Program PWSCF v.5.1.1 starts on 9Oct2015 at 18: 7:24 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaTiO3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 54 19 6 2104 451 76 Max 55 20 7 2109 470 80 Sum 2617 949 293 101079 22011 3743 bravais-lattice index = 14 lattice parameter (alat) = 7.5665 a.u. unit-cell volume = 433.1870 (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)= 7.566463 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.002269 celldm(5)= 0.002269 celldm(6)= 0.002269 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.002269 0.999997 0.000000 ) a(3) = ( 0.002269 0.002264 0.999995 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.002269 -0.002264 ) b(2) = ( 0.000000 1.000003 -0.002264 ) b(3) = ( 0.000000 0.000000 1.000005 ) 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 -0.0000284 -0.0000283), wk = 0.0030488 k( 3) = ( 0.0250000 -0.0000567 -0.0000566), wk = 0.0030488 k( 4) = ( 0.0375000 -0.0000851 -0.0000849), wk = 0.0030488 k( 5) = ( 0.0500000 -0.0001134 -0.0001132), wk = 0.0030488 k( 6) = ( 0.0625000 -0.0001418 -0.0001415), wk = 0.0030488 k( 7) = ( 0.0750000 -0.0001702 -0.0001698), wk = 0.0030488 k( 8) = ( 0.0875000 -0.0001985 -0.0001981), wk = 0.0030488 k( 9) = ( 0.1000000 -0.0002269 -0.0002264), wk = 0.0030488 k( 10) = ( 0.1125000 -0.0002553 -0.0002547), wk = 0.0030488 k( 11) = ( 0.1250000 -0.0002836 -0.0002830), wk = 0.0030488 k( 12) = ( 0.1375000 -0.0003120 -0.0003113), wk = 0.0030488 k( 13) = ( 0.1500000 -0.0003403 -0.0003396), wk = 0.0030488 k( 14) = ( 0.1625000 -0.0003687 -0.0003679), wk = 0.0030488 k( 15) = ( 0.1750000 -0.0003971 -0.0003962), wk = 0.0030488 k( 16) = ( 0.1875000 -0.0004254 -0.0004245), wk = 0.0030488 k( 17) = ( 0.2000000 -0.0004538 -0.0004528), wk = 0.0030488 k( 18) = ( 0.2125000 -0.0004821 -0.0004811), wk = 0.0030488 k( 19) = ( 0.2250000 -0.0005105 -0.0005094), wk = 0.0030488 k( 20) = ( 0.2375000 -0.0005389 -0.0005377), wk = 0.0030488 k( 21) = ( 0.2500000 -0.0005672 -0.0005660), wk = 0.0030488 k( 22) = ( 0.2625000 -0.0005956 -0.0005942), wk = 0.0030488 k( 23) = ( 0.2750000 -0.0006240 -0.0006225), wk = 0.0030488 k( 24) = ( 0.2875000 -0.0006523 -0.0006508), wk = 0.0030488 k( 25) = ( 0.3000000 -0.0006807 -0.0006791), wk = 0.0030488 k( 26) = ( 0.3125000 -0.0007090 -0.0007074), wk = 0.0030488 k( 27) = ( 0.3250000 -0.0007374 -0.0007357), wk = 0.0030488 k( 28) = ( 0.3375000 -0.0007658 -0.0007640), wk = 0.0030488 k( 29) = ( 0.3500000 -0.0007941 -0.0007923), wk = 0.0030488 k( 30) = ( 0.3625000 -0.0008225 -0.0008206), wk = 0.0030488 k( 31) = ( 0.3750000 -0.0008508 -0.0008489), wk = 0.0030488 k( 32) = ( 0.3875000 -0.0008792 -0.0008772), wk = 0.0030488 k( 33) = ( 0.4000000 -0.0009076 -0.0009055), wk = 0.0030488 k( 34) = ( 0.4125000 -0.0009359 -0.0009338), wk = 0.0030488 k( 35) = ( 0.4250000 -0.0009643 -0.0009621), wk = 0.0030488 k( 36) = ( 0.4375000 -0.0009927 -0.0009904), wk = 0.0030488 k( 37) = ( 0.4500000 -0.0010210 -0.0010187), wk = 0.0030488 k( 38) = ( 0.4625000 -0.0010494 -0.0010470), wk = 0.0030488 k( 39) = ( 0.4750000 -0.0010777 -0.0010753), wk = 0.0030488 k( 40) = ( 0.4875000 -0.0011061 -0.0011036), wk = 0.0030488 k( 41) = ( 0.5000000 -0.0011345 -0.0011319), wk = 0.0030488 k( 42) = ( 0.5000000 -0.0011345 -0.0011319), wk = 0.0030488 k( 43) = ( 0.5000000 0.0077538 -0.0100403), wk = 0.0030488 k( 44) = ( 0.5000000 0.0166421 -0.0189487), wk = 0.0030488 k( 45) = ( 0.5000000 0.0255303 -0.0278571), wk = 0.0030488 k( 46) = ( 0.5000000 0.0344186 -0.0367655), wk = 0.0030488 k( 47) = ( 0.5000000 0.0433068 -0.0456739), wk = 0.0030488 k( 48) = ( 0.5000000 0.0521951 -0.0545823), wk = 0.0030488 k( 49) = ( 0.5000000 0.0610834 -0.0634907), wk = 0.0030488 k( 50) = ( 0.5000000 0.0699716 -0.0723991), wk = 0.0030488 k( 51) = ( 0.5000000 0.0788599 -0.0813075), wk = 0.0030488 k( 52) = ( 0.5000000 0.0877481 -0.0902159), wk = 0.0030488 k( 53) = ( 0.5000000 0.0966364 -0.0991244), wk = 0.0030488 k( 54) = ( 0.5000000 0.1055247 -0.1080328), wk = 0.0030488 k( 55) = ( 0.5000000 0.1144129 -0.1169412), wk = 0.0030488 k( 56) = ( 0.5000000 0.1233012 -0.1258496), wk = 0.0030488 k( 57) = ( 0.5000000 0.1321894 -0.1347580), wk = 0.0030488 k( 58) = ( 0.5000000 0.1410777 -0.1436664), wk = 0.0030488 k( 59) = ( 0.5000000 0.1499660 -0.1525748), wk = 0.0030488 k( 60) = ( 0.5000000 0.1588542 -0.1614832), wk = 0.0030488 k( 61) = ( 0.5000000 0.1677425 -0.1703916), wk = 0.0030488 k( 62) = ( 0.5000000 0.1766308 -0.1793000), wk = 0.0030488 k( 63) = ( 0.5000000 0.1855190 -0.1882084), wk = 0.0030488 k( 64) = ( 0.5000000 0.1944073 -0.1971168), wk = 0.0030488 k( 65) = ( 0.5000000 0.2032955 -0.2060252), wk = 0.0030488 k( 66) = ( 0.5000000 0.2121838 -0.2149336), wk = 0.0030488 k( 67) = ( 0.5000000 0.2210721 -0.2238420), wk = 0.0030488 k( 68) = ( 0.5000000 0.2299603 -0.2327504), wk = 0.0030488 k( 69) = ( 0.5000000 0.2388486 -0.2416588), wk = 0.0030488 k( 70) = ( 0.5000000 0.2477368 -0.2505672), wk = 0.0030488 k( 71) = ( 0.5000000 0.2566251 -0.2594756), wk = 0.0030488 k( 72) = ( 0.5000000 0.2655134 -0.2683840), wk = 0.0030488 k( 73) = ( 0.5000000 0.2744016 -0.2772925), wk = 0.0030488 k( 74) = ( 0.5000000 0.2832899 -0.2862009), wk = 0.0030488 k( 75) = ( 0.5000000 0.2921781 -0.2951093), wk = 0.0030488 k( 76) = ( 0.5000000 0.3010664 -0.3040177), wk = 0.0030488 k( 77) = ( 0.5000000 0.3099547 -0.3129261), wk = 0.0030488 k( 78) = ( 0.5000000 0.3188429 -0.3218345), wk = 0.0030488 k( 79) = ( 0.5000000 0.3277312 -0.3307429), wk = 0.0030488 k( 80) = ( 0.5000000 0.3366194 -0.3396513), wk = 0.0030488 k( 81) = ( 0.5000000 0.3455077 -0.3485597), wk = 0.0030488 k( 82) = ( 0.5000000 0.3543960 -0.3574681), wk = 0.0030488 k( 83) = ( 0.5000000 0.3632842 -0.3663765), wk = 0.0030488 k( 84) = ( 0.5000000 0.3721725 -0.3752849), wk = 0.0030488 k( 85) = ( 0.5000000 0.3810607 -0.3841933), wk = 0.0030488 k( 86) = ( 0.5000000 0.3899490 -0.3931017), wk = 0.0030488 k( 87) = ( 0.5000000 0.3988373 -0.4020101), wk = 0.0030488 k( 88) = ( 0.5000000 0.4077255 -0.4109185), wk = 0.0030488 k( 89) = ( 0.5000000 0.4166138 -0.4198269), wk = 0.0030488 k( 90) = ( 0.5000000 0.4255021 -0.4287353), wk = 0.0030488 k( 91) = ( 0.5000000 0.4343903 -0.4376437), wk = 0.0030488 k( 92) = ( 0.5000000 0.4432786 -0.4465521), wk = 0.0030488 k( 93) = ( 0.5000000 0.4521668 -0.4554605), wk = 0.0030488 k( 94) = ( 0.5000000 0.4610551 -0.4643689), wk = 0.0030488 k( 95) = ( 0.5000000 0.4699434 -0.4732774), wk = 0.0030488 k( 96) = ( 0.5000000 0.4788316 -0.4821858), wk = 0.0030488 k( 97) = ( 0.5000000 0.4877199 -0.4910942), wk = 0.0030488 k( 98) = ( 0.5000000 0.4966081 -0.5000026), wk = 0.0030488 k( 99) = ( 0.5022587 0.4988617 0.4954750), wk = 0.0030488 k( 100) = ( 0.5000000 0.4988668 0.4977388), wk = 0.0030488 k( 101) = ( 0.5000000 0.4988668 0.4977388), wk = 0.0030488 k( 102) = ( 0.4926471 0.4915305 0.4904191), wk = 0.0030488 k( 103) = ( 0.4852941 0.4841943 0.4830994), wk = 0.0030488 k( 104) = ( 0.4779412 0.4768580 0.4757797), wk = 0.0030488 k( 105) = ( 0.4705882 0.4695217 0.4684600), wk = 0.0030488 k( 106) = ( 0.4632353 0.4621854 0.4611403), wk = 0.0030488 k( 107) = ( 0.4558823 0.4548492 0.4538206), wk = 0.0030488 k( 108) = ( 0.4485294 0.4475129 0.4465010), wk = 0.0030488 k( 109) = ( 0.4411765 0.4401766 0.4391813), wk = 0.0030488 k( 110) = ( 0.4338235 0.4328403 0.4318616), wk = 0.0030488 k( 111) = ( 0.4264706 0.4255041 0.4245419), wk = 0.0030488 k( 112) = ( 0.4191177 0.4181678 0.4172222), wk = 0.0030488 k( 113) = ( 0.4117647 0.4108315 0.4099025), wk = 0.0030488 k( 114) = ( 0.4044118 0.4034952 0.4025828), wk = 0.0030488 k( 115) = ( 0.3970588 0.3961589 0.3952631), wk = 0.0030488 k( 116) = ( 0.3897059 0.3888227 0.3879434), wk = 0.0030488 k( 117) = ( 0.3823529 0.3814864 0.3806238), wk = 0.0030488 k( 118) = ( 0.3750000 0.3741501 0.3733041), wk = 0.0030488 k( 119) = ( 0.3676471 0.3668138 0.3659844), wk = 0.0030488 k( 120) = ( 0.3602941 0.3594776 0.3586647), wk = 0.0030488 k( 121) = ( 0.3529412 0.3521413 0.3513450), wk = 0.0030488 k( 122) = ( 0.3455882 0.3448050 0.3440253), wk = 0.0030488 k( 123) = ( 0.3382353 0.3374687 0.3367056), wk = 0.0030488 k( 124) = ( 0.3308823 0.3301325 0.3293859), wk = 0.0030488 k( 125) = ( 0.3235294 0.3227962 0.3220663), wk = 0.0030488 k( 126) = ( 0.3161765 0.3154599 0.3147466), wk = 0.0030488 k( 127) = ( 0.3088235 0.3081236 0.3074269), wk = 0.0030488 k( 128) = ( 0.3014706 0.3007873 0.3001072), wk = 0.0030488 k( 129) = ( 0.2941177 0.2934511 0.2927875), wk = 0.0030488 k( 130) = ( 0.2867647 0.2861148 0.2854678), wk = 0.0030488 k( 131) = ( 0.2794118 0.2787785 0.2781481), wk = 0.0030488 k( 132) = ( 0.2720588 0.2714422 0.2708284), wk = 0.0030488 k( 133) = ( 0.2647059 0.2641060 0.2635088), wk = 0.0030488 k( 134) = ( 0.2573529 0.2567697 0.2561891), wk = 0.0030488 k( 135) = ( 0.2500000 0.2494334 0.2488694), wk = 0.0030488 k( 136) = ( 0.2426471 0.2420971 0.2415497), wk = 0.0030488 k( 137) = ( 0.2352941 0.2347609 0.2342300), wk = 0.0030488 k( 138) = ( 0.2279412 0.2274246 0.2269103), wk = 0.0030488 k( 139) = ( 0.2205882 0.2200883 0.2195906), wk = 0.0030488 k( 140) = ( 0.2132353 0.2127520 0.2122709), wk = 0.0030488 k( 141) = ( 0.2058823 0.2054157 0.2049513), wk = 0.0030488 k( 142) = ( 0.1985294 0.1980795 0.1976316), wk = 0.0030488 k( 143) = ( 0.1911765 0.1907432 0.1903119), wk = 0.0030488 k( 144) = ( 0.1838235 0.1834069 0.1829922), wk = 0.0030488 k( 145) = ( 0.1764706 0.1760706 0.1756725), wk = 0.0030488 k( 146) = ( 0.1691177 0.1687344 0.1683528), wk = 0.0030488 k( 147) = ( 0.1617647 0.1613981 0.1610331), wk = 0.0030488 k( 148) = ( 0.1544118 0.1540618 0.1537134), wk = 0.0030488 k( 149) = ( 0.1470588 0.1467255 0.1463938), wk = 0.0030488 k( 150) = ( 0.1397059 0.1393893 0.1390741), wk = 0.0030488 k( 151) = ( 0.1323529 0.1320530 0.1317544), wk = 0.0030488 k( 152) = ( 0.1250000 0.1247167 0.1244347), wk = 0.0030488 k( 153) = ( 0.1176471 0.1173804 0.1171150), wk = 0.0030488 k( 154) = ( 0.1102941 0.1100442 0.1097953), wk = 0.0030488 k( 155) = ( 0.1029412 0.1027079 0.1024756), wk = 0.0030488 k( 156) = ( 0.0955882 0.0953716 0.0951559), wk = 0.0030488 k( 157) = ( 0.0882353 0.0880353 0.0878362), wk = 0.0030488 k( 158) = ( 0.0808824 0.0806990 0.0805166), wk = 0.0030488 k( 159) = ( 0.0735294 0.0733628 0.0731969), wk = 0.0030488 k( 160) = ( 0.0661765 0.0660265 0.0658772), wk = 0.0030488 k( 161) = ( 0.0588235 0.0586902 0.0585575), wk = 0.0030488 k( 162) = ( 0.0514706 0.0513539 0.0512378), wk = 0.0030488 k( 163) = ( 0.0441177 0.0440177 0.0439181), wk = 0.0030488 k( 164) = ( 0.0367647 0.0366814 0.0365984), wk = 0.0030488 k( 165) = ( 0.0294118 0.0293451 0.0292787), wk = 0.0030488 k( 166) = ( 0.0220588 0.0220088 0.0219591), wk = 0.0030488 k( 167) = ( 0.0147059 0.0146726 0.0146394), wk = 0.0030488 k( 168) = ( 0.0073529 0.0073363 0.0073197), 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) = ( 0.0089084 -0.0000202 -0.0089286), wk = 0.0030488 k( 172) = ( 0.0178168 -0.0000404 -0.0178572), wk = 0.0030488 k( 173) = ( 0.0267252 -0.0000606 -0.0267858), wk = 0.0030488 k( 174) = ( 0.0356336 -0.0000809 -0.0357145), wk = 0.0030488 k( 175) = ( 0.0445420 -0.0001011 -0.0446431), wk = 0.0030488 k( 176) = ( 0.0534504 -0.0001213 -0.0535717), wk = 0.0030488 k( 177) = ( 0.0623588 -0.0001415 -0.0625003), wk = 0.0030488 k( 178) = ( 0.0712672 -0.0001617 -0.0714289), wk = 0.0030488 k( 179) = ( 0.0801756 -0.0001819 -0.0803576), wk = 0.0030488 k( 180) = ( 0.0890840 -0.0002021 -0.0892862), wk = 0.0030488 k( 181) = ( 0.0979924 -0.0002223 -0.0982148), wk = 0.0030488 k( 182) = ( 0.1069009 -0.0002426 -0.1071434), wk = 0.0030488 k( 183) = ( 0.1158093 -0.0002628 -0.1160720), wk = 0.0030488 k( 184) = ( 0.1247177 -0.0002830 -0.1250006), wk = 0.0030488 k( 185) = ( 0.1336261 -0.0003032 -0.1339293), wk = 0.0030488 k( 186) = ( 0.1425345 -0.0003234 -0.1428579), wk = 0.0030488 k( 187) = ( 0.1514429 -0.0003436 -0.1517865), wk = 0.0030488 k( 188) = ( 0.1603513 -0.0003638 -0.1607151), wk = 0.0030488 k( 189) = ( 0.1692597 -0.0003840 -0.1696437), wk = 0.0030488 k( 190) = ( 0.1781681 -0.0004043 -0.1785723), wk = 0.0030488 k( 191) = ( 0.1870765 -0.0004245 -0.1875010), wk = 0.0030488 k( 192) = ( 0.1959849 -0.0004447 -0.1964296), wk = 0.0030488 k( 193) = ( 0.2048933 -0.0004649 -0.2053582), wk = 0.0030488 k( 194) = ( 0.2138017 -0.0004851 -0.2142868), wk = 0.0030488 k( 195) = ( 0.2227101 -0.0005053 -0.2232154), wk = 0.0030488 k( 196) = ( 0.2316185 -0.0005255 -0.2321440), wk = 0.0030488 k( 197) = ( 0.2405269 -0.0005457 -0.2410727), wk = 0.0030488 k( 198) = ( 0.2494353 -0.0005660 -0.2500013), wk = 0.0030488 k( 199) = ( 0.2583437 -0.0005862 -0.2589299), wk = 0.0030488 k( 200) = ( 0.2672521 -0.0006064 -0.2678585), wk = 0.0030488 k( 201) = ( 0.2761605 -0.0006266 -0.2767871), wk = 0.0030488 k( 202) = ( 0.2850689 -0.0006468 -0.2857158), wk = 0.0030488 k( 203) = ( 0.2939774 -0.0006670 -0.2946444), wk = 0.0030488 k( 204) = ( 0.3028858 -0.0006872 -0.3035730), wk = 0.0030488 k( 205) = ( 0.3117942 -0.0007074 -0.3125016), wk = 0.0030488 k( 206) = ( 0.3207026 -0.0007277 -0.3214302), wk = 0.0030488 k( 207) = ( 0.3296110 -0.0007479 -0.3303588), wk = 0.0030488 k( 208) = ( 0.3385194 -0.0007681 -0.3392875), wk = 0.0030488 k( 209) = ( 0.3474278 -0.0007883 -0.3482161), wk = 0.0030488 k( 210) = ( 0.3563362 -0.0008085 -0.3571447), wk = 0.0030488 k( 211) = ( 0.3652446 -0.0008287 -0.3660733), wk = 0.0030488 k( 212) = ( 0.3741530 -0.0008489 -0.3750019), wk = 0.0030488 k( 213) = ( 0.3830614 -0.0008691 -0.3839305), wk = 0.0030488 k( 214) = ( 0.3919698 -0.0008894 -0.3928592), wk = 0.0030488 k( 215) = ( 0.4008782 -0.0009096 -0.4017878), wk = 0.0030488 k( 216) = ( 0.4097866 -0.0009298 -0.4107164), wk = 0.0030488 k( 217) = ( 0.4186950 -0.0009500 -0.4196450), wk = 0.0030488 k( 218) = ( 0.4276034 -0.0009702 -0.4285736), wk = 0.0030488 k( 219) = ( 0.4365118 -0.0009904 -0.4375022), wk = 0.0030488 k( 220) = ( 0.4454202 -0.0010106 -0.4464309), wk = 0.0030488 k( 221) = ( 0.4543286 -0.0010308 -0.4553595), wk = 0.0030488 k( 222) = ( 0.4632370 -0.0010511 -0.4642881), wk = 0.0030488 k( 223) = ( 0.4721455 -0.0010713 -0.4732167), wk = 0.0030488 k( 224) = ( 0.4810539 -0.0010915 -0.4821453), wk = 0.0030488 k( 225) = ( 0.4899623 -0.0011117 -0.4910740), wk = 0.0030488 k( 226) = ( 0.4988707 -0.0011319 -0.5000026), wk = 0.0030488 k( 227) = ( 0.5011293 0.4977349 -0.0022638), wk = 0.0030488 k( 228) = ( 0.5000000 0.4988668 -0.0022638), wk = 0.0030488 k( 229) = ( 0.5000000 0.4988668 -0.0022638), wk = 0.0030488 k( 230) = ( 0.5000282 0.4988950 0.0101797), wk = 0.0030488 k( 231) = ( 0.5000565 0.4989232 0.0226231), wk = 0.0030488 k( 232) = ( 0.5000847 0.4989513 0.0350666), wk = 0.0030488 k( 233) = ( 0.5001129 0.4989795 0.0475101), wk = 0.0030488 k( 234) = ( 0.5001412 0.4990077 0.0599535), wk = 0.0030488 k( 235) = ( 0.5001694 0.4990358 0.0723970), wk = 0.0030488 k( 236) = ( 0.5001976 0.4990640 0.0848405), wk = 0.0030488 k( 237) = ( 0.5002259 0.4990922 0.0972839), wk = 0.0030488 k( 238) = ( 0.5002541 0.4991203 0.1097274), wk = 0.0030488 k( 239) = ( 0.5002823 0.4991485 0.1221709), wk = 0.0030488 k( 240) = ( 0.5003106 0.4991767 0.1346144), wk = 0.0030488 k( 241) = ( 0.5003388 0.4992049 0.1470578), wk = 0.0030488 k( 242) = ( 0.5003670 0.4992330 0.1595013), wk = 0.0030488 k( 243) = ( 0.5003953 0.4992612 0.1719448), wk = 0.0030488 k( 244) = ( 0.5004235 0.4992894 0.1843882), wk = 0.0030488 k( 245) = ( 0.5004517 0.4993175 0.1968317), wk = 0.0030488 k( 246) = ( 0.5004800 0.4993457 0.2092752), wk = 0.0030488 k( 247) = ( 0.5005082 0.4993739 0.2217186), wk = 0.0030488 k( 248) = ( 0.5005364 0.4994020 0.2341621), wk = 0.0030488 k( 249) = ( 0.5005647 0.4994302 0.2466056), wk = 0.0030488 k( 250) = ( 0.5005929 0.4994584 0.2590490), wk = 0.0030488 k( 251) = ( 0.5006211 0.4994866 0.2714925), wk = 0.0030488 k( 252) = ( 0.5006494 0.4995147 0.2839360), wk = 0.0030488 k( 253) = ( 0.5006776 0.4995429 0.2963795), wk = 0.0030488 k( 254) = ( 0.5007058 0.4995711 0.3088229), wk = 0.0030488 k( 255) = ( 0.5007341 0.4995992 0.3212664), wk = 0.0030488 k( 256) = ( 0.5007623 0.4996274 0.3337099), wk = 0.0030488 k( 257) = ( 0.5007905 0.4996556 0.3461533), wk = 0.0030488 k( 258) = ( 0.5008188 0.4996837 0.3585968), wk = 0.0030488 k( 259) = ( 0.5008470 0.4997119 0.3710403), wk = 0.0030488 k( 260) = ( 0.5008752 0.4997401 0.3834837), wk = 0.0030488 k( 261) = ( 0.5009035 0.4997682 0.3959272), wk = 0.0030488 k( 262) = ( 0.5009317 0.4997964 0.4083707), wk = 0.0030488 k( 263) = ( 0.5009599 0.4998246 0.4208141), wk = 0.0030488 k( 264) = ( 0.5009882 0.4998528 0.4332576), wk = 0.0030488 k( 265) = ( 0.5010164 0.4998809 0.4457011), wk = 0.0030488 k( 266) = ( 0.5010446 0.4999091 0.4581446), wk = 0.0030488 k( 267) = ( 0.5010729 0.4999373 0.4705880), wk = 0.0030488 k( 268) = ( 0.5011011 0.4999654 0.4830315), wk = 0.0030488 k( 269) = ( 0.5011293 0.4999936 0.4954750), wk = 0.0030488 k( 270) = ( 0.5011293 0.4999936 0.4954750), wk = 0.0030488 k( 271) = ( 0.5000000 0.4988668 0.4977388), wk = 0.0030488 k( 272) = ( 0.5000000 -0.0011345 -0.0011319), wk = 0.0030488 k( 273) = ( 0.5000403 0.0077739 0.0077563), wk = 0.0030488 k( 274) = ( 0.5000807 0.0166822 0.0166445), wk = 0.0030488 k( 275) = ( 0.5001210 0.0255905 0.0255327), wk = 0.0030488 k( 276) = ( 0.5001613 0.0344989 0.0344209), wk = 0.0030488 k( 277) = ( 0.5002017 0.0434072 0.0433091), wk = 0.0030488 k( 278) = ( 0.5002420 0.0523156 0.0521973), wk = 0.0030488 k( 279) = ( 0.5002823 0.0612239 0.0610854), wk = 0.0030488 k( 280) = ( 0.5003227 0.0701322 0.0699736), wk = 0.0030488 k( 281) = ( 0.5003630 0.0790406 0.0788618), wk = 0.0030488 k( 282) = ( 0.5004033 0.0879489 0.0877500), wk = 0.0030488 k( 283) = ( 0.5004437 0.0968572 0.0966382), wk = 0.0030488 k( 284) = ( 0.5004840 0.1057656 0.1055264), wk = 0.0030488 k( 285) = ( 0.5005243 0.1146739 0.1144146), wk = 0.0030488 k( 286) = ( 0.5005647 0.1235822 0.1233028), wk = 0.0030488 k( 287) = ( 0.5006050 0.1324906 0.1321910), wk = 0.0030488 k( 288) = ( 0.5006453 0.1413989 0.1410792), wk = 0.0030488 k( 289) = ( 0.5006857 0.1503072 0.1499674), wk = 0.0030488 k( 290) = ( 0.5007260 0.1592156 0.1588556), wk = 0.0030488 k( 291) = ( 0.5007663 0.1681239 0.1677438), wk = 0.0030488 k( 292) = ( 0.5008067 0.1770323 0.1766319), wk = 0.0030488 k( 293) = ( 0.5008470 0.1859406 0.1855201), wk = 0.0030488 k( 294) = ( 0.5008873 0.1948489 0.1944083), wk = 0.0030488 k( 295) = ( 0.5009277 0.2037573 0.2032965), wk = 0.0030488 k( 296) = ( 0.5009680 0.2126656 0.2121847), wk = 0.0030488 k( 297) = ( 0.5010083 0.2215739 0.2210729), wk = 0.0030488 k( 298) = ( 0.5010487 0.2304823 0.2299611), wk = 0.0030488 k( 299) = ( 0.5010890 0.2393906 0.2388493), wk = 0.0030488 k( 300) = ( 0.5011293 0.2482989 0.2477375), wk = 0.0030488 k( 301) = ( 0.5011697 0.2572073 0.2566257), wk = 0.0030488 k( 302) = ( 0.5012100 0.2661156 0.2655139), wk = 0.0030488 k( 303) = ( 0.5012503 0.2750239 0.2744021), wk = 0.0030488 k( 304) = ( 0.5012907 0.2839323 0.2832903), wk = 0.0030488 k( 305) = ( 0.5013310 0.2928406 0.2921784), wk = 0.0030488 k( 306) = ( 0.5013713 0.3017490 0.3010666), wk = 0.0030488 k( 307) = ( 0.5014117 0.3106573 0.3099548), wk = 0.0030488 k( 308) = ( 0.5014520 0.3195656 0.3188430), wk = 0.0030488 k( 309) = ( 0.5014923 0.3284740 0.3277312), wk = 0.0030488 k( 310) = ( 0.5015327 0.3373823 0.3366194), wk = 0.0030488 k( 311) = ( 0.5015730 0.3462906 0.3455076), wk = 0.0030488 k( 312) = ( 0.5016133 0.3551990 0.3543958), wk = 0.0030488 k( 313) = ( 0.5016537 0.3641073 0.3632840), wk = 0.0030488 k( 314) = ( 0.5016940 0.3730157 0.3721722), wk = 0.0030488 k( 315) = ( 0.5017343 0.3819240 0.3810604), wk = 0.0030488 k( 316) = ( 0.5017747 0.3908323 0.3899486), wk = 0.0030488 k( 317) = ( 0.5018150 0.3997407 0.3988368), wk = 0.0030488 k( 318) = ( 0.5018553 0.4086490 0.4077249), wk = 0.0030488 k( 319) = ( 0.5018957 0.4175573 0.4166131), wk = 0.0030488 k( 320) = ( 0.5019360 0.4264657 0.4255013), wk = 0.0030488 k( 321) = ( 0.5019763 0.4353740 0.4343895), wk = 0.0030488 k( 322) = ( 0.5020167 0.4442823 0.4432777), wk = 0.0030488 k( 323) = ( 0.5020570 0.4531907 0.4521659), wk = 0.0030488 k( 324) = ( 0.5020973 0.4620990 0.4610541), wk = 0.0030488 k( 325) = ( 0.5021377 0.4710073 0.4699423), wk = 0.0030488 k( 326) = ( 0.5021780 0.4799157 0.4788305), wk = 0.0030488 k( 327) = ( 0.5022183 0.4888240 0.4877187), wk = 0.0030488 k( 328) = ( 0.5022587 0.4977324 0.4966069), 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 0.0088882 -0.0088882), wk = 0.0030488 k( 44) = ( 0.5000000 0.0177765 -0.0177765), wk = 0.0030488 k( 45) = ( 0.5000000 0.0266647 -0.0266647), wk = 0.0030488 k( 46) = ( 0.5000000 0.0355530 -0.0355529), wk = 0.0030488 k( 47) = ( 0.5000000 0.0444412 -0.0444412), wk = 0.0030488 k( 48) = ( 0.5000000 0.0533294 -0.0533294), wk = 0.0030488 k( 49) = ( 0.5000000 0.0622177 -0.0622177), wk = 0.0030488 k( 50) = ( 0.5000000 0.0711059 -0.0711059), wk = 0.0030488 k( 51) = ( 0.5000000 0.0799941 -0.0799941), wk = 0.0030488 k( 52) = ( 0.5000000 0.0888824 -0.0888824), wk = 0.0030488 k( 53) = ( 0.5000000 0.0977706 -0.0977706), wk = 0.0030488 k( 54) = ( 0.5000000 0.1066589 -0.1066589), wk = 0.0030488 k( 55) = ( 0.5000000 0.1155471 -0.1155471), wk = 0.0030488 k( 56) = ( 0.5000000 0.1244353 -0.1244353), wk = 0.0030488 k( 57) = ( 0.5000000 0.1333236 -0.1333236), wk = 0.0030488 k( 58) = ( 0.5000000 0.1422118 -0.1422118), wk = 0.0030488 k( 59) = ( 0.5000000 0.1511000 -0.1511000), wk = 0.0030488 k( 60) = ( 0.5000000 0.1599883 -0.1599883), wk = 0.0030488 k( 61) = ( 0.5000000 0.1688765 -0.1688765), wk = 0.0030488 k( 62) = ( 0.5000000 0.1777648 -0.1777648), wk = 0.0030488 k( 63) = ( 0.5000000 0.1866530 -0.1866530), wk = 0.0030488 k( 64) = ( 0.5000000 0.1955412 -0.1955412), wk = 0.0030488 k( 65) = ( 0.5000000 0.2044295 -0.2044295), wk = 0.0030488 k( 66) = ( 0.5000000 0.2133177 -0.2133177), wk = 0.0030488 k( 67) = ( 0.5000000 0.2222060 -0.2222060), wk = 0.0030488 k( 68) = ( 0.5000000 0.2310942 -0.2310942), wk = 0.0030488 k( 69) = ( 0.5000000 0.2399824 -0.2399824), wk = 0.0030488 k( 70) = ( 0.5000000 0.2488707 -0.2488707), wk = 0.0030488 k( 71) = ( 0.5000000 0.2577589 -0.2577589), wk = 0.0030488 k( 72) = ( 0.5000000 0.2666471 -0.2666471), wk = 0.0030488 k( 73) = ( 0.5000000 0.2755354 -0.2755354), wk = 0.0030488 k( 74) = ( 0.5000000 0.2844236 -0.2844236), wk = 0.0030488 k( 75) = ( 0.5000000 0.2933118 -0.2933119), wk = 0.0030488 k( 76) = ( 0.5000000 0.3022001 -0.3022001), wk = 0.0030488 k( 77) = ( 0.5000000 0.3110883 -0.3110883), wk = 0.0030488 k( 78) = ( 0.5000000 0.3199766 -0.3199766), wk = 0.0030488 k( 79) = ( 0.5000000 0.3288648 -0.3288648), wk = 0.0030488 k( 80) = ( 0.5000000 0.3377530 -0.3377530), wk = 0.0030488 k( 81) = ( 0.5000000 0.3466413 -0.3466413), wk = 0.0030488 k( 82) = ( 0.5000000 0.3555295 -0.3555295), wk = 0.0030488 k( 83) = ( 0.5000000 0.3644177 -0.3644178), wk = 0.0030488 k( 84) = ( 0.5000000 0.3733060 -0.3733060), wk = 0.0030488 k( 85) = ( 0.5000000 0.3821942 -0.3821942), wk = 0.0030488 k( 86) = ( 0.5000000 0.3910825 -0.3910825), wk = 0.0030488 k( 87) = ( 0.5000000 0.3999707 -0.3999707), wk = 0.0030488 k( 88) = ( 0.5000000 0.4088589 -0.4088589), wk = 0.0030488 k( 89) = ( 0.5000000 0.4177472 -0.4177472), wk = 0.0030488 k( 90) = ( 0.5000000 0.4266354 -0.4266354), wk = 0.0030488 k( 91) = ( 0.5000000 0.4355237 -0.4355237), wk = 0.0030488 k( 92) = ( 0.5000000 0.4444119 -0.4444119), wk = 0.0030488 k( 93) = ( 0.5000000 0.4533001 -0.4533001), wk = 0.0030488 k( 94) = ( 0.5000000 0.4621884 -0.4621884), wk = 0.0030488 k( 95) = ( 0.5000000 0.4710766 -0.4710766), wk = 0.0030488 k( 96) = ( 0.5000000 0.4799648 -0.4799649), wk = 0.0030488 k( 97) = ( 0.5000000 0.4888531 -0.4888531), wk = 0.0030488 k( 98) = ( 0.5000000 0.4977413 -0.4977413), wk = 0.0030488 k( 99) = ( 0.5022587 0.5000000 0.4977413), 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 0.4558824 0.4558823), wk = 0.0030488 k( 108) = ( 0.4485294 0.4485294 0.4485294), wk = 0.0030488 k( 109) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0030488 k( 110) = ( 0.4338235 0.4338235 0.4338235), wk = 0.0030488 k( 111) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0030488 k( 112) = ( 0.4191177 0.4191177 0.4191177), wk = 0.0030488 k( 113) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0030488 k( 114) = ( 0.4044118 0.4044118 0.4044118), wk = 0.0030488 k( 115) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0030488 k( 116) = ( 0.3897059 0.3897059 0.3897059), wk = 0.0030488 k( 117) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0030488 k( 118) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0030488 k( 119) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0030488 k( 120) = ( 0.3602941 0.3602941 0.3602941), wk = 0.0030488 k( 121) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0030488 k( 122) = ( 0.3455882 0.3455882 0.3455882), wk = 0.0030488 k( 123) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0030488 k( 124) = ( 0.3308823 0.3308823 0.3308823), wk = 0.0030488 k( 125) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0030488 k( 126) = ( 0.3161765 0.3161765 0.3161765), wk = 0.0030488 k( 127) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0030488 k( 128) = ( 0.3014706 0.3014706 0.3014706), wk = 0.0030488 k( 129) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0030488 k( 130) = ( 0.2867647 0.2867647 0.2867647), wk = 0.0030488 k( 131) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0030488 k( 132) = ( 0.2720588 0.2720588 0.2720588), wk = 0.0030488 k( 133) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0030488 k( 134) = ( 0.2573529 0.2573529 0.2573529), wk = 0.0030488 k( 135) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030488 k( 136) = ( 0.2426471 0.2426471 0.2426471), wk = 0.0030488 k( 137) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0030488 k( 138) = ( 0.2279412 0.2279412 0.2279412), wk = 0.0030488 k( 139) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0030488 k( 140) = ( 0.2132353 0.2132353 0.2132353), wk = 0.0030488 k( 141) = ( 0.2058823 0.2058823 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) = ( 0.0089084 0.0000000 -0.0089084), wk = 0.0030488 k( 172) = ( 0.0178168 0.0000000 -0.0178168), wk = 0.0030488 k( 173) = ( 0.0267252 -0.0000000 -0.0267252), wk = 0.0030488 k( 174) = ( 0.0356336 0.0000000 -0.0356336), wk = 0.0030488 k( 175) = ( 0.0445420 -0.0000000 -0.0445420), wk = 0.0030488 k( 176) = ( 0.0534504 -0.0000000 -0.0534504), wk = 0.0030488 k( 177) = ( 0.0623588 0.0000000 -0.0623588), wk = 0.0030488 k( 178) = ( 0.0712672 0.0000000 -0.0712672), wk = 0.0030488 k( 179) = ( 0.0801756 0.0000000 -0.0801756), wk = 0.0030488 k( 180) = ( 0.0890840 -0.0000000 -0.0890841), wk = 0.0030488 k( 181) = ( 0.0979924 -0.0000000 -0.0979925), wk = 0.0030488 k( 182) = ( 0.1069009 -0.0000000 -0.1069009), wk = 0.0030488 k( 183) = ( 0.1158093 -0.0000000 -0.1158093), wk = 0.0030488 k( 184) = ( 0.1247177 0.0000000 -0.1247177), wk = 0.0030488 k( 185) = ( 0.1336261 0.0000000 -0.1336261), wk = 0.0030488 k( 186) = ( 0.1425345 -0.0000000 -0.1425345), wk = 0.0030488 k( 187) = ( 0.1514429 -0.0000000 -0.1514429), wk = 0.0030488 k( 188) = ( 0.1603513 0.0000000 -0.1603513), wk = 0.0030488 k( 189) = ( 0.1692597 -0.0000000 -0.1692597), wk = 0.0030488 k( 190) = ( 0.1781681 0.0000000 -0.1781681), wk = 0.0030488 k( 191) = ( 0.1870765 -0.0000000 -0.1870765), wk = 0.0030488 k( 192) = ( 0.1959849 -0.0000000 -0.1959849), wk = 0.0030488 k( 193) = ( 0.2048933 -0.0000000 -0.2048933), wk = 0.0030488 k( 194) = ( 0.2138017 0.0000000 -0.2138017), wk = 0.0030488 k( 195) = ( 0.2227101 -0.0000000 -0.2227101), wk = 0.0030488 k( 196) = ( 0.2316185 -0.0000000 -0.2316185), wk = 0.0030488 k( 197) = ( 0.2405269 0.0000000 -0.2405269), wk = 0.0030488 k( 198) = ( 0.2494353 -0.0000000 -0.2494353), wk = 0.0030488 k( 199) = ( 0.2583437 0.0000000 -0.2583437), wk = 0.0030488 k( 200) = ( 0.2672521 0.0000000 -0.2672521), wk = 0.0030488 k( 201) = ( 0.2761605 0.0000000 -0.2761605), wk = 0.0030488 k( 202) = ( 0.2850689 0.0000000 -0.2850689), wk = 0.0030488 k( 203) = ( 0.2939774 0.0000000 -0.2939773), wk = 0.0030488 k( 204) = ( 0.3028858 -0.0000000 -0.3028858), wk = 0.0030488 k( 205) = ( 0.3117942 0.0000000 -0.3117942), wk = 0.0030488 k( 206) = ( 0.3207026 0.0000000 -0.3207026), wk = 0.0030488 k( 207) = ( 0.3296110 -0.0000000 -0.3296110), wk = 0.0030488 k( 208) = ( 0.3385194 -0.0000000 -0.3385194), wk = 0.0030488 k( 209) = ( 0.3474278 -0.0000000 -0.3474278), wk = 0.0030488 k( 210) = ( 0.3563362 0.0000000 -0.3563362), wk = 0.0030488 k( 211) = ( 0.3652446 -0.0000000 -0.3652446), wk = 0.0030488 k( 212) = ( 0.3741530 -0.0000000 -0.3741530), wk = 0.0030488 k( 213) = ( 0.3830614 -0.0000000 -0.3830614), wk = 0.0030488 k( 214) = ( 0.3919698 0.0000000 -0.3919698), wk = 0.0030488 k( 215) = ( 0.4008782 0.0000000 -0.4008782), wk = 0.0030488 k( 216) = ( 0.4097866 -0.0000000 -0.4097866), wk = 0.0030488 k( 217) = ( 0.4186950 -0.0000000 -0.4186950), wk = 0.0030488 k( 218) = ( 0.4276034 0.0000000 -0.4276034), wk = 0.0030488 k( 219) = ( 0.4365118 0.0000000 -0.4365118), wk = 0.0030488 k( 220) = ( 0.4454202 0.0000000 -0.4454202), wk = 0.0030488 k( 221) = ( 0.4543286 0.0000000 -0.4543286), wk = 0.0030488 k( 222) = ( 0.4632370 -0.0000000 -0.4632370), wk = 0.0030488 k( 223) = ( 0.4721455 -0.0000000 -0.4721455), wk = 0.0030488 k( 224) = ( 0.4810539 -0.0000000 -0.4810539), wk = 0.0030488 k( 225) = ( 0.4899623 0.0000000 -0.4899623), wk = 0.0030488 k( 226) = ( 0.4988707 -0.0000000 -0.4988707), wk = 0.0030488 k( 227) = ( 0.5011293 0.4988707 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) = ( 0.5000282 0.5000282 0.0124435), wk = 0.0030488 k( 231) = ( 0.5000565 0.5000565 0.0248871), wk = 0.0030488 k( 232) = ( 0.5000847 0.5000847 0.0373306), wk = 0.0030488 k( 233) = ( 0.5001129 0.5001129 0.0497741), wk = 0.0030488 k( 234) = ( 0.5001412 0.5001412 0.0622177), wk = 0.0030488 k( 235) = ( 0.5001694 0.5001694 0.0746612), wk = 0.0030488 k( 236) = ( 0.5001976 0.5001976 0.0871047), wk = 0.0030488 k( 237) = ( 0.5002259 0.5002259 0.0995483), wk = 0.0030488 k( 238) = ( 0.5002541 0.5002541 0.1119918), wk = 0.0030488 k( 239) = ( 0.5002823 0.5002823 0.1244353), wk = 0.0030488 k( 240) = ( 0.5003106 0.5003106 0.1368789), wk = 0.0030488 k( 241) = ( 0.5003388 0.5003388 0.1493224), wk = 0.0030488 k( 242) = ( 0.5003670 0.5003670 0.1617659), wk = 0.0030488 k( 243) = ( 0.5003953 0.5003953 0.1742095), wk = 0.0030488 k( 244) = ( 0.5004235 0.5004235 0.1866530), wk = 0.0030488 k( 245) = ( 0.5004517 0.5004517 0.1990965), wk = 0.0030488 k( 246) = ( 0.5004800 0.5004800 0.2115401), wk = 0.0030488 k( 247) = ( 0.5005082 0.5005082 0.2239836), wk = 0.0030488 k( 248) = ( 0.5005364 0.5005364 0.2364271), wk = 0.0030488 k( 249) = ( 0.5005647 0.5005647 0.2488707), wk = 0.0030488 k( 250) = ( 0.5005929 0.5005929 0.2613142), wk = 0.0030488 k( 251) = ( 0.5006211 0.5006211 0.2737577), wk = 0.0030488 k( 252) = ( 0.5006494 0.5006494 0.2862013), wk = 0.0030488 k( 253) = ( 0.5006776 0.5006776 0.2986448), wk = 0.0030488 k( 254) = ( 0.5007058 0.5007058 0.3110883), wk = 0.0030488 k( 255) = ( 0.5007341 0.5007341 0.3235319), wk = 0.0030488 k( 256) = ( 0.5007623 0.5007623 0.3359754), wk = 0.0030488 k( 257) = ( 0.5007905 0.5007905 0.3484189), wk = 0.0030488 k( 258) = ( 0.5008188 0.5008188 0.3608625), wk = 0.0030488 k( 259) = ( 0.5008470 0.5008470 0.3733060), wk = 0.0030488 k( 260) = ( 0.5008752 0.5008752 0.3857495), wk = 0.0030488 k( 261) = ( 0.5009035 0.5009035 0.3981931), wk = 0.0030488 k( 262) = ( 0.5009317 0.5009317 0.4106366), wk = 0.0030488 k( 263) = ( 0.5009599 0.5009599 0.4230801), wk = 0.0030488 k( 264) = ( 0.5009882 0.5009882 0.4355237), wk = 0.0030488 k( 265) = ( 0.5010164 0.5010164 0.4479672), wk = 0.0030488 k( 266) = ( 0.5010446 0.5010446 0.4604107), wk = 0.0030488 k( 267) = ( 0.5010729 0.5010729 0.4728543), wk = 0.0030488 k( 268) = ( 0.5011011 0.5011011 0.4852978), wk = 0.0030488 k( 269) = ( 0.5011293 0.5011293 0.4977413), wk = 0.0030488 k( 270) = ( 0.5011293 0.5011293 0.4977413), 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) = ( 0.5000403 0.0089084 0.0089084), wk = 0.0030488 k( 274) = ( 0.5000807 0.0178168 0.0178168), wk = 0.0030488 k( 275) = ( 0.5001210 0.0267252 0.0267252), wk = 0.0030488 k( 276) = ( 0.5001613 0.0356336 0.0356336), wk = 0.0030488 k( 277) = ( 0.5002017 0.0445420 0.0445420), wk = 0.0030488 k( 278) = ( 0.5002420 0.0534504 0.0534504), wk = 0.0030488 k( 279) = ( 0.5002823 0.0623588 0.0623588), wk = 0.0030488 k( 280) = ( 0.5003227 0.0712672 0.0712672), wk = 0.0030488 k( 281) = ( 0.5003630 0.0801756 0.0801756), wk = 0.0030488 k( 282) = ( 0.5004033 0.0890841 0.0890841), wk = 0.0030488 k( 283) = ( 0.5004437 0.0979924 0.0979925), wk = 0.0030488 k( 284) = ( 0.5004840 0.1069009 0.1069009), wk = 0.0030488 k( 285) = ( 0.5005243 0.1158093 0.1158093), wk = 0.0030488 k( 286) = ( 0.5005647 0.1247177 0.1247177), wk = 0.0030488 k( 287) = ( 0.5006050 0.1336261 0.1336261), wk = 0.0030488 k( 288) = ( 0.5006453 0.1425345 0.1425345), wk = 0.0030488 k( 289) = ( 0.5006857 0.1514429 0.1514429), wk = 0.0030488 k( 290) = ( 0.5007260 0.1603513 0.1603513), wk = 0.0030488 k( 291) = ( 0.5007663 0.1692597 0.1692597), wk = 0.0030488 k( 292) = ( 0.5008067 0.1781681 0.1781681), wk = 0.0030488 k( 293) = ( 0.5008470 0.1870765 0.1870765), wk = 0.0030488 k( 294) = ( 0.5008873 0.1959849 0.1959849), wk = 0.0030488 k( 295) = ( 0.5009277 0.2048933 0.2048933), wk = 0.0030488 k( 296) = ( 0.5009680 0.2138017 0.2138017), wk = 0.0030488 k( 297) = ( 0.5010083 0.2227101 0.2227101), wk = 0.0030488 k( 298) = ( 0.5010487 0.2316185 0.2316185), wk = 0.0030488 k( 299) = ( 0.5010890 0.2405269 0.2405269), wk = 0.0030488 k( 300) = ( 0.5011293 0.2494353 0.2494353), wk = 0.0030488 k( 301) = ( 0.5011697 0.2583437 0.2583437), wk = 0.0030488 k( 302) = ( 0.5012100 0.2672521 0.2672521), wk = 0.0030488 k( 303) = ( 0.5012503 0.2761605 0.2761605), wk = 0.0030488 k( 304) = ( 0.5012907 0.2850689 0.2850689), wk = 0.0030488 k( 305) = ( 0.5013310 0.2939774 0.2939774), wk = 0.0030488 k( 306) = ( 0.5013713 0.3028858 0.3028858), wk = 0.0030488 k( 307) = ( 0.5014117 0.3117942 0.3117942), wk = 0.0030488 k( 308) = ( 0.5014520 0.3207026 0.3207026), wk = 0.0030488 k( 309) = ( 0.5014923 0.3296110 0.3296110), wk = 0.0030488 k( 310) = ( 0.5015327 0.3385194 0.3385194), wk = 0.0030488 k( 311) = ( 0.5015730 0.3474278 0.3474278), wk = 0.0030488 k( 312) = ( 0.5016133 0.3563362 0.3563362), wk = 0.0030488 k( 313) = ( 0.5016537 0.3652446 0.3652446), wk = 0.0030488 k( 314) = ( 0.5016940 0.3741530 0.3741530), wk = 0.0030488 k( 315) = ( 0.5017343 0.3830614 0.3830614), wk = 0.0030488 k( 316) = ( 0.5017747 0.3919698 0.3919698), wk = 0.0030488 k( 317) = ( 0.5018150 0.4008782 0.4008782), wk = 0.0030488 k( 318) = ( 0.5018553 0.4097866 0.4097866), wk = 0.0030488 k( 319) = ( 0.5018957 0.4186950 0.4186950), wk = 0.0030488 k( 320) = ( 0.5019360 0.4276034 0.4276034), wk = 0.0030488 k( 321) = ( 0.5019763 0.4365118 0.4365118), wk = 0.0030488 k( 322) = ( 0.5020167 0.4454202 0.4454202), wk = 0.0030488 k( 323) = ( 0.5020570 0.4543286 0.4543286), wk = 0.0030488 k( 324) = ( 0.5020973 0.4632370 0.4632370), wk = 0.0030488 k( 325) = ( 0.5021377 0.4721455 0.4721455), wk = 0.0030488 k( 326) = ( 0.5021780 0.4810539 0.4810539), wk = 0.0030488 k( 327) = ( 0.5022183 0.4899623 0.4899623), wk = 0.0030488 k( 328) = ( 0.5022587 0.4988707 0.4988707), wk = 0.0030488 Dense grid: 101079 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 22011 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 124, 48) NL pseudopotentials 0.11 Mb ( 62, 111) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2106) G-vector shells 0.01 Mb ( 1757) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.36 Mb ( 124, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.16 Mb ( 111, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaTiO3.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 45.5 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 48.8 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.2 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 55.5 secs Computing kpt #: 5 total cpu time spent up to now is 58.2 secs Computing kpt #: 6 total cpu time spent up to now is 61.1 secs Computing kpt #: 7 total cpu time spent up to now is 63.0 secs Computing kpt #: 8 total cpu time spent up to now is 64.9 secs Computing kpt #: 9 total cpu time spent up to now is 66.7 secs Computing kpt #: 10 total cpu time spent up to now is 68.4 secs Computing kpt #: 11 total cpu time spent up to now is 70.2 secs Computing kpt #: 12 total cpu time spent up to now is 72.0 secs Computing kpt #: 13 total cpu time spent up to now is 73.7 secs Computing kpt #: 14 total cpu time spent up to now is 75.4 secs Computing kpt #: 15 total cpu time spent up to now is 76.7 secs Computing kpt #: 16 total cpu time spent up to now is 78.3 secs Computing kpt #: 17 total cpu time spent up to now is 79.7 secs Computing kpt #: 18 total cpu time spent up to now is 81.0 secs Computing kpt #: 19 total cpu time spent up to now is 82.3 secs Computing kpt #: 20 total cpu time spent up to now is 83.7 secs Computing kpt #: 21 total cpu time spent up to now is 84.9 secs Computing kpt #: 22 total cpu time spent up to now is 86.1 secs Computing kpt #: 23 total cpu time spent up to now is 87.3 secs Computing kpt #: 24 total cpu time spent up to now is 88.6 secs Computing kpt #: 25 total cpu time spent up to now is 89.8 secs Computing kpt #: 26 total cpu time spent up to now is 91.2 secs Computing kpt #: 27 total cpu time spent up to now is 92.4 secs Computing kpt #: 28 total cpu time spent up to now is 93.6 secs Computing kpt #: 29 total cpu time spent up to now is 94.8 secs Computing kpt #: 30 total cpu time spent up to now is 96.1 secs Computing kpt #: 31 total cpu time spent up to now is 97.4 secs Computing kpt #: 32 total cpu time spent up to now is 98.7 secs Computing kpt #: 33 total cpu time spent up to now is 99.9 secs Computing kpt #: 34 total cpu time spent up to now is 101.2 secs Computing kpt #: 35 total cpu time spent up to now is 102.4 secs Computing kpt #: 36 total cpu time spent up to now is 103.6 secs Computing kpt #: 37 total cpu time spent up to now is 104.8 secs Computing kpt #: 38 total cpu time spent up to now is 106.0 secs Computing kpt #: 39 total cpu time spent up to now is 107.2 secs Computing kpt #: 40 total cpu time spent up to now is 108.5 secs Computing kpt #: 41 total cpu time spent up to now is 109.8 secs Computing kpt #: 42 total cpu time spent up to now is 111.1 secs Computing kpt #: 43 total cpu time spent up to now is 112.3 secs Computing kpt #: 44 total cpu time spent up to now is 113.7 secs Computing kpt #: 45 total cpu time spent up to now is 115.0 secs Computing kpt #: 46 total cpu time spent up to now is 116.5 secs Computing kpt #: 47 total cpu time spent up to now is 117.8 secs Computing kpt #: 48 total cpu time spent up to now is 119.0 secs Computing kpt #: 49 total cpu time spent up to now is 120.3 secs Computing kpt #: 50 total cpu time spent up to now is 121.7 secs Computing kpt #: 51 total cpu time spent up to now is 123.0 secs Computing kpt #: 52 total cpu time spent up to now is 124.2 secs Computing kpt #: 53 total cpu time spent up to now is 125.5 secs Computing kpt #: 54 total cpu time spent up to now is 126.9 secs Computing kpt #: 55 total cpu time spent up to now is 128.1 secs Computing kpt #: 56 total cpu time spent up to now is 129.3 secs Computing kpt #: 57 total cpu time spent up to now is 130.5 secs Computing kpt #: 58 total cpu time spent up to now is 131.7 secs Computing kpt #: 59 total cpu time spent up to now is 132.9 secs Computing kpt #: 60 total cpu time spent up to now is 134.2 secs Computing kpt #: 61 total cpu time spent up to now is 135.4 secs Computing kpt #: 62 total cpu time spent up to now is 136.6 secs Computing kpt #: 63 total cpu time spent up to now is 137.8 secs Computing kpt #: 64 total cpu time spent up to now is 139.1 secs Computing kpt #: 65 total cpu time spent up to now is 140.3 secs Computing kpt #: 66 total cpu time spent up to now is 141.8 secs Computing kpt #: 67 total cpu time spent up to now is 143.2 secs Computing kpt #: 68 total cpu time spent up to now is 144.5 secs Computing kpt #: 69 total cpu time spent up to now is 145.9 secs Computing kpt #: 70 total cpu time spent up to now is 147.6 secs Computing kpt #: 71 total cpu time spent up to now is 148.9 secs Computing kpt #: 72 total cpu time spent up to now is 150.4 secs Computing kpt #: 73 total cpu time spent up to now is 152.0 secs Computing kpt #: 74 total cpu time spent up to now is 153.4 secs Computing kpt #: 75 total cpu time spent up to now is 155.1 secs Computing kpt #: 76 total cpu time spent up to now is 156.8 secs Computing kpt #: 77 total cpu time spent up to now is 158.6 secs Computing kpt #: 78 total cpu time spent up to now is 160.6 secs Computing kpt #: 79 total cpu time spent up to now is 162.6 secs Computing kpt #: 80 total cpu time spent up to now is 164.7 secs Computing kpt #: 81 total cpu time spent up to now is 166.8 secs Computing kpt #: 82 total cpu time spent up to now is 169.2 secs Computing kpt #: 83 total cpu time spent up to now is 171.5 secs Computing kpt #: 84 total cpu time spent up to now is 173.9 secs Computing kpt #: 85 total cpu time spent up to now is 176.3 secs Computing kpt #: 86 total cpu time spent up to now is 179.2 secs Computing kpt #: 87 total cpu time spent up to now is 181.5 secs Computing kpt #: 88 total cpu time spent up to now is 184.0 secs Computing kpt #: 89 total cpu time spent up to now is 186.6 secs Computing kpt #: 90 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 189.8 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 192.9 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 197.3 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 201.2 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 204.4 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 207.5 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 210.8 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 214.0 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 217.2 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 220.4 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 223.4 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 226.4 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 229.6 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 232.7 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 235.8 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 238.9 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 242.0 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 245.1 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 248.3 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 251.4 