7.1019 7.1150 7.4909 7.4959 7.8082 7.8229 7.9844 7.9939 9.7492 9.7526 9.7862 9.7881 10.2641 10.2646 14.3526 14.3579 14.4483 14.4491 14.6476 14.6480 16.5631 16.5713 k = 0.5007 0.4993 0.2458 ( 2728 PWs) bands (ev): -45.9345 -45.9345 -22.6883 -22.6873 -22.0472 -22.0471 -22.0285 -22.0272 -14.1681 -14.1681 -5.8913 -5.8886 -5.7023 -5.6952 -5.6927 -5.6923 -1.1921 -1.1472 0.5271 0.5284 0.6447 0.6952 6.1414 6.1429 6.6458 6.6463 7.1562 7.1728 7.4290 7.4326 7.8115 7.8315 7.9926 8.0014 9.7840 9.7873 9.8147 9.8166 10.2667 10.2674 14.3730 14.3779 14.4716 14.4723 14.6576 14.6581 16.6299 16.6387 k = 0.5007 0.4993 0.2582 ( 2728 PWs) bands (ev): -45.9345 -45.9345 -22.6888 -22.6878 -22.0471 -22.0470 -22.0299 -22.0286 -14.1655 -14.1655 -5.8704 -5.8675 -5.6954 -5.6883 -5.6859 -5.6856 -1.2174 -1.1727 0.4993 0.5008 0.6052 0.6550 6.1379 6.1393 6.6461 6.6467 7.2063 7.2264 7.3664 7.3692 7.8168 7.8416 8.0032 8.0115 9.8194 9.8227 9.8445 9.8464 10.2694 10.2702 14.3939 14.3983 14.4952 14.4959 14.6676 14.6682 16.6905 16.7000 k = 0.5008 0.4994 0.2707 ( 2728 PWs) bands (ev): -45.9345 -45.9345 -22.6893 -22.6883 -22.0470 -22.0469 -22.0312 -22.0299 -14.1629 -14.1629 -5.8494 -5.8464 -5.6885 -5.6816 -5.6788 -5.6787 -1.2424 -1.1981 0.4718 0.4735 0.5666 0.6155 6.1337 6.1350 6.6465 6.6470 7.2394 7.2575 7.3199 7.3233 7.8241 7.8531 8.0149 8.0226 9.8554 9.8586 9.8754 9.8774 10.2721 10.2729 14.4151 14.4191 14.5190 14.5196 14.6777 14.6784 16.7444 16.7548 k = 0.5008 0.4994 0.2831 ( 2740 PWs) bands (ev): -45.9344 -45.9344 -22.6898 -22.6888 -22.0470 -22.0468 -22.0326 -22.0313 -14.1604 -14.1603 -5.8286 -5.8254 -5.6819 -5.6752 -5.6719 -5.6714 -1.2669 -1.2232 0.4448 0.4466 0.5293 0.5769 6.1288 6.1299 6.6468 6.6473 7.2103 7.2155 7.3311 7.3512 7.8333 7.8660 8.0267 8.0341 9.8915 9.8946 9.9072 9.9092 10.2747 10.2757 14.4365 14.4401 14.5428 14.5434 14.6878 14.6886 16.7909 16.8026 k = 0.5008 0.4994 0.2955 ( 2736 PWs) bands (ev): -45.9344 -45.9344 -22.6903 -22.6893 -22.0469 -22.0468 -22.0338 -22.0326 -14.1578 -14.1578 -5.8081 -5.8047 -5.6754 -5.6689 -5.6650 -5.6641 -1.2908 -1.2480 0.4184 0.4204 0.4933 0.5394 6.1231 6.1241 6.6472 6.6476 7.1518 7.1544 7.3703 7.3966 7.8444 7.8803 8.0383 8.0454 9.9276 9.9304 9.9398 9.9419 10.2773 10.2785 14.4579 14.4611 14.5664 14.5670 14.6979 14.6987 16.8300 16.8431 k = 0.5009 0.4995 0.3079 ( 2732 PWs) bands (ev): -45.9344 -45.9344 -22.6908 -22.6898 -22.0468 -22.0467 -22.0351 -22.0338 -14.1554 -14.1553 -5.7881 -5.7844 -5.6691 -5.6627 -5.6581 -5.6569 -1.3139 -1.2722 0.3929 0.3950 0.4588 0.5032 6.1164 6.1173 6.6475 6.6480 7.0915 7.0933 7.4106 7.4407 7.8575 7.8960 8.0493 8.0562 9.9632 9.9656 9.9731 9.9751 10.2798 10.2812 14.4791 14.4820 14.5898 14.5904 14.7079 14.7087 16.8620 16.8767 k = 0.5009 0.4995 0.3204 ( 2740 PWs) bands (ev): -45.9343 -45.9343 -22.6913 -22.6904 -22.0468 -22.0466 -22.0363 -22.0351 -14.1530 -14.1529 -5.7686 -5.7647 -5.6630 -5.6567 -5.6512 -5.6499 -1.3360 -1.2958 0.3682 0.3705 0.4261 0.4683 6.1088 6.1096 6.6479 6.6483 7.0332 7.0348 7.4482 7.4809 7.8728 7.9131 8.0595 8.0664 9.9980 9.9998 10.0069 10.0086 10.2823 10.2838 14.5000 14.5026 14.6129 14.6134 14.7177 14.7186 16.8873 16.9036 k = 0.5009 0.4995 0.3328 ( 2738 PWs) bands (ev): -45.9343 -45.9343 -22.6917 -22.6908 -22.0467 -22.0466 -22.0374 -22.0363 -14.1506 -14.1506 -5.7498 -5.7456 -5.6572 -5.6508 -5.6445 -5.6431 -1.3571 -1.3185 0.3446 0.3471 0.3951 0.4351 6.1003 6.1009 6.6483 6.6486 6.9784 6.9797 7.4823 7.5166 7.8904 7.9314 8.0690 8.0758 10.0318 10.0328 10.0408 10.0421 10.2847 10.2864 14.5203 14.5226 14.6353 14.6359 14.7274 14.7284 16.9066 16.9247 k = 0.5010 0.4996 0.3452 ( 2741 PWs) bands (ev): -45.9343 -45.9343 -22.6921 -22.6913 -22.0467 -22.0465 -22.0385 -22.0374 -14.1484 -14.1484 -5.7319 -5.7273 -5.6516 -5.6450 -5.6380 -5.6365 -1.3770 -1.3404 0.3222 0.3249 0.3660 0.4036 6.0908 6.0913 6.6486 6.6490 6.9274 6.9286 7.5125 7.5473 7.9101 7.9507 8.0776 8.0845 10.0645 10.0649 10.0741 10.0752 10.2870 10.2889 14.5399 14.5420 14.6571 14.6577 14.7369 14.7379 16.9209 16.9408 k = 0.5010 0.4996 0.3577 ( 2746 PWs) bands (ev): -45.9342 -45.9342 -22.6926 -22.6918 -22.0467 -22.0465 -22.0396 -22.0385 -14.1464 -14.1463 -5.7150 -5.7101 -5.6463 -5.6394 -5.6318 -5.6304 -1.3957 -1.3611 0.3011 0.3040 0.3390 0.3738 6.0805 6.0809 6.6489 6.6493 6.8808 6.8819 7.5389 7.5732 7.9317 7.9707 8.0854 8.0924 10.0957 10.0959 10.1062 10.1072 10.2891 10.2913 14.5586 14.5605 14.6781 14.6786 14.7462 14.7472 16.9311 16.9527 k = 0.5010 0.4996 0.3701 ( 2746 PWs) bands (ev): -45.9342 -45.9342 -22.6929 -22.6922 -22.0467 -22.0465 -22.0405 -22.0394 -14.1444 -14.1444 -5.6993 -5.6939 -5.6412 -5.6340 -5.6258 -5.6245 -1.4130 -1.3807 0.2815 0.2845 0.3140 0.3461 6.0695 6.0698 6.6493 6.6496 6.8387 6.8397 7.5615 7.5944 7.9546 7.9909 8.0924 8.0996 10.1252 10.1258 10.1369 10.1379 10.2912 10.2937 14.5763 14.5779 14.6981 14.6986 14.7551 14.7561 16.9383 16.9613 k = 0.5011 0.4997 0.3825 ( 2750 PWs) bands (ev): -45.9342 -45.9342 -22.6933 -22.6926 -22.0467 -22.0465 -22.0413 -22.0403 -14.1426 -14.1426 -5.6849 -5.6790 -5.6364 -5.6287 -5.6202 -5.6191 -1.4287 -1.3990 0.2634 0.2666 0.2913 0.3203 6.0580 6.0582 6.6496 6.6498 6.8013 6.8021 7.5809 7.6115 7.9781 8.0108 8.0985 8.1061 10.1530 10.1540 10.1657 10.1668 10.2931 10.2959 14.5927 14.5941 14.7169 14.7173 14.7637 14.7647 16.9431 16.9674 k = 0.5011 0.4997 0.3950 ( 2748 PWs) bands (ev): -45.9341 -45.9341 -22.6936 -22.6930 -22.0467 -22.0466 -22.0420 -22.0411 -14.1409 -14.1409 -5.6720 -5.6656 -5.6318 -5.6236 -5.6150 -5.6141 -1.4429 -1.4159 0.2470 0.2502 0.2708 0.2967 6.0462 6.0464 6.6499 6.6501 6.7684 6.7691 7.5972 7.6250 8.0014 8.0299 8.1040 8.1119 10.1788 10.1802 10.1923 10.1937 10.2949 10.2981 14.6077 14.6090 14.7343 14.7348 14.7720 14.7728 16.9466 16.9716 k = 0.5012 0.4997 0.4074 ( 2750 PWs) bands (ev): -45.9341 -45.9341 -22.6939 -22.6933 -22.0468 -22.0466 -22.0426 -22.0418 -14.1394 -14.1394 -5.6607 -5.6539 -5.6273 -5.6186 -5.6102 -5.6096 -1.4555 -1.4313 0.2324 0.2356 0.2525 0.2754 6.0346 6.0347 6.6501 6.6503 6.7401 6.7407 7.6108 7.6355 8.0238 8.0477 8.1088 8.1173 10.2024 10.2042 10.2166 10.2181 10.2965 10.3003 14.6213 14.6224 14.7503 14.7507 14.7797 14.7805 16.9492 16.9745 k = 0.5012 0.4998 0.4198 ( 2753 PWs) bands (ev): -45.9341 -45.9341 -22.6941 -22.6936 -22.0469 -22.0468 -22.0431 -22.0424 -14.1381 -14.1381 -5.6511 -5.6442 -5.6226 -5.6139 -5.6058 -5.6055 -1.4663 -1.4451 0.2198 0.2228 0.2366 0.2563 6.0234 6.0234 6.6504 6.6505 6.7161 6.7165 7.6222 7.6435 8.0447 8.0635 8.1130 8.1221 10.2234 10.2256 10.2381 10.2399 10.2981 10.3025 14.6332 14.6341 14.7646 14.7649 14.7868 14.7876 16.9517 16.9763 k = 0.5012 0.4998 0.4322 ( 2760 PWs) bands (ev): -45.9341 -45.9341 -22.6944 -22.6939 -22.0470 -22.0469 -22.0435 -22.0429 -14.1370 -14.1369 -5.6433 -5.6367 -5.6178 -5.6094 -5.6019 -5.6019 -1.4754 -1.4573 0.2091 0.2118 0.2230 0.2396 6.0130 6.0130 6.6506 6.6507 6.6962 6.6966 7.6315 7.6495 8.0633 8.0770 8.1167 8.1265 10.2415 10.2442 10.2567 10.2587 10.2998 10.3047 14.6435 14.6442 14.7770 14.7772 14.7934 14.7940 16.9544 16.9771 k = 0.5013 0.4999 0.4447 ( 2770 PWs) bands (ev): -45.9341 -45.9341 -22.6946 -22.6942 -22.0472 -22.0471 -22.0438 -22.0433 -14.1360 -14.1360 -5.6371 -5.6315 -5.6128 -5.6056 -5.5987 -5.5985 -1.4826 -1.4678 0.2005 0.2028 0.2117 0.2253 6.0038 6.0038 6.6507 6.6508 6.6802 6.6805 7.6391 7.6537 8.0791 8.0880 8.1202 8.1304 10.2566 10.2597 10.2721 10.2742 10.3016 10.3071 14.6520 14.6526 14.7873 14.7875 14.7992 14.7996 16.9577 16.9766 k = 0.5013 0.4999 0.4571 ( 2780 PWs) bands (ev): -45.9341 -45.9341 -22.6947 -22.6945 -22.0473 -22.0473 -22.0440 -22.0437 -14.1352 -14.1352 -5.6324 -5.6281 -5.6082 -5.6026 -5.5958 -5.5956 -1.4880 -1.4765 0.1941 0.1957 0.2028 0.2135 5.9961 5.9962 6.6509 6.6509 6.6678 6.6680 7.6453 7.6564 8.0917 8.0963 8.1236 8.1336 10.2683 10.2717 10.2840 10.2859 10.3042 10.3096 14.6587 14.6592 14.7954 14.7954 14.8042 14.8045 16.9614 16.9743 k = 0.5013 0.4999 0.4695 ( 2800 PWs) bands (ev): -45.9341 -45.9341 -22.6949 -22.6947 -22.0475 -22.0475 -22.0442 -22.0439 -14.1347 -14.1347 -5.6291 -5.6261 -5.6045 -5.6006 -5.5935 -5.5934 -1.4915 -1.4834 0.1897 0.1906 0.1964 0.2042 5.9903 5.9903 6.6509 6.6510 6.6590 6.6591 7.6500 7.6578 8.1004 8.1021 8.1273 8.1358 10.2767 10.2799 10.2924 10.2935 10.3078 10.3122 14.6637 14.6640 14.8010 14.8011 14.8083 14.8084 16.9646 16.9704 k = 0.5014 0.5000 0.4820 ( 2800 PWs) bands (ev): -45.9341 -45.9341 -22.6949 -22.6948 -22.0476 -22.0476 -22.0442 -22.0441 -14.1343 -14.1343 -5.6268 -5.6252 -5.6018 -5.5997 -5.5918 -5.5918 -1.4931 -1.4884 0.1872 0.1874 0.1927 0.1975 5.9865 5.9865 6.6509 6.6510 6.6535 6.6536 7.6536 7.6581 8.1054 8.1058 8.1310 8.1364 10.2821 10.2843 10.2975 10.2978 10.3117 10.3142 14.6669 14.6671 14.8043 14.8044 14.8112 14.8113 16.9658 16.9666 k = 0.5014 0.5000 0.4944 ( 2800 PWs) bands (ev): -45.9341 -45.9341 -22.6949 -22.6949 -22.0476 -22.0476 -22.0442 -22.0442 -14.1342 -14.1342 -5.6256 -5.6251 -5.6003 -5.5997 -5.5911 -5.5911 -1.4927 -1.4915 0.1862 0.1862 0.1923 