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 254.5 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 257.6 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 260.9 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 264.0 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 267.2 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 270.3 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 273.5 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 276.6 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 279.9 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 283.0 secs Computing kpt #: 120 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 286.2 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 289.4 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 292.6 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 295.8 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 299.0 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 302.3 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 305.4 secs Computing kpt #: 127 total cpu time spent up to now is 307.6 secs Computing kpt #: 128 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 310.7 secs Computing kpt #: 129 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 313.9 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 317.1 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 320.3 secs Computing kpt #: 132 total cpu time spent up to now is 322.9 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 326.0 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 329.3 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 332.4 secs Computing kpt #: 136 total cpu time spent up to now is 334.0 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 337.1 secs Computing kpt #: 138 total cpu time spent up to now is 339.4 secs Computing kpt #: 139 total cpu time spent up to now is 341.1 secs Computing kpt #: 140 total cpu time spent up to now is 342.7 secs Computing kpt #: 141 total cpu time spent up to now is 344.4 secs Computing kpt #: 142 total cpu time spent up to now is 346.1 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 349.2 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 352.5 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 355.7 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 358.9 secs Computing kpt #: 147 total cpu time spent up to now is 360.4 secs Computing kpt #: 148 total cpu time spent up to now is 362.0 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 365.0 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 368.3 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 371.5 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 374.8 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 378.0 secs Computing kpt #: 154 total cpu time spent up to now is 379.5 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 382.7 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 386.0 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 389.2 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 392.4 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 395.7 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 398.9 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 402.1 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 405.5 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 408.7 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 411.9 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 414.9 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 418.2 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 421.3 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 424.6 secs Computing kpt #: 169 total cpu time spent up to now is 426.4 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 429.6 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 432.9 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 436.2 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 439.4 secs Computing kpt #: 174 total cpu time spent up to now is 441.6 secs Computing kpt #: 175 total cpu time spent up to now is 443.7 secs Computing kpt #: 176 total cpu time spent up to now is 445.9 secs Computing kpt #: 177 total cpu time spent up to now is 448.0 secs Computing kpt #: 178 total cpu time spent up to now is 449.8 secs Computing kpt #: 179 total cpu time spent up to now is 451.6 secs Computing kpt #: 180 total cpu time spent up to now is 453.1 secs Computing kpt #: 181 total cpu time spent up to now is 454.8 secs Computing kpt #: 182 total cpu time spent up to now is 456.6 secs Computing kpt #: 183 total cpu time spent up to now is 458.3 secs Computing kpt #: 184 total cpu time spent up to now is 459.8 secs Computing kpt #: 185 total cpu time spent up to now is 461.1 secs Computing kpt #: 186 total cpu time spent up to now is 462.5 secs Computing kpt #: 187 total cpu time spent up to now is 463.8 secs Computing kpt #: 188 total cpu time spent up to now is 465.3 secs Computing kpt #: 189 total cpu time spent up to now is 466.6 secs Computing kpt #: 190 total cpu time spent up to now is 467.9 secs Computing kpt #: 191 total cpu time spent up to now is 469.2 secs Computing kpt #: 192 total cpu time spent up to now is 470.5 secs Computing kpt #: 193 total cpu time spent up to now is 471.8 secs Computing kpt #: 194 total cpu time spent up to now is 473.1 secs Computing kpt #: 195 total cpu time spent up to now is 474.3 secs Computing kpt #: 196 total cpu time spent up to now is 475.6 secs Computing kpt #: 197 total cpu time spent up to now is 476.9 secs Computing kpt #: 198 total cpu time spent up to now is 478.0 secs Computing kpt #: 199 total cpu time spent up to now is 479.2 secs Computing kpt #: 200 total cpu time spent up to now is 480.4 secs Computing kpt #: 201 total cpu time spent up to now is 481.7 secs Computing kpt #: 202 total cpu time spent up to now is 482.9 secs Computing kpt #: 203 total cpu time spent up to now is 484.1 secs Computing kpt #: 204 total cpu time spent up to now is 485.4 secs Computing kpt #: 205 total cpu time spent up to now is 486.8 secs Computing kpt #: 206 total cpu time spent up to now is 488.0 secs Computing kpt #: 207 total cpu time spent up to now is 489.2 secs Computing kpt #: 208 total cpu time spent up to now is 490.5 secs Computing kpt #: 209 total cpu time spent up to now is 491.9 secs Computing kpt #: 210 total cpu time spent up to now is 493.2 secs Computing kpt #: 211 total cpu time spent up to now is 494.9 secs Computing kpt #: 212 total cpu time spent up to now is 496.9 secs Computing kpt #: 213 total cpu time spent up to now is 498.6 secs Computing kpt #: 214 total cpu time spent up to now is 500.1 secs Computing kpt #: 215 total cpu time spent up to now is 501.4 secs Computing kpt #: 216 total cpu time spent up to now is 502.5 secs Computing kpt #: 217 total cpu time spent up to now is 503.7 secs Computing kpt #: 218 total cpu time spent up to now is 504.8 secs Computing kpt #: 219 total cpu time spent up to now is 505.9 secs Computing kpt #: 220 total cpu time spent up to now is 506.9 secs Computing kpt #: 221 total cpu time spent up to now is 508.1 secs Computing kpt #: 222 total cpu time spent up to now is 509.2 secs Computing kpt #: 223 total cpu time spent up to now is 510.2 secs Computing kpt #: 224 total cpu time spent up to now is 511.1 secs Computing kpt #: 225 total cpu time spent up to now is 512.1 secs Computing kpt #: 226 total cpu time spent up to now is 513.2 secs Computing kpt #: 227 total cpu time spent up to now is 514.2 secs Computing kpt #: 228 total cpu time spent up to now is 515.2 secs Computing kpt #: 229 total cpu time spent up to now is 516.3 secs Computing kpt #: 230 total cpu time spent up to now is 517.3 secs Computing kpt #: 231 total cpu time spent up to now is 518.4 secs Computing kpt #: 232 total cpu time spent up to now is 519.6 secs Computing kpt #: 233 total cpu time spent up to now is 520.6 secs Computing kpt #: 234 total cpu time spent up to now is 521.6 secs Computing kpt #: 235 total cpu time spent up to now is 522.9 secs Computing kpt #: 236 total cpu time spent up to now is 524.3 secs Computing kpt #: 237 total cpu time spent up to now is 525.5 secs Computing kpt #: 238 total cpu time spent up to now is 526.7 secs Computing kpt #: 239 total cpu time spent up to now is 527.9 secs Computing kpt #: 240 total cpu time spent up to now is 529.2 secs Computing kpt #: 241 total cpu time spent up to now is 530.6 secs Computing kpt #: 242 total cpu time spent up to now is 531.8 secs Computing kpt #: 243 total cpu time spent up to now is 533.3 secs Computing kpt #: 244 total cpu time spent up to now is 534.6 secs Computing kpt #: 245 total cpu time spent up to now is 536.2 secs Computing kpt #: 246 total cpu time spent up to now is 537.7 secs Computing kpt #: 247 total cpu time spent up to now is 539.3 secs Computing kpt #: 248 total cpu time spent up to now is 540.8 secs Computing kpt #: 249 total cpu time spent up to now is 542.5 secs Computing kpt #: 250 total cpu time spent up to now is 544.3 secs Computing kpt #: 251 total cpu time spent up to now is 546.1 secs Computing kpt #: 252 total cpu time spent up to now is 547.8 secs Computing kpt #: 253 total cpu time spent up to now is 549.5 secs Computing kpt #: 254 total cpu time spent up to now is 551.5 secs Computing kpt #: 255 total cpu time spent up to now is 553.4 secs Computing kpt #: 256 total cpu time spent up to now is 555.4 secs Computing kpt #: 257 total cpu time spent up to now is 557.5 secs Computing kpt #: 258 total cpu time spent up to now is 559.5 secs Computing kpt #: 259 total cpu time spent up to now is 561.7 secs Computing kpt #: 260 total cpu time spent up to now is 564.1 secs Computing kpt #: 261 total cpu time spent up to now is 566.6 secs Computing kpt #: 262 total cpu time spent up to now is 569.3 secs Computing kpt #: 263 total cpu time spent up to now is 571.5 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 574.6 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 577.9 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 581.1 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 584.2 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 587.4 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 590.6 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 593.7 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 596.8 secs Computing kpt #: 272 total cpu time spent up to now is 598.1 secs Computing kpt #: 273 total cpu time spent up to now is 599.2 secs Computing kpt #: 274 total cpu time spent up to now is 600.3 secs Computing kpt #: 275 total cpu time spent up to now is 601.5 secs Computing kpt #: 276 total cpu time spent up to now is 602.9 secs Computing kpt #: 277 total cpu time spent up to now is 604.2 secs Computing kpt #: 278 total cpu time spent up to now is 605.6 secs Computing kpt #: 279 total cpu time spent up to now is 606.8 secs Computing kpt #: 280 total cpu time spent up to now is 608.0 secs Computing kpt #: 281 total cpu time spent up to now is 609.3 secs Computing kpt #: 282 total cpu time spent up to now is 610.4 secs Computing kpt #: 283 total cpu time spent up to now is 611.6 secs Computing kpt #: 284 total cpu time spent up to now is 613.0 secs Computing kpt #: 285 total cpu time spent up to now is 614.4 secs Computing kpt #: 286 total cpu time spent up to now is 615.6 secs Computing kpt #: 287 total cpu time spent up to now is 616.8 secs Computing kpt #: 288 total cpu time spent up to now is 618.0 secs Computing kpt #: 289 total cpu time spent up to now is 619.2 secs Computing kpt #: 290 total cpu time spent up to now is 620.4 secs Computing kpt #: 291 total cpu time spent up to now is 621.7 secs Computing kpt #: 292 total cpu time spent up to now is 622.9 secs Computing kpt #: 293 total cpu time spent up to now is 624.1 secs Computing kpt #: 294 total cpu time spent up to now is 625.2 secs Computing kpt #: 295 total cpu time spent up to now is 626.5 secs Computing kpt #: 296 total cpu time spent up to now is 627.7 secs Computing kpt #: 297 total cpu time spent up to now is 629.1 secs Computing kpt #: 298 total cpu time spent up to now is 630.5 secs Computing kpt #: 299 total cpu time spent up to now is 631.7 secs Computing kpt #: 300 total cpu time spent up to now is 633.0 secs Computing kpt #: 301 total cpu time spent up to now is 634.2 secs Computing kpt #: 302 total cpu time spent up to now is 635.6 secs Computing kpt #: 303 total cpu time spent up to now is 637.0 secs Computing kpt #: 304 total cpu time spent up to now is 638.8 secs Computing kpt #: 305 total cpu time spent up to now is 640.4 secs Computing kpt #: 306 total cpu time spent up to now is 642.1 secs Computing kpt #: 307 total cpu time spent up to now is 643.7 secs Computing kpt #: 308 total cpu time spent up to now is 645.4 secs Computing kpt #: 309 total cpu time spent up to now is 647.3 secs Computing kpt #: 310 total cpu time spent up to now is 649.2 secs Computing kpt #: 311 total cpu time spent up to now is 651.2 secs Computing kpt #: 312 total cpu time spent up to now is 653.2 secs Computing kpt #: 313 total cpu time spent up to now is 655.6 secs Computing kpt #: 314 total cpu time spent up to now is 658.1 secs Computing kpt #: 315 total cpu time spent up to now is 660.6 secs Computing kpt #: 316 total cpu time spent up to now is 663.1 secs Computing kpt #: 317 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 666.3 secs Computing kpt #: 318 total cpu time spent up to now is 669.2 secs Computing kpt #: 319 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 672.4 secs Computing kpt #: 320 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 675.5 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 678.7 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 681.9 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 685.1 secs Computing kpt #: 324 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 688.3 secs Computing kpt #: 325 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 691.6 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 694.8 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 698.0 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 701.1 secs ethr = 2.50E-11, avg # of iterations = 61.0 total cpu time spent up to now is 701.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9906 -45.9906 -22.6970 -22.6970 -22.0424 -22.0424 -22.0403 -22.0403 -14.3942 -14.3942 -6.5005 -6.5005 -5.8361 -5.8361 -5.8339 -5.8339 -0.9331 -0.9331 0.9810 0.9810 0.9815 0.9815 7.9680 7.9680 8.1853 8.1853 8.1859 8.1859 9.0329 9.0329 9.0424 9.0424 9.2375 9.2375 9.8279 9.8279 9.9705 9.9705 10.0235 10.0235 12.6059 12.6059 12.6183 12.6183 12.7451 12.7451 14.7355 14.7361 k = 0.0125-0.0000-0.0000 ( 2777 PWs) bands (ev): -45.9906 -45.9906 -22.6971 -22.6970 -22.0425 -22.0425 -22.0404 -22.0403 -14.3940 -14.3940 -6.5006 -6.5004 -5.8363 -5.8359 -5.8338 -5.8338 -0.9328 -0.9327 0.9813 0.9814 0.9818 0.9822 7.9653 7.9687 8.1814 8.1834 8.1856 8.1869 9.0309 9.0310 9.0395 9.0414 9.2358 9.2373 9.8127 9.8380 9.9566 9.9805 10.0236 10.0240 12.6069 12.6075 12.6189 12.6210 12.7454 12.7469 14.7368 14.7403 k = 0.0250-0.0001-0.0001 ( 2771 PWs) bands (ev): -45.9906 -45.9906 -22.6972 -22.6970 -22.0425 -22.0425 -22.0404 -22.0403 -14.3935 -14.3935 -6.5009 -6.5003 -5.8363 -5.8357 -5.8337 -5.8337 -0.9317 -0.9317 0.9822 0.9823 0.9831 0.9839 7.9604 7.9672 8.1732 8.1784 8.1845 8.1859 9.0249 9.0252 9.0327 9.0364 9.2322 9.2350 9.7933 9.8417 9.9410 9.9849 10.0232 10.0257 12.6085 12.6113 12.6249 12.6273 12.7479 12.7508 14.7358 14.7362 k = 0.0375-0.0001-0.0001 ( 2766 PWs) bands (ev): -45.9905 -45.9905 -22.6973 -22.6971 -22.0426 -22.0426 -22.0406 -22.0404 -14.3926 -14.3926 -6.5012 -6.5004 -5.8363 -5.8353 -5.8334 -5.8334 -0.9300 -0.9299 0.9836 0.9837 0.9855 0.9866 7.9531 7.9634 8.1612 8.1699 8.1824 8.1836 9.0150 9.0154 9.0225 9.0277 9.2265 9.2305 9.7703 9.8374 9.9261 9.9840 10.0217 10.0280 12.6097 12.6155 12.6374 12.6390 12.7528 12.7569 14.7356 14.7362 k = 0.0500-0.0001-0.0001 ( 2766 PWs) bands (ev): -45.9905 -45.9905 -22.6975 -22.6972 -22.0429 -22.0428 -22.0407 -22.0405 -14.3913 -14.3913 -6.5016 -6.5005 -5.8362 -5.8349 -5.8330 -5.8330 -0.9276 -0.9275 0.9855 0.9856 0.9889 0.9904 7.9431 7.9570 8.1456 8.1579 8.1792 8.1805 9.0014 9.0019 9.0092 9.0154 9.2189 9.2239 9.7442 9.8236 9.9138 9.9791 10.0186 10.0292 12.6112 12.6196 12.6555 12.6564 12.7604 12.7653 14.7354 14.7362 k = 0.0625-0.0001-0.0001 ( 2762 PWs) bands (ev): -45.9905 -45.9905 -22.6977 -22.6974 -22.0433 -22.0432 -22.0408 -22.0405 -14.3898 -14.3897 -6.5022 -6.5009 -5.8358 -5.8343 -5.8325 -5.8324 -0.9246 -0.9244 0.9880 0.9881 0.9933 0.9951 7.9299 7.9473 8.1274 8.1431 8.1751 8.1764 8.9841 8.9849 8.9932 9.0000 9.2091 9.2150 9.7153 9.8011 9.9039 9.9715 10.0136 10.0278 12.6136 12.6238 12.6788 12.6793 12.7708 12.7763 14.7352 14.7362 k = 0.0750-0.0002-0.0002 ( 2765 PWs) bands (ev): -45.9905 -45.9905 -22.6980 -22.6976 -22.0438 -22.0436 -22.0408 -22.0406 -14.3878 -14.3878 -6.5031 -6.5015 -5.8353 -5.8337 -5.8318 -5.8315 -0.9209 -0.9207 0.9909 0.9910 0.9987 1.0009 7.9129 7.9336 8.1073 8.1262 8.1699 8.1713 8.9637 8.9646 8.9747 8.9816 9.1973 9.2038 9.6841 9.7719 9.8949 9.9619 10.0066 10.0232 12.6169 12.6282 12.7067 12.7071 12.7846 12.7903 14.7349 14.7361 k = 0.0875-0.0002-0.0002 ( 2764 PWs) bands (ev): -45.9905 -45.9905 -22.6983 -22.6979 -22.0445 -22.0442 -22.0409 -22.0407 -14.3856 -14.3855 -6.5043 -6.5025 -5.8345 -5.8329 -5.8308 -5.8302 -0.9166 -0.9164 0.9944 0.9945 1.0050 1.0076 7.8914 7.9147 8.0867 8.1081 8.1637 8.1651 8.9406 8.9414 8.9541 8.9607 9.1834 9.1903 9.6508 9.7379 9.8853 9.9506 9.9973 10.0152 12.6211 12.6330 12.7388 12.7395 12.8019 12.8078 14.7346 14.7360 k = 0.1000-0.0002-0.0002 ( 2754 PWs) bands (ev): -45.9904 -45.9904 -22.6986 -22.6981 -22.0451 -22.0448 -22.0409 -22.0407 -14.3830 -14.3830 -6.5059 -6.5039 -5.8334 -5.8320 -5.8296 -5.8284 -0.9117 -0.9115 0.9984 0.9985 1.0123 1.0151 7.8649 7.8896 8.0668 8.0897 8.1564 8.1579 8.9153 8.9159 8.9315 8.9374 9.1675 9.1746 9.6156 9.7002 9.8746 9.9379 9.9858 10.0037 12.6261 12.6381 12.7746 12.7760 12.8232 12.8293 14.7343 14.7359 k = 0.1125-0.0003-0.0003 ( 2758 PWs) bands (ev): -45.9904 -45.9904 -22.6990 -22.6985 -22.0460 -22.0456 -22.0409 -22.0407 -14.3802 -14.3801 -6.5081 -6.5058 -5.8322 -5.8311 -5.8278 -5.8260 -0.9062 -0.9061 1.0028 1.0029 1.0204 1.0236 7.8329 7.8579 8.0484 8.0715 8.1480 8.1496 8.8882 8.8882 8.9072 8.9123 9.1495 9.1567 9.5786 9.6595 9.8625 9.9239 9.9723 9.9890 12.6317 12.6434 12.8133 12.8161 12.8488 12.8555 14.7340 14.7358 k = 0.1250-0.0003-0.0003 ( 2750 PWs) bands (ev): -45.9904 -45.9904 -22.6994 -22.6988 -22.0470 -22.0464 -22.0408 -22.0407 -14.3771 -14.3770 -6.5108 -6.5083 -5.8309 -5.8301 -5.8253 -5.8229 -0.9003 -0.9001 1.0077 1.0078 1.0293 1.0328 7.7954 7.8196 8.0317 8.0539 8.1383 8.1400 8.8590 8.8596 8.8816 8.8857 9.1298 9.1370 9.5401 9.6162 9.8489 9.9088 9.9568 9.9715 12.6378 12.6489 12.8536 12.8592 12.8790 12.8877 14.7337 14.7356 k = 0.1375-0.0003-0.0003 ( 2753 PWs) bands (ev): -45.9904 -45.9904 -22.6999 -22.6992 -22.0480 -22.0474 -22.0408 -22.0407 -14.3737 -14.3736 -6.5142 -6.5115 -5.8296 -5.8291 -5.8219 -5.8190 -0.8939 -0.8938 1.0130 1.0131 1.0390 1.0428 7.7527 7.7753 8.0165 8.0370 8.1273 8.1292 8.8284 8.8301 8.8551 8.8580 9.1084 9.1154 9.5002 9.5706 9.8340 9.8924 9.9397 9.9517 12.6441 12.6544 12.8941 12.9029 12.9159 12.9268 14.7333 14.7354 k = 0.1500-0.0003-0.0003 ( 2757 PWs) bands (ev): -45.9903 -45.9903 -22.7004 -22.6997 -22.0491 -22.0485 -22.0408 -22.0406 -14.3700 -14.3699 -6.5183 -6.5155 -5.8284 -5.8280 -5.8175 -5.8143 -0.8871 -0.8870 1.0186 1.0188 1.0493 1.0535 7.7052 7.7258 8.0022 8.0208 8.1151 8.1171 8.7969 8.7999 8.8280 8.8295 9.0855 9.0923 9.4590 9.5232 9.8179 9.8751 9.9212 9.9299 12.6506 12.6600 12.9349 12.9443 12.9617 12.9723 14.7329 14.7352 k = 0.1625-0.0004-0.0004 ( 2751 PWs) bands (ev): -45.9903 -45.9903 -22.7009 -22.7002 -22.0503 -22.0496 -22.0407 -22.0406 -14.3662 -14.3661 -6.5233 -6.5203 -5.8271 -5.8269 -5.8120 -5.8086 -0.8799 -0.8798 1.0246 1.0248 1.0604 1.0648 7.6535 7.6721 7.9885 8.0049 8.1015 8.1036 8.7647 8.7693 8.8005 8.8007 9.0613 9.0678 9.4167 9.4741 9.8007 9.8567 9.9017 9.9069 12.6570 12.6657 12.9772 12.9864 13.0129 13.0224 14.7324 14.7350 k = 0.1750-0.0004-0.0004 ( 2755 PWs) bands (ev): -45.9903 -45.9903 -22.7014 -22.7007 -22.0515 -22.0508 -22.0406 -22.0405 -14.3621 -14.3620 -6.5290 -6.5259 -5.8259 -5.8257 -5.8056 -5.8019 -0.8724 -0.8724 1.0310 1.0311 1.0720 1.0767 7.5981 7.6148 7.9748 7.9891 8.0865 8.0887 8.7322 8.7386 8.7717 8.7730 9.0362 9.0423 9.3736 9.4238 9.7826 9.8373 9.8814 9.8830 12.6634 12.6713 13.0220 13.0311 13.0668 13.0756 14.7320 14.7347 k = 0.1875-0.0004-0.0004 ( 2755 PWs) bands (ev): -45.9902 -45.9902 -22.7020 -22.7012 -22.0528 -22.0520 -22.0406 -22.0405 -14.3579 -14.3578 -6.5356 -6.5324 -5.8246 -5.8244 -5.7981 -5.7942 -0.8646 -0.8646 1.0376 1.0378 1.0841 1.0891 7.5398 7.5547 7.9609 7.9733 8.0701 8.0725 8.6997 8.7081 8.7429 8.7457 9.0102 9.0159 9.3299 9.3726 9.7637 9.8168 9.8590 9.8607 12.6698 12.6770 13.0693 13.0785 13.1226 13.1309 14.7315 14.7343 k = 0.2000-0.0005-0.0005 ( 2757 PWs) bands (ev): -45.9902 -45.9902 -22.7026 -22.7018 -22.0542 -22.0533 -22.0405 -22.0404 -14.3535 -14.3534 -6.5430 -6.5397 -5.8233 -5.8231 -5.7895 -5.7855 -0.8567 -0.8566 1.0445 1.0447 1.0967 1.1019 7.4791 7.4923 7.9467 7.9573 8.0524 8.0549 8.6674 8.6779 8.7146 8.7187 8.9838 8.9889 9.2857 9.3210 9.7442 9.7952 9.8353 9.8396 12.6761 12.6826 13.1189 13.1283 13.1798 13.1878 14.7309 14.7340 k = 0.2125-0.0005-0.0005 ( 2750 PWs) bands (ev): -45.9902 -45.9902 -22.7032 -22.7024 -22.0555 -22.0546 -22.0404 -22.0403 -14.3490 -14.3489 -6.5511 -6.5478 -5.8219 -5.8218 -5.7800 -5.7758 -0.8486 -0.8484 1.0516 1.0518 1.1097 1.1151 7.4166 7.4284 7.9320 7.9409 8.0334 8.0360 8.6355 8.6483 8.6868 8.6923 8.9570 8.9615 9.2415 9.2693 9.7243 9.7726 9.8123 9.8185 12.6823 12.6883 13.1706 13.1801 13.2380 13.2458 14.7303 14.7336 k = 0.2250-0.0005-0.0005 ( 2747 PWs) bands (ev): -45.9901 -45.9901 -22.7038 -22.7030 -22.0568 -22.0560 -22.0403 -22.0402 -14.3444 -14.3443 -6.5601 -6.5567 -5.8205 -5.8204 -5.7695 -5.7652 -0.8403 -0.8401 1.0589 1.0590 1.1229 1.1285 7.3529 7.3633 7.9167 7.9241 8.0132 8.0159 8.6042 8.6194 8.6597 8.6666 8.9302 8.9341 9.1976 9.2180 9.7041 9.7490 9.7902 9.7975 12.6885 12.6939 13.2240 13.2336 13.2968 13.3045 14.7297 14.7331 k = 0.2375-0.0005-0.0005 ( 2743 PWs) bands (ev): -45.9901 -45.9901 -22.7044 -22.7035 -22.0582 -22.0573 -22.0402 -22.0401 -14.3397 -14.3396 -6.5696 -6.5663 -5.8192 -5.8191 -5.7581 -5.7538 -0.8321 -0.8318 1.0663 1.0664 1.1364 1.1422 7.2883 7.2976 7.9008 7.9068 7.9920 7.9947 8.5737 8.5914 8.6334 8.6415 8.9037 8.9068 9.1541 9.1675 9.6837 9.7249 9.7690 9.7767 12.6946 12.6996 13.2785 13.2882 13.3558 13.3635 14.7290 14.7326 k = 0.2500-0.0006-0.0006 ( 2747 PWs) bands (ev): -45.9900 -45.9900 -22.7050 -22.7042 -22.0596 -22.0587 -22.0401 -22.0401 -14.3350 -14.3349 -6.5797 -6.5765 -5.8178 -5.8177 -5.7459 -5.7417 -0.8238 -0.8234 1.0737 1.0739 1.1500 1.1559 7.2234 7.2318 7.8844 7.8892 7.9699 7.9726 8.5441 8.5643 8.6078 8.6170 8.8776 8.8798 9.1116 9.1183 9.6634 9.7006 9.7486 9.7563 12.7006 12.7052 13.3339 13.3436 13.4147 13.4223 14.7282 14.7320 k = 0.2625-0.0006-0.0006 ( 2747 PWs) bands (ev): -45.9900 -45.9900 -22.7056 -22.7048 -22.0609 -22.0601 -22.0401 -22.0400 -14.3303 -14.3302 -6.5903 -6.5871 -5.8164 -5.8164 -5.7331 -5.7289 -0.8155 -0.8151 1.0812 1.0814 1.1636 1.1696 7.1587 7.1662 7.8676 7.8712 7.9470 7.9497 8.5156 8.5382 8.5830 8.5931 8.8521 8.8533 9.0702 9.0707 9.6432 9.6765 9.7291 9.7363 12.7065 12.7107 13.3897 13.3993 13.4733 13.4808 14.7274 14.7313 k = 0.2750-0.0006-0.0006 ( 2743 PWs) bands (ev): -45.9899 -45.9899 -22.7062 -22.7054 -22.0623 -22.0614 -22.0400 -22.0399 -14.3256 -14.3255 -6.6013 -6.5982 -5.8150 -5.8150 -5.7197 -5.7156 -0.8073 -0.8068 1.0887 1.0889 1.1772 1.1833 7.0946 7.1013 7.8503 7.8528 7.9237 7.9263 8.4882 8.5131 8.5588 8.5698 8.8274 8.8276 9.0253 9.0303 9.6232 9.6527 9.7103 9.7170 12.7124 12.7162 13.4454 13.4549 13.5311 13.5386 14.7265 14.7305 k = 0.2875-0.0007-0.0007 ( 2751 PWs) bands (ev): -45.9899 -45.9899 -22.7069 -22.7061 -22.0637 -22.0628 -22.0399 -22.0399 -14.3210 -14.3209 -6.6125 -6.6095 -5.8137 -5.8136 -5.7060 -5.7019 -0.7993 -0.7987 1.0962 1.0964 1.1907 1.1968 7.0315 7.0375 7.8327 7.8343 7.9001 7.9026 8.4620 8.4891 8.5354 8.5467 8.8027 8.8037 8.9824 8.9922 9.6036 9.6296 9.6922 9.6983 12.7181 12.7216 13.5006 13.5099 13.5878 13.5954 14.7255 14.7297 k = 0.3000-0.0007-0.0007 ( 2749 PWs) bands (ev): -45.9899 -45.9899 -22.7075 -22.7067 -22.0650 -22.0641 -22.0398 -22.0398 -14.3164 -14.3163 -6.6238 -6.6209 -5.8124 -5.8123 -5.6920 -5.6880 -0.7915 -0.7908 1.1035 1.1037 1.2041 1.2101 6.9697 6.9752 7.8149 7.8157 7.8765 7.8788 8.4370 8.4661 8.5126 8.5240 8.7788 8.7811 8.9424 8.9562 9.5846 9.6072 9.6748 9.6803 12.7237 12.7270 13.5551 13.5642 13.6433 13.6508 14.7244 14.7287 k = 0.3125-0.0007-0.0007 ( 2753 PWs) bands (ev): -45.9898 -45.9898 -22.7081 -22.7073 -22.0662 -22.0654 -22.0398 -22.0397 -14.3119 -14.3118 -6.6352 -6.6324 -5.8111 -5.8110 -5.6778 -5.6741 -0.7838 -0.7831 1.1107 1.1109 1.2171 1.2231 6.9098 6.9148 7.7971 7.7972 7.8530 7.8552 8.4133 8.4443 8.4904 8.5015 8.7559 8.7597 8.9056 8.9224 9.5661 9.5858 9.6583 9.6631 12.7292 12.7321 13.6083 13.6172 13.6972 13.7046 14.7233 14.7277 k = 0.3250-0.0007-0.0007 ( 2754 PWs) bands (ev): -45.9898 -45.9898 -22.7087 -22.7079 -22.0675 -22.0667 -22.0397 -22.0397 -14.3076 -14.3075 -6.6464 -6.6438 -5.8098 -5.8098 -5.6638 -5.6601 -0.7765 -0.7758 1.1177 1.1179 1.2297 1.2356 6.8520 6.8565 7.7790 7.7795 7.8300 7.8319 8.3908 8.4234 8.4688 8.4791 8.7342 8.7395 8.8722 8.8910 9.5484 9.5654 9.6425 9.6468 12.7344 12.7372 13.6600 13.6685 13.7492 13.7566 14.7220 14.7265 k = 0.3375-0.0008-0.0008 ( 2754 PWs) bands (ev): -45.9898 -45.9898 -22.7092 -22.7085 -22.0686 -22.0678 -22.0396 -22.0396 -14.3034 -14.3033 -6.6574 -6.6549 -5.8086 -5.8086 -5.6499 -5.6464 -0.7694 -0.7687 1.1245 1.1246 1.2420 1.2477 6.7967 6.8008 7.7611 7.7621 7.8076 7.8093 8.3696 8.4036 8.4480 8.4570 8.7136 8.7205 8.8424 8.8623 9.5314 9.5460 9.6276 9.6314 12.7395 12.7420 13.7098 13.7180 13.7991 13.8063 14.7208 14.7253 k = 0.3500-0.0008-0.0008 ( 2756 PWs) bands (ev): -45.9897 -45.9897 -22.7097 -22.7091 -22.0697 -22.0690 -22.0396 -22.0395 -14.2994 -14.2994 -6.6681 -6.6657 -5.8075 -5.8075 -5.6363 -5.6331 -0.7627 -0.7620 1.1309 1.1311 1.2537 1.2592 6.7442 6.7479 7.7439 7.7452 7.7861 7.7875 8.3498 8.3848 8.4279 8.4352 8.6944 8.7028 8.8161 8.8362 9.5154 9.5279 9.6137 9.6170 12.7443 12.7466 13.7574 13.7652 13.8466 13.8537 14.7194 14.7239 k = 0.3625-0.0008-0.0008 ( 2756 PWs) bands (ev): -45.9897 -45.9897 -22.7102 -22.7096 -22.0708 -22.0701 -22.0395 -22.0395 -14.2957 -14.2956 -6.6783 -6.6761 -5.8064 -5.8064 -5.6233 -5.6202 -0.7564 -0.7557 1.1371 1.1372 1.2648 1.2701 6.6948 6.6981 7.7273 7.7289 7.7657 7.7668 8.3312 8.3669 8.4088 8.4140 8.6766 8.6862 8.7933 8.8128 9.5003 9.5109 9.6006 9.6035 12.7489 12.7509 13.8025 13.8098 13.8914 13.8983 14.7180 14.7225 k = 0.3750-0.0009-0.0008 ( 2762 PWs) bands (ev): -45.9897 -45.9897 -22.7107 -22.7101 -22.0718 -22.0711 -22.0394 -22.0394 -14.2921 -14.2921 -6.6879 -6.6859 -5.8054 -5.8054 -5.6108 -5.6080 -0.7505 -0.7498 1.1428 1.1430 1.2752 1.2802 6.6488 6.6518 7.7117 7.7133 7.7464 7.7473 8.3141 8.3498 8.3907 8.3937 8.6603 8.6708 8.7737 8.7921 9.4864 9.4953 9.5886 9.5911 12.7532 12.7550 13.8447 13.8516 13.9334 13.9401 14.7165 14.7210 k = 0.3875-0.0009-0.0009 ( 2762 PWs) bands (ev): -45.9897 -45.9897 -22.7111 -22.7106 -22.0726 -22.0721 -22.0394 -22.0393 -14.2889 -14.2888 -6.6969 -6.6951 -5.8045 -5.8044 -5.5991 -5.5965 -0.7451 -0.7444 1.1482 1.1483 1.2849 1.2896 6.6064 6.6090 7.6970 7.6987 7.7286 7.7291 8.2983 8.3336 8.3739 8.3747 8.6456 8.6567 8.7572 8.7739 9.4735 9.4810 9.5776 9.5798 12.7572 12.7588 13.8839 13.8902 13.9723 13.9787 14.7150 14.7193 k = 0.4000-0.0009-0.0009 ( 2757 PWs) bands (ev): -45.9896 -45.9896 -22.7115 -22.7110 -22.0734 -22.0729 -22.0393 -22.0393 -14.2859 -14.2858 -6.7052 -6.7036 -5.8036 -5.8036 -5.5882 -5.5859 -0.7401 -0.7394 1.1531 1.1532 1.2938 1.2981 6.5678 6.5702 7.6836 7.6852 7.7123 7.7125 8.2841 8.3181 8.3574 8.3584 8.6325 8.6438 8.7433 8.7582 9.4618 9.4680 9.5677 9.5696 12.7608 12.7623 13.9197 13.9254 14.0079 14.0139 14.7136 14.7177 k = 0.4125-0.0009-0.0009 ( 2758 PWs) bands (ev): -45.9896 -45.9896 -22.7118 -22.7114 -22.0741 -22.0736 -22.0393 -22.0393 -14.2832 -14.2831 -6.7127 -6.7113 -5.8028 -5.8028 -5.5784 -5.5763 -0.7357 -0.7350 1.1575 1.1576 1.3019 1.3057 6.5333 6.5354 7.6714 7.6729 7.6976 7.6976 8.2716 8.3033 8.3421 8.3444 8.6211 8.6321 8.7318 8.7448 9.4514 9.4565 9.5589 9.5605 12.7641 12.7654 13.9520 13.9571 14.0400 14.0455 14.7122 14.7160 k = 0.4250-0.0010-0.0010 ( 2759 PWs) bands (ev): -45.9896 -45.9896 -22.7121 -22.7117 -22.0747 -22.0743 -22.0392 -22.0392 -14.2808 -14.2808 -6.7193 -6.7181 -5.8022 -5.8022 -5.5696 -5.5678 -0.7318 -0.7312 1.1613 1.1614 1.3090 1.3124 6.5031 6.5048 7.6607 7.6619 7.6845 7.6847 8.2607 8.2893 8.3289 8.3320 8.6115 8.6217 8.7224 8.7335 9.4424 9.4465 9.5513 9.5526 12.7670 12.7681 13.9804 13.9849 14.0684 14.0733 14.7108 14.7143 k = 0.4375-0.0010-0.0010 ( 2758 PWs) bands (ev): -45.9896 -45.9896 -22.7123 -22.7120 -22.0753 -22.0749 -22.0392 -22.0392 -14.2788 -14.2788 -6.7250 -6.7240 -5.8016 -5.8016 -5.5620 -5.5605 -0.7284 -0.7279 1.1647 1.1648 1.3152 1.3180 6.4772 6.4787 7.6514 7.6524 7.6732 7.6736 8.2517 8.2764 8.3180 8.3213 8.6036 8.6126 8.7150 8.7241 9.4346 9.4379 9.5448 9.5458 12.7695 12.7704 14.0049 14.0087 14.0928 14.0971 14.7097 14.7127 k = 0.4500-0.0010-0.0010 ( 2756 PWs) bands (ev): -45.9896 -45.9896 -22.7125 -22.7123 -22.0757 -22.0754 -22.0392 -22.0392 -14.2771 -14.2771 -6.7297 -6.7289 -5.8011 -5.8011 -5.5556 -5.5544 -0.7256 -0.7252 1.1675 1.1675 1.3203 1.3227 6.4559 6.4571 7.6437 7.6445 7.6640 7.6644 8.2446 8.2649 8.3093 8.3123 8.5973 8.6049 8.7093 8.7165 9.4283 9.4308 9.5394 9.5403 12.7716 12.7723 14.0252 14.0283 14.1132 14.1168 14.7087 14.7112 k = 0.4625-0.0010-0.0010 ( 2752 PWs) bands (ev): -45.9895 -45.9895 -22.7126 -22.7125 -22.0760 -22.0757 -22.0391 -22.0391 -14.2758 -14.2758 -6.7334 -6.7327 -5.8007 -5.8007 -5.5505 -5.5496 -0.7234 -0.7231 1.1696 1.1697 1.3245 1.3262 6.4392 6.4401 7.6376 7.6382 7.6568 7.6572 8.2396 8.2551 8.3028 8.3052 8.5928 8.5987 8.7052 8.7105 9.4234 9.4252 9.5353 9.5359 12.7733 12.7738 14.0413 14.0436 14.1294 14.1321 14.7079 14.7099 k = 0.4750-0.0011-0.0011 ( 2754 PWs) bands (ev): -45.9895 -45.9895 -22.7128 -22.7126 -22.0762 -22.0760 -22.0391 -22.0391 -14.2748 -14.2748 -6.7360 -6.7356 -5.8005 -5.8005 -5.5468 -5.5462 -0.7218 -0.7216 1.1712 1.1712 1.3275 1.3287 6.4273 6.4279 7.6333 7.6336 7.6516 7.6520 8.2367 8.2471 8.2983 8.3000 8.5898 8.5939 8.7025 8.7061 9.4199 9.4211 9.5323 9.5328 12.7745 12.7748 14.0529 14.0545 14.1412 14.1430 14.7074 14.7088 k = 0.4875-0.0011-0.0011 ( 2756 PWs) bands (ev): -45.9895 -45.9895 -22.7128 -22.7127 -22.0763 -22.0762 -22.0391 -22.0391 -14.2743 -14.2743 -6.7375 -6.7373 -5.8003 -5.8003 -5.5446 -5.5443 -0.7209 -0.7208 1.1722 1.1722 1.3295 1.3301 6.4202 6.4205 7.6307 7.6309 7.6486 7.6488 8.2360 8.2412 8.2958 8.2967 8.5885 8.5906 8.7014 8.7031 9.4179 9.4185 9.5306 9.5308 12.7753 12.7754 14.0601 14.0609 14.1485 14.1494 14.7073 14.7080 k = 0.5000-0.0011-0.0011 ( 2762 PWs) bands (ev): -45.9895 -45.9895 -22.7128 -22.7128 -22.0764 -22.0764 -22.0391 -22.0391 -14.2741 -14.2741 -6.7380 -6.7380 -5.8003 -5.8003 -5.5437 -5.5437 -0.7205 -0.7205 1.1725 1.1725 1.3303 1.3303 6.4179 6.4179 7.6299 7.6299 7.6476 7.6476 8.2375 8.2375 8.2952 8.2952 8.5888 8.5888 8.7015 8.7015 9.4175 9.4175 9.5301 9.5301 12.7756 12.7756 14.0628 14.0628 14.1512 14.1512 14.7075 14.7075 k = 0.5000-0.0011-0.0011 ( 2762 PWs) bands (ev): -45.9895 -45.9895 -22.7128 -22.7128 -22.0764 -22.0764 -22.0391 -22.0391 -14.2741 -14.2741 -6.7380 -6.7380 -5.8003 -5.8003 -5.5437 -5.5437 -0.7205 -0.7205 1.1725 1.1725 1.3303 1.3303 6.4179 6.4179 7.6299 7.6299 7.6476 7.6476 8.2375 8.2375 8.2952 8.2952 8.5888 8.5888 8.7015 8.7015 9.4175 9.4175 9.5301 9.5301 12.7756 12.7756 14.0628 14.0628 14.1512 14.1512 14.7075 14.7075 k = 0.5000 0.0078-0.0100 ( 2752 PWs) bands (ev): -45.9895 -45.9895 -22.7128 -22.7128 -22.0764 -22.0763 -22.0392 -22.0391 -14.2740 -14.2740 -6.7373 -6.7371 -5.8003 -5.7999 -5.5442 -5.5439 -0.7222 -0.7192 1.1698 1.1750 1.3289 1.3304 6.4174 6.4179 7.6255 7.6313 7.6459 7.6513 8.2167 8.2433 8.2722 8.3027 8.5824 8.6136 8.6909 8.7250 9.4005 9.4167 9.5269 9.5439 12.7757 12.7779 14.0620 14.0632 14.1507 14.1519 14.7107 14.7118 k = 0.5000 0.0166-0.0189 ( 2752 PWs) bands (ev): -45.9895 -45.9895 -22.7129 -22.7128 -22.0764 -22.0763 -22.0394 -22.0391 -14.2736 -14.2736 -6.7351 -6.7347 -5.8000 -5.7994 -5.5454 -5.5449 -0.7242 -0.7182 1.1670 1.1773 1.3262 1.3292 6.4162 6.4173 7.6198 7.6283 7.6476 7.6554 8.1823 8.2271 8.2433 8.2974 8.5947 8.6495 8.6959 8.7581 9.3728 9.3975 9.5348 9.5613 12.7782 12.7826 14.0608 14.0632 14.1504 14.1525 14.7215 14.7236 k = 0.5000 0.0255-0.0279 ( 2750 PWs) bands (ev): -45.9895 -45.9895 -22.7131 -22.7128 -22.0765 -22.0763 -22.0396 -22.0393 -14.2730 -14.2730 -6.7314 -6.7308 -5.7995 -5.7985 -5.5474 -5.5466 -0.7265 -0.7175 1.1640 1.1794 1.3223 1.3268 6.4146 6.4162 7.6129 7.6227 7.6510 7.6595 8.1375 8.1787 8.2269 8.2832 8.6207 8.6840 8.7221 8.7979 9.3388 9.3670 9.5472 9.5779 12.7833 12.7898 14.0595 14.0629 14.1502 14.1533 14.7396 14.7427 k = 0.5000 0.0344-0.0368 ( 2748 PWs) bands (ev): -45.9895 -45.9895 -22.7133 -22.7129 -22.0766 -22.0763 -22.0400 -22.0395 -14.2722 -14.2722 -6.7262 -6.7253 -5.7987 -5.7974 -5.5501 -5.5490 -0.7292 -0.7173 1.1607 1.1812 1.3172 1.3232 6.4124 6.4146 7.6049 7.6154 7.6548 7.6633 8.0856 8.1210 8.2080 8.2635 8.6551 8.7134 8.7668 8.8420 9.3007 9.3302 9.5590 9.5917 12.7910 12.7996 14.0581 14.0624 14.1502 14.1541 14.7647 14.7688 k = 0.5000 0.0433-0.0457 ( 2746 PWs) bands (ev): -45.9895 -45.9895 -22.7135 -22.7131 -22.0768 -22.0764 -22.0404 -22.0398 -14.2712 -14.2712 -6.7195 -6.7184 -5.7977 -5.7960 -5.5534 -5.5521 -0.7324 -0.7175 1.1570 1.1824 1.3111 1.3184 6.4097 6.4124 7.5956 7.6069 7.6586 7.6669 8.0290 8.0592 8.1869 8.2408 8.6946 8.7452 8.8177 8.8883 9.2597 9.2895 9.5682 9.6018 12.8017 12.8122 14.0568 14.0618 14.1504 14.1549 14.7966 14.8015 k = 0.5000 0.0522-0.0546 ( 2746 PWs) bands (ev): -45.9895 -45.9895 -22.7137 -22.7132 -22.0769 -22.0765 -22.0409 -22.0401 -14.2699 -14.2699 -6.7113 -6.7100 -5.7963 -5.7943 -5.5574 -5.5558 -0.7359 -0.7182 1.1526 1.1829 1.3042 1.3128 6.4066 6.4098 7.5846 7.5970 7.6620 7.6699 7.9696 7.9958 8.1649 8.2169 8.7373 8.7809 8.8698 8.9355 9.2165 9.2463 9.5740 9.6079 12.8155 12.8276 14.0558 14.0613 14.1509 14.1558 14.8348 14.8405 k = 0.5000 0.0611-0.0635 ( 2750 PWs) bands (ev): -45.9894 -45.9894 -22.7141 -22.7135 -22.0771 -22.0766 -22.0415 -22.0406 -14.2684 -14.2684 -6.7016 -6.7001 -5.7948 -5.7924 -5.5620 -5.5601 -0.7400 -0.7194 1.1476 1.1824 1.2967 1.3063 6.4030 6.4067 7.5714 7.5852 7.6650 7.6725 7.9089 7.9325 8.1429 8.1929 8.7821 8.8201 8.9212 8.9821 9.1720 9.2020 9.5760 9.6099 12.8325 12.8462 14.0553 14.0610 14.1517 14.1569 14.8788 14.8853 k = 0.5000 0.0700-0.0724 ( 2750 PWs) bands (ev): -45.9894 -45.9894 -22.7144 -22.7137 -22.0773 -22.0768 -22.0421 -22.0411 -14.2668 -14.2667 -6.6905 -6.6888 -5.7929 -5.7902 -5.5671 -5.5650 -0.7447 -0.7213 1.1415 1.1802 1.2891 1.2992 6.3991 6.4033 7.5552 7.5709 7.6673 7.6743 7.8486 7.8711 8.1214 8.1695 8.8282 8.8617 8.9701 9.0258 9.1279 9.1590 9.5742 9.6078 12.8529 12.8680 14.0552 14.0611 14.1528 14.1583 14.9283 14.9354 k = 0.5000 0.0789-0.0813 ( 2750 PWs) bands (ev): -45.9894 -45.9894 -22.7148 -22.7140 -22.0776 -22.0769 -22.0428 -22.0417 -14.2649 -14.2648 -6.6779 -6.6760 -5.7908 -5.7878 -5.5727 -5.5703 -0.7500 -0.7238 1.1342 1.1761 1.2818 1.2917 6.3950 6.3995 7.5353 7.5529 7.6688 7.6752 7.7906 7.8130 8.1008 8.1472 8.8746 8.9043 9.0111 9.0554 9.0910 9.1285 9.5687 9.6018 12.8768 12.8931 14.0557 14.0616 14.1545 14.1600 14.9827 14.9903 k = 0.5000 0.0877-0.0902 ( 2752 PWs) bands (ev): -45.9894 -45.9894 -22.7152 -22.7144 -22.0778 -22.0771 -22.0436 -22.0424 -14.2628 -14.2627 -6.6639 -6.6619 -5.7884 -5.7852 -5.5787 -5.5761 -0.7559 -0.7271 1.1255 1.1695 1.2751 1.2839 6.3906 6.3955 7.5104 7.5296 7.6692 7.6749 7.7374 7.7601 8.0815 8.1263 8.9185 8.9434 9.0167 9.0395 9.0942 9.1430 9.5598 9.5921 12.9043 12.9216 14.0569 14.0628 14.1566 14.1622 15.0416 15.0497 k = 0.5000 0.0966-0.0991 ( 2742 PWs) bands (ev): -45.9893 -45.9893 -22.7156 -22.7147 -22.0780 -22.0772 -22.0444 -22.0431 -14.2605 -14.2604 -6.6486 -6.6463 -5.7858 -5.7823 -5.5851 -5.5822 -0.7626 -0.7312 1.1151 1.1600 1.2693 1.2760 6.3860 6.3912 7.4794 7.4992 7.6681 7.6724 7.6925 7.7137 8.0634 8.1068 8.9433 8.9496 9.0189 9.0193 9.1318 9.1812 9.5479 9.5793 12.9354 12.9535 14.0588 14.0646 14.1594 14.1649 15.1046 15.1131 k = 0.5000 0.1055-0.1080 ( 2744 PWs) bands (ev): -45.9893 -45.9893 -22.7161 -22.7151 -22.0783 -22.0775 -22.0454 -22.0440 -14.2580 -14.2580 -6.6319 -6.6295 -5.7830 -5.7792 -5.5917 -5.5886 -0.7701 -0.7362 1.1029 1.1477 1.2639 1.2683 6.3813 6.3868 7.4421 7.4607 7.6514 7.6659 7.6717 7.6757 8.0468 8.0890 8.9085 8.9222 9.0439 9.0590 9.1747 9.2224 9.5336 9.5637 12.9699 12.9886 14.0616 14.0671 14.1629 14.1684 15.1713 15.1801 k = 0.5000 0.1144-0.1169 ( 2742 PWs) bands (ev): -45.9893 -45.9893 -22.7166 -22.7156 -22.0786 -22.0777 -22.0463 -22.0448 -14.2553 -14.2553 -6.6139 -6.6113 -5.7799 -5.7758 -5.5986 -5.5953 -0.7785 -0.7421 1.0888 1.1326 1.2576 1.2620 6.3766 6.3823 7.3995 7.4155 7.6228 7.6416 7.6618 7.6674 8.0316 8.0727 8.8620 8.8774 9.0890 9.1060 9.2175 9.2633 9.5176 9.5462 13.0078 13.0270 14.0651 14.0705 14.1672 14.1726 15.2412 15.2502 k = 0.5000 0.1233-0.1258 ( 2740 PWs) bands (ev): -45.9892 -45.9892 -22.7171 -22.7160 -22.0789 -22.0779 -22.0473 -22.0458 -14.2525 -14.2525 -6.5947 -6.5919 -5.7766 -5.7723 -5.6056 -5.6021 -0.7878 -0.7490 1.0728 1.1150 1.2496 1.2574 6.3719 6.3777 7.3534 7.3662 7.5991 7.6144 7.6555 7.6605 8.0178 8.0579 8.8139 8.8288 9.1378 9.1549 9.2592 9.3031 9.5005 9.5274 13.0488 13.0683 14.0696 14.0748 14.1723 14.1776 15.3140 15.3232 k = 0.5000 0.1322-0.1348 ( 2742 PWs) bands (ev): -45.9892 -45.9892 -22.7177 -22.7166 -22.0792 -22.0782 -22.0484 -22.0468 -14.2495 -14.2495 -6.5742 -6.5713 -5.7731 -5.7685 -5.6126 -5.6090 -0.7980 -0.7569 1.0550 1.0954 1.2408 1.2530 6.3673 6.3731 7.3059 7.3156 7.5787 7.5905 7.6471 7.6516 8.0052 8.0445 8.7657 8.7793 9.1876 9.2044 9.2995 9.3413 9.4834 9.5081 13.0927 13.1125 14.0751 14.0800 14.1784 14.1835 15.3893 15.3987 k = 0.5000 0.1411-0.1437 ( 2744 PWs) bands (ev): -45.9891 -45.9891 -22.7183 -22.7171 -22.0795 -22.0785 -22.0496 -22.0478 -14.2464 -14.2463 -6.5526 -6.5495 -5.7694 -5.7646 -5.6197 -5.6159 -0.8092 -0.7659 1.0354 1.0739 1.2312 1.2481 6.3628 6.3685 7.2588 7.2656 7.5598 7.5688 7.6364 7.6407 7.9936 8.0324 8.7178 8.7298 9.2375 9.2541 9.3382 9.3770 9.4679 9.4894 13.1394 13.1592 14.0815 14.0862 14.1854 14.1904 15.4668 15.4763 k = 0.5000 0.1500-0.1526 ( 2746 PWs) bands (ev): -45.9891 -45.9891 -22.7189 -22.7177 -22.0799 -22.0788 -22.0508 -22.0490 -14.2431 -14.2431 -6.5298 -6.5265 -5.7655 -5.7605 -5.6267 -5.6227 -0.8213 -0.7760 1.0142 1.0509 1.2208 1.2421 6.3584 6.3639 7.2133 7.2176 7.5415 7.5483 7.6233 7.6275 7.9830 8.0214 8.6704 8.6807 9.2871 9.3037 9.3749 9.4066 9.4577 9.4733 13.1884 13.2082 14.0890 14.0934 14.1934 14.1982 15.5462 15.5558 k = 0.5000 0.1589-0.1615 ( 2746 PWs) bands (ev): -45.9891 -45.9891 -22.7196 -22.7183 -22.0802 -22.0791 -22.0520 -22.0501 -14.2397 -14.2397 -6.5059 -6.5026 -5.7615 -5.7562 -5.6335 -5.6294 -0.8345 -0.7873 0.9915 1.0265 1.2092 1.2349 6.3542 6.3594 7.1704 7.1726 7.5226 7.5285 7.6079 7.6121 7.9732 8.0114 8.6239 8.6323 9.3360 9.3528 9.4054 9.4201 9.4544 9.4743 13.2395 13.2593 14.0975 14.1016 14.2023 14.2071 15.6272 15.6368 k = 0.5000 0.1677-0.1704 ( 2750 PWs) bands (ev): -45.9890 -45.9890 -22.7203 -22.7189 -22.0806 -22.0794 -22.0533 -22.0513 -14.2362 -14.2361 -6.4811 -6.4776 -5.7572 -5.7518 -5.6401 -5.6358 -0.8487 -0.7996 0.9674 1.0009 1.1962 1.2260 6.3501 6.3550 7.1303 7.1318 7.5025 7.5089 7.5901 7.5946 7.9639 8.0022 8.5782 8.5847 9.3829 9.4003 9.4101 9.4284 9.4617 9.5008 13.2924 13.3120 14.1071 14.1110 14.2123 14.2169 15.7095 15.7190 k = 0.5000 0.1766-0.1793 ( 2750 PWs) bands (ev): -45.9890 -45.9890 -22.7209 -22.7196 -22.0810 -22.0798 -22.0546 -22.0526 -14.2325 -14.2325 -6.4552 -6.4516 -5.7528 -5.7473 -5.6464 -5.6420 -0.8638 -0.8130 0.9422 0.9742 1.1817 1.2153 6.3461 6.3505 7.0931 7.0963 7.4810 7.4890 7.5703 7.5753 7.9552 7.9937 8.5333 8.5380 9.4005 9.4183 9.4364 9.4488 9.4915 9.5328 13.3468 13.3661 14.1178 14.1215 14.2233 14.2278 15.7928 15.8022 k = 0.5000 0.1855-0.1882 ( 2750 PWs) bands (ev): -45.9889 -45.9889 -22.7216 -22.7202 -22.0814 -22.0801 -22.0559 -22.0538 -14.2288 -14.2288 -6.4285 -6.4248 -5.7483 -5.7426 -5.6524 -5.6479 -0.8800 -0.8276 0.9159 0.9467 1.1654 1.2025 6.3423 6.3461 7.0600 7.0655 7.4578 7.4679 7.5487 7.5543 7.9468 7.9858 8.4894 8.4924 9.3968 9.4144 9.4792 9.4934 9.5261 9.5659 13.4024 13.4214 14.1296 14.1331 14.2353 14.2397 15.8767 15.8861 k = 0.5000 0.1944-0.1971 ( 2750 PWs) bands (ev): -45.9889 -45.9889 -22.7223 -22.7209 -22.0817 -22.0805 -22.0573 -22.0551 -14.2250 -14.2250 -6.4010 -6.3971 -5.7437 -5.7378 -5.6580 -5.6534 -0.8971 -0.8432 0.8888 0.9184 1.1472 1.1875 6.3385 6.3417 7.0317 7.0395 7.4329 7.4452 7.5255 7.5321 7.9388 7.9785 8.4464 8.4481 9.3960 9.4118 9.5226 9.5343 9.5636 9.5996 13.4588 13.4775 14.1426 14.1459 14.2482 14.2526 15.9611 15.9704 k = 0.5000 0.2033-0.2060 ( 2746 PWs) bands (ev): -45.9888 -45.9888 -22.7231 -22.7216 -22.0821 -22.0808 -22.0587 -22.0565 -14.2212 -14.2212 -6.3726 -6.3687 -5.7389 -5.7329 -5.6631 -5.6585 -0.9151 -0.8598 0.8609 0.8895 1.1269 1.1702 6.3346 6.3372 7.0082 7.0185 7.4060 7.4204 7.5012 7.5091 7.9312 7.9716 8.4040 8.4058 9.3990 9.4131 9.5637 9.5706 9.6042 9.6339 13.5158 13.5341 14.1567 14.1597 14.2621 14.2664 16.0457 16.0549 k = 0.5000 0.2122-0.2149 ( 2758 PWs) bands (ev): -45.9888 -45.9888 -22.7239 -22.7223 -22.0825 -22.0812 -22.0601 -22.0579 -14.2173 -14.2172 -6.3436 -6.3396 -5.7341 -5.7280 -5.6677 -5.6630 -0.9340 -0.8775 0.8324 0.8600 1.1045 1.1504 6.3305 6.3326 6.9895 7.0027 7.3771 7.3935 7.4759 7.4854 7.9238 7.9652 8.3625 8.3655 9.4061 9.4187 9.6012 9.6045 9.6464 9.6690 13.5731 13.5910 14.1719 14.1748 14.2768 14.2811 16.1301 16.1391 k = 0.5000 0.2211-0.2238 ( 2746 PWs) bands (ev): -45.9887 -45.9887 -22.7245 -22.7230 -22.0829 -22.0815 -22.0615 -22.0592 -14.2133 -14.2133 -6.3140 -6.3099 -5.7292 -5.7230 -5.6717 -5.6670 -0.9537 -0.8961 0.8034 0.8302 1.0799 1.1282 6.3261 6.3279 6.9757 6.9918 7.3464 7.3647 7.4498 7.4612 7.9167 7.9591 8.3229 8.3272 9.4175 9.4286 9.6330 9.6393 9.6887 9.7051 13.6305 13.6479 14.1882 14.1909 14.2924 14.2966 16.2140 16.2229 k = 0.5000 0.2300-0.2328 ( 2744 PWs) bands (ev): -45.9886 -45.9886 -22.7253 -22.7237 -22.0833 -22.0819 -22.0629 -22.0606 -14.2093 -14.2093 -6.2838 -6.2797 -5.7243 -5.7180 -5.6750 -5.6704 -0.9741 -0.9156 0.7740 0.8000 1.0531 1.1035 6.3213 6.3230 6.9663 6.9857 7.3143 7.3344 7.4228 7.4366 7.9098 7.9534 8.2855 8.2910 9.4330 9.4428 9.6626 9.6723 9.7302 9.7419 13.6877 13.7045 14.2055 14.2080 14.3088 14.3130 16.2971 16.3059 k = 0.5000 0.2388-0.2417 ( 2744 PWs) bands (ev): -45.9886 -45.9886 -22.7260 -22.7245 -22.0837 -22.0823 -22.0643 -22.0620 -14.2053 -14.2053 -6.2532 -6.2490 -5.7194 -5.7131 -5.6777 -5.6732 -0.9953 -0.9360 0.7443 0.7696 1.0242 1.0765 6.3159 6.3178 6.9609 6.9839 7.2816 7.3033 7.3948 7.4115 7.9030 7.9478 8.2507 8.2573 9.4525 9.4610 9.6913 9.7034 9.7707 9.7789 13.7444 13.7607 14.2239 14.2262 14.3259 14.3301 16.3791 16.3877 k = 0.5000 0.2477-0.2506 ( 2740 PWs) bands (ev): -45.9885 -45.9885 -22.7268 -22.7252 -22.0840 -22.0827 -22.0657 -22.0634 -14.2013 -14.2013 -6.2222 -6.2180 -5.7146 -5.7082 -5.6797 -5.6754 -1.0171 -0.9571 0.7146 0.7392 0.9933 1.0471 6.3100 6.3122 6.9587 6.9854 7.2492 7.2727 7.3658 7.3857 7.8962 7.9423 8.2190 8.2266 9.4755 9.4829 9.7192 9.7328 9.8098 9.8155 13.8005 13.8163 14.2432 14.2453 14.3437 14.3478 16.4595 16.4681 k = 0.5000 0.2566-0.2595 ( 2738 PWs) bands (ev): -45.9885 -45.9885 -22.7275 -22.7260 -22.0844 -22.0830 -22.0671 -22.0648 -14.1973 -14.1973 -6.1909 -6.1867 -5.7099 -5.7035 -5.6808 -5.6767 -1.0394 -0.9789 0.6847 0.7087 0.9604 1.0155 6.3036 6.3061 6.9583 6.9887 7.2188 7.2440 7.3355 7.3595 7.8895 7.9368 8.1907 8.1991 9.5019 9.5083 9.7465 9.7610 9.8475 9.8514 13.8557 13.8709 14.2634 14.2653 14.3620 14.3661 16.5379 16.5465 k = 0.5000 0.2655-0.2684 ( 2742 PWs) bands (ev): -45.9884 -45.9884 -22.7283 -22.7267 -22.0848 -22.0835 -22.0685 -22.0662 -14.1933 -14.1933 -6.1595 -6.1552 -5.7054 -5.6990 -5.6811 -5.6773 -1.0622 -1.0014 0.6550 0.6783 0.9258 0.9819 6.2966 6.2994 6.9579 6.9913 7.1924 7.2193 7.3039 7.3333 7.8828 7.9313 8.1660 8.1751 9.5313 9.5368 9.7734 9.7884 9.8837 9.8862 13.9099 13.9246 14.2844 14.2862 14.3809 14.3850 16.6138 16.6224 k = 0.5000 0.2744-0.2773 ( 2744 PWs) bands (ev): -45.9884 -45.9884 -22.7291 -22.7275 -22.0852 -22.0839 -22.0699 -22.0676 -14.1894 -14.1894 -6.1279 -6.1236 -5.7014 -5.6948 -5.6804 -5.6768 -1.0855 -1.0244 0.6255 0.6481 0.8896 0.9465 6.2889 6.2919 6.9551 6.9894 7.1722 7.2014 7.2711 7.3081 7.8763 7.9258 8.1453 8.1547 9.5633 9.5681 9.7999 9.8150 9.9182 9.9199 13.9629 13.9769 14.3061 14.3077 14.4002 14.4042 16.6865 16.6955 k = 0.5000 0.2833-0.2862 ( 2746 PWs) bands (ev): -45.9883 -45.9883 -22.7298 -22.7283 -22.0856 -22.0842 -22.0713 -22.0690 -14.1855 -14.1855 -6.0963 -6.0921 -5.6977 -5.6911 -5.6788 -5.6752 -1.1090 -1.0479 0.5962 0.6183 0.8520 0.9095 6.2805 6.2836 6.9475 6.9796 7.1582 7.1940 7.2370 7.2862 7.8701 7.9203 8.1283 8.1378 9.5976 9.6016 9.8261 9.8411 9.9511 9.9522 14.0145 14.0280 14.3285 14.3300 14.4199 14.4238 16.7555 16.7649 k = 0.5000 0.2922-0.2951 ( 2742 PWs) bands (ev): -45.9882 -45.9882 -22.7305 -22.7290 -22.0859 -22.0846 -22.0727 -22.0704 -14.1817 -14.1817 -6.0649 -6.0607 -5.6945 -5.6877 -5.6763 -5.6725 -1.1327 -1.0718 0.5674 0.5888 0.8133 0.8712 6.2712 6.2743 6.9340 6.9615 7.1458 7.1985 7.2031 7.2715 7.8644 7.9152 8.1150 8.1243 9.6338 9.6372 9.8521 9.8668 9.9822 9.9833 14.0646 14.0774 14.3514 14.3527 14.4398 14.4436 16.8200 16.8300 k = 0.5000 0.3011-0.3040 ( 2748 PWs) bands (ev): -45.9882 -45.9882 -22.7313 -22.7298 -22.0863 -22.0850 -22.0740 -22.0717 -14.1779 -14.1779 -6.0336 -6.0295 -5.6915 -5.6847 -5.6731 -5.6690 -1.1566 -1.0960 0.5390 0.5598 0.7738 0.8317 6.2611 6.2641 6.9150 6.9373 7.1291 7.1656 7.2168 7.2688 7.8594 7.9108 8.1049 8.1139 9.6716 9.6743 9.8780 9.8922 10.0115 10.0130 14.1131 14.1253 14.3748 14.3760 14.4599 14.4636 16.8790 16.8900 k = 0.5000 0.3100-0.3129 ( 2746 PWs) bands (ev): -45.9881 -45.9881 -22.7320 -22.7305 -22.0867 -22.0854 -22.0753 -22.0731 -14.1742 -14.1742 -6.0027 -5.9987 -5.6886 -5.6818 -5.6692 -5.6650 -1.1804 -1.1203 0.5112 0.5313 0.7337 0.7914 6.2499 6.2528 6.8922 6.9099 7.1056 7.1290 7.2411 7.2795 7.8554 7.9073 8.0977 8.1063 9.7106 9.7128 9.9036 9.9174 10.0393 10.0411 14.1598 14.1713 14.3986 14.3996 14.4800 14.4837 16.9316 16.9440 k = 0.5000 0.3188-0.3218 ( 2740 PWs) bands (ev): -45.9881 -45.9881 -22.7326 -22.7312 -22.0870 -22.0857 -22.0765 -22.0743 -14.1706 -14.1706 -5.9721 -5.9683 -5.6855 -5.6788 -5.6650 -5.6607 -1.2042 -1.1449 0.4841 0.5035 0.6934 0.7505 6.2377 6.2404 6.8673 6.8814 7.0769 7.0920 7.2698 7.3011 7.8528 7.9052 8.0929 8.1011 9.7504 9.7522 9.9292 9.9424 10.0655 10.0677 14.2046 14.2154 14.4226 14.4235 14.5002 14.5037 16.9768 16.9910 k = 0.5000 0.3277-0.3307 ( 2742 PWs) bands (ev): -45.9880 -45.9880 -22.7333 -22.7319 -22.0873 -22.0861 -22.0778 -22.0756 -14.1671 -14.1671 -5.9421 -5.9384 -5.6821 -5.6756 -5.6605 -5.6563 -1.2278 -1.1694 0.4578 0.4765 0.6530 0.7094 6.2243 6.2268 6.8419 6.8532 7.0450 7.0550 7.3009 7.3300 7.8516 7.9048 8.0901 8.0979 9.7909 9.7921 9.9547 9.9673 10.0902 10.0926 14.2473 14.2574 14.4468 14.4475 14.5202 14.5236 17.0137 17.0302 k = 0.5000 0.3366-0.3397 ( 2746 PWs) bands (ev): -45.9880 -45.9880 -22.7340 -22.7326 -22.0876 -22.0865 -22.0789 -22.0769 -14.1638 -14.1638 -5.9127 -5.9092 -5.6785 -5.6722 -5.6560 -5.6518 -1.2511 -1.1938 0.4323 0.4502 0.6129 0.6684 6.2098 6.2121 6.8170 6.8261 7.0115 7.0182 7.3333 7.3633 7.8523 7.9062 8.0890 8.0964 9.8316 9.8324 9.9801 9.9921 10.1133 10.1161 14.2880 14.2974 14.4710 14.4717 14.5400 14.5432 17.0415 17.0608 k = 0.5000 0.3455-0.3486 ( 2744 PWs) bands (ev): -45.9879 -45.9879 -22.7346 -22.7332 -22.0879 -22.0868 -22.0801 -22.0780 -14.1605 -14.1605 -5.8840 -5.8808 -5.6746 -5.6685 -5.6515 -5.6475 -1.2740 -1.2181 0.4077 0.4249 0.5733 0.6276 6.1942 6.1963 6.7932 6.8007 6.9775 6.9820 7.3663 7.3986 7.8552 7.9098 8.0890 8.0963 9.8722 9.8727 10.0053 10.0167 10.1348 10.1380 14.3265 14.3351 14.4951 14.4958 14.5595 14.5626 17.0602 17.0824 k = 0.5000 0.3544-0.3575 ( 2736 PWs) bands (ev): -45.9879 -45.9879 -22.7351 -22.7338 -22.0882 -22.0871 -22.0811 -22.0791 -14.1574 -14.1574 -5.8562 -5.8533 -5.6705 -5.6646 -5.6469 -5.6431 -1.2963 -1.2420 0.3841 0.4005 0.5346 0.5874 6.1777 6.1795 6.7710 6.7772 6.9436 6.9466 7.3992 7.4344 7.8603 7.9156 8.0901 8.0973 9.9123 9.9127 10.0305 10.0412 10.1549 10.1584 14.3627 14.3706 14.5190 14.5198 14.5786 14.5815 17.0700 17.0954 k = 0.5000 0.3633-0.3664 ( 2746 PWs) bands (ev): -45.9879 -45.9879 -22.7357 -22.7345 -22.0885 -22.0875 -22.0822 -22.0803 -14.1544 -14.1544 -5.8293 -5.8268 -5.6662 -5.6605 -5.6425 -5.6389 -1.3181 -1.2655 0.3616 0.3771 0.4970 0.5480 6.1602 6.1619 6.7506 6.7558 6.9103 6.9124 7.4312 7.4691 7.8682 7.9238 8.0920 8.0991 9.9517 9.9523 10.0554 10.0655 10.1736 10.1773 14.3966 14.4037 14.5426 14.5435 14.5972 14.5999 17.0719 17.1003 k = 0.5000 0.3722-0.3753 ( 2746 PWs) bands (ev): -45.9878 -45.9878 -22.7363 -22.7351 -22.0888 -22.0878 -22.0831 -22.0813 -14.1516 -14.1516 -5.8035 -5.8014 -5.6617 -5.6562 -5.6381 -5.6348 -1.3390 -1.2885 0.3402 0.3549 0.4607 0.5097 6.1421 6.1436 6.7322 6.7365 6.8779 6.8794 7.4617 7.5019 7.8788 7.9342 8.0945 8.1017 9.9901 9.9910 10.0800 10.0895 10.1908 10.1949 14.4281 14.4345 14.5658 14.5668 14.6152 14.6177 17.0674 17.0985 k = 0.5000 0.3811-0.3842 ( 2744 PWs) bands (ev): -45.9878 -45.9878 -22.7367 -22.7357 -22.0890 -22.0881 -22.0840 -22.0823 -14.1489 -14.1489 -5.7789 -5.7773 -5.6571 -5.6518 -5.6339 -5.6308 -1.3590 -1.3108 0.3200 0.3338 0.4259 0.4728 6.1237 6.1249 6.7157 6.7194 6.8468 6.8481 7.4903 7.5317 7.8925 7.9467 8.0974 8.1048 10.0272 10.0285 10.1043 10.1133 10.2067 10.2111 14.4573 14.4629 14.5883 14.5895 14.6325 14.6349 17.0581 17.0914 k = 0.5000 0.3899-0.3931 ( 2750 PWs) bands (ev): -45.9877 -45.9877 -22.7372 -22.7362 -22.0893 -22.0885 -22.0849 -22.0833 -14.1464 -14.1464 -5.7556 -5.7546 -5.6526 -5.6473 -5.6298 -5.6270 -1.3781 -1.3324 0.3012 0.3140 0.3930 0.4374 6.1050 6.1060 6.7012 6.7043 6.8172 6.8184 7.5165 7.5582 7.9090 7.9612 8.1005 8.1082 10.0629 10.0645 10.1280 10.1365 10.2212 10.2260 14.4842 14.4890 14.6101 14.6113 14.6491 14.6512 17.0457 17.0806 k = 0.5000 0.3988-0.4020 ( 2752 PWs) bands (ev): -45.9877 -45.9877 -22.7377 -22.7367 -22.0895 -22.0888 -22.0856 -22.0842 -14.1441 -14.1441 -5.7338 -5.7333 -5.6481 -5.6428 -5.6258 -5.6234 -1.3960 -1.3531 0.2836 0.2955 0.3621 0.4038 6.0865 6.0873 6.6884 6.6911 6.7894 6.7906 7.5401 7.5809 7.9282 7.9772 8.1039 8.1118 10.0968 10.0988 10.1511 10.1592 10.2344 10.2396 14.5087 14.5128 14.6310 14.6323 14.6648 14.6667 17.0316 17.0677 k = 0.5000 0.4077-0.4109 ( 2748 PWs) bands (ev): -45.9877 -45.9877 -22.7381 -22.7372 -22.0897 -22.0891 -22.0863 -22.0849 -14.1419 -14.1419 -5.7140 -5.7131 -5.6438 -5.6382 -5.6220 -5.6199 -1.4126 -1.3727 0.2674 0.2782 0.3334 0.3722 6.0685 6.0691 6.6774 6.6796 6.7635 6.7647 7.5611 7.5999 7.9493 7.9943 8.1072 8.1156 10.1287 10.1310 10.1734 10.1812 10.2463 10.2520 14.5309 14.5344 14.6507 14.6520 14.6795 14.6813 17.0172 17.0539 k = 0.5000 0.4166-0.4198 ( 2750 PWs) bands (ev): -45.9876 -45.9876 -22.7384 -22.7376 -22.0899 -22.0894 -22.0869 -22.0857 -14.1399 -14.1399 -5.6963 -5.6943 -5.6397 -5.6335 -5.6184 -5.6166 -1.4279 -1.3912 0.2526 0.2624 0.3070 0.3428 6.0511 6.0516 6.6678 6.6698 6.7397 6.7409 7.5794 7.6154 7.9718 8.0119 8.1106 8.1193 10.1582 10.1610 10.1946 10.2022 10.2571 10.2633 14.5509 14.5538 14.6691 14.6704 14.6933 14.6949 17.0035 17.0402 k = 0.5000 0.4255-0.4287 ( 2750 PWs) bands (ev): -45.9876 -45.9876 -22.7388 -22.7380 -22.0901 -22.0897 -22.0874 -22.0863 -14.1381 -14.1381 -5.6806 -5.6773 -5.6359 -5.6287 -5.6150 -5.6135 -1.4418 -1.4084 0.2394 0.2480 0.2832 0.3156 6.0348 6.0352 6.6597 6.6614 6.7181 6.7193 7.5953 7.6279 7.9947 8.0294 8.1138 8.1230 10.1852 10.1884 10.2147 10.2221 10.2666 10.2735 14.5687 14.5711 14.6860 14.6872 14.7059 14.7073 16.9914 17.0276 k = 0.5000 0.4344-0.4376 ( 2746 PWs) bands (ev): -45.9876 -45.9876 -22.7390 -22.7384 -22.0903 -22.0899 -22.0878 -22.0869 -14.1366 -14.1365 -5.6672 -5.6622 -5.6323 -5.6237 -5.6118 -5.6105 -1.4540 -1.4242 0.2276 0.2351 0.2620 0.2910 6.0197 6.0200 6.6529 6.6543 6.6988 6.6999 7.6090 7.6378 8.0173 8.0461 8.1168 8.1265 10.2094 10.2129 10.2334 10.2406 10.2750 10.2826 14.5843 14.5864 14.7013 14.7024 14.7174 14.7186 16.9815 17.0164 k = 0.5000 0.4433-0.4466 ( 2746 PWs) bands (ev): -45.9876 -45.9876 -22.7393 -22.7387 -22.0904 -22.0902 -22.0882 -22.0874 -14.1352 -14.1351 -5.6560 -5.6493 -5.6287 -5.6185 -5.6090 -5.6078 -1.4646 -1.4386 0.2174 0.2237 0.2436 0.2689 6.0061 6.0063 6.6472 6.6484 6.6818 6.6828 7.6206 7.6455 8.0387 8.0616 8.1196 8.1297 10.2305 10.2344 10.2506 10.2576 10.2824 10.2909 14.5979 14.5995 14.7148 14.7157 14.7278 14.7287 16.9744 17.0069 k = 0.5000 0.4522-0.4555 ( 2758 PWs) bands (ev): -45.9876 -45.9876 -22.7395 -22.7390 -22.0907 -22.0905 -22.0885 -22.0878 -14.1340 -14.1340 -5.6473 -5.6394 -5.6246 -5.6132 -5.6065 -5.6051 -1.4735 -1.4513 0.2087 0.2138 0.2281 0.2496 5.9941 5.9943 6.6425 6.6435 6.6673 6.6682 7.6304 7.6512 8.0583 8.0754 8.1220 8.1326 10.2482 10.2524 10.2660 10.2726 10.2890 10.2982 14.6094 14.6107 14.7263 14.7270 14.7369 14.7376 16.9703 16.9991 k = 0.5000 0.4611-0.4644 ( 2768 PWs) bands (ev): -45.9876 -45.9876 -22.7397 -22.7393 -22.0909 -22.0908 -22.0887 -22.0882 -14.1330 -14.1330 -5.6407 -5.6332 -5.6194 -5.6083 -5.6043 -5.6026 -1.4805 -1.4624 0.2017 0.2055 0.2154 0.2330 5.9840 5.9841 6.6388 6.6396 6.6552 6.6560 7.6385 7.6553 8.0755 8.0870 8.1242 8.1349 10.2625 10.2671 10.2793 10.2850 10.2953 10.3047 14.6189 14.6199 14.7359 14.7363 14.7447 14.7451 16.9691 16.9925 k = 0.5000 0.4699-0.4733 ( 2784 PWs) bands (ev): -45.9876 -45.9876 -22.7399 -22.7396 -22.0911 -22.0910 -22.0889 -22.0886 -14.1322 -14.1322 -5.6358 -5.6300 -5.6137 -5.6048 -5.6018 -5.6002 -1.4857 -1.4717 0.1964 0.1988 0.2057 0.2194 5.9759 5.9759 6.6360 6.6366 6.6457 6.6463 7.6452 7.6579 8.0899 8.0964 8.1261 8.1365 10.2735 10.2781 10.2900 10.2937 10.3022 10.3102 14.6264 14.6271 14.7433 14.7436 14.7511 14.7513 16.9707 16.9865 k = 0.5000 0.4788-0.4822 ( 2800 PWs) bands (ev): -45.9876 -45.9876 -22.7401 -22.7399 -22.0913 -22.0913 -22.0891 -22.0888 -14.1316 -14.1316 -5.6324 -5.6284 -5.6090 -5.6033 -5.5988 -5.5981 -1.4889 -1.4792 0.1926 0.1938 0.1990 0.2087 5.9698 5.9698 6.6340 6.6344 6.6387 6.6391 7.6504 7.6592 8.1007 8.1034 8.1282 8.1371 10.2815 10.2854 10.2978 10.2992 10.3093 10.3147 14.6319 14.6324 14.7487 14.7487 14.7560 14.7561 16.9737 16.9813 k = 0.5000 0.4877-0.4911 ( 2800 PWs) bands (ev): -45.9875 -45.9875 -22.7401 -22.7400 -22.0914 -22.0914 -22.0891 -22.0890 -14.1312 -14.1312 -5.6301 -5.6279 -5.6058 -5.6029 -5.5965 -5.5964 -1.4902 -1.4848 0.1904 0.1907 0.1955 0.2011 5.9659 5.9659 6.6327 6.6329 6.6343 6.6346 7.6545 7.6594 8.1075 8.1081 8.1306 8.1365 10.2867 10.2892 10.3025 10.3028 10.3147 10.3175 14.6355 14.6357 14.7520 14.7520 14.7592 14.7592 16.9758 16.9774 k = 0.5000 0.4966-0.5000 ( 2800 PWs) bands (ev): -45.9875 -45.9875 -22.7401 -22.7401 -22.0914 -22.0914 -22.0891 -22.0891 -14.1311 -14.1311 -5.6286 -5.6282 -5.6039 -5.6033 -5.5956 -5.5956 -1.4895 -1.4884 0.1894 0.1894 0.1952 0.1964 5.9642 5.9642 6.6320 6.6320 6.6328 6.6328 7.6573 7.6583 8.1102 8.1102 8.1334 8.1347 10.2896 10.2901 10.3045 10.3045 10.3177 10.3183 14.6370 14.6371 14.7534 14.7534 14.7606 14.7606 16.9757 16.9757 k = 0.5023 0.4989 0.4955 ( 2800 PWs) bands (ev): -45.9875 -45.9875 -22.7401 -22.7401 -22.0914 -22.0914 -22.0891 -22.0891 -14.1311 -14.1311 -5.6286 -5.6282 -5.6039 -5.6033 -5.5956 -5.5956 -1.4895 -1.4884 0.1894 0.1894 0.1952 0.1964 5.9642 5.9642 6.6320 6.6320 6.6328 6.6328 7.6573 7.6583 8.1102 8.1102 8.1334 8.1347 10.2896 10.2901 10.3045 10.3045 10.3177 10.3183 14.6370 14.6371 14.7534 14.7534 14.7606 14.7606 16.9757 16.9757 k = 0.5000 0.4989 0.4977 ( 2800 PWs) bands (ev): -45.9875 -45.9875 -22.7401 -22.7401 -22.0914 -22.0914 -22.0891 -22.0891 -14.1311 -14.1311 -5.6284 -5.6284 -5.6035 -5.6035 -5.5955 -5.5955 -1.4890 -1.4890 0.1893 0.1893 0.1957 0.1957 5.9642 5.9642 6.6319 6.6319 6.6327 6.6327 7.6578 7.6578 8.1103 8.1103 8.1341 8.1341 10.2899 10.2899 10.3046 10.3046 10.3181 10.3181 14.6371 14.6371 14.7535 14.7535 14.7606 14.7606 16.9756 16.9756 k = 0.5000 0.4989 0.4977 ( 2800 PWs) bands (ev): -45.9875 -45.9875 -22.7401 -22.7401 -22.0914 -22.0914 -22.0891 -22.0891 -14.1311 -14.1311 -5.6284 -5.6284 -5.6035 -5.6035 -5.5955 -5.5955 -1.4890 -1.4890 0.1893 0.1893 0.1957 0.1957 5.9642 5.9642 6.6319 6.6319 6.6327 6.6327 7.6578 7.6578 8.1103 8.1103 8.1341 8.1341 10.2899 10.2899 10.3046 10.3046 10.3181 10.3181 14.6371 14.6371 14.7535 14.7535 14.7606 14.7606 16.9756 16.9757 k = 0.4926 0.4915 0.4904 ( 2800 PWs) bands (ev): -45.9875 -45.9875 -22.7401 -22.7401 -22.0914 -22.0914 -22.0890 -22.0890 -14.1312 -14.1312 -5.6290 -5.6290 -5.6042 -5.6042 -5.5957 -5.5957 -1.4880 -1.4880 0.1901 0.1901 0.1974 0.1974 5.9655 5.9655 6.6327 6.6327 6.6335 6.6335 7.6573 7.6573 8.1100 8.1101 8.1323 8.1323 10.2884 10.2884 10.3029 10.3030 10.3173 10.3173 14.6363 14.6363 14.7524 14.7525 14.7596 14.7596 16.9777 16.9783 k = 0.4853 0.4842 0.4831 ( 2800 PWs) bands (ev): -45.9876 -45.9876 -22.7400 -22.7400 -22.0913 -22.0913 -22.0890 -22.0890 -14.1315 -14.1315 -5.6311 -5.6311 -5.6061 -5.6061 -5.5964 -5.5964 -1.4850 -1.4850 0.1925 0.1925 0.2023 0.2023 5.9695 5.9695 6.6349 6.6349 6.6357 6.6358 7.6558 7.6558 8.1093 8.1094 8.1269 8.1269 10.2837 10.2837 10.2980 10.2981 10.3151 10.3151 14.6337 14.6337 14.7494 14.7496 14.7566 14.7566 16.9844 16.9859 k = 0.4779 0.4769 0.4758 ( 2800 PWs) bands (ev): -45.9876 -45.9876 -22.7399 -22.7399 -22.0912 -22.0912 -22.0888 -22.0888 -14.1320 -14.1320 -5.6349 -5.6349 -5.6089 -5.6089 -5.5974 -5.5974 -1.4801 -1.4801 0.1965 0.1965 0.2104 0.2104 5.9761 5.9761 6.6387 6.6387 6.6395 6.6397 7.6532 7.6532 8.1080 8.1083 8.1180 8.1180 10.2760 10.2760 10.2899 10.2901 10.3115 10.3115 14.6294 14.6294 14.7443 14.7447 14.7517 14.7517 16.9956 16.9973 k = 0.4706 0.4695 0.4685 ( 2800 PWs) bands (ev): -45.9876 -45.9876 -22.7397 -22.7397 -22.0910 -22.0910 -22.0887 -22.0887 -14.1328 -14.1328 -5.6407 -5.6407 -5.6122 -5.6122 -5.5988 -5.5988 -1.4732 -1.4732 0.2020 0.2020 0.2218 0.2218 5.9853 5.9853 6.6440 6.6440 6.6448 6.6451 7.6495 7.6495 8.1059 8.1059 8.1063 8.1067 10.2651 10.2651 10.2788 10.2790 10.3066 10.3066 14.6235 14.6235 14.7373 14.7378 14.7448 14.7448 17.0111 17.0133 k = 0.4632 0.4622 0.4611 ( 2764 PWs) bands (ev): -45.9876 -45.9876 -22.7394 -22.7394 -22.0907 -22.0907 -22.0882 -22.0882 -14.1338 -14.1338 -5.6488 -5.6488 -5.6158 -5.6158 -5.6006 -5.6006 -1.4645 -1.4645 0.2091 0.2091 0.2363 0.2363 5.9971 5.9971 6.6507 6.6507 6.6517 6.6520 7.6446 7.6446 8.0909 8.0909 8.1042 8.1046 10.2513 10.2513 10.2647 10.2649 10.3005 10.3005 14.6159 14.6159 14.7284 14.7290 14.7359 14.7359 17.0305 17.0333 k = 0.4559 0.4548 0.4538 ( 2746 PWs) bands (ev): -45.9876 -45.9876 -22.7390 -22.7390 -22.0903 -22.0903 -22.0879 -22.0879 -14.1350 -14.1350 -5.6592 -5.6592 -5.6194 -5.6194 -5.6028 -5.6028 -1.4539 -1.4539 0.2177 0.2178 0.2539 0.2539 6.0115 6.0115 6.6590 6.6590 6.6600 6.6604 7.6384 7.6384 8.0732 8.0732 8.1016 8.1021 10.2345 10.2345 10.2478 10.2481 10.2933 10.2933 14.6066 14.6066 14.7175 14.7182 14.7251 14.7251 17.0537 17.0569 k = 0.4485 0.4475 0.4465 ( 2734 PWs) bands (ev): -45.9876 -45.9876 -22.7387 -22.7387 -22.0899 -22.0899 -22.0875 -22.0875 -14.1364 -14.1364 -5.6719 -5.6719 -5.6231 -5.6231 -5.6054 -5.6054 -1.4417 -1.4417 0.2278 0.2279 0.2744 0.2744 6.0283 6.0283 6.6687 6.6687 6.6698 6.6702 7.6308 7.6308 8.0535 8.0535 8.0986 8.0992 10.2150 10.2150 10.2283 10.2287 10.2848 10.2848 14.5958 14.5958 14.7046 14.7055 14.7123 14.7123 17.0797 17.0836 k = 0.4412 0.4402 0.4392 ( 2743 PWs) bands (ev): -45.9876 -45.9876 -22.7384 -22.7384 -22.0896 -22.0895 -22.0872 -22.0872 -14.1380 -14.1380 -5.6866 -5.6866 -5.6268 -5.6268 -5.6084 -5.6083 -1.4279 -1.4279 0.2394 0.2394 0.2979 0.2979 6.0475 6.0475 6.6798 6.6798 6.6810 6.6815 7.6216 7.6216 8.0322 8.0322 8.0951 8.0958 10.1931 10.1931 10.2065 10.2069 10.2753 10.2753 14.5833 14.5833 14.6899 14.6909 14.6977 14.6977 17.1082 17.1126 k = 0.4338 0.4328 0.4319 ( 2743 PWs) bands (ev): -45.9876 -45.9876 -22.7380 -22.7380 -22.0891 -22.0891 -22.0868 -22.0868 -14.1398 -14.1398 -5.7033 -5.7033 -5.6308 -5.6308 -5.6116 -5.6116 -1.4127 -1.4127 0.2523 0.2523 0.3241 0.3241 6.0689 6.0689 6.6923 6.6923 6.6937 6.6943 7.6106 7.6106 8.0098 8.0098 8.0913 8.0921 10.1689 10.1689 10.1826 10.1830 10.2645 10.2645 14.5693 14.5693 14.6732 14.6744 14.6812 14.6812 17.1382 17.1433 k = 0.4265 0.4255 0.4245 ( 2743 PWs) bands (ev): -45.9877 -45.9877 -22.7376 -22.7376 -22.0887 -22.0887 -22.0864 -22.0864 -14.1419 -14.1419 -5.7216 -5.7216 -5.6350 -5.6350 -5.6153 -5.6153 -1.3960 -1.3960 0.2665 0.2666 0.3529 0.3529 6.0926 6.0926 6.7062 6.7062 6.7079 6.7085 7.5976 7.5976 7.9872 7.9872 8.0870 8.0880 10.1427 10.1427 10.1568 10.1573 10.2527 10.2527 14.5538 14.5538 14.6548 14.6561 14.6628 14.6628 17.1691 17.1748 k = 0.4191 0.4182 0.4172 ( 2743 PWs) bands (ev): -45.9877 -45.9877 -22.7372 -22.7372 -22.0881 -22.0881 -22.0859 -22.0859 -14.1441 -14.1441 -5.7415 -5.7415 -5.6394 -5.6394 -5.6192 -5.6192 -1.3782 -1.3782 0.2821 0.2821 0.3843 0.3843 6.1183 6.1183 6.7215 6.7215 6.7234 6.7241 7.5826 7.5826 7.9647 7.9647 8.0825 8.0835 10.1148 10.1148 10.1295 10.1300 10.2398 10.2398 14.5368 14.5368 14.6345 14.6359 14.6427 14.6427 17.1998 17.2062 k = 0.4118 0.4108 0.4099 ( 2749 PWs) bands (ev): -45.9877 -45.9877 -22.7367 -22.7367 -22.0876 -22.0876 -22.0854 -22.0854 -14.1465 -14.1465 -5.7627 -5.7627 -5.6440 -5.6440 -5.6235 -5.6235 -1.3592 -1.3592 0.2988 0.2989 0.4179 0.4179 6.1459 6.1459 6.7382 6.7382 6.7402 6.7410 7.5655 7.5655 7.9432 7.9432 8.0776 8.0788 10.0854 10.0854 10.1009 10.1014 10.2258 10.2258 14.5183 14.5183 14.6124 14.6140 14.6208 14.6208 17.2293 17.2362 k = 0.4044 0.4035 0.4026 ( 2749 PWs) bands (ev): -45.9878 -45.9878 -22.7362 -22.7362 -22.0870 -22.0870 -22.0848 -22.0848 -14.1492 -14.1492 -5.7851 -5.7851 -5.6489 -5.6489 -5.6280 -5.6280 -1.3393 -1.3393 0.3167 0.3168 0.4536 0.4536 6.1753 6.1753 6.7561 6.7561 6.7584 6.7593 7.5464 7.5464 7.9230 7.9230 8.0724 8.0737 10.0549 10.0549 10.0714 10.0718 10.2108 10.2108 14.4984 14.4984 14.5886 14.5903 14.5971 14.5971 17.2562 17.2633 k = 0.3971 0.3962 0.3953 ( 2740 PWs) bands (ev): -45.9878 -45.9878 -22.7356 -22.7356 -22.0863 -22.0863 -22.0841 -22.0841 -14.1520 -14.1520 -5.8086 -5.8086 -5.6540 -5.6540 -5.6328 -5.6328 -1.3185 -1.3185 0.3357 0.3357 0.4912 0.4912 6.2062 6.2062 6.7753 6.7753 6.7779 6.7789 7.5255 7.5255 7.9047 7.9047 8.0671 8.0685 10.0235 10.0235 10.0411 10.0415 10.1949 10.1949 14.4770 14.4770 14.5632 14.5650 14.5718 14.5718 17.2791 17.2864 k = 0.3897 0.3888 0.3879 ( 2746 PWs) bands (ev): -45.9879 -45.9879 -22.7350 -22.7350 -22.0856 -22.0856 -22.0835 -22.0835 -14.1551 -14.1551 -5.8330 -5.8330 -5.6593 -5.6593 -5.6378 -5.6378 -1.2970 -1.2970 0.3556 0.3557 0.5305 0.5305 6.2384 6.2384 6.7957 6.7957 6.7987 6.7998 7.5032 7.5032 7.8884 7.8884 8.0615 8.0631 9.9915 9.9915 10.0103 10.0108 10.1780 10.1780 14.4543 14.4543 14.5360 14.5380 14.5449 14.5449 17.2967 17.3042 k = 0.3824 0.3815 0.3806 ( 2746 PWs) bands (ev): -45.9879 -45.9879 -22.7344 -22.7344 -22.0849 -22.0849 -22.0828 -22.0828 -14.1583 -14.1583 -5.8582 -5.8582 -5.6648 -5.6648 -5.6430 -5.6430 -1.2750 -1.2750 0.3765 0.3765 0.5712 0.5712 6.2716 6.2716 6.8173 6.8173 6.8206 6.8218 7.4802 7.4802 