0.1935 5.9849 5.9850 6.6506 6.6506 6.6516 6.6516 7.6561 7.6572 8.1075 8.1075 8.1339 8.1354 10.2847 10.2853 10.2995 10.2995 10.3141 10.3147 14.6683 14.6683 14.8057 14.8057 14.8125 14.8125 16.9649 16.9650 k = 0.5014 0.5000 0.4944 ( 2800 PWs) bands (ev): -45.9341 -45.9341 -22.6949 -22.6949 -22.0476 -22.0476 -22.0442 -22.0442 -14.1342 -14.1342 -5.6256 -5.6251 -5.6003 -5.5997 -5.5911 -5.5911 -1.4927 -1.4915 0.1862 0.1862 0.1923 0.1935 5.9849 5.9850 6.6506 6.6506 6.6516 6.6516 7.6561 7.6572 8.1075 8.1075 8.1339 8.1354 10.2847 10.2853 10.2995 10.2995 10.3141 10.3147 14.6683 14.6683 14.8057 14.8057 14.8125 14.8125 16.9649 16.9650 k = 0.5000 0.4986 0.4972 ( 2800 PWs) bands (ev): -45.9341 -45.9341 -22.6949 -22.6949 -22.0476 -22.0476 -22.0442 -22.0442 -14.1342 -14.1342 -5.6253 -5.6253 -5.6000 -5.6000 -5.5910 -5.5910 -1.4922 -1.4922 0.1862 0.1862 0.1928 0.1928 5.9849 5.9849 6.6505 6.6505 6.6515 6.6515 7.6567 7.6567 8.1076 8.1076 8.1347 8.1347 10.2851 10.2851 10.2996 10.2996 10.3145 10.3145 14.6684 14.6684 14.8058 14.8058 14.8126 14.8126 16.9649 16.9649 k = 0.5000-0.0014-0.0014 ( 2750 PWs) bands (ev): -45.9361 -45.9361 -22.6675 -22.6675 -22.0320 -22.0320 -21.9945 -21.9945 -14.2771 -14.2771 -6.7323 -6.7323 -5.7951 -5.7951 -5.5400 -5.5400 -0.7234 -0.7234 1.1696 1.1696 1.3274 1.3274 6.4286 6.4286 7.6378 7.6378 7.6552 7.6552 8.2170 8.2170 8.2688 8.2688 8.6064 8.6064 8.7171 8.7171 9.3834 9.3834 9.5111 9.5111 12.8661 12.8661 14.1122 14.1122 14.2112 14.2112 14.7910 14.7910 k = 0.5000 0.0075 0.0075 ( 2752 PWs) bands (ev): -45.9361 -45.9361 -22.6676 -22.6675 -22.0320 -22.0320 -21.9945 -21.9945 -14.2770 -14.2770 -6.7316 -6.7315 -5.7950 -5.7950 -5.5404 -5.5403 -0.7236 -0.7235 1.1695 1.1695 1.3267 1.3268 6.4280 6.4286 7.6375 7.6383 7.6542 7.6552 8.2069 8.2105 8.2633 8.2637 8.6119 8.6125 8.7252 8.7256 9.3803 9.3811 9.5095 9.5096 12.8682 12.8682 14.1120 14.1124 14.2104 14.2115 14.7939 14.7948 k = 0.5001 0.0164 0.0164 ( 2750 PWs) bands (ev): -45.9361 -45.9361 -22.6676 -22.6675 -22.0321 -22.0320 -21.9946 -21.9946 -14.2766 -14.2766 -6.7293 -6.7293 -5.7945 -5.7945 -5.5415 -5.5413 -0.7242 -0.7240 1.1691 1.1691 1.3248 1.3250 6.4268 6.4280 7.6373 7.6390 7.6524 7.6540 8.1807 8.1877 8.2493 8.2502 8.6281 8.6289 8.7482 8.7490 9.3716 9.3732 9.5050 9.5051 12.8746 12.8747 14.1118 14.1127 14.2093 14.2114 14.8035 14.8052 k = 0.5001 0.0253 0.0252 ( 2750 PWs) bands (ev): -45.9361 -45.9361 -22.6678 -22.6676 -22.0322 -22.0320 -21.9948 -21.9948 -14.2760 -14.2760 -6.7256 -6.7255 -5.7938 -5.7938 -5.5433 -5.5431 -0.7252 -0.7248 1.1684 1.1684 1.3217 1.3220 6.4251 6.4269 7.6364 7.6399 7.6502 7.6520 8.1409 8.1509 8.2307 8.2320 8.6527 8.6535 8.7823 8.7832 9.3575 9.3598 9.4976 9.4978 12.8853 12.8854 14.1117 14.1129 14.2080 14.2109 14.8197 14.8222 k = 0.5002 0.0342 0.0341 ( 2752 PWs) bands (ev): -45.9360 -45.9360 -22.6679 -22.6677 -22.0323 -22.0321 -21.9951 -21.9951 -14.2752 -14.2752 -6.7203 -6.7202 -5.7928 -5.7928 -5.5458 -5.5455 -0.7266 -0.7261 1.1673 1.1673 1.3175 1.3179 6.4229 6.4253 7.6337 7.6401 7.6486 7.6494 8.0919 8.1042 8.2096 8.2110 8.6838 8.6844 8.8235 8.8243 9.3381 9.3412 9.4874 9.4877 12.9000 12.9002 14.1117 14.1133 14.2064 14.2102 14.8422 14.8455 k = 0.5002 0.0431 0.0430 ( 2754 PWs) bands (ev): -45.9360 -45.9360 -22.6682 -22.6679 -22.0324 -22.0321 -21.9955 -21.9955 -14.2742 -14.2742 -6.7136 -6.7134 -5.7916 -5.7916 -5.5490 -5.5486 -0.7285 -0.7277 1.1657 1.1657 1.3124 1.3127 6.4201 6.4231 7.6279 7.6376 7.6482 7.6485 8.0371 8.0517 8.1874 8.1888 8.7196 8.7200 8.8688 8.8693 9.3135 9.3174 9.4749 9.4752 12.9188 12.9191 14.1118 14.1137 14.2048 14.2093 14.8710 14.8748 k = 0.5003 0.0520 0.0519 ( 2755 PWs) bands (ev): -45.9360 -45.9360 -22.6684 -22.6681 -22.0326 -22.0322 -21.9959 -21.9959 -14.2729 -14.2729 -6.7054 -6.7051 -5.7900 -5.7900 -5.5528 -5.5523 -0.7309 -0.7299 1.1633 1.1633 1.3065 1.3067 6.4170 6.4205 7.6188 7.6311 7.6490 7.6493 7.9793 7.9962 8.1648 8.1660 8.7590 8.7591 8.9161 8.9161 9.2841 9.2888 9.4602 9.4605 12.9415 12.9418 14.1121 14.1144 14.2034 14.2085 14.9056 14.9099 k = 0.5003 0.0609 0.0607 ( 2747 PWs) bands (ev): -45.9360 -45.9360 -22.6687 -22.6683 -22.0328 -22.0323 -21.9964 -21.9964 -14.2715 -14.2714 -6.6957 -6.6954 -5.7882 -5.7882 -5.5571 -5.5566 -0.7338 -0.7325 1.1599 1.1600 1.2999 1.2999 6.4134 6.4174 7.6063 7.6212 7.6505 7.6506 7.9210 7.9403 8.1424 8.1434 8.8010 8.8010 8.9633 8.9640 9.2501 9.2557 9.4437 9.4440 12.9678 12.9681 14.1128 14.1154 14.2021 14.2077 14.9458 14.9505 k = 0.5004 0.0698 0.0696 ( 2751 PWs) bands (ev): -45.9360 -45.9360 -22.6690 -22.6686 -22.0330 -22.0325 -21.9970 -21.9970 -14.2698 -14.2698 -6.6846 -6.6842 -5.7862 -5.7862 -5.5620 -5.5614 -0.7374 -0.7357 1.1553 1.1555 1.2926 1.2930 6.4095 6.4140 7.5897 7.6072 7.6518 7.6521 7.8642 7.8860 8.1207 8.1215 8.8449 8.8452 9.0098 9.0116 9.2120 9.2188 9.4259 9.4261 12.9975 12.9979 14.1139 14.1168 14.2013 14.2072 14.9912 14.9962 k = 0.5004 0.0787 0.0785 ( 2748 PWs) bands (ev): -45.9359 -45.9359 -22.6694 -22.6689 -22.0332 -22.0326 -21.9977 -21.9977 -14.2679 -14.2679 -6.6721 -6.6717 -5.7839 -5.7838 -5.5673 -5.5667 -0.7417 -0.7396 1.1491 1.1495 1.2850 1.2860 6.4053 6.4102 7.5680 7.5878 7.6527 7.6533 7.8114 7.8354 8.1000 8.1006 8.8903 8.8909 9.0537 9.0578 9.1706 9.1796 9.4071 9.4072 13.0305 13.0310 14.1155 14.1186 14.2009 14.2071 15.0415 15.0467 k = 0.5005 0.0876 0.0874 ( 2750 PWs) bands (ev): -45.9359 -45.9359 -22.6698 -22.6692 -22.0334 -22.0328 -21.9984 -21.9984 -14.2658 -14.2658 -6.6582 -6.6577 -5.7813 -5.7813 -5.5731 -5.5724 -0.7467 -0.7441 1.1410 1.1418 1.2773 1.2790 6.4010 6.4062 7.5400 7.5610 7.6529 7.6538 7.7654 7.7905 8.0806 8.0809 8.9368 8.9377 9.0858 9.0956 9.1329 9.1477 9.3880 9.3881 13.0664 13.0670 14.1178 14.1211 14.2011 14.2075 15.0964 15.1017 k = 0.5005 0.0965 0.0963 ( 2749 PWs) bands (ev): -45.9359 -45.9359 -22.6702 -22.6696 -22.0337 -22.0330 -21.9992 -21.9992 -14.2635 -14.2635 -6.6429 -6.6424 -5.7784 -5.7784 -5.5792 -5.5785 -0.7526 -0.7494 1.1309 1.1321 1.2695 1.2722 6.3965 6.4021 7.5052 7.5257 7.6521 7.6534 7.7281 7.7523 8.0626 8.0627 8.9834 8.9851 9.0676 9.0685 9.1557 9.1619 9.3690 9.3693 13.1051 13.1058 14.1206 14.1241 14.2019 14.2085 15.1555 15.1609 k = 0.5006 0.1054 0.1051 ( 2746 PWs) bands (ev): -45.9358 -45.9358 -22.6707 -22.6700 -22.0339 -22.0332 -22.0001 -22.0000 -14.2610 -14.2610 -6.6263 -6.6257 -5.7754 -5.7754 -5.5856 -5.5848 -0.7593 -0.7555 1.1187 1.1203 1.2618 1.2657 6.3919 6.3977 7.4643 7.4826 7.6499 7.6517 7.6993 7.7210 8.0459 8.0461 9.0122 9.0156 9.0352 9.0394 9.1976 9.1998 9.3510 9.3517 13.1463 13.1470 14.1243 14.1279 14.2035 14.2102 15.2185 15.2239 k = 0.5006 0.1143 0.1140 ( 2744 PWs) bands (ev): -45.9358 -45.9358 -22.6712 -22.6705 -22.0342 -22.0335 -22.0010 -22.0010 -14.2583 -14.2583 -6.6084 -6.6078 -5.7721 -5.7721 -5.5922 -5.5913 -0.7670 -0.7625 1.1042 1.1063 1.2541 1.2594 6.3873 6.3933 7.4191 7.4344 7.6460 7.6482 7.6770 7.6955 8.0306 8.0310 8.9625 8.9643 9.0812 9.0813 9.2393 9.2394 9.3350 9.3365 13.1897 13.1905 14.1287 14.1325 14.2060 14.2127 15.2850 15.2904 k = 0.5007 0.1232 0.1229 ( 2744 PWs) bands (ev): -45.9358 -45.9358 -22.6717 -22.6710 -22.0345 -22.0337 -22.0020 -22.0020 -14.2555 -14.2555 -6.5893 -6.5886 -5.7686 -5.7685 -5.5989 -5.5980 -0.7756 -0.7704 1.0875 1.0903 1.2462 1.2529 6.3828 6.3889 7.3715 7.3836 7.6397 7.6423 7.6595 7.6745 8.0167 8.0175 8.9057 8.9085 9.1266 9.1271 9.2766 9.2791 9.3229 9.3264 13.2351 13.2359 14.1341 14.1379 14.2093 14.2160 15.3547 15.3601 k = 0.5007 0.1321 0.1318 ( 2748 PWs) bands (ev): -45.9357 -45.9357 -22.6723 -22.6715 -22.0348 -22.0340 -22.0031 -22.0030 -14.2525 -14.2525 -6.5690 -6.5682 -5.7648 -5.7648 -5.6057 -5.6048 -0.7852 -0.7792 1.0689 1.0723 1.2378 1.2463 6.3784 6.3845 7.3235 7.3326 7.6302 7.6328 7.6458 7.6572 8.0042 8.0052 8.8471 8.8503 9.1685 9.1694 9.3018 9.3075 9.3268 9.3332 13.2822 13.2831 14.1403 14.1443 14.2135 14.2202 15.4273 15.4327 k = 0.5008 0.1411 0.1407 ( 2744 PWs) bands (ev): -45.9357 -45.9357 -22.6728 -22.6720 -22.0351 -22.0343 -22.0042 -22.0041 -14.2494 -14.2494 -6.5475 -6.5466 -5.7609 -5.7609 -5.6125 -5.6116 -0.7959 -0.7890 1.0485 1.0524 1.2289 1.2390 6.3742 6.3801 7.2765 7.2829 7.6174 7.6201 7.6344 7.6425 7.9929 7.9941 8.7873 8.7906 9.2019 9.2033 9.3132 9.3155 9.3608 9.3636 13.3308 13.3317 14.1476 14.1516 14.2188 14.2254 15.5025 15.5078 k = 0.5008 0.1500 0.1495 ( 2744 PWs) bands (ev): -45.9356 -45.9356 -22.6735 -22.6726 -22.0355 -22.0346 -22.0053 -22.0053 -14.2461 -14.2461 -6.5248 -6.5239 -5.7568 -5.7567 -5.6193 -5.6183 -0.8077 -0.7998 1.0265 1.0309 1.2189 1.2308 6.3702 6.3758 7.2316 7.2355 7.6020 7.6058 7.6227 7.6288 7.9826 7.9840 8.7267 8.7301 9.2213 9.2229 9.3356 9.3366 9.3973 9.3986 13.3806 13.3816 14.1558 14.1599 14.2251 14.2317 15.5799 15.5851 k = 0.5009 0.1589 0.1584 ( 2746 PWs) bands (ev): -45.9356 -45.9356 -22.6741 -22.6732 -22.0358 -22.0349 -22.0065 -22.0065 -14.2427 -14.2427 -6.5011 -6.5001 -5.7525 -5.7524 -5.6259 -5.6248 -0.8205 -0.8116 1.0030 1.0080 1.2077 1.2215 6.3664 6.3716 7.1896 7.1911 7.5849 7.5907 