7.8742 7.8742 8.0559 8.0576 9.9591 9.9591 9.9794 9.9799 10.1602 10.1602 14.4302 14.4302 14.5073 14.5094 14.5164 14.5164 17.3081 17.3154 k = 0.3750 0.3742 0.3733 ( 2740 PWs) bands (ev): -45.9879 -45.9879 -22.7337 -22.7337 -22.0841 -22.0841 -22.0820 -22.0820 -14.1617 -14.1617 -5.8840 -5.8840 -5.6704 -5.6704 -5.6484 -5.6484 -1.2525 -1.2525 0.3981 0.3982 0.6132 0.6132 6.3055 6.3055 6.8401 6.8401 6.8438 6.8451 7.4572 7.4572 7.8622 7.8622 8.0502 8.0521 9.9266 9.9266 9.9487 9.9491 10.1416 10.1416 14.4048 14.4048 14.4771 14.4793 14.4864 14.4864 17.3122 17.3193 k = 0.3676 0.3668 0.3660 ( 2740 PWs) bands (ev): -45.9880 -45.9880 -22.7330 -22.7330 -22.0833 -22.0833 -22.0812 -22.0812 -14.1653 -14.1653 -5.9102 -5.9102 -5.6762 -5.6762 -5.6540 -5.6540 -1.2298 -1.2298 0.4205 0.4206 0.6560 0.6560 6.3396 6.3396 6.8639 6.8639 6.8681 6.8695 7.4351 7.4351 7.8523 7.8523 8.0445 8.0466 9.8942 9.8942 9.9182 9.9186 10.1221 10.1221 14.3780 14.3780 14.4453 14.4477 14.4550 14.4550 17.3083 17.3151 k = 0.3603 0.3595 0.3587 ( 2740 PWs) bands (ev): -45.9881 -45.9881 -22.7323 -22.7323 -22.0824 -22.0824 -22.0804 -22.0804 -14.1691 -14.1691 -5.9368 -5.9368 -5.6821 -5.6821 -5.6598 -5.6598 -1.2069 -1.2069 0.4435 0.4436 0.6995 0.6995 6.3737 6.3737 6.8888 6.8888 6.8934 6.8950 7.4150 7.4150 7.8444 7.8444 8.0390 8.0413 9.8621 9.8621 9.8884 9.8887 10.1019 10.1019 14.3499 14.3499 14.4122 14.4146 14.4221 14.4221 17.2965 17.3027 k = 0.3529 0.3521 0.3513 ( 2734 PWs) bands (ev): -45.9881 -45.9881 -22.7315 -22.7315 -22.0815 -22.0815 -22.0796 -22.0796 -14.1731 -14.1731 -5.9636 -5.9636 -5.6880 -5.6880 -5.6656 -5.6656 -1.1839 -1.1839 0.4670 0.4671 0.7433 0.7433 6.4071 6.4071 6.9147 6.9147 6.9198 6.9215 7.3977 7.3977 7.8384 7.8384 8.0337 8.0362 9.8307 9.8307 9.8593 9.8596 10.0811 10.0811 14.3205 14.3205 14.3777 14.3802 14.3879 14.3879 17.2769 17.2825 k = 0.3456 0.3448 0.3440 ( 2728 PWs) bands (ev): -45.9882 -45.9882 -22.7307 -22.7307 -22.0806 -22.0806 -22.0787 -22.0787 -14.1772 -14.1772 -5.9905 -5.9905 -5.6941 -5.6941 -5.6716 -5.6716 -1.1610 -1.1610 0.4909 0.4910 0.7871 0.7871 6.4395 6.4395 6.9415 6.9415 6.9472 6.9490 7.3845 7.3845 7.8342 7.8342 8.0287 8.0314 9.8001 9.8001 9.8313 9.8316 10.0596 10.0596 14.2898 14.2898 14.3419 14.3446 14.3525 14.3525 17.2502 17.2551 k = 0.3382 0.3375 0.3367 ( 2740 PWs) bands (ev): -45.9882 -45.9882 -22.7299 -22.7299 -22.0797 -22.0797 -22.0778 -22.0778 -14.1815 -14.1815 -6.0174 -6.0174 -5.7002 -5.7002 -5.6777 -5.6776 -1.1383 -1.1383 0.5152 0.5153 0.8307 0.8307 6.4702 6.4702 6.9692 6.9692 6.9754 6.9774 7.3762 7.3762 7.8317 7.8317 8.0242 8.0271 9.7704 9.7704 9.8045 9.8047 10.0375 10.0375 14.2578 14.2578 14.3049 14.3076 14.3159 14.3159 17.2169 17.2212 k = 0.3309 0.3301 0.3294 ( 2743 PWs) bands (ev): -45.9883 -45.9883 -22.7291 -22.7291 -22.0787 -22.0787 -22.0769 -22.0769 -14.1860 -14.1860 -6.0441 -6.0441 -5.7063 -5.7063 -5.6838 -5.6837 -1.1158 -1.1158 0.5396 0.5397 0.8737 0.8737 6.4990 6.4990 6.9977 6.9977 7.0046 7.0067 7.3738 7.3738 7.8308 7.8308 8.0202 8.0233 9.7420 9.7420 9.7790 9.7791 10.0148 10.0148 14.2246 14.2246 14.2667 14.2696 14.2781 14.2781 17.1779 17.1815 k = 0.3235 0.3228 0.3221 ( 2734 PWs) bands (ev): -45.9883 -45.9883 -22.7282 -22.7282 -22.0777 -22.0777 -22.0759 -22.0759 -14.1907 -14.1907 -6.0706 -6.0706 -5.7125 -5.7125 -5.6899 -5.6899 -1.0938 -1.0938 0.5642 0.5643 0.9159 0.9159 6.5254 6.5254 7.0270 7.0270 7.0346 7.0369 7.3781 7.3781 7.8315 7.8315 8.0169 8.0202 9.7148 9.7148 9.7550 9.7551 9.9917 9.9917 14.1902 14.1902 14.2274 14.2304 14.2393 14.2393 17.1338 17.1367 k = 0.3162 0.3155 0.3147 ( 2743 PWs) bands (ev): -45.9884 -45.9884 -22.7273 -22.7273 -22.0767 -22.0767 -22.0750 -22.0750 -14.1954 -14.1954 -6.0967 -6.0967 -5.7186 -5.7186 -5.6961 -5.6960 -1.0723 -1.0723 0.5887 0.5888 0.9568 0.9568 6.5493 6.5493 7.0570 7.0570 7.0653 7.0678 7.3895 7.3895 7.8338 7.8338 8.0143 8.0180 9.6891 9.6891 9.7326 9.7326 9.9682 9.9682 14.1546 14.1546 14.1871 14.1903 14.1996 14.1996 17.0856 17.0869 k = 0.3088 0.3081 0.3074 ( 2737 PWs) bands (ev): -45.9885 -45.9885 -22.7264 -22.7264 -22.0757 -22.0757 -22.0739 -22.0739 -14.2004 -14.2004 -6.1224 -6.1224 -5.7246 -5.7246 -5.7022 -5.7022 -1.0514 -1.0514 0.6131 0.6133 0.9962 0.9962 6.5708 6.5708 7.0877 7.0877 7.0967 7.0994 7.4083 7.4083 7.8376 7.8376 8.0127 8.0166 9.6651 9.6651 9.7119 9.7119 9.9442 9.9442 14.1178 14.1178 14.1459 14.1492 14.1590 14.1590 17.0328 17.0330 k = 0.3015 0.3008 0.3001 ( 2737 PWs) bands (ev): -45.9885 -45.9885 -22.7255 -22.7255 -22.0746 -22.0746 -22.0729 -22.0729 -14.2055 -14.2055 -6.1476 -6.1476 -5.7306 -5.7306 -5.7083 -5.7083 -1.0312 -1.0312 0.6374 0.6375 1.0339 1.0339 6.5904 6.5904 7.1190 7.1190 7.1288 7.1317 7.4344 7.4344 7.8431 7.8431 8.0122 8.0164 9.6427 9.6427 9.6930 9.6931 9.9200 9.9200 14.0798 14.0798 14.1039 14.1072 14.1176 14.1176 16.9761 16.9763 k = 0.2941 0.2935 0.2928 ( 2737 PWs) bands (ev): -45.9886 -45.9886 -22.7246 -22.7246 -22.0735 -22.0735 -22.0719 -22.0719 -14.2107 -14.2107 -6.1721 -6.1721 -5.7365 -5.7365 -5.7144 -5.7144 -1.0117 -1.0117 0.6613 0.6614 1.0695 1.0695 6.6086 6.6086 7.1509 7.1509 7.1615 7.1646 7.4675 7.4675 7.8502 7.8502 8.0129 8.0173 9.6222 9.6222 9.6761 9.6762 9.8956 9.8956 14.0408 14.0408 14.0610 14.0645 14.0755 14.0755 16.9165 16.9166 k = 0.2868 0.2861 0.2855 ( 2743 PWs) bands (ev): -45.9887 -45.9887 -22.7236 -22.7236 -22.0725 -22.0725 -22.0709 -22.0709 -14.2161 -14.2161 -6.1960 -6.1960 -5.7423 -5.7423 -5.7204 -5.7204 -0.9931 -0.9931 0.6847 0.6849 1.1028 1.1028 6.6261 6.6261 7.1832 7.1832 7.1947 7.1980 7.5071 7.5071 7.8589 7.8589 8.0149 8.0196 9.6037 9.6037 9.6610 9.6612 9.8709 9.8709 14.0007 14.0007 14.0175 14.0210 14.0327 14.0327 16.8545 16.8545 k = 0.2794 0.2788 0.2781 ( 2743 PWs) bands (ev): -45.9887 -45.9887 -22.7227 -22.7227 -22.0714 -22.0714 -22.0698 -22.0698 -14.2215 -14.2215 -6.2191 -6.2191 -5.7480 -5.7480 -5.7264 -5.7264 -0.9755 -0.9755 0.7077 0.7078 1.1336 1.1336 6.6437 6.6437 7.2160 7.2160 7.2284 7.2320 7.5526 7.5526 7.8692 7.8692 8.0183 8.0233 9.5871 9.5871 9.6480 9.6482 9.8461 9.8461 13.9596 13.9596 13.9733 13.9770 13.9894 13.9894 16.7904 16.7904 k = 0.2721 0.2714 0.2708 ( 2743 PWs) bands (ev): -45.9888 -45.9888 -22.7217 -22.7217 -22.0702 -22.0702 -22.0687 -22.0687 -14.2271 -14.2271 -6.2414 -6.2414 -5.7536 -5.7536 -5.7322 -5.7322 -0.9588 -0.9588 0.7301 0.7302 1.1616 1.1616 6.6622 6.6622 7.2492 7.2492 7.2626 7.2664 7.6033 7.6033 7.8813 7.8813 8.0232 8.0285 9.5726 9.5726 9.6370 9.6372 9.8212 9.8212 13.9176 13.9176 13.9286 13.9323 13.9456 13.9456 16.7244 16.7244 k = 0.2647 0.2641 0.2635 ( 2746 PWs) bands (ev): -45.9889 -45.9889 -22.7207 -22.7207 -22.0691 -22.0691 -22.0676 -22.0676 -14.2328 -14.2328 -6.2628 -6.2628 -5.7590 -5.7590 -5.7380 -5.7380 -0.9432 -0.9432 0.7517 0.7519 1.1868 1.1868 6.6823 6.6823 7.2827 7.2827 7.2971 7.3012 7.6585 7.6585 7.8951 7.8952 8.0297 8.0354 9.5602 9.5602 9.6280 9.6283 9.7963 9.7963 13.8747 13.8747 13.8834 13.8872 13.9014 13.9014 16.6570 16.6570 k = 0.2574 0.2568 0.2562 ( 2746 PWs) bands (ev): -45.9889 -45.9889 -22.7198 -22.7198 -22.0680 -22.0680 -22.0665 -22.0665 -14.2386 -14.2386 -6.2834 -6.2834 -5.7642 -5.7642 -5.7436 -5.7436 -0.9288 -0.9288 0.7726 0.7728 1.2089 1.2089 6.7045 6.7045 7.3164 7.3164 7.3321 7.3364 7.7177 7.7177 7.9108 7.9108 8.0380 8.0440 9.5500 9.5500 9.6211 9.6215 9.7714 9.7714 13.8310 13.8310 13.8378 13.8417 13.8568 13.8568 16.5881 16.5881 k = 0.2500 0.2494 0.2489 ( 2746 PWs) bands (ev): -45.9890 -45.9890 -22.7188 -22.7188 -22.0669 -22.0669 -22.0654 -22.0654 -14.2445 -14.2445 -6.3030 -6.3030 -5.7693 -5.7693 -5.7491 -5.7491 -0.9154 -0.9154 0.7927 0.7928 1.2279 1.2279 6.7293 6.7293 7.3503 7.3503 7.3674 7.3720 7.7803 7.7803 7.9282 7.9282 8.0480 8.0543 9.5419 9.5419 9.6162 9.6166 9.7465 9.7465 13.7867 13.7867 13.7919 13.7959 13.8118 13.8118 16.5181 16.5181 k = 0.2426 0.2421 0.2415 ( 2746 PWs) bands (ev): -45.9891 -45.9891 -22.7178 -22.7178 -22.0658 -22.0658 -22.0643 -22.0643 -14.2505 -14.2505 -6.3216 -6.3216 -5.7742 -5.7742 -5.7545 -5.7544 -0.9033 -0.9033 0.8118 0.8120 1.2438 1.2438 6.7572 6.7572 7.3844 7.3844 7.4031 7.4078 7.8457 7.8457 7.9476 7.9476 8.0599 8.0664 9.5361 9.5361 9.6134 9.6139 9.7218 9.7218 13.7418 13.7418 13.7457 13.7498 13.7666 13.7666 16.4472 16.4472 k = 0.2353 0.2348 0.2342 ( 2746 PWs) bands (ev): -45.9892 -45.9892 -22.7168 -22.7168 -22.0646 -22.0646 -22.0632 -22.0632 -14.2565 -14.2565 -6.3392 -6.3392 -5.7789 -5.7789 -5.7596 -5.7596 -0.8923 -0.8923 0.8300 0.8302 1.2565 1.2565 6.7882 6.7882 7.4186 7.4186 7.4390 7.4440 7.9129 7.9129 7.9697 7.9697 8.0736 8.0804 9.5324 9.5324 9.6126 9.6131 9.6973 9.6973 13.6965 13.6965 13.6994 13.7035 13.7212 13.7212 16.3756 16.3756 k = 0.2279 0.2274 0.2269 ( 2737 PWs) bands (ev): -45.9892 -45.9892 -22.7158 -22.7158 -22.0635 -22.0635 -22.0620 -22.0620 -14.2626 -14.2626 -6.3559 -6.3559 -5.7834 -5.7834 -5.7647 -5.7646 -0.8826 -0.8826 0.8472 0.8474 1.2661 1.2661 6.8225 6.8225 7.4528 7.4528 7.4751 7.4804 7.9755 7.9755 8.0003 8.0003 8.0891 8.0962 9.5310 9.5310 9.6138 9.6143 9.6730 9.6730 13.6509 13.6509 13.6529 13.6572 13.6756 13.6756 16.3033 16.3033 k = 0.2206 0.2201 0.2196 ( 2737 PWs) bands (ev): -45.9893 -45.9893 -22.7148 -22.7148 -22.0624 -22.0624 -22.0609 -22.0609 -14.2688 -14.2688 -6.3715 -6.3715 -5.7877 -5.7877 -5.7695 -5.7695 -0.8742 -0.8742 0.8633 0.8635 1.2726 1.2726 6.8602 6.8602 7.4869 7.4869 7.5115 7.5170 8.0105 8.0105 8.0623 8.0623 8.1066 8.1139 9.5317 9.5317 9.6170 9.6175 9.6490 9.6490 13.6051 13.6051 13.6064 13.6107 13.6299 13.6299 16.2306 16.2307 k = 0.2132 0.2128 0.2123 ( 2737 PWs) bands (ev): -45.9894 -45.9894 -22.7138 -22.7138 -22.0613 -22.0613 -22.0598 -22.0598 -14.2749 -14.2749 -6.3860 -6.3860 -5.7918 -5.7918 -5.7742 -5.7742 -0.8670 -0.8670 0.8784 0.8785 1.2762 1.2762 6.9011 6.9011 7.5208 7.5208 7.5481 7.5537 8.0381 8.0381 8.1259 8.1335 8.1351 8.1351 9.5345 9.5345 9.6220 9.6225 9.6253 9.6253 13.5591 13.5591 13.5599 13.5643 13.5842 13.5842 16.1578 16.1578 k = 0.2059 0.2054 0.2050 ( 2737 PWs) bands (ev): -45.9894 -45.9894 -22.7128 -22.7128 -22.0602 -22.0602 -22.0587 -22.0587 -14.2811 -14.2811 -6.3996 -6.3996 -5.7957 -5.7957 -5.7787 -5.7787 -0.8610 -0.8610 0.8923 0.8925 1.2770 1.2770 6.9451 6.9451 7.5545 7.5545 7.5847 7.5905 8.0665 8.0665 8.1471 8.1549 8.2103 8.2103 9.5394 9.5394 9.6021 9.6021 9.6288 9.6294 13.5132 13.5132 13.5136 13.5180 13.5385 13.5385 16.0848 16.0848 k = 0.1985 0.1981 0.1976 ( 2749 PWs) bands (ev): -45.9895 -45.9895 -22.7119 -22.7119 -22.0591 -22.0591 -22.0576 -22.0576 -14.2873 -14.2873 -6.4121 -6.4121 -5.7994 -5.7994 -5.7830 -5.7830 -0.8562 -0.8562 0.9051 0.9053 1.2751 1.2751 6.9921 6.9921 7.5879 7.5879 7.6213 7.6273 8.0964 8.0964 8.1702 8.1781 8.2870 8.2870 9.5461 9.5461 9.5794 9.5794 9.6374 9.6380 13.4673 13.4674 13.4674 13.4719 13.4930 13.4930 16.0119 16.0119 k = 0.1912 0.1907 0.1903 ( 2749 PWs) bands (ev): -45.9896 -45.9896 -22.7110 -22.7110 -22.0580 -22.0580 -22.0566 -22.0566 -14.2934 -14.2934 -6.4237 -6.4237 -5.8028 -5.8028 -5.7871 -5.7871 -0.8526 -0.8526 0.9169 0.9170 1.2708 1.2708 7.0416 7.0416 7.6208 7.6208 7.6579 7.6639 8.1280 8.1280 8.1951 8.2032 8.3648 8.3648 9.5521 9.5521 9.5598 9.5598 9.6478 9.6483 13.4214 13.4218 13.4218 13.4259 13.4476 13.4476 15.9393 15.9393 k = 0.1838 0.1834 0.1830 ( 2743 PWs) bands (ev): -45.9896 -45.9896 -22.7100 -22.7100 -22.0570 -22.0570 -22.0555 -22.0555 -14.2996 -14.2996 -6.4342 -6.4342 -5.8061 -5.8061 -5.7911 -5.7911 -0.8501 -0.8501 0.9275 0.9276 1.2642 1.2642 7.0934 7.0934 7.6531 7.6531 7.6942 7.7004 8.1614 8.1614 8.2219 8.2300 8.4433 8.4433 9.5340 9.5340 9.5667 9.5667 9.6597 9.6601 13.3756 13.3765 13.3765 13.3803 13.4026 13.4026 15.8671 15.8682 k = 0.1765 0.1761 0.1757 ( 2731 PWs) bands (ev): -45.9897 -45.9897 -22.7091 -22.7091 -22.0559 -22.0559 -22.0544 -22.0544 -14.3057 -14.3057 -6.4438 -6.4438 -5.8091 -5.8091 -5.7948 -5.7948 -0.8487 -0.8487 0.9370 0.9372 1.2557 1.2557 7.1471 7.1471 7.6848 7.6848 7.7302 7.7364 8.1965 8.1965 8.2506 8.2587 8.5225 8.5225 9.5128 9.5128 9.5790 9.5790 9.6730 9.6735 13.3303 13.3317 13.3317 13.3349 13.3580 13.3580 15.7958 15.7972 k = 0.1691 0.1687 0.1684 ( 2731 PWs) bands (ev): -45.9897 -45.9897 -22.7082 -22.7082 -22.0549 -22.0549 -22.0533 -22.0533 -14.3117 -14.3117 -6.4524 -6.4524 -5.8119 -5.8119 -5.7984 -5.7983 -0.8484 -0.8484 0.9455 0.9457 1.2453 1.2453 7.2024 7.2024 7.7156 7.7156 7.7657 7.7718 8.2334 8.2334 8.2812 8.2892 8.6020 8.6020 9.4920 9.4920 9.5931 9.5931 9.6878 9.6882 13.2853 13.2873 13.2873 13.2900 13.3140 13.3140 15.7248 15.7248 k = 0.1618 0.1614 0.1610 ( 2731 PWs) bands (ev): -45.9898 -45.9898 -22.7073 -22.7073 -22.0539 -22.0539 -22.0523 -22.0523 -14.3176 -14.3176 -6.4601 -6.4601 -5.8146 -5.8146 -5.8017 -5.8017 -0.8490 -0.8490 0.9530 0.9532 1.2334 1.2334 7.2587 7.2587 7.7456 7.7456 7.8005 7.8065 8.2719 8.2719 8.3135 8.3215 8.6816 8.6816 9.4718 9.4718 9.6087 9.6087 9.7038 9.7042 13.2408 13.2436 13.2436 13.2455 13.2705 13.2705 15.6549 15.6549 k = 0.1544 0.1541 0.1537 ( 2731 PWs) bands (ev): -45.9899 -45.9899 -22.7065 -22.7065 -22.0530 -22.0530 -22.0514 -22.0514 -14.3235 -14.3235 -6.4670 -6.4670 -5.8170 -5.8170 -5.8049 -5.8048 -0.8505 -0.8505 0.9596 0.9597 1.2203 1.2203 7.3156 7.3156 7.7745 7.7745 7.8344 7.8403 8.3121 8.3121 8.3477 8.3555 8.7611 8.7611 9.4523 9.4523 9.6257 9.6257 9.7209 9.7213 13.1968 13.2006 13.2006 13.2016 13.2278 13.2278 15.5861 15.5861 k = 0.1471 0.1467 0.1464 ( 2737 PWs) bands (ev): -45.9899 -45.9899 -22.7057 -22.7057 -22.0521 -22.0521 -22.0504 -22.0504 -14.3292 -14.3292 -6.4731 -6.4731 -5.8193 -5.8193 -5.8078 -5.8078 -0.8529 -0.8529 0.9652 0.9653 1.2060 1.2060 7.3728 7.3728 7.8025 7.8025 7.8672 7.8729 8.3538 8.3538 8.3837 8.3912 8.8402 8.8402 9.4334 9.4334 9.6439 9.6439 9.7390 9.7393 13.1534 13.1582 13.1584 13.1584 13.1860 13.1860 15.5187 15.5187 k = 0.1397 0.1394 0.1391 ( 2743 PWs) bands (ev): -45.9900 -45.9900 -22.7049 -22.7049 -22.0512 -22.0512 -22.0495 -22.0495 -14.3348 -14.3348 -6.4784 -6.4784 -5.8213 -5.8213 -5.8106 -5.8106 -0.8560 -0.8560 0.9699 0.9700 1.1909 1.1909 7.4296 7.4296 7.8294 7.8294 7.8987 7.9042 8.3969 8.3969 8.4213 8.4286 8.9187 8.9187 9.4152 9.4152 9.6631 9.6631 9.7579 9.7581 13.1107 13.1155 13.1169 13.1169 13.1453 13.1453 15.4527 15.4528 k = 0.1324 0.1321 0.1318 ( 2743 PWs) bands (ev): -45.9900 -45.9900 -22.7041 -22.7041 -22.0503 -22.0503 -22.0486 -22.0486 -14.3403 -14.3403 -6.4830 -6.4830 -5.8232 -5.8232 -5.8132 -5.8132 -0.8598 -0.8598 0.9738 0.9740 1.1752 1.1752 7.4856 7.4856 7.8553 7.8553 7.9289 7.9341 8.4412 8.4412 8.4605 8.4675 8.9964 8.9964 9.3978 9.3978 9.6832 9.6832 9.7774 9.7776 13.0688 13.0735 13.0762 13.0762 13.1059 13.1059 15.3885 15.3891 k = 0.1250 0.1247 0.1244 ( 2737 PWs) bands (ev): -45.9901 -45.9901 -22.7034 -22.7034 -22.0495 -22.0495 -22.0478 -22.0478 -14.3455 -14.3455 -6.4869 -6.4869 -5.8249 -5.8249 -5.8156 -5.8156 -0.8641 -0.8641 0.9770 0.9772 1.1591 1.1591 7.5404 7.5404 7.8803 7.8803 7.9575 7.9623 8.4865 8.4865 8.5011 8.5077 9.0728 9.0728 9.3811 9.3811 9.7039 9.7039 9.7973 9.7975 13.0277 13.0323 13.0364 13.0364 13.0679 13.0679 15.3259 15.3267 k = 0.1176 0.1174 0.1171 ( 2725 PWs) bands (ev): -45.9901 -45.9901 -22.7026 -22.7026 -22.0486 -22.0486 -22.0469 -22.0469 -14.3506 -14.3506 -6.4901 -6.4901 -5.8265 -5.8265 -5.8179 -5.8179 -0.8689 -0.8689 0.9796 0.9797 1.1429 1.1429 7.5934 7.5934 7.9044 7.9044 7.9844 7.9890 8.5324 8.5324 8.5429 8.5490 9.1477 9.1477 9.3653 9.3653 9.7250 9.7250 9.8175 9.8176 12.9875 12.9921 12.9974 12.9974 13.0316 13.0316 15.2655 15.2656 k = 0.1103 0.1100 0.1098 ( 2734 PWs) bands (ev): -45.9902 -45.9902 -22.7020 -22.7020 -22.0479 -22.0479 -22.0462 -22.0462 -14.3555 -14.3555 -6.4929 -6.4929 -5.8279 -5.8279 -5.8200 -5.8200 -0.8741 -0.8741 0.9815 0.9816 1.1267 1.1267 7.6440 7.6440 7.9278 7.9278 8.0096 8.0138 8.5788 8.5788 8.5855 8.5912 9.2208 9.2208 9.3502 9.3502 9.7464 9.7464 9.8378 9.8378 12.9484 12.9529 12.9593 12.9593 12.9971 12.9971 15.2072 15.2073 k = 0.1029 0.1027 0.1025 ( 2752 PWs) bands (ev): -45.9902 -45.9902 -22.7014 -22.7014 -22.0473 -22.0473 -22.0455 -22.0455 -14.3602 -14.3602 -6.4951 -6.4951 -5.8291 -5.8291 -5.8219 -5.8219 -0.8795 -0.8795 0.9829 0.9830 1.1106 1.1106 7.6918 7.6918 7.9507 7.9507 8.0330 8.0369 8.6252 8.6252 8.6287 8.6339 9.2916 9.2916 9.3361 9.3361 9.7679 9.7679 9.8578 9.8578 12.9104 12.9148 12.9222 12.9222 12.9647 12.9647 15.1515 15.1516 k = 0.0956 0.0954 0.0952 ( 2755 PWs) bands (ev): -45.9903 -45.9903 -22.7008 -22.7008 -22.0466 -22.0466 -22.0448 -22.0448 -14.3646 -14.3646 -6.4968 -6.4968 -5.8303 -5.8303 -5.8236 -5.8236 -0.8851 -0.8851 0.9838 0.9839 1.0950 1.0950 7.7362 7.7362 7.9733 7.9733 8.0547 8.0582 8.6713 8.6713 8.6720 8.6768 9.3227 9.3227 9.3599 9.3599 9.7892 9.7892 9.8775 9.8776 12.8738 12.8781 12.8863 12.8863 12.9343 12.9343 15.0984 15.0992 k = 0.0882 0.0880 0.0878 ( 2749 PWs) bands (ev): -45.9903 -45.9903 -22.7002 -22.7002 -22.0460 -22.0460 -22.0441 -22.0441 -14.3688 -14.3688 -6.4982 -6.4982 -5.8313 -5.8313 -5.8252 -5.8252 -0.8907 -0.8907 0.9843 0.9844 1.0799 1.0799 7.7768 7.7768 7.9958 7.9958 8.0746 8.0777 8.7150 8.7167 8.7167 8.7194 9.3104 9.3104 9.4249 9.4249 9.8101 9.8101 9.8966 9.8968 12.8386 12.8428 12.8517 12.8517 12.9061 12.9061 15.0481 15.0482 k = 0.0809 0.0807 0.0805 ( 2749 PWs) bands (ev): -45.9903 -45.9903 -22.6997 -22.6997 -22.0454 -22.0454 -22.0435 -22.0435 -14.3727 -14.3727 -6.4992 -6.4992 -5.8321 -5.8321 -5.8267 -5.8267 -0.8964 -0.8964 0.9846 0.9847 1.0655 1.0655 7.8131 7.8131 8.0183 8.0183 8.0927 8.0955 8.7573 8.7609 8.7609 8.7612 9.2989 9.2989 9.4865 9.4865 9.8306 9.8306 9.9149 9.9152 12.8051 12.8091 12.8185 12.8185 12.8802 12.8802 15.0013 15.0017 k = 0.0735 0.0734 0.0732 ( 2749 PWs) bands (ev): -45.9904 -45.9904 -22.6992 -22.6992 -22.0449 -22.0449 -22.0429 -22.0429 -14.3763 -14.3763 -6.4999 -6.4999 -5.8329 -5.8329 -5.8280 -5.8280 -0.9019 -0.9019 0.9845 0.9846 1.0519 1.0519 7.8450 7.8450 8.0409 8.0409 8.1091 8.1116 8.7983 8.8019 8.8036 8.8036 9.2884 9.2884 9.5442 9.5442 9.8503 9.8503 9.9323 9.9326 12.7735 12.7772 12.7871 12.7871 12.8565 12.8565 14.9570 14.9574 k = 0.0662 0.0660 0.0659 ( 2755 PWs) bands (ev): -45.9904 -45.9904 -22.6988 -22.6988 -22.0444 -22.0444 -22.0424 -22.0424 -14.3796 -14.3796 -6.5004 -6.5004 -5.8336 -5.8336 -5.8291 -5.8291 -0.9072 -0.9072 0.9843 0.9843 1.0392 1.0392 7.8723 7.8723 8.0634 8.0634 8.1238 8.1260 8.8377 8.8408 8.8442 8.8442 9.2788 9.2788 9.5974 9.5974 9.8692 9.8692 9.9486 9.9489 12.7438 12.7473 12.7576 12.7576 12.8351 12.8351 14.9165 14.9172 k = 0.0588 0.0587 0.0586 ( 2773 PWs) bands (ev): -45.9905 -45.9905 -22.6985 -22.6985 -22.0440 -22.0440 -22.0421 -22.0421 -14.3826 -14.3826 -6.5007 -6.5007 -5.8342 -5.8342 -5.8302 -5.8302 -0.9121 -0.9121 0.9839 0.9840 1.0276 1.0276 7.8953 7.8953 8.0855 8.0855 8.1368 8.1387 8.8747 8.8774 8.8822 8.8822 9.2702 9.2702 9.6458 9.6458 9.8872 9.8872 9.9636 9.9639 12.7165 12.7197 12.7303 12.7303 12.8160 12.8160 14.8797 14.8798 k = 0.0515 0.0514 0.0512 ( 2767 PWs) bands (ev): -45.9905 -45.9905 -22.6981 -22.6981 -22.0436 -22.0436 -22.0417 -22.0417 -14.3853 -14.3853 -6.5008 -6.5008 -5.8347 -5.8347 -5.8311 -5.8311 -0.9167 -0.9167 0.9834 0.9835 1.0171 1.0171 7.9143 7.9143 8.1065 8.1065 8.1483 8.1499 8.9090 8.9113 8.9173 8.9173 9.2626 9.2626 9.6889 9.6889 9.9041 9.9041 9.9772 9.9775 12.6917 12.6945 12.7054 12.7054 12.7992 12.7992 14.8467 14.8471 k = 0.0441 0.0440 0.0439 ( 2767 PWs) bands (ev): -45.9905 -45.9905 -22.6978 -22.6978 -22.0433 -22.0433 -22.0413 -22.0413 -14.3876 -14.3876 -6.5008 -6.5008 -5.8351 -5.8351 -5.8318 -5.8318 -0.9209 -0.9209 0.9829 0.9830 1.0079 1.0079 7.9298 7.9298 8.1260 8.1260 8.1581 8.1594 8.9399 8.9419 8.9488 8.9488 9.2559 9.2559 9.7263 9.7263 9.9196 9.9196 9.9892 9.9895 12.6696 12.6721 12.6832 12.6832 12.7847 12.7847 14.8178 14.8183 k = 0.0368 0.0367 0.0366 ( 2767 PWs) bands (ev): -45.9905 -45.9905 -22.6976 -22.6976 -22.0431 -22.0431 -22.0409 -22.0409 -14.3896 -14.3896 -6.5008 -6.5008 -5.8354 -5.8354 -5.8325 -5.8325 -0.9245 -0.9245 0.9824 0.9824 1.0000 1.0000 7.9422 7.9422 8.1434 8.1434 8.1664 8.1675 8.9671 8.9687 8.9764 8.9764 9.2503 9.2503 9.7579 9.7579 9.9338 9.9338 9.9995 9.9998 12.6505 12.6526 12.6639 12.6639 12.7725 12.7725 14.7929 14.7931 k = 0.0294 0.0293 0.0293 ( 2770 PWs) bands (ev): -45.9905 -45.9905 -22.6974 -22.6974 -22.0428 -22.0428 -22.0407 -22.0407 -14.3912 -14.3912 -6.5007 -6.5007 -5.8357 -5.8357 -5.8330 -5.8330 -0.9275 -0.9275 0.9819 0.9820 0.9934 0.9934 7.9518 7.9518 8.1583 8.1583 8.1731 8.1740 8.9901 8.9914 8.9996 8.9996 9.2457 9.2457 9.7835 9.7835 9.9461 9.9461 10.0080 10.0083 12.6345 12.6363 12.6478 12.6478 12.7626 12.7626 14.7723 14.7724 k = 0.0221 0.0220 0.0220 ( 2780 PWs) bands (ev): -45.9905 -45.9905 -22.6973 -22.6973 -22.0427 -22.0427 -22.0406 -22.0406 -14.3925 -14.3925 -6.5006 -6.5006 -5.8359 -5.8359 -5.8334 -5.8334 -0.9299 -0.9299 0.9815 0.9816 0.9882 0.9882 7.9591 7.9591 8.1702 8.1702 8.1784 8.1790 9.0085 9.0094 9.0181 9.0181 9.2421 9.2421 9.8032 9.8032 9.9563 9.9563 10.0147 10.0149 12.6219 12.6233 12.6350 12.6350 12.7549 12.7549 14.7563 14.7563 k = 0.0147 0.0147 0.0146 ( 2780 PWs) bands (ev): -45.9906 -45.9906 -22.6971 -22.6971 -22.0425 -22.0425 -22.0404 -22.0404 -14.3935 -14.3935 -6.5006 -6.5006 -5.8360 -5.8360 -5.8337 -5.8337 -0.9317 -0.9317 0.9812 0.9813 0.9845 0.9845 7.9641 7.9641 8.1789 8.1789 8.1822 8.1826 9.0218 9.0225 9.0315 9.0315 9.2396 9.2396 9.8170 9.8170 9.9640 9.9640 10.0196 10.0197 12.6129 12.6138 12.6258 12.6258 12.7495 12.7495 14.7447 14.7450 k = 0.0074 