7.6094 7.6145 7.9731 7.9748 8.6660 8.6693 9.2294 9.2308 9.3710 9.3717 9.4331 9.4336 13.4314 13.4325 14.1651 14.1692 14.2325 14.2390 15.6592 15.6643 k = 0.5009 0.1678 0.1673 ( 2748 PWs) bands (ev): -45.9355 -45.9355 -22.6748 -22.6739 -22.0362 -22.0352 -22.0078 -22.0077 -14.2392 -14.2392 -6.4765 -6.4753 -5.7481 -5.7480 -5.6323 -5.6312 -0.8344 -0.8245 0.9782 0.9837 1.1951 1.2108 6.3628 6.3676 7.1505 7.1513 7.5665 7.5748 7.5940 7.5987 7.9643 7.9661 8.6056 8.6087 9.2336 9.2347 9.4130 9.4138 9.4679 9.4679 13.4830 13.4841 14.1754 14.1795 14.2410 14.2474 15.7401 15.7451 k = 0.5010 0.1767 0.1762 ( 2746 PWs) bands (ev): -45.9355 -45.9355 -22.6754 -22.6745 -22.0366 -22.0356 -22.0091 -22.0090 -14.2356 -14.2356 -6.4508 -6.4496 -5.7434 -5.7433 -5.6384 -5.6373 -0.8494 -0.8383 0.9523 0.9583 1.1808 1.1984 6.3594 6.3635 7.1139 7.1171 7.5468 7.5578 7.5763 7.5810 7.9560 7.9579 8.5463 8.5491 9.2382 9.2391 9.4573 9.4582 9.5016 9.5019 13.5351 13.5363 14.1867 14.1908 14.2506 14.2569 15.8222 15.8272 k = 0.5010 0.1856 0.1850 ( 2746 PWs) bands (ev): -45.9354 -45.9354 -22.6761 -22.6752 -22.0369 -22.0359 -22.0104 -22.0103 -14.2319 -14.2319 -6.4243 -6.4230 -5.7387 -5.7386 -5.6442 -5.6430 -0.8654 -0.8532 0.9254 0.9319 1.1646 1.1841 6.3561 6.3596 7.0818 7.0874 7.5258 7.5396 7.5564 7.5611 7.9480 7.9500 8.4884 8.4910 9.2452 9.2460 9.5016 9.5028 9.5351 9.5355 13.5876 13.5888 14.1990 14.2031 14.2614 14.2676 15.9053 15.9102 k = 0.5011 0.1945 0.1939 ( 2740 PWs) bands (ev): -45.9354 -45.9354 -22.6768 -22.6759 -22.0373 -22.0362 -22.0117 -22.0116 -14.2281 -14.2281 -6.3969 -6.3955 -5.7339 -5.7337 -5.6496 -5.6484 -0.8824 -0.8691 0.8977 0.9046 1.1463 1.1678 6.3530 6.3557 7.0544 7.0626 7.5033 7.5199 7.5345 7.5390 7.9402 7.9424 8.4328 8.4350 9.2554 9.2560 9.5440 9.5457 9.5694 9.5698 13.6401 13.6414 14.2124 14.2164 14.2734 14.2794 15.9891 15.9938 k = 0.5011 0.2034 0.2028 ( 2742 PWs) bands (ev): -45.9353 -45.9353 -22.6776 -22.6766 -22.0377 -22.0366 -22.0131 -22.0130 -14.2242 -14.2242 -6.3688 -6.3673 -5.7289 -5.7287 -5.6546 -5.6534 -0.9004 -0.8859 0.8693 0.8765 1.1260 1.1494 6.3498 6.3517 7.0319 7.0428 7.4791 7.4982 7.5106 7.5146 7.9326 7.9348 8.3799 8.3818 9.2691 9.2696 9.5821 9.5842 9.6068 9.6070 13.6927 13.6940 14.2267 14.2307 14.2864 14.2923 16.0731 16.0777 k = 0.5012 0.2123 0.2117 ( 2742 PWs) bands (ev): -45.9353 -45.9353 -22.6783 -22.6773 -22.0381 -22.0370 -22.0145 -22.0144 -14.2203 -14.2203 -6.3400 -6.3384 -5.7239 -5.7236 -5.6591 -5.6578 -0.9193 -0.9037 0.8403 0.8479 1.1034 1.1287 6.3466 6.3476 7.0143 7.0282 7.4532 7.4740 7.4855 7.4879 7.9250 7.9273 8.3305 8.3321 9.2865 9.2868 9.6153 9.6177 9.6473 9.6476 13.7450 13.7464 14.2419 14.2459 14.3006 14.3063 16.1571 16.1617 k = 0.5012 0.2212 0.2206 ( 2736 PWs) bands (ev): -45.9352 -45.9352 -22.6790 -22.6780 -22.0384 -22.0373 -22.0158 -22.0157 -14.2164 -14.2163 -6.3106 -6.3089 -5.7188 -5.7185 -5.6630 -5.6617 -0.9391 -0.9223 0.8109 0.8188 1.0786 1.1058 6.3433 6.3434 7.0016 7.0187 7.4255 7.4470 7.4592 7.4595 7.9174 7.9197 8.2850 8.2863 9.3075 9.3077 9.6457 9.6482 9.6889 9.6893 13.7969 13.7983 14.2581 14.2620 14.3159 14.3215 16.2408 16.2452 k = 0.5013 0.2301 0.2294 ( 2737 PWs) bands (ev): -45.9352 -45.9352 -22.6798 -22.6788 -22.0388 -22.0377 -22.0173 -22.0172 -14.2124 -14.2124 -6.2807 -6.2789 -5.7137 -5.7133 -5.6664 -5.6650 -0.9597 -0.9417 0.7811 0.7893 1.0516 1.0806 6.3389 6.3396 6.9934 7.0141 7.3961 7.4171 7.4286 7.4329 7.9098 7.9121 8.2440 8.2451 9.3319 9.3320 9.6747 9.6773 9.7301 9.7307 13.8483 13.8497 14.2751 14.2789 14.3323 14.3376 16.3238 16.3281 k = 0.5013 0.2390 0.2383 ( 2738 PWs) bands (ev): -45.9351 -45.9351 -22.6805 -22.6795 -22.0392 -22.0381 -22.0187 -22.0186 -14.2084 -14.2084 -6.2503 -6.2484 -5.7087 -5.7082 -5.6692 -5.6677 -0.9810 -0.9620 0.7510 0.7595 1.0225 1.0531 6.3342 6.3356 6.9895 7.0141 7.3650 7.3851 7.3963 7.4054 7.9022 7.9043 8.2078 8.2088 9.3595 9.3596 9.7026 9.7053 9.7704 9.7711 13.8989 13.9004 14.2930 14.2967 14.3496 14.3547 16.4056 16.4098 k = 0.5014 0.2479 0.2472 ( 2735 PWs) bands (ev): -45.9351 -45.9351 -22.6813 -22.6803 -22.0396 -22.0385 -22.0201 -22.0200 -14.2044 -14.2043 -6.2196 -6.2176 -5.7037 -5.7031 -5.6712 -5.6696 -1.0031 -0.9829 0.7208 0.7295 0.9913 1.0235 6.3291 6.3311 6.9891 7.0181 7.3327 7.3513 7.3629 7.3776 7.8947 7.8965 8.1767 8.1775 9.3901 9.3902 9.7299 9.7327 9.8094 9.8102 13.9487 13.9502 14.3116 14.3152 14.3678 14.3727 16.4860 16.4901 k = 0.5014 0.2568 0.2561 ( 2737 PWs) bands (ev): -45.9350 -45.9350 -22.6821 -22.6810 -22.0400 -22.0389 -22.0215 -22.0214 -14.2004 -14.2003 -6.1885 -6.1864 -5.6989 -5.6981 -5.6726 -5.6708 -1.0257 -1.0045 0.6907 0.6996 0.9582 0.9919 6.3236 6.3261 6.9912 7.0249 7.2998 7.3162 7.3291 7.3502 7.8874 7.8886 8.1504 8.1513 9.4233 9.4235 9.7566 9.7595 9.8471 9.8480 13.9976 13.9990 14.3309 14.3344 14.3868 14.3916 16.5645 16.5685 k = 0.5015 0.2657 0.2650 ( 2736 PWs) bands (ev): -45.9349 -45.9349 -22.6828 -22.6818 -22.0404 -22.0393 -22.0229 -22.0228 -14.1964 -14.1964 -6.1573 -6.1551 -5.6943 -5.6933 -5.6731 -5.6711 -1.0489 -1.0266 0.6606 0.6696 0.9233 0.9584 6.3176 6.3204 6.9942 7.0328 7.2668 7.2802 7.2963 7.3247 7.8805 7.8810 8.1290 8.1299 9.4590 9.4593 9.7829 9.7858 9.8833 9.8843 14.0453 14.0467 14.3508 14.3542 14.4066 14.4112 16.6407 16.6444 k = 0.5015 0.2746 0.2738 ( 2734 PWs) bands (ev): -45.9349 -45.9349 -22.6836 -22.6825 -22.0408 -22.0397 -22.0243 -22.0242 -14.1924 -14.1924 -6.1260 -6.1237 -5.6902 -5.6889 -5.6726 -5.6704 -1.0725 -1.0493 0.6307 0.6398 0.8869 0.9232 6.3110 6.3140 6.9961 7.0388 7.2341 7.2436 7.2677 7.3033 7.8736 7.8743 8.1119 8.1129 9.4968 9.4972 9.8088 9.8118 9.9180 9.9190 14.0918 14.0932 14.3714 14.3746 14.4271 14.4314 16.7139 16.7175 k = 0.5016 0.2835 0.2827 ( 2740 PWs) bands (ev): -45.9348 -45.9348 -22.6843 -22.6833 -22.0412 -22.0401 -22.0257 -22.0256 -14.1885 -14.1885 -6.0947 -6.0923 -5.6866 -5.6851 -5.6709 -5.6686 -1.0964 -1.0724 0.6010 0.6103 0.8492 0.8865 6.3038 6.3068 6.9942 7.0384 7.2008 7.2066 7.2487 7.2884 7.8670 7.8690 8.0987 8.0997 9.5364 9.5369 9.8344 9.8374 9.9511 9.9522 14.1369 14.1383 14.3924 14.3956 14.4481 14.4521 16.7837 16.7872 k = 0.5016 0.2924 0.2916 ( 2742 PWs) bands (ev): -45.9348 -45.9348 -22.6851 -22.6841 -22.0416 -22.0405 -22.0271 -22.0270 -14.1847 -14.1847 -6.0635 -6.0611 -5.6834 -5.6820 -5.6681 -5.6658 -1.1206 -1.0958 0.5718 0.5811 0.8104 0.8485 6.2957 6.2987 6.9863 7.0277 7.1662 7.1696 7.2444 7.2824 7.8612 7.8650 8.0889 8.0899 9.5775 9.5780 9.8598 9.8628 9.9826 9.9837 14.1806 14.1820 14.4140 14.4169 14.4695 14.4733 16.8494 16.8527 k = 0.5017 0.3013 0.3005 ( 2742 PWs) bands (ev): -45.9347 -45.9347 -22.6858 -22.6848 -22.0419 -22.0409 -22.0285 -22.0283 -14.1809 -14.1809 -6.0325 -6.0300 -5.6806 -5.6792 -5.6643 -5.6622 -1.1450 -1.1195 0.5431 0.5524 0.7707 0.8096 6.2868 6.2896 6.9714 7.0066 7.1307 7.1328 7.2549 7.2863 7.8566 7.8625 8.0819 8.0829 9.6198 9.6204 9.8850 9.8880 10.0124 10.0136 14.2228 14.2241 14.4360 14.4387 14.4912 14.4948 16.9104 16.9135 k = 0.5017 0.3102 0.3094 ( 2742 PWs) bands (ev): -45.9347 -45.9347 -22.6865 -22.6856 -22.0423 -22.0413 -22.0298 -22.0296 -14.1772 -14.1772 -6.0017 -5.9993 -5.6778 -5.6765 -5.6600 -5.6581 -1.1694 -1.1433 0.5149 0.5242 0.7306 0.7699 6.2768 6.2794 6.9504 6.9784 7.0949 7.0964 7.2763 7.2995 7.8535 7.8616 8.0772 8.0782 9.6630 9.6637 9.9100 9.9130 10.0407 10.0419 14.2633 14.2645 14.4583 14.4609 14.5130 14.5165 16.9658 16.9688 k = 0.5018 0.3191 0.3182 ( 2744 PWs) bands (ev): -45.9346 -45.9346 -22.6872 -22.6863 -22.0426 -22.0417 -22.0311 -22.0309 -14.1736 -14.1736 -5.9714 -5.9690 -5.6749 -5.6737 -5.6554 -5.6537 -1.1937 -1.1672 0.4875 0.4966 0.6901 0.7297 6.2657 6.2680 6.9251 6.9468 7.0594 7.0605 7.3046 7.3197 7.8519 7.8626 8.0744 8.0754 9.7068 9.7076 9.9349 9.9378 10.0673 10.0686 14.3020 14.3031 14.4809 14.4833 14.5350 14.5382 17.0150 17.0177 k = 0.5018 0.3280 0.3271 ( 2740 PWs) bands (ev): -45.9346 -45.9346 -22.6879 -22.6870 -22.0430 -22.0421 -22.0323 -22.0321 -14.1702 -14.1702 -5.9417 -5.9392 -5.6718 -5.6706 -5.6508 -5.6491 -1.2179 -1.1911 0.4607 0.4698 0.6497 0.6893 6.2533 6.2554 6.8975 6.9141 7.0245 7.0253 7.3370 7.3450 7.8522 7.8657 8.0732 8.0741 9.7509 9.7518 9.9597 9.9625 10.0923 10.0937 14.3388 14.3398 14.5038 14.5060 14.5568 14.5598 17.0570 17.0596 k = 0.5019 0.3369 0.3360 ( 2744 PWs) bands (ev): -45.9345 -45.9345 -22.6885 -22.6877 -22.0433 -22.0425 -22.0335 -22.0333 -14.1668 -14.1668 -5.9125 -5.9101 -5.6685 -5.6672 -5.6461 -5.6445 -1.2418 -1.2148 0.4349 0.4437 0.6095 0.6490 6.2397 6.2414 6.8694 6.8820 6.9903 6.9909 7.3717 7.3733 7.8545 7.8709 8.0733 8.0741 9.7950 9.7961 9.9843 9.9871 10.1158 10.1173 14.3738 14.3746 14.5269 14.5288 14.5785 14.5812 17.0914 17.0937 k = 0.5019 0.3458 0.3449 ( 2744 PWs) bands (ev): -45.9345 -45.9345 -22.6892 -22.6883 -22.0436 -22.0428 -22.0347 -22.0345 -14.1635 -14.1635 -5.8841 -5.8818 -5.6649 -5.6635 -5.6414 -5.6399 -1.2653 -1.2383 0.4099 0.4185 0.5700 0.6090 6.2247 6.2261 6.8418 6.8514 6.9571 6.9576 7.4031 7.4071 7.8591 7.8783 8.0743 8.0752 9.8388 9.8400 10.0089 10.0115 10.1377 10.1393 14.4067 14.4073 14.5500 14.5518 14.5998 14.6023 17.1175 17.1197 k = 0.5020 0.3547 0.3537 ( 2744 PWs) bands (ev): -45.9344 -45.9344 -22.6898 -22.6890 -22.0439 -22.0432 -22.0358 -22.0355 -14.1604 -14.1604 -5.8565 -5.8543 -5.6610 -5.6595 -5.6369 -5.6354 -1.2883 -1.2615 0.3860 0.3943 0.5312 0.5697 6.2085 6.2096 6.8156 6.8229 6.9250 6.9255 7.4332 7.4420 7.8662 7.8882 8.0762 8.0770 9.8821 9.8834 10.0332 10.0358 10.1581 10.1598 14.4375 14.4379 14.5732 14.5747 14.6206 14.6230 17.1353 17.1373 k = 0.5020 0.3636 0.3626 ( 2741 PWs) bands (ev): -45.9344 -45.9344 -22.6903 -22.6896 -22.0442 -22.0436 -22.0368 -22.0366 -14.1574 -14.1574 -5.8299 -5.8279 -5.6570 -5.6553 -5.6325 -5.6310 -1.3106 -1.2842 0.3631 0.3712 0.4936 0.5312 6.1911 6.1920 6.7914 6.7968 6.8943 6.8947 7.4626 7.4756 7.8760 7.9004 8.0786 8.0795 9.9245 9.9260 10.0574 10.0598 10.1770 10.1788 14.4662 14.4664 14.5963 14.5975 14.6408 14.6430 17.1449 17.1469 k = 0.5021 0.3725 0.3715 ( 2741 PWs) bands (ev): -45.9343 -45.9343 -22.6909 -22.6901 -22.0445 -22.0439 -22.0378 -22.0375 -14.1546 -14.1546 -5.8044 -5.8026 -5.6529 -5.6509 -5.6282 -5.6268 -1.3323 -1.3063 0.3414 0.3491 0.4573 0.4938 6.1728 6.1735 6.7693 6.7734 6.8649 6.8653 7.4904 7.5068 7.8886 7.9151 8.0816 8.0824 9.9658 9.9675 10.0813 10.0835 10.1945 10.1964 14.4928 14.4929 14.6190 14.6201 14.6604 14.6624 17.1471 17.1491 k = 0.5021 0.3814 0.3804 ( 2743 PWs) bands (ev): -45.9343 -45.9343 -22.6914 -22.6907 -22.0448 -22.0443 -22.0387 -22.0384 -14.1519 -14.1519 -5.7800 -5.7785 -5.6486 -5.6464 -5.6241 -5.6227 -1.3530 -1.3278 0.3209 0.3282 0.4226 0.4578 6.1538 6.1543 6.7495 6.7526 6.8371 6.8375 7.5161 7.5350 7.9041 7.9318 8.0848 8.0858 10.0057 10.0075 10.1048 10.1068 10.2106 10.2126 14.5172 14.5174 14.6413 14.6422 14.6791 14.6810 17.1426 17.1449 k = 0.5022 0.3903 0.3893 ( 2744 PWs) bands (ev): -45.9343 -45.9343 -22.6919 -22.6912 -22.0451 -22.0446 -22.0396 -22.0393 -14.1494 -14.1494 -5.7569 -5.7558 -5.6443 -5.6418 -5.6202 -5.6187 -1.3727 -1.3484 0.3016 0.3085 0.3897 0.4233 6.1344 6.1347 6.7321 6.7343 6.8110 6.8113 7.5393 7.5598 7.9222 7.9505 8.0883 8.0894 10.0439 10.0460 10.1278 10.1297 10.2253 10.2274 14.5396 14.5399 14.6630 14.6636 14.6970 14.6986 17.1328 17.1354 k = 0.5022 0.3993 0.3981 ( 2744 PWs) bands (ev): -45.9342 -45.9342 -22.6923 -22.6917 -22.0453 -22.0450 -22.0404 -22.0400 -14.1471 -14.1471 -5.7353 -5.7346 -5.6401 -5.6371 -5.6165 -5.6150 -1.3913 -1.3681 0.2837 0.2902 0.3588 0.3906 6.1150 6.1152 6.7169 6.7185 6.7866 6.7868 7.5599 7.5811 7.9426 7.9705 8.0919 8.0931 10.0802 10.0825 10.1501 10.1519 10.2387 10.2410 14.5601 14.5605 14.6837 14.6842 14.7138 14.7152 17.1189 17.1220 k = 0.5023 0.4082 0.4070 ( 2744 PWs) bands (ev): -45.9342 -45.9342 -22.6927 -22.6922 -22.0456 -22.0453 -22.0411 -22.0407 -14.1449 -14.1449 -5.7151 -5.7150 -5.6359 -5.6325 -5.6129 -5.6115 -1.4087 -1.3867 0.2672 0.2731 0.3301 0.3599 6.0959 6.0960 6.7037 6.7049 6.7640 6.7642 7.5779 7.5990 7.9645 7.9912 8.0955 8.0970 10.1142 10.1168 10.1716 10.1733 10.2508 10.2533 14.5787 14.5791 14.7034 14.7037 14.7295 14.7308 17.1020 17.1058 k = 0.5023 0.4171 0.4159 ( 2742 PWs) bands (ev): -45.9342 -45.9342 -22.6931 -22.6926 -22.0459 -22.0456 -22.0417 -22.0413 -14.1429 -14.1429 -5.6971 -5.6967 -5.6318 -5.6279 -5.6096 -5.6082 -1.4247 -1.4042 0.2522 0.2575 0.3038 0.3314 6.0774 6.0775 6.6925 6.6933 6.7433 6.7435 7.5935 7.6137 7.9874 8.0121 8.0991 8.1010 10.1458 10.1487 10.1921 10.1937 10.2618 10.2644 14.5954 14.5960 14.7218 14.7220 14.7440 14.7451 17.0832 17.0878 k = 0.5024 0.4260 0.4248 ( 2744 PWs) bands (ev): -45.9342 -45.9342 -22.6935 -22.6930 -22.0461 -22.0459 -22.0422 -22.0419 -14.1411 -14.1411 -5.6811 -5.6800 -5.6278 -5.6234 -5.6065 -5.6051 -1.4392 -1.4204 0.2386 0.2433 0.2800 0.3051 6.0599 6.0600 6.6830 6.6835 6.7245 6.7247 7.6068 7.6256 8.0102 8.0323 8.1026 8.1050 10.1746 10.1778 10.2114 10.2129 10.2715 10.2744 14.6104 14.6110 14.7388 14.7389 14.7573 14.7582 17.0637 17.0688 k = 0.5024 0.4349 0.4337 ( 2752 PWs) bands (ev): -45.9341 -45.9341 -22.6938 -22.6934 -22.0464 -22.0463 -22.0427 -22.0424 -14.1396 -14.1396 -5.6672 -5.6653 -5.6239 -5.6190 -5.6037 -5.6023 -1.4522 -1.4351 0.2265 0.2306 0.2589 0.2813 6.0438 6.0438 6.6750 6.6753 6.7078 6.7080 7.6181 7.6351 8.0322 8.0511 8.1060 8.1091 10.2003 10.2040 10.2293 10.2309 10.2801 10.2832 14.6236 14.6242 14.7541 14.7541 14.7693 14.7700 17.0443 17.0495 k = 0.5025 0.4438 0.4425 ( 2752 PWs) bands (ev): -45.9341 -45.9341 -22.6941 -22.6937 -22.0466 -22.0465 -22.0431 -22.0428 -14.1382 -14.1382 -5.6554 -5.6527 -5.6200 -5.6146 -5.6010 -5.5998 -1.4635 -1.4484 0.2159 0.2194 0.2405 0.2601 6.0291 6.0292 6.6684 6.6686 6.6932 6.6933 7.6276 7.6426 8.0527 8.0678 8.1094 8.1135 10.2228 10.2269 10.2456 10.2473 10.2877 10.2910 14.6352 14.6357 14.7676 14.7676 14.7799 14.7805 17.0257 17.0301 k = 0.5025 0.4527 0.4514 ( 2758 PWs) bands (ev): -45.9341 -45.9341 -22.6943 -22.6940 -22.0469 -22.0468 -22.0435 -22.0431 -14.1370 -14.1370 -5.6458 -5.6426 -5.6160 -5.6105 -5.5986 -5.5975 -1.4731 -1.4601 0.2070 0.2097 0.2250 0.2417 6.0163 6.0163 6.6630 6.6631 6.6807 6.6808 7.6355 7.6483 8.0707 8.0817 8.1128 8.1182 10.2417 10.2462 10.2604 10.2620 10.2942 10.2977 14.6450 14.6455 14.7791 14.7792 14.7891 14.7895 17.0088 17.0114 k = 0.5026 0.4616 0.4603 ( 2776 PWs) bands (ev): -45.9341 -45.9341 -22.6945 -22.6943 -22.0471 -22.0471 -22.0438 -22.0435 -14.1360 -14.1360 -5.6383 -5.6351 -5.6119 -5.6066 -5.5964 -5.5956 -1.4808 -1.4700 0.1996 0.2016 0.2125 0.2260 6.0055 6.0055 6.6587 6.6588 6.6704 6.6705 7.6420 7.6525 8.0855 8.0921 8.1166 8.1235 10.2570 10.2614 10.2734 10.2747 10.2999 10.3035 14.6531 14.6535 14.7886 14.7888 14.7970 14.7972 16.9940 16.9948 k = 0.5026 0.4705 0.4692 ( 2790 PWs) bands (ev): -45.9341 -45.9341 -22.6947 -22.6945 -22.0473 -22.0473 -22.0440 -22.0438 -14.1352 -14.1352 -5.6329 -5.6300 -5.6077 -5.6034 -5.5945 -5.5939 -1.4867 -1.4782 0.1939 0.1951 0.2031 0.2133 5.9969 5.9969 6.6554 6.6555 6.6622 6.6623 7.6472 7.6554 8.0963 8.0992 8.1212 8.1287 10.2687 10.2726 10.2843 10.2851 10.3048 10.3082 14.6594 14.6598 14.7959 14.7961 14.8034 14.8035 16.9816 16.9820 k = 0.5027 0.4794 0.4780 ( 2800 PWs) bands (ev): -45.9341 -45.9341 -22.6949 -22.6947 -22.0475 -22.0475 -22.0441 -22.0440 -14.1347 -14.1347 -5.6291 -5.6269 -5.6042 -5.6011 -5.5928 -5.5926 -1.4907 -1.4846 0.1898 0.1903 0.1966 0.2036 5.9905 5.9905 6.6531 6.6531 6.6563 6.6564 7.6513 7.6571 8.1029 8.1037 8.1264 8.1330 10.2770 10.2800 10.2925 10.2929 10.3090 10.3118 14.6641 14.6643 14.8012 14.8014 14.8082 14.8082 16.9724 16.9757 k = 0.5027 0.4883 0.4869 ( 2800 PWs) bands (ev): -45.9341 -45.9341 -22.6949 -22.6948 -22.0476 -22.0476 -22.0442 -22.0441 -14.1343 -14.1343 -5.6267 -5.6254 -5.6016 -5.5999 -5.5916 -5.5916 -1.4927 -1.4890 0.1872 0.1873 0.1930 0.1969 5.9865 5.9865 6.6515 6.6515 6.6528 6.6528 7.6542 7.6577 8.1062 8.1063 8.1311 8.1354 10.2823 10.2842 10.2976 10.2977 10.3122 10.3141 14.6670 14.6672 14.8044 14.8045 14.8113 14.8113 16.9669 16.9674 k = 0.5028 0.4972 0.4958 ( 2800 PWs) bands (ev): -45.9341 -45.9341 -22.6949 -22.6949 -22.0476 -22.0476 -22.0442 -22.0442 -14.1342 -14.1342 -5.6256 -5.6251 -5.6003 -5.5997 -5.5911 -5.5911 -1.4927 -1.4915 0.1862 0.1862 0.1923 0.1935 5.9849 5.9850 6.6506 6.6506 6.6516 6.6516 7.6561 7.6572 8.1075 8.1075 8.1339 8.1354 10.2847 10.2853 10.2995 10.2995 10.3141 10.3147 14.6683 14.6683 14.8057 14.8057 14.8125 14.8125 16.9649 16.9650 Writing output data file BaTiO3.save init_run : 4.65s CPU 12.59s WALL ( 1 calls) electrons : 649.58s CPU 657.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.79s CPU 1.99s WALL ( 1 calls) Called by electrons: c_bands : 649.56s CPU 656.98s WALL ( 1 calls) v_of_rho : 0.09s CPU 0.97s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.07s CPU 0.61s WALL ( 1 calls) newd : 0.30s CPU 0.57s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.09s WALL ( 328 calls) cegterg : 627.34s CPU 632.06s WALL ( 1139 calls) Called by sum_band: Called by *egterg: h_psi : 211.29s CPU 222.35s WALL ( 21472 calls) s_psi : 24.96s CPU 25.58s WALL ( 21472 calls) g_psi : 0.53s CPU 0.57s WALL ( 20005 calls) cdiaghg : 297.33s CPU 292.00s WALL ( 20333 calls) cegterg:over : 48.84s CPU 46.21s WALL ( 20005 calls) cegterg:upda : 6.48s CPU 10.56s WALL ( 20005 calls) cegterg:last : 6.26s CPU 7.24s WALL ( 2499 calls) Called by h_psi: h_psi:vloc : 162.16s CPU 171.66s WALL ( 21472 calls) h_psi:vnl : 48.87s CPU 50.09s WALL ( 21472 calls) add_vuspsi : 15.44s CPU 18.89s WALL ( 21472 calls) General routines calbec : 33.36s CPU 31.03s WALL ( 21472 calls) fft : 0.45s CPU 1.36s WALL ( 19 calls) ffts : 0.53s CPU 0.56s WALL ( 4 calls) fftw : 151.01s CPU 156.57s WALL ( 1393268 calls) interpolate : 0.56s CPU 0.59s WALL ( 4 calls) davcio : 0.05s CPU 1.53s WALL ( 656 calls) Parallel routines fft_scatter : 108.24s CPU 112.12s WALL ( 1393291 calls) PWSCF : 11m37.06s CPU 12m52.12s WALL This run was terminated on: 14:20:14 11Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=