0.0073 0.0073 ( 2777 PWs) bands (ev): -45.9906 -45.9906 -22.6971 -22.6971 -22.0425 -22.0425 -22.0403 -22.0403 -14.3940 -14.3940 -6.5005 -6.5005 -5.8361 -5.8361 -5.8338 -5.8338 -0.9327 -0.9327 0.9811 0.9811 0.9823 0.9823 7.9670 7.9670 8.1842 8.1842 8.1845 8.1847 9.0300 9.0304 9.0397 9.0397 9.2381 9.2381 9.8252 9.8252 9.9689 9.9689 10.0225 10.0226 12.6075 12.6080 12.6201 12.6201 12.7462 12.7462 14.7379 14.7380 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9906 -45.9906 -22.6970 -22.6970 -22.0424 -22.0424 -22.0403 -22.0403 -14.3942 -14.3942 -6.5005 -6.5005 -5.8361 -5.8361 -5.8339 -5.8339 -0.9331 -0.9331 0.9810 0.9810 0.9815 0.9815 7.9680 7.9680 8.1853 8.1853 8.1859 8.1859 9.0329 9.0329 9.0424 9.0424 9.2375 9.2375 9.8279 9.8279 9.9705 9.9705 10.0235 10.0235 12.6059 12.6059 12.6183 12.6183 12.7451 12.7451 14.7354 14.7354 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9906 -45.9906 -22.6970 -22.6970 -22.0424 -22.0424 -22.0403 -22.0403 -14.3942 -14.3942 -6.5005 -6.5005 -5.8361 -5.8361 -5.8339 -5.8339 -0.9331 -0.9331 0.9810 0.9810 0.9815 0.9815 7.9680 7.9680 8.1853 8.1853 8.1859 8.1859 9.0329 9.0329 9.0424 9.0424 9.2375 9.2375 9.8279 9.8279 9.9705 9.9705 10.0235 10.0235 12.6059 12.6059 12.6183 12.6183 12.7451 12.7451 14.7354 14.7362 k = 0.0089-0.0000-0.0089 ( 2777 PWs) bands (ev): -45.9906 -45.9906 -22.6971 -22.6970 -22.0425 -22.0425 -22.0404 -22.0403 -14.3940 -14.3940 -6.5007 -6.5003 -5.8363 -5.8359 -5.8338 -5.8338 -0.9328 -0.9327 0.9813 0.9815 0.9816 0.9822 7.9648 7.9690 8.1808 8.1833 8.1856 8.1874 9.0311 9.0312 9.0395 9.0419 9.2349 9.2367 9.8097 9.8409 9.9536 9.9829 10.0241 10.0247 12.6068 12.6072 12.6185 12.6211 12.7452 12.7471 14.7370 14.7380 k = 0.0178-0.0000-0.0179 ( 2769 PWs) bands (ev): -45.9906 -45.9906 -22.6972 -22.6970 -22.0425 -22.0425 -22.0405 -22.0403 -14.3935 -14.3934 -6.5009 -6.5003 -5.8364 -5.8356 -5.8337 -5.8337 -0.9317 -0.9316 0.9816 0.9818 0.9836 0.9845 7.9594 7.9678 8.1723 8.1789 8.1836 8.1861 9.0253 9.0260 9.0338 9.0384 9.2290 9.2325 9.7874 9.8470 9.9357 9.9885 10.0250 10.0291 12.6084 12.6111 12.6234 12.6269 12.7476 12.7512 14.7404 14.7411 k = 0.0267-0.0001-0.0268 ( 2765 PWs) bands (ev): -45.9905 -45.9905 -22.6973 -22.6971 -22.0426 -22.0426 -22.0406 -22.0404 -14.3926 -14.3925 -6.5012 -6.5002 -5.8364 -5.8352 -5.8335 -5.8334 -0.9300 -0.9298 0.9821 0.9824 0.9870 0.9882 7.9515 7.9643 8.1601 8.1718 8.1795 8.1828 9.0146 9.0162 9.0258 9.0323 9.2204 9.2256 9.7613 9.8426 9.9206 9.9877 10.0254 10.0358 12.6097 12.6164 12.6336 12.6369 12.7522 12.7574 14.7460 14.7471 k = 0.0356-0.0001-0.0357 ( 2765 PWs) bands (ev): -45.9905 -45.9905 -22.6975 -22.6972 -22.0428 -22.0428 -22.0408 -22.0405 -14.3913 -14.3912 -6.5016 -6.5003 -5.8364 -5.8347 -5.8332 -5.8330 -0.9276 -0.9273 0.9827 0.9832 0.9917 0.9933 7.9412 7.9583 8.1445 8.1616 8.1735 8.1779 8.9988 9.0016 9.0158 9.0235 9.2099 9.2168 9.7320 9.8252 9.9115 9.9830 10.0250 10.0421 12.6117 12.6222 12.6482 12.6521 12.7590 12.7655 14.7539 14.7554 k = 0.0445-0.0001-0.0446 ( 2765 PWs) bands (ev): -45.9905 -45.9905 -22.6977 -22.6974 -22.0432 -22.0430 -22.0410 -22.0407 -14.3897 -14.3896 -6.5020 -6.5004 -5.8363 -5.8341 -5.8328 -5.8325 -0.9245 -0.9242 0.9836 0.9841 0.9978 0.9997 7.9280 7.9496 8.1256 8.1483 8.1658 8.1716 8.9783 8.9821 9.0031 9.0116 9.1986 9.2070 9.6996 9.7972 9.9064 9.9757 10.0234 10.0462 12.6150 12.6286 12.6671 12.6720 12.7682 12.7758 14.7638 14.7657 k = 0.0535-0.0001-0.0536 ( 2763 PWs) bands (ev): -45.9905 -45.9905 -22.6980 -22.6976 -22.0436 -22.0433 -22.0412 -22.0408 -14.3877 -14.3876 -6.5025 -6.5005 -5.8362 -5.8334 -5.8324 -5.8317 -0.9209 -0.9204 0.9846 0.9853 1.0052 1.0073 7.9117 7.9379 8.1038 8.1319 8.1567 8.1639 8.9532 8.9580 8.9873 8.9961 9.1877 9.1972 9.6643 9.7623 9.9019 9.9665 10.0203 10.0477 12.6198 12.6360 12.6900 12.6960 12.7797 12.7882 14.7758 14.7780 k = 0.0624-0.0001-0.0625 ( 2753 PWs) bands (ev): -45.9905 -45.9905 -22.6983 -22.6978 -22.0440 -22.0437 -22.0415 -22.0410 -14.3854 -14.3853 -6.5030 -6.5007 -5.8359 -5.8326 -5.8318 -5.8308 -0.9167 -0.9161 0.9859 0.9866 1.0137 1.0160 7.8921 7.9226 8.0797 8.1129 8.1464 8.1548 8.9238 8.9294 8.9681 8.9768 9.1780 9.1881 9.6264 9.7226 9.8962 9.9556 10.0155 10.0461 12.6266 12.6448 12.7166 12.7237 12.7935 12.8028 14.7896 14.7921 k = 0.0713-0.0002-0.0714 ( 2749 PWs) bands (ev): -45.9904 -45.9904 -22.6987 -22.6981 -22.0446 -22.0441 -22.0417 -22.0412 -14.3827 -14.3827 -6.5036 -6.5010 -5.8356 -5.8317 -5.8310 -5.8296 -0.9121 -0.9112 0.9873 0.9882 1.0234 1.0258 7.8688 7.9032 8.0537 8.0914 8.1351 8.1445 8.8901 8.8968 8.9458 8.9540 9.1699 9.1804 9.5861 9.6794 9.8888 9.9431 10.0088 10.0414 12.6354 12.6552 12.7465 12.7546 12.8096 12.8198 14.8050 14.8078 k = 0.0802-0.0002-0.0804 ( 2757 PWs) bands (ev): -45.9904 -45.9904 -22.6991 -22.6984 -22.0453 -22.0447 -22.0420 -22.0415 -14.3798 -14.3797 -6.5042 -6.5013 -5.8352 -5.8309 -5.8298 -5.8281 -0.9070 -0.9058 0.9889 0.9899 1.0341 1.0366 7.8418 7.8791 8.0263 8.0676 8.1230 8.1332 8.8525 8.8605 8.9204 8.9280 9.1637 9.1740 9.5436 9.6331 9.8794 9.9292 10.0003 10.0339 12.6465 12.6675 12.7791 12.7884 12.8282 12.8394 14.8219 14.8250 k = 0.0891-0.0002-0.0893 ( 2759 PWs) bands (ev): -45.9904 -45.9904 -22.6996 -22.6988 -22.0461 -22.0454 -22.0423 -22.0417 -14.3765 -14.3764 -6.5048 -6.5016 -5.8348 -5.8301 -5.8282 -5.8263 -0.9016 -0.9001 0.9907 0.9918 1.0456 1.0481 7.8108 7.8500 7.9981 8.0416 8.1102 8.1208 8.8116 8.8210 8.8925 8.8993 9.1591 9.1691 9.4992 9.5843 9.8682 9.9140 9.9898 10.0236 12.6599 12.6820 12.8138 12.8245 12.8492 12.8620 14.8400 14.8435 k = 0.0980-0.0002-0.0982 ( 2757 PWs) bands (ev): -45.9904 -45.9904 -22.7001 -22.6993 -22.0469 -22.0461 -22.0426 -22.0420 -14.3730 -14.3729 -6.5054 -6.5019 -5.8343 -5.8293 -5.8264 -5.8242 -0.8959 -0.8940 0.9927 0.9938 1.0579 1.0604 7.7759 7.8159 7.9690 8.0134 8.0970 8.1078 8.7678 8.7788 8.8622 8.8685 9.1558 9.1655 9.4532 9.5333 9.8553 9.8975 9.9774 10.0109 12.6757 12.6986 12.8495 12.8619 12.8733 12.8887 14.8593 14.8631 k = 0.1069-0.0002-0.1071 ( 2755 PWs) bands (ev): -45.9903 -45.9903 -22.7006 -22.6997 -22.0478 -22.0469 -22.0429 -22.0422 -14.3692 -14.3691 -6.5059 -6.5022 -5.8337 -5.8284 -5.8241 -5.8218 -0.8899 -0.8876 0.9948 0.9960 1.0708 1.0733 7.7374 7.7770 7.9390 7.9830 8.0836 8.0942 8.7217 8.7344 8.8301 8.8360 9.1537 9.1627 9.4061 9.4808 9.8408 9.8800 9.9634 9.9960 12.6940 12.7175 12.8843 12.8949 12.9057 12.9208 14.8796 14.8836 k = 0.1158-0.0003-0.1161 ( 2753 PWs) bands (ev): -45.9903 -45.9903 -22.7012 -22.7002 -22.0488 -22.0477 -22.0432 -22.0425 -14.3651 -14.3650 -6.5065 -6.5025 -5.8330 -5.8275 -5.8216 -5.8190 -0.8838 -0.8810 0.9971 0.9984 1.0840 1.0866 7.6954 7.7340 7.9075 7.9502 8.0701 8.0803 8.6736 8.6881 8.7964 8.8022 9.1521 9.1603 9.3585 9.4271 9.8250 9.8615 9.9480 9.9795 12.7147 12.7386 12.9171 12.9237 12.9464 12.9589 14.9006 14.9048 k = 0.1247-0.0003-0.1250 ( 2753 PWs) bands (ev): -45.9902 -45.9902 -22.7018 -22.7008 -22.0499 -22.0487 -22.0435 -22.0428 -14.3608 -14.3607 -6.5069 -6.5027 -5.8324 -5.8266 -5.8186 -5.8159 -0.8776 -0.8742 0.9995 1.0010 1.0974 1.1003 7.6505 7.6874 7.8743 7.9151 8.0565 8.0663 8.6241 8.6403 8.7616 8.7673 9.1505 9.1575 9.3114 9.3733 9.8079 9.8422 9.9314 9.9618 12.7379 12.7621 12.9489 12.9538 12.9896 13.0012 14.9221 14.9267 k = 0.1336-0.0003-0.1339 ( 2752 PWs) bands (ev): -45.9902 -45.9902 -22.7024 -22.7014 -22.0509 -22.0497 -22.0439 -22.0431 -14.3562 -14.3561 -6.5073 -6.5028 -5.8316 -5.8256 -5.8153 -5.8123 -0.8714 -0.8673 1.0020 1.0037 1.1109 1.1142 7.6029 7.6379 7.8390 7.8774 8.0428 8.0522 8.5735 8.5913 8.7258 8.7315 9.1475 9.1522 9.2675 9.3207 9.7897 9.8221 9.9140 9.9434 12.7634 12.7878 12.9810 12.9857 13.0347 13.0461 14.9441 14.9489 k = 0.1425-0.0003-0.1429 ( 2752 PWs) bands (ev): -45.9902 -45.9902 -22.7031 -22.7020 -22.0521 -22.0507 -22.0442 -22.0434 -14.3515 -14.3514 -6.5075 -6.5028 -5.8308 -5.8245 -5.8115 -5.8084 -0.8652 -0.8605 1.0047 1.0065 1.1241 1.1281 7.5533 7.5862 7.8014 7.8374 8.0291 8.0381 8.5219 8.5411 8.6894 8.6950 9.1367 9.1430 9.2320 9.2724 9.7703 9.8011 9.8965 9.9250 12.7911 12.8157 13.0143 13.0192 13.0811 13.0925 14.9664 14.9714 k = 0.1514-0.0003-0.1518 ( 2752 PWs) bands (ev): -45.9901 -45.9901 -22.7038 -22.7026 -22.0533 -22.0518 -22.0446 -22.0437 -14.3466 -14.3465 -6.5074 -6.5026 -5.8299 -5.8234 -5.8074 -5.8042 -0.8590 -0.8536 1.0074 1.0094 1.1370 1.1419 7.5019 7.5327 7.7616 7.7951 8.0152 8.0241 8.4696 8.4899 8.6526 8.6580 9.1093 9.1263 9.2119 9.2348 9.7496 9.7790 9.8794 9.9070 12.8210 12.8457 13.0489 13.0540 13.1286 13.1401 14.9888 14.9940 k = 0.1604-0.0004-0.1607 ( 2742 PWs) bands (ev): -45.9901 -45.9901 -22.7045 -22.7032 -22.0545 -22.0530 -22.0449 -22.0440 -14.3415 -14.3414 -6.5072 -6.5021 -5.8290 -5.8223 -5.8029 -5.7995 -0.8531 -0.8469 1.0101 1.0125 1.1494 1.1555 7.4492 7.4780 7.7194 7.7505 8.0012 8.0101 8.4165 8.4377 8.6156 8.6206 9.0696 9.0944 9.2048 9.2144 9.7275 9.7555 9.8635 9.8902 12.8529 12.8777 13.0849 13.0902 13.1770 13.1885 15.0111 15.0166 k = 0.1693-0.0004-0.1696 ( 2742 PWs) bands (ev): -45.9900 -45.9900 -22.7052 -22.7039 -22.0558 -22.0542 -22.0453 -22.0443 -14.3363 -14.3361 -6.5066 -6.5014 -5.8281 -5.8211 -5.7981 -5.7946 -0.8473 -0.8403 1.0129 1.0157 1.1612 1.1685 7.3956 7.4225 7.6751 7.7039 7.9870 7.9962 8.3628 8.3844 8.5785 8.5831 9.0251 9.0509 9.2041 9.2080 9.7040 9.7305 9.8493 9.8750 12.8868 12.9115 13.1220 13.1276 13.2259 13.2376 15.0334 15.0390 k = 0.1782-0.0004-0.1786 ( 2740 PWs) bands (ev): -45.9900 -45.9900 -22.7060 -22.7047 -22.0571 -22.0554 -22.0457 -22.0447 -14.3309 -14.3308 -6.5057 -6.5003 -5.8270 -5.8199 -5.7930 -5.7893 -0.8418 -0.8339 1.0157 1.0189 1.1721 1.1810 7.3415 7.3666 7.6289 7.6555 7.9725 7.9822 8.3084 8.3300 8.5415 8.5454 8.9797 9.0032 9.2060 9.2091 9.6790 9.7037 9.8374 9.8619 12.9224 12.9471 13.1602 13.1659 13.2754 13.2871 15.0553 15.0611 k = 0.1871-0.0004-0.1875 ( 2742 PWs) bands (ev): -45.9899 -45.9899 -22.7068 -22.7054 -22.0585 -22.0567 -22.0461 -22.0450 -14.3255 -14.3254 -6.5044 -6.4988 -5.8260 -5.8187 -5.7876 -5.7838 -0.8365 -0.8277 1.0185 1.0222 1.1821 1.1927 7.2872 7.3106 7.5810 7.6055 7.9577 7.9681 8.2533 8.2743 8.5045 8.5078 8.9356 8.9555 9.2096 9.2133 9.6524 9.6752 9.8281 9.8512 12.9596 12.9842 13.1992 13.2052 13.3251 13.3369 15.0769 15.0829 k = 0.1960-0.0004-0.1964 ( 2742 PWs) bands (ev): -45.9899 -45.9899 -22.7076 -22.7062 -22.0599 -22.0581 -22.0464 -22.0454 -14.3200 -14.3198 -6.5026 -6.4969 -5.8249 -5.8174 -5.7820 -5.7781 -0.8316 -0.8219 1.0212 1.0256 1.1911 1.2035 7.2329 7.2548 7.5315 7.5541 7.9423 7.9539 8.1974 8.2173 8.4677 8.4703 8.8938 8.9099 9.2147 9.2190 9.6244 9.6451 9.8217 9.8430 12.9982 13.0228 13.2389 13.2451 13.3750 13.3868 15.0980 15.1042 k = 0.2049-0.0005-0.2054 ( 2744 PWs) bands (ev): -45.9898 -45.9898 -22.7084 -22.7070 -22.0613 -22.0594 -22.0468 -22.0458 -14.3144 -14.3143 -6.5004 -6.4945 -5.8238 -5.8161 -5.7762 -5.7722 -0.8270 -0.8164 1.0239 1.0289 1.1990 1.2133 7.1790 7.1994 7.4808 7.5015 7.9263 7.9395 8.1409 8.1588 8.4311 8.4330 8.8551 8.8677 9.2208 9.2256 9.5952 9.6136 9.8180 9.8375 13.0382 13.0627 13.2791 13.2855 13.4250 13.4368 15.1185 15.1249 k = 0.2138-0.0005-0.2143 ( 2744 PWs) bands (ev): -45.9898 -45.9898 -22.7092 -22.7078 -22.0627 -22.0608 -22.0472 -22.0461 -14.3088 -14.3087 -6.4975 -6.4915 -5.8226 -5.8147 -5.7703 -5.7662 -0.8228 -0.8113 1.0263 1.0321 1.2056 1.2221 7.1256 7.1447 7.4291 7.4481 7.9090 7.9250 8.0842 8.0989 8.3946 8.3959 8.8204 8.8297 9.2276 9.2329 9.5648 9.5811 9.8170 9.8347 13.0793 13.1037 13.3197 13.3262 13.4750 13.4867 15.1384 15.1450 k = 0.2227-0.0005-0.2232 ( 2740 PWs) bands (ev): -45.9897 -45.9897 -22.7100 -22.7086 -22.0641 -22.0622 -22.0476 -22.0465 -14.3032 -14.3030 -6.4941 -6.4879 -5.8214 -5.8134 -5.7644 -5.7602 -0.8190 -0.8065 1.0286 1.0353 1.2110 1.2297 7.0730 7.0908 7.3767 7.3940 7.8897 7.9102 8.0279 8.0378 8.3583 8.3591 8.7901 8.7967 9.2349 9.2407 9.5336 9.5478 9.8185 9.8344 13.1214 13.1457 13.3604 13.3672 13.5248 13.5364 15.1576 15.1643 k = 0.2316-0.0005-0.2321 ( 2740 PWs) bands (ev): -45.9896 -45.9896 -22.7109 -22.7094 -22.0656 -22.0636 -22.0480 -22.0469 -14.2975 -14.2974 -6.4899 -6.4837 -5.8201 -5.8120 -5.7584 -5.7542 -0.8157 -0.8022 1.0307 1.0383 1.2152 1.2362 7.0212 7.0379 7.3238 7.3396 7.8661 7.8949 7.9726 7.9775 8.3221 8.3226 8.7647 8.7691 9.2425 9.2488 9.5018 9.5141 9.8226 9.8367 13.1644 13.1885 13.4012 13.4081 13.5744 13.5859 15.1760 15.1829 k = 0.2405-0.0005-0.2411 ( 2734 PWs) bands (ev): -45.9896 -45.9896 -22.7117 -22.7102 -22.0670 -22.0650 -22.0484 -22.0472 -14.2919 -14.2918 -6.4851 -6.4788 -5.8189 -5.8106 -5.7526 -5.7482 -0.8128 -0.7984 1.0324 1.0410 1.2182 1.2416 6.9704 6.9860 7.2706 7.2849 7.8343 7.8778 7.9126 7.9295 8.2860 8.2865 8.7443 8.7473 9.2502 9.2572 9.4695 9.4801 9.8289 9.8413 13.2081 13.2320 13.4418 13.4488 13.6236 13.6350 15.1936 15.2006 k = 0.2494-0.0006-0.2500 ( 2742 PWs) bands (ev): -45.9895 -45.9895 -22.7125 -22.7110 -22.0685 -22.0665 -22.0488 -22.0476 -14.2864 -14.2863 -6.4796 -6.4732 -5.8176 -5.8092 -5.7468 -5.7425 -0.8103 -0.7951 1.0338 1.0434 1.2200 1.2458 6.9207 6.9354 7.2173 7.2303 7.7905 7.8391 7.8715 7.8942 8.2502 8.2506 8.7292 8.7313 9.2580 9.2656 9.4372 9.4464 9.8374 9.8482 13.2523 13.2760 13.4821 13.4893 13.6724 13.6837 15.2103 15.2175 k = 0.2583-0.0006-0.2589 ( 2738 PWs) bands (ev): -45.9895 -45.9895 -22.7134 -22.7119 -22.0699 -22.0679 -22.0491 -22.0480 -14.2809 -14.2808 -6.4732 -6.4668 -5.8163 -5.8078 -5.7413 -5.7369 -0.8083 -0.7922 1.0347 1.0454 1.2208 1.2490 6.8722 6.8860 7.1641 7.1759 7.7366 7.7760 7.8538 7.8684 8.2147 8.2151 8.7192 8.7211 9.2655 9.2739 9.4051 9.4133 9.8479 9.8571 13.2969 13.3204 13.5220 13.5294 13.7207 13.7319 15.2261 15.2334 k = 0.2673-0.0006-0.2679 ( 2738 PWs) bands (ev): -45.9894 -45.9894 -22.7142 -22.7127 -22.0713 -22.0693 -22.0495 -22.0484 -14.2755 -14.2754 -6.4661 -6.4596 -5.8150 -5.8064 -5.7361 -5.7317 -0.8067 -0.7898 1.0351 1.0469 1.2207 1.2513 6.8250 6.8378 7.1114 7.1219 7.6774 7.7104 7.8380 7.8479 8.1797 8.1800 8.7143 8.7165 9.2722 9.2816 9.3737 9.3820 9.8602 9.8680 13.3418 13.3651 13.5614 13.5688 13.7684 13.7794 15.2409 15.2484 k = 0.2762-0.0006-0.2768 ( 2738 PWs) bands (ev): -45.9894 -45.9894 -22.7150 -22.7135 -22.0727 -22.0707 -22.0499 -22.0487 -14.2702 -14.2701 -6.4582 -6.4516 -5.8137 -5.8050 -5.7313 -5.7268 -0.8056 -0.7880 1.0349 1.0477 1.2199 1.2527 6.7790 6.7911 7.0591 7.0685 7.6158 7.6442 7.8224 7.8301 8.1452 8.1454 8.7143 8.7170 9.2764 9.2874 9.3442 9.3547 9.8741 9.8806 13.3867 13.4098 13.6001 13.6076 13.8155 13.8261 15.2548 15.2624 k = 0.2851-0.0006-0.2857 ( 2726 PWs) bands (ev): -45.9893 -45.9893 -22.7158 -22.7143 -22.0741 -22.0721 -22.0502 -22.0491 -14.2650 -14.2649 -6.4494 -6.4428 -5.8123 -5.8036 -5.7268 -5.7223 -0.8050 -0.7866 1.0340 1.0477 1.2187 1.2535 6.7344 6.7457 7.0076 7.0160 7.5532 7.5782 7.8067 7.8140 8.1112 8.1116 8.7189 8.7222 9.2731 9.2866 9.3215 9.3368 9.8895 9.8947 13.4316 13.4544 13.6380 13.6456 13.8617 13.8721 15.2677 15.2754 k = 0.2940-0.0007-0.2946 ( 2728 PWs) bands (ev): -45.9892 -45.9892 -22.7166 -22.7151 -22.0755 -22.0735 -22.0506 -22.0494 -14.2599 -14.2598 -6.4399 -6.4332 -5.8110 -5.8023 -5.7229 -5.7184 -0.8047 -0.7858 1.0324 1.0467 1.2172 1.2537 6.6911 6.7017 6.9570 6.9643 7.4903 7.5125 7.7912 7.7989 8.0779 8.0786 8.7274 8.7315 9.2571 9.2698 9.3160 9.3326 9.9061 9.9102 13.4763 13.4988 13.6750 13.6827 13.9070 13.9171 15.2796 15.2873 k = 0.3029-0.0007-0.3036 ( 2728 PWs) bands (ev): -45.9892 -45.9892 -22.7174 -22.7159 -22.0768 -22.0748 -22.0509 -22.0498 -14.2549 -14.2549 -6.4295 -6.4228 -5.8097 -5.8009 -5.7195 -5.7149 -0.8049 -0.7854 1.0299 1.0447 1.2157 1.2535 6.6492 6.6591 6.9075 6.9138 7.4279 7.4477 7.7760 7.7845 8.0454 8.0464 8.7392 8.7443 9.2339 9.2452 9.3206 9.3371 9.9238 9.9269 13.5206 13.5428 13.7111 13.7189 13.9513 13.9612 15.2905 15.2983 k = 0.3118-0.0007-0.3125 ( 2728 PWs) bands (ev): -45.9891 -45.9891 -22.7181 -22.7167 -22.0781 -22.0762 -22.0512 -22.0502 -14.2501 -14.2501 -6.4183 -6.4116 -5.8084 -5.7995 -5.7168 -5.7121 -0.8054 -0.7856 1.0266 1.0415 1.2144 1.2531 6.6087 6.6180 6.8592 6.8646 7.3663 7.3839 7.7613 7.7706 8.0139 8.0151 8.7536 8.7597 9.2093 9.2208 9.3278 9.3446 9.9423 9.9446 13.5644 13.5863 13.7460 13.7539 13.9945 14.0040 15.3003 15.3082 k = 0.3207-0.0007-0.3214 ( 2730 PWs) bands (ev): -45.9891 -45.9891 -22.7189 -22.7175 -22.0794 -22.0775 -22.0516 -22.0505 -14.2455 -14.2455 -6.4064 -6.3997 -5.8072 -5.7982 -5.7147 -5.7100 -0.8063 -0.7862 1.0224 1.0371 1.2134 1.2526 6.5697 6.5783 6.8124 6.8168 7.3057 7.3215 7.7471 7.7571 7.9833 7.9848 8.7695 8.7768 9.1862 9.1987 9.3358 9.3535 9.9614 9.9632 13.6076 13.6291 13.7798 13.7877 14.0365 14.0457 15.3092 15.3172 k = 0.3296-0.0007-0.3304 ( 2732 PWs) bands (ev): -45.9890 -45.9890 -22.7196 -22.7183 -22.0806 -22.0788 -22.0519 -22.0508 -14.2411 -14.2410 -6.3937 -6.3870 -5.8059 -5.7969 -5.7133 -5.7086 -0.8076 -0.7872 1.0174 1.0316 1.2130 1.2521 6.5321 6.5400 6.7671 6.7706 7.2466 7.2606 7.7335 7.7441 7.9538 7.9556 8.7857 8.7941 9.1663 9.1803 9.3441 9.3628 9.9808 9.9825 13.6500 13.6711 13.8124 13.8204 14.0772 14.0860 15.3171 15.3251 k = 0.3385-0.0008-0.3393 ( 2732 PWs) bands (ev): -45.9890 -45.9890 -22.7203 -22.7190 -22.0818 -22.0800 -22.0522 -22.0512 -14.2368 -14.2368 -6.3803 -6.3736 -5.8047 -5.7957 -5.7126 -5.7079 -0.8091 -0.7887 1.0115 1.0249 1.2132 1.2517 6.4959 6.5032 6.7236 6.7262 7.1892 7.2016 7.7205 7.7315 7.9254 7.9275 8.8007 8.8102 9.1511 9.1668 9.3525 9.3726 10.0004 10.0023 13.6914 13.7122 13.8437 13.8517 14.1164 14.1249 15.3241 15.3320 k = 0.3474-0.0008-0.3482 ( 2728 PWs) bands (ev): -45.9889 -45.9889 -22.7210 -22.7197 -22.0830 -22.0812 -22.0524 -22.0515 -14.2327 -14.2327 -6.3663 -6.3597 -5.8036 -5.7944 -5.7128 -5.7080 -0.8108 -0.7905 1.0049 1.0173 1.2139 1.2515 6.4612 6.4678 6.6820 6.6837 7.1336 7.1446 7.7082 7.7194 7.8981 7.9005 8.8130 8.8232 9.1420 9.1595 9.3609 9.3824 10.0201 10.0224 13.7318 13.7521 13.8736 13.8817 14.1541 14.1622 15.3302 15.3380 k = 0.3563-0.0008-0.3571 ( 2722 PWs) bands (ev): -45.9889 -45.9889 -22.7216 -22.7204 -22.0840 -22.0823 -22.0527 -22.0518 -14.2289 -14.2288 -6.3517 -6.3451 -5.8025 -5.7932 -5.7137 -5.7088 -0.8128 -0.7926 0.9977 1.0088 1.2152 1.2515 6.4279 6.4339 6.6424 6.6433 7.0802 7.0898 7.6966 7.7079 7.8721 7.8748 8.8211 8.8316 9.1403 9.1595 9.3693 9.3925 10.0398 10.0425 13.7710 13.7908 13.9021 13.9102 14.1902 14.1979 15.3353 15.3431 k = 0.3652-0.0008-0.3661 ( 2722 PWs) bands (ev): -45.9888 -45.9888 -22.7222 -22.7210 -22.0851 -22.0834 -22.0529 -22.0520 -14.2252 -14.2252 -6.3366 -6.3301 -5.8014 -5.7921 -5.7155 -5.7105 -0.8149 -0.7951 0.9900 0.9998 1.2170 1.2516 6.3961 6.4015 6.6049 6.6053 7.0290 7.0374 7.6858 7.6969 7.8474 7.8502 8.8242 8.8343 9.1465 9.1671 9.3777 9.4026 10.0593 10.0624 13.8087 13.8280 13.9291 13.9373 14.2246 14.2318 15.3397 15.3473 k = 0.3742-0.0008-0.3750 ( 2724 PWs) bands (ev): -45.9888 -45.9888 -22.7228 -22.7217 -22.0861 -22.0845 -22.0532 -22.0523 -14.2218 -14.2217 -6.3211 -6.3147 -5.8004 -5.7910 -5.7180 -5.7129 -0.8171 -0.7978 0.9818 0.9904 1.2192 1.2520 6.3658 6.3706 6.5691 6.5701 6.9803 6.9875 7.6757 7.6866 7.8239 7.8269 8.8223 8.8316 9.1598 9.1818 9.3860 9.4129 10.0785 10.0819 13.8450 13.8638 13.9546 13.9629 14.2572 14.2639 15.3432 15.3507 k = 0.3831-0.0009-0.3839 ( 2728 PWs) bands (ev): -45.9888 -45.9888 -22.7234 -22.7223 -22.0870 -22.0855 -22.0534 -22.0526 -14.2185 -14.2185 -6.3053 -6.2991 -5.7995 -5.7899 -5.7213 -5.7160 -0.8194 -0.8007 0.9735 0.9807 1.2217 1.2525 6.3370 6.3412 6.5357 6.5374 6.9341 6.9403 7.6664 7.6769 7.8017 7.8049 8.8164 8.8245 9.1788 9.2023 9.3943 9.4233 10.0972 10.1009 13.8796 13.8978 13.9785 13.9869 14.2878 14.2941 15.3460 15.3533 k = 0.3920-0.0009-0.3929 ( 2730 PWs) bands (ev): -45.9887 -45.9887 -22.7239 -22.7229 -22.0879 -22.0865 -22.0536 -22.0528 -14.2155 -14.2155 -6.2894 -6.2833 -5.7987 -5.7889 -5.7254 -5.7198 -0.8217 -0.8038 0.9651 0.9711 1.2245 1.2532 6.3097 6.3134 6.5048 6.5072 6.8908 6.8960 7.6579 7.6680 7.7808 7.7842 8.8075 8.8143 9.2017 9.2269 9.4027 9.4338 10.1152 10.1191 13.9124 13.9301 14.0009 14.0093 14.3164 14.3222 15.3482 15.3553 k = 0.4009-0.0009-0.4018 ( 2734 PWs) bands (ev): -45.9887 -45.9887 -22.7244 -22.7234 -22.0887 -22.0874 -22.0538 -22.0531 -14.2128 -14.2127 -6.2734 -6.2675 -5.7979 -5.7879 -5.7301 -5.7242 -0.8240 -0.8070 0.9567 0.9617 1.2274 1.2539 6.2841 6.2873 6.4766 6.4795 6.8502 6.8546 7.6503 7.6598 7.7612 7.7647 8.7967 8.8023 9.2266 9.2537 9.4114 9.4447 10.1325 10.1365 13.9433 13.9604 14.0216 14.0302 14.3430 14.3483 15.3498 15.3565 k = 0.4098-0.0009-0.4107 ( 2732 PWs) bands (ev): -45.9887 -45.9887 -22.7248 -22.7239 -22.0894 -22.0882 -22.0539 -22.0533 -14.2102 -14.2102 -6.2575 -6.2518 -5.7973 -5.7870 -5.7354 -5.7292 -0.8262 -0.8102 0.9486 0.9526 1.2304 1.2546 6.2602 6.2629 6.4510 6.4544 6.8127 6.8163 7.6436 7.6525 7.7429 7.7466 8.7849 8.7895 9.2520 9.2810 9.4204 9.4558 10.1489 10.1529 13.9721 13.9885 14.0406 14.0493 14.3674 14.3723 15.3508 15.3573 k = 0.4187-0.0009-0.4196 ( 2732 PWs) bands (ev): -45.9886 -45.9886 -22.7252 -22.7244 -22.0901 -22.0890 -22.0541 -22.0535 -14.2079 -14.2079 -6.2420 -6.2365 -5.7968 -5.7862 -5.7411 -5.7345 -0.8282 -0.8134 0.9408 0.9440 1.2335 1.2553 6.2380 6.2404 6.4282 6.4319 6.7783 6.7811 7.6378 7.6461 7.7260 7.7297 8.7730 8.7767 9.2767 9.3073 9.4304 9.4672 10.1642 10.1682 13.9987 14.0145 14.0579 14.0668 14.3897 14.3941 15.3515 15.3575 k = 0.4276-0.0010-0.4286 ( 2732 PWs) bands (ev): -45.9886 -45.9886 -22.7255 -22.7248 -22.0907 -22.0897 -22.0542 -22.0537 -14.2058 -14.2058 -6.2269 -6.2218 -5.7964 -5.7854 -5.7472 -5.7401 -0.8301 -0.8166 0.9334 0.9360 1.2365 1.2560 6.2177 6.2198 6.4080 6.4118 6.7470 6.7493 7.6329 7.6406 7.7105 7.7142 8.7614 8.7644 9.2997 9.3310 9.4415 9.4788 10.1783 10.1822 14.0229 14.0381 14.0735 14.0827 14.4097 14.4136 15.3518 15.3574 k = 0.4365-0.0010-0.4375 ( 2732 PWs) bands (ev): -45.9886 -45.9886 -22.7258 -22.7252 -22.0912 -22.0903 -22.0543 -22.0539 -14.2040 -14.2040 -6.2126 -6.2078 -5.7961 -5.7847 -5.7535 -5.7457 -0.8318 -0.8196 0.9267 0.9287 1.2394 1.2565 6.1994 6.2012 6.3905 6.3943 6.7191 6.7208 7.6291 7.6360 7.6962 7.7000 8.7505 8.7529 9.3204 9.3511 9.4543 9.4905 10.1912 10.1948 14.0446 14.0591 14.0875 14.0967 14.4275 14.4309 15.3519 15.3569 k = 0.4454-0.0010-0.4464 ( 2726 PWs) bands (ev): -45.9886 -45.9886 -22.7261 -22.7255 -22.0916 -22.0909 -22.0544 -22.0540 -14.2024 -14.2024 -6.1992 -6.1949 -5.7960 -5.7841 -5.7597 -5.7512 -0.8331 -0.8225 0.9206 0.9222 1.2421 1.2569 6.1832 6.1848 6.3755 6.3792 6.6946 6.6958 7.6262 7.6325 7.6834 7.6870 8.7406 8.7425 9.3385 9.3669 9.4686 9.5020 10.2026 10.2059 14.0638 14.0774 14.0998 14.1091 14.4430 14.4460 15.3518 15.3563 k = 0.4543-0.0010-0.4554 ( 2722 PWs) bands (ev): -45.9885 -45.9885 -22.7263 -22.7258 -22.0919 -22.0913 -22.0545 -22.0541 -14.2010 -14.2010 -6.1871 -6.1832 -5.7959 -5.7838 -5.7655 -5.7564 -0.8342 -0.8252 0.9154 0.9166 1.2447 1.2571 6.1693 6.1707 6.3631 6.3665 6.6736 6.6745 7.6244 7.6301 7.6718 7.6754 8.7320 8.7333 9.3537 9.3784 9.4837 9.5128 10.2126 10.2155 14.0803 14.0928 14.1107 14.1196 14.4562 14.4587 15.3516 15.3555 k = 0.4632-0.0011-0.4643 ( 2728 PWs) bands (ev): -45.9885 -45.9885 -22.7265 -22.7261 -22.0923 -22.0918 -22.0545 -22.0543 -14.1999 -14.1999 -6.1764 -6.1732 -5.7958 -5.7839 -5.7704 -5.7611 -0.8350 -0.8276 0.9109 0.9119 1.2471 1.2571 6.1577 6.1588 6.3531 6.3560 6.6561 6.6567 7.6237 7.6287 7.6616 7.6651 8.7246 8.7257 9.3662 9.3863 9.4985 9.5223 10.2209 10.2234 14.0941 14.1050 14.1201 14.1283 14.4671 14.4691 15.3514 15.3546 k = 0.4721-0.0011-0.4732 ( 2728 PWs) bands (ev): -45.9885 -45.9885 -22.7266 -22.7263 -22.0925 -22.0921 -22.0546 -22.0544 -14.1990 -14.1990 -6.1676 -6.1651 -5.7956 -5.7851 -5.7737 -5.7652 -0.8354 -0.8298 0.9074 0.9081 1.2493 1.2568 6.1486 6.1494 6.3455 6.3478 6.6423 6.6427 7.6240 7.6285 7.6526 7.6561 8.7188 8.7196 9.3761 9.3913 9.5118 9.5299 10.2276 10.2296 14.1051 14.1139 14.1283 14.1350 14.4757 14.4772 15.3513 15.3537 k = 0.4811-0.0011-0.4821 ( 2728 PWs) bands (ev): -45.9885 -45.9885 -22.7267 -22.7265 -22.0926 -22.0924 -22.0546 -22.0545 -14.1984 -14.1984 -6.1608 -6.1591 -5.7952 -5.7874 -5.7750 -5.7685 -0.8355 -0.8316 0.9048 0.9053 1.2512 1.2563 6.1419 6.1425 6.3402 6.3418 6.6323 6.6326 7.6255 7.6295 7.6450 7.6484 8.7146 8.7151 9.3837 9.3940 9.5228 9.5351 10.2326 10.2340 14.1134 14.1196 14.1349 14.1397 14.4820 14.4830 15.3513 15.3530 k = 0.4900-0.0011-0.4911 ( 2724 PWs) bands (ev): -45.9885 -45.9885 -22.7267 -22.7266 -22.0927 -22.0925 -22.0546 -22.0545 -14.1980 -14.1980 -6.1564 -6.1554 -5.7943 -5.7900 -5.7747 -5.7712 -0.8352 -0.8331 0.9033 0.9035 1.2528 1.2556 6.1378 6.1382 6.3371 6.3380 6.6261 6.6262 7.6280 7.6316 7.6388 7.6420 8.7120 8.7122 9.3892 9.3946 9.5310 9.5374 10.2359 10.2366 14.1191 14.1224 14.1397 14.1422 14.4860 14.4865 15.3514 15.3523 k = 0.4989-0.0011-0.5000 ( 2714 PWs) bands (ev): -45.9885 -45.9885 -22.7266 -22.7266 -22.0926 -22.0926 -22.0545 -22.0545 -14.1978 -14.1978 -6.1543 -6.1542 -5.7928 -5.7924 -5.7736 -5.7732 -0.8345 -0.8342 0.9028 0.9028 1.2542 1.2545 6.1364 6.1364 6.3361 6.3362 6.6237 6.6237 7.6314 7.6323 7.6364 7.6372 8.7110 8.7111 9.3928 9.3934 9.5359 9.5366 10.2373 10.2374 14.1222 14.1225 14.1422 14.1425 14.4877 14.4877 15.3517 15.3518 k = 0.5011 0.4977-0.0023 ( 2714 PWs) bands (ev): -45.9885 -45.9885 -22.7266 -22.7266 -22.0926 -22.0926 -22.0545 -22.0545 -14.1978 -14.1978 -6.1544 -6.1542 -5.7928 -5.7923 -5.7736 -5.7732 -0.8345 -0.8342 0.9028 0.9028 1.2542 1.2545 6.1364 6.1364 6.3361 6.3362 6.6237 6.6238 7.6315 7.6323 7.6364 7.6372 8.7110 8.7110 9.3927 9.3933 9.5359 9.5366 10.2374 10.2374 14.1222 14.1225 14.1422 14.1425 14.4877 14.4877 15.3517 15.3518 k = 0.5000 0.4989-0.0023 ( 2716 PWs) bands (ev): -45.9885 -45.9885 -22.7266 -22.7266 -22.0926 -22.0926 -22.0545 -22.0545 -14.1978 -14.1978 -6.1543 -6.1543 -5.7926 -5.7926 -5.7734 -5.7734 -0.8344 -0.8344 0.9028 0.9028 1.2544 1.2544 6.1364 6.1364 6.3362 6.3362 6.6237 6.6237 7.6319 7.6319 7.6367 7.6367 8.7110 8.7110 9.3931 9.3931 9.5363 9.5363 10.2374 10.2374 14.1224 14.1224 14.1424 14.1424 14.4877 14.4877 15.3518 15.3518 k = 0.5000 0.4989-0.0023 ( 2716 PWs) bands (ev): -45.9885 -45.9885 -22.7266 -22.7266 -22.0926 -22.0926 -22.0545 -22.0545 -14.1978 -14.1978 -6.1543 -6.1543 -5.7926 -5.7926 -5.7734 -5.7734 -0.8344 -0.8344 0.9028 0.9028 1.2544 1.2544 6.1364 6.1364 6.3362 6.3362 6.6237 6.6237 7.6319 7.6319 7.6367 7.6367 8.7110 8.7110 9.3931 9.3931 9.5363 9.5363 10.2374 10.2374 14.1224 14.1224 14.1424 14.1424 14.4877 14.4877 15.3518 15.3518 k = 0.5000 0.4989 0.0102 ( 2716 PWs) bands (ev): -45.9885 -45.9885 -22.7267 -22.7266 -22.0926 -22.0926 -22.0546 -22.0545 -14.1977 -14.1977 -6.1536 -6.1534 -5.7925 -5.7921 -5.7732 -5.7731 -0.8372 -0.8337 0.9015 0.9016 1.2500 1.2546 6.1361 6.1367 6.3388 6.3393 6.6237 6.6237 7.6318 7.6330 7.6378 7.6379 8.7064 8.7068 9.3941 9.3943 9.5368 9.5371 10.2375 10.2375 14.1223 14.1236 14.1428 14.1429 14.4880 14.4881 15.3564 15.3575 k = 0.5001 0.4989 0.0226 ( 2722 PWs) bands (ev): -45.9885 -45.9885 -22.7268 -22.7266 -22.0926 -22.0926 -22.0549 -22.0547 -14.1974 -14.1974 -6.1513 -6.1511 -5.7919 -5.7912 -5.7725 -5.7724 -0.8421 -0.8350 0.8979 0.8980 1.2415 1.2507 6.1360 6.1371 6.3471 6.3481 6.6237 6.6237 7.6328 7.6351 7.6410 7.6414 8.6931 8.6938 9.3973 9.3978 9.5386 9.5392 10.2378 10.2378 14.1234 14.1260 14.1441 14.1443 14.4891 14.4892 15.3713 15.3736 k = 0.5001 0.4990 0.0351 ( 2722 PWs) bands (ev): -45.9885 -45.9885 -22.7269 -22.7267 -22.0926 -22.0926 -22.0552 -22.0549 -14.1969 -14.1969 -6.1475 -6.1471 -5.7907 -5.7896 -5.7714 -5.7713 -0.8490 -0.8385 0.8920 0.8921 1.2291 1.2427 6.1360 6.1375 6.3611 6.3626 6.6237 6.6238 7.6346 7.6380 7.6466 7.6471 8.6713 8.6724 9.4028 9.4036 9.5417 9.5426 10.2383 10.2383 14.1255 14.1295 14.1464 14.1471 14.4909 14.4910 15.3963 15.3996 k = 0.5001 0.4990 0.0475 ( 2724 PWs) bands (ev): -45.9885 -45.9885 -22.7271 -22.7268 -22.0926 -22.0926 -22.0556 -22.0553 -14.1962 -14.1962 -6.1422 -6.1417 -5.7890 -5.7876 -5.7699 -5.7697 -0.8579 -0.8441 0.8837 0.8838 1.2128 1.2308 6.1361 6.1379 6.3806 6.3826 6.6238 6.6238 7.6373 7.6418 7.6543 7.6550 8.6415 8.6429 9.4104 9.4115 9.5462 9.5473 10.2390 10.2390 14.1284 14.1339 14.1502 14.1514 14.4933 14.4935 15.4309 15.4351 k = 0.5001 0.4990 0.0600 ( 2731 PWs) bands (ev): -45.9885 -45.9885 -22.7273 -22.7270 -22.0926 -22.0926 -22.0562 -22.0558 -14.1954 -14.1954 -6.1355 -6.1348 -5.7868 -5.7850 -5.7679 -5.7676 -0.8688 -0.8516 0.8731 0.8733 1.1928 1.2150 6.1362 6.1382 6.4055 6.4079 6.6238 6.6239 7.6406 7.6464 7.6641 7.6649 8.6043 8.6058 9.4201 9.4214 9.5519 9.5533 10.2399 10.2399 14.1320 14.1388 14.1557 14.1574 14.4965 14.4968 15.4744 15.4794 k = 0.5002 0.4990 0.0724 ( 2734 PWs) bands (ev): -45.9885 -45.9885 -22.7276 -22.7272 -22.0925 -22.0925 -22.0569 -22.0564 -14.1943 -14.1943 -6.1272 -6.1264 -5.7840 -5.7819 -5.7655 -5.7652 -0.8815 -0.8612 0.8604 0.8606 1.1694 1.1956 6.1363 6.1385 6.4355 6.4382 6.6239 6.6240 7.6446 7.6516 7.6756 7.6766 8.5602 8.5618 9.4319 9.4335 9.5590 9.5605 10.2410 10.2410 14.1365 14.1443 14.1633 14.1653 14.5004 14.5006 15.5262 15.5318 k = 0.5002 0.4991 0.0848 ( 2739 PWs) bands (ev): -45.9884 -45.9884 -22.7279 -22.7274 -22.0925 -22.0925 -22.0576 -22.0570 -14.1930 -14.1930 -6.1176 -6.1167 -5.7808 -5.7783 -5.7626 -5.7623 -0.8960 -0.8726 0.8456 0.8459 1.1429 1.1728 6.1365 6.1387 6.4703 6.4732 6.6240 6.6241 7.6490 7.6573 7.6888 7.6900 8.5100 8.5116 9.4456 9.4475 9.5675 9.5691 10.2422 10.2422 14.1421 14.1504 14.1729 14.1750 14.5049 14.5052 15.5853 15.5915 k = 0.5002 0.4991 0.0973 ( 2740 PWs) bands (ev): -45.9884 -45.9884 -22.7282 -22.7276 -22.0924 -22.0924 -22.0584 -22.0578 -14.1916 -14.1916 -6.1066 -6.1055 -5.7771 -5.7743 -5.7594 -5.7591 -0.9122 -0.8858 0.8289 0.8292 1.1134 1.1468 6.1366 6.1388 6.5096 6.5124 6.6241 6.6244 7.6537 7.6634 7.7033 7.7048 8.4545 8.4560 9.4613 9.4635 9.5773 9.5790 10.2437 10.2437 14.1488 14.1574 14.1844 14.1864 14.5101 14.5104 15.6510 15.6575 k = 0.5003 0.4991 0.1097 ( 2741 PWs) bands (ev): -45.9884 -45.9884 -22.7285 -22.7279 -22.0924 -22.0924 -22.0594 -22.0586 -14.1900 -14.1900 -6.0943 -6.0931 -5.7729 -5.7698 -5.7558 -5.7554 -0.9300 -0.9008 0.8103 0.8107 1.0814 1.1180 6.1367 6.1389 6.5530 6.5552 6.6242 6.6250 7.6585 7.6697 7.7188 7.7206 8.3947 8.3960 9.4789 9.4814 9.5886 9.5903 10.2453 10.2453 14.1569 14.1655 14.1975 14.1994 14.5159 14.5162 15.7223 15.7291 k = 0.5003 0.4991 0.1222 ( 2738 PWs) bands (ev): -45.9884 -45.9884 -22.7288 -22.7282 -22.0923 -22.0923 -22.0603 -22.0595 -14.1883 -14.1883 -6.0807 -6.0794 -5.7682 -5.7648 -5.7518 -5.7514 -0.9492 -0.9174 0.7901 0.7905 1.0471 1.0866 6.1367 6.1388 6.5997 6.5999 6.6246 6.6275 7.6629 7.6757 7.7350 7.7371 8.3316 8.3326 9.4984 9.5012 9.6013 9.6031 10.2470 10.2471 14.1664 14.1749 14.2121 14.2139 14.5223 14.5225 15.7983 15.8053 k = 0.5003 0.4992 0.1346 ( 2736 PWs) bands (ev): -45.9883 -45.9883 -22.7292 -22.7285 -22.0922 -22.0922 -22.0614 -22.0605 -14.1864 -14.1864 -6.0660 -6.0646 -5.7632 -5.7594 -5.7475 -5.7471 -0.9697 -0.9355 0.7683 0.7688 1.0109 1.0530 6.1365 6.1386 6.6212 6.6240 6.6512 6.6560 7.6667 7.6809 7.7512 7.7538 8.2665 8.2670 9.5198 9.5228 9.6155 9.6173 10.2490 10.2490 14.1774 14.1857 14.2281 14.2297 14.5292 14.5294 15.8782 15.8852 k = 0.5003 0.4992 0.1471 ( 2735 PWs) bands (ev): -45.9883 -45.9883 -22.7296 -22.7289 -22.0921 -22.0921 -22.0625 -22.0616 -14.1844 -14.1844 -6.0502 -6.0486 -5.7578 -5.7537 -5.7429 -5.7424 -0.9913 -0.9550 0.7451 0.7457 0.9730 1.0174 6.1363 6.1383 6.6231 6.6244 6.7043 6.7068 7.6690 7.6848 7.7669 7.7701 8.2010 8.2013 9.5431 9.5464 9.6314 9.6331 10.2510 10.2511 14.1899 14.1979 14.2453 14.2468 14.5367 14.5368 15.9609 15.9679 k = 0.5004 0.4992 0.1595 ( 2736 PWs) bands (ev): -45.9883 -45.9883 -22.7301 -22.7293 -22.0921 -22.0920 -22.0637 -22.0627 -14.1822 -14.1822 -6.0334 -6.0317 -5.7520 -5.7476 -5.7379 -5.7374 -1.0140 -0.9758 0.7208 0.7214 0.9338 0.9801 6.1358 6.1377 6.6237 6.6247 6.7600 6.7610 7.6689 7.6858 7.7814 7.7851 8.1367 8.1383 9.5682 9.5716 9.6488 9.6506 10.2532 10.2533 14.2038 14.2115 14.2638 14.2651 14.5446 14.5447 16.0455 16.0525 k = 0.5004 0.4993 0.1719 ( 2732 PWs) bands (ev): -45.9882 -45.9882 -22.7305 -22.7297 -22.0920 -22.0919 -22.0649 -22.0639 -14.1800 -14.1800 -6.0157 -6.0138 -5.7459 -5.7412 -5.7327 -5.7322 -1.0376 -0.9977 0.6953 0.6961 0.8936 0.9415 6.1352 6.1370 6.6241 6.6249 6.8171 6.8177 7.6644 7.6817 7.7935 7.7976 8.0776 8.0812 9.5950 9.5987 9.6680 9.6697 10.2555 10.2556 14.2191 14.2264 14.2833 14.2845 14.5529 14.5530 16.1311 16.1381 k = 0.5004 0.4993 0.1844 ( 2728 PWs) bands (ev): -45.9882 -45.9882 -22.7309 -22.7301 -22.0919 -22.0918 -22.0662 -22.0651 -14.1776 -14.1776 -5.9971 -5.9951 -5.7395 -5.7345 -5.7272 -5.7267 -1.0620 -1.0205 0.6690 0.6699 0.8527 0.9018 6.1343 6.1361 6.6245 6.6252 6.8744 6.8768 7.6526 7.6690 7.8026 7.8060 8.0287 8.0347 9.6235 9.6273 9.6888 9.6904 10.2578 10.2580 14.2356 14.2425 14.3037 14.3048 14.5617 14.5617 16.2167 16.2237 k = 0.5005 0.4993 0.1968 ( 2726 PWs) bands (ev): -45.9882 -45.9882 -22.7314 -22.7305 -22.0918 -22.0917 -22.0675 -22.0664 -14.1752 -14.1752 -5.9779 -5.9757 -5.7329 -5.7276 -5.7214 -5.7211 -1.0869 -1.0442 0.6420 0.6430 0.8113 0.8614 6.1332 6.1348 6.6248 6.6255 6.9324 6.9369 7.6296 7.6433 7.8087 7.8093 7.9952 8.0035 9.6536 9.6575 9.7113 9.7129 10.2603 10.2606 14.2534 14.2598 14.3250 14.3261 14.5707 14.5707 16.3014 16.3083 k = 0.5005 0.4993 0.2093 ( 2730 PWs) bands (ev): -45.9881 -45.9881 -22.7319 -22.7310 -22.0917 -22.0916 -22.0689 -22.0677 -14.1727 -14.1727 -5.9580 -5.9557 -5.7261 -5.7204 -5.7155 -5.7152 -1.1122 -1.0685 0.6145 0.6155 0.7699 0.8205 6.1317 6.1332 6.6252 6.6258 6.9905 6.9974 7.5926 7.6025 7.8089 7.8134 7.9790 7.9884 9.6852 9.6891 9.7354 9.7370 10.2629 10.2632 14.2722 14.2782 14.3471 14.3480 14.5799 14.5800 16.3840 16.3911 k = 0.5005 0.4994 0.2217 ( 2730 PWs) bands (ev): -45.9881 -45.9881 -22.7324 -22.7315 -22.0916 -22.0915 -22.0702 -22.0691 -14.1701 -14.1701 -5.9377 -5.9352 -5.7192 -5.7131 -5.7093 -5.7092 -1.1378 -1.0934 0.5866 0.5878 0.7285 0.7795 6.1297 6.1312 6.6256 6.6261 7.0481 7.0578 7.5422 7.5488 7.8082 7.8188 7.9765 7.9857 9.7181 9.7220 9.7612 9.7628 10.2655 10.2658 14.2919 14.2975 14.3698 14.3707 14.5894 14.5896 16.4638 16.4710 k = 0.5005 0.4994 0.2342 ( 2728 PWs) bands (ev): -45.9880 -45.9880 -22.7329 -22.7320 -22.0915 -22.0914 -22.0716 -22.0704 -14.1676 -14.1675 -5.9170 -5.9144 -5.7122 -5.7057 -5.7030 -5.7030 -1.1635 -1.1187 0.5586 0.5598 0.6875 0.7384 6.1274 6.1287 6.6259 6.6265 7.1047 7.1173 7.4823 7.4868 7.8093 7.8257 7.9822 7.9907 9.7521 9.7560 9.7884 9.7900 10.2681 10.2686 14.3124 14.3175 14.3930 14.3938 14.5991 14.5994 16.5395 16.5470 k = 0.5006 0.4994 0.2466 ( 2728 PWs) bands (ev): -45.9880 -45.9880 -22.7334 -22.7325 -22.0914 -22.0913 -22.0730 -22.0718 -14.1649 -14.1649 -5.8960 -5.8932 -5.7052 -5.6982 -5.6968 -5.6965 -1.1891 -1.1442 0.5305 0.5319 0.6471 0.6977 6.1244 6.1256 6.6263 6.6269 7.1591 7.1752 7.4175 7.4209 7.8129 7.8342 7.9919 7.9998 9.7871 9.7909 9.8171 9.8187 10.2708 10.2713 14.3335 14.3383 14.4166 14.4174 14.6089 14.6092 16.6102 16.6182 k = 0.5006 0.4995 0.2590 ( 2728 PWs) bands (ev): -45.9880 -45.9880 -22.7339 -22.7330 -22.0913 -22.0912 -22.0743 -22.0732 -14.1623 -14.1623 -5.8750 -5.8720 -5.6982 -5.6909 -5.6902 -5.6898 -1.2145 -1.1697 0.5026 0.5041 0.6075 0.6574 6.1209 6.1220 6.6267 6.6272 7.2090 7.2288 7.3529 7.3559 7.8185 7.8443 8.0036 8.0108 9.8228 9.8265 9.8470 9.8487 10.2735 10.2741 14.3551 14.3595 14.4405 14.4412 14.6188 14.6192 16.6750 16.6837 k = 0.5006 0.4995 0.2715 ( 2728 PWs) bands (ev): -45.9879 -45.9879 -22.7344 -22.7335 -22.0912 -22.0911 -22.0757 -22.0745 -14.1597 -14.1597 -5.8539 -5.8508 -5.6914 -5.6844 -5.6830 -5.6828 -1.2396 -1.1951 0.4750 0.4767 0.5690 0.6179 6.1166 6.1176 6.6272 6.6276 7.2369 7.2529 7.3104 7.3151 7.8261 7.8558 8.0158 8.0226 9.8590 9.8626 9.8781 9.8798 10.2761 10.2769 14.3771 14.3810 14.4645 14.4652 14.6288 14.6292 16.7331 16.7426 k = 0.5006 0.4995 0.2839 ( 2740 PWs) bands (ev): -45.9879 -45.9879 -22.7350 -22.7341 -22.0912 -22.0911 -22.0771 -22.0759 -14.1572 -14.1572 -5.8330 -5.8297 -5.6847 -5.6781 -5.6762 -5.6754 -1.2641 -1.2203 0.4479 0.4498 0.5316 0.5792 6.1115 6.1125 6.6276 6.6280 7.1969 7.2016 7.3311 7.3509 7.8355 7.8686 8.0280 8.0345 9.8954 9.8988 9.9100 9.9119 10.2788 10.2796 14.3992 14.4028 14.4885 14.4892 14.6387 14.6392 16.7837 16.7945 k = 0.5007 0.4995 0.2964 ( 2736 PWs) bands (ev): -45.9879 -45.9879 -22.7355 -22.7346 -22.0911 -22.0910 -22.0783 -22.0772 -14.1546 -14.1546 -5.8124 -5.8089 -5.6782 -5.6719 -5.6692 -5.6680 -1.2880 -1.2452 0.4214 0.4235 0.4956 0.5417 6.1056 6.1065 6.6280 6.6284 7.1357 7.1383 7.3723 7.3974 7.8468 7.8829 8.0398 8.0460 9.9317 9.9349 9.9428 9.9447 10.2814 10.2824 14.4212 14.4245 14.5125 14.5131 14.6485 14.6491 16.8268 16.8389 k = 0.5007 0.4996 0.3088 ( 2732 PWs) bands (ev): -45.9878 -45.9878 -22.7359 -22.7351 -22.0910 -22.0909 -22.0795 -22.0784 -14.1522 -14.1522 -5.7923 -5.7884 -5.6719 -5.6658 -5.6623 -5.6607 -1.3111 -1.2694 0.3958 0.3980 0.4612 0.5054 6.0988 6.0996 6.6284 6.6288 7.0740 7.0760 7.4131 7.4417 7.8601 7.8985 8.0509 8.0569 9.9675 9.9703 9.9763 9.9782 10.2839 10.2851 14.4431 14.4460 14.5361 14.5367 14.6583 14.6589 16.8623 16.8760 k = 0.5007 0.4996 0.3213 ( 2742 PWs) bands (ev): -45.9878 -45.9878 -22.7365 -22.7356 -22.0909 -22.0908 -22.0808 -22.0797 -14.1498 -14.1498 -5.7727 -5.7686 -5.6659 -5.6597 -5.6554 -5.6536 -1.3333 -1.2930 0.3710 0.3734 0.4284 0.4706 6.0910 6.0916 6.6288 6.6292 7.0150 7.0166 7.4509 7.4820 7.8755 7.9155 8.0612 8.0671 10.0025 10.0045 10.0105 10.0119 10.2864 10.2877 14.4646 14.4673 14.5594 14.5600 14.6679 14.6686 16.8906 16.9061 k = 0.5008 0.4996 0.3337 ( 2738 PWs) bands (ev): -45.9878 -45.9878 -22.7369 -22.7361 -22.0908 -22.0907 -22.0819 -22.0809 -14.1475 -14.1475 -5.7538 -5.7494 -5.6601 -5.6539 -5.6487 -5.6468 -1.3544 -1.3158 0.3473 0.3500 0.3974 0.4374 6.0822 6.0828 6.6292 6.6296 6.9595 6.9610 7.4851 7.5177 7.8932 7.9338 8.0706 8.0765 10.0364 10.0375 10.0448 10.0457 10.2888 10.2903 14.4855 14.4879 14.5821 14.5827 14.6774 14.6780 16.9124 16.9297 k = 0.5008 0.4997 0.3462 ( 2746 PWs) bands (ev): -45.9877 -45.9877 -22.7373 -22.7366 -22.0908 -22.0907 -22.0831 -22.0821 -14.1453 -14.1453 -5.7358 -5.7310 -5.6546 -5.6481 -5.6421 -5.6403 -1.3744 -1.3376 0.3249 0.3277 0.3684 0.4058 6.0725 6.0729 6.6296 6.6299 6.9081 6.9094 7.5153 7.5484 7.9130 7.9531 8.0792 8.0851 10.0692 10.0696 10.0784 10.0791 10.2911 10.2928 14.5057 14.5079 14.6041 14.6047 14.6867 14.6873 16.9287 16.9478 k = 0.5008 0.4997 0.3586 ( 2746 PWs) bands (ev): -45.9877 -45.9877 -22.7377 -22.7370 -22.0908 -22.0906 -22.0841 -22.0831 -14.1432 -14.1432 -5.7189 -5.7136 -5.6494 -5.6425 -5.6359 -5.6341 -1.3930 -1.3584 0.3037 0.3068 0.3414 0.3761 6.0619 6.0622 6.6300 6.6303 6.8613 6.8624 7.5416 7.5742 7.9347 7.9731 8.0869 8.0929 10.1005 10.1006 10.1108 10.1114 10.2932 10.2952 14.5250 14.5269 14.6253 14.6258 14.6957 14.6963 16.9403 16.9613 k = 0.5008 0.4997 0.3710 ( 2746 PWs) bands (ev): -45.9877 -45.9877 -22.7381 -22.7374 -22.0907 -22.0906 -22.0850 -22.0841 -14.1412 -14.1412 -5.7031 -5.6974 -5.6444 -5.6371 -5.6299 -5.6283 -1.4102 -1.3780 0.2841 0.2873 0.3165 0.3483 6.0505 6.0508 6.6304 6.6306 6.8190 6.8200 7.5642 7.5954 7.9576 7.9933 8.0938 8.1000 10.1301 10.1306 10.1416 10.1423 10.2953 10.2975 14.5431 14.5449 14.6455 14.6459 14.7044 14.7050 16.9484 16.9710 k = 0.5009 0.4997 0.3835 ( 2750 PWs) bands (ev): -45.9876 -45.9876 -22.7385 -22.7378 -22.0907 -22.0906 -22.0859 -22.0850 -14.1394 -14.1394 -5.6886 -5.6823 -5.6397 -5.6319 -5.6243 -5.6229 -1.4260 -1.3963 0.2660 0.2693 0.2938 0.3226 6.0387 6.0389 6.6307 6.6309 6.7815 6.7824 7.5835 7.6124 7.9811 8.0134 8.0999 8.1063 10.1580 10.1589 10.1706 10.1714 10.2972 10.2998 14.5600 14.5616 14.6644 14.6649 14.7128 14.7134 16.9539 16.9779 k = 0.5009 0.4998 0.3959 ( 2752 PWs) bands (ev): -45.9876 -45.9876 -22.7388 -22.7382 -22.0907 -22.0906 -22.0867 -22.0859 -14.1378 -14.1377 -5.6756 -5.6688 -5.6352 -5.6268 -5.6190 -5.6179 -1.4402 -1.4132 0.2496 0.2529 0.2733 0.2991 6.0266 6.0268 6.6310 6.6312 6.7486 6.7494 7.5996 7.6259 8.0044 8.0326 8.1052 8.1120 10.1840 10.1852 10.1974 10.1984 10.2990 10.3019 14.5755 14.5769 14.6820 14.6824 14.7207 14.7213 16.9577 16.9826 k = 0.5009 0.4998 0.4084 ( 2752 PWs) bands (ev): -45.9876 -45.9876 -22.7390 -22.7385 -22.0907 -22.0906 -22.0873 -22.0866 -14.1363 -14.1363 -5.6642 -5.6569 -5.6308 -5.6218 -5.6143 -5.6135 -1.4527 -1.4286 0.2350 0.2383 0.2551 0.2777 6.0147 6.0148 6.6313 6.6315 6.7203 6.7210 7.6131 7.6364 8.0268 8.0504 8.1098 8.1171 10.2076 10.2093 10.2217 10.2229 10.3006 10.3040 14.5894 14.5906 14.6981 14.6985 14.7283 14.7288 16.9604 16.9857 k = 0.5010 0.4998 0.4208 ( 2753 PWs) bands (ev): -45.9876 -45.9876 -22.7393 -22.7388 -22.0908 -22.0907 -22.0878 -22.0872 -14.1349 -14.1349 -5.6546 -5.6470 -5.6263 -5.6171 -5.6099 -5.6094 -1.4635 -1.4424 0.2224 0.2255 0.2393 0.2587 6.0032 6.0032 6.6316 6.6317 6.6964 6.6970 7.6243 7.6444 8.0476 8.0663 8.1139 8.1218 10.2287 10.2307 10.2433 10.2448 10.3022 10.3061 14.6016 14.6026 14.7125 14.7128 14.7353 14.7358 16.9629 16.9877 k = 0.5010 0.4999 0.4333 ( 2764 PWs) bands (ev): -45.9876 -45.9876 -22.7395 -22.7392 -22.0909 -22.0908 -22.0883 -22.0878 -14.1338 -14.1338 -5.6466 -5.6395 -5.6216 -5.6127 -5.6061 -5.6059 -1.4725 -1.4546 0.2118 0.2146 0.2257 0.2420 5.9926 5.9926 6.6318 6.6319 6.6767 6.6771 7.6335 7.6503 8.0662 8.0800 8.1174 8.1260 10.2468 10.2493 10.2620 10.2636 10.3038 10.3083 14.6121 14.6129 14.7249 14.7251 14.7417 14.7421 16.9655 16.9884 k = 0.5010 0.4999 0.4457 ( 2772 PWs) bands (ev): -45.9876 -45.9876 -22.7397 -22.7394 -22.0910 -22.0909 -22.0886 -22.0882 -14.1329 -14.1329 -5.6404 -5.6342 -5.6166 -5.6089 -5.6028 -5.6027 -1.4797 -1.4650 0.2033 0.2056 0.2145 0.2278 5.9832 5.9832 6.6320 6.6321 6.6608 6.6611 7.6410 7.6546 8.0820 8.0910 8.1207 8.1297 10.2619 10.2648 10.2774 10.2792 10.3056 10.3106 14.6207 14.6214 14.7353 14.7354 14.7474 14.7477 16.9686 16.9878 k = 0.5010 0.4999 0.4581 ( 2786 PWs) bands (ev): -45.9876 -45.9876 -22.7399 -22.7397 -22.0911 -22.0911 -22.0889 -22.0886 -14.1321 -14.1321 -5.6356 -5.6309 -5.6120 -5.6059 -5.6001 -5.5999 -1.4850 -1.4737 0.1969 0.1986 0.2056 0.2160 5.9754 5.9755 6.6321 6.6322 6.6486 6.6489 7.6470 7.6573 8.0946 8.0993 8.1238 8.1328 10.2735 10.2767 10.2893 10.2910 10.3081 10.3131 14.6276 14.6281 14.7433 14.7433 14.7524 14.7525 16.9722 16.9853 k = 0.5011 0.4999 0.4706 ( 2800 PWs) bands (ev): -45.9876 -45.9876 -22.7401 -22.7399 -22.0913 -22.0913 -22.0890 -22.0888 -14.1316 -14.1316 -5.6322 -5.6290 -5.6082 -5.6040 -5.5978 -5.5977 -1.4884 -1.4805 0.1927 0.1935 0.1993 0.2068 5.9695 5.9696 6.6322 6.6323 6.6399 6.6401 7.6516 7.6588 8.1034 8.1051 8.1272 8.1350 10.2819 10.2848 10.2977 10.2987 10.3116 10.3157 14.6326 14.6329 14.7488 14.7489 14.7565 14.7565 16.9754 16.9812 k = 0.5011 0.5000 0.4830 ( 2800 PWs) bands (ev): -45.9875 -45.9875 -22.7401 -22.7400 -22.0914 -22.0914 -22.0891 -22.0890 -14.1312 -14.1312 -5.6299 -5.6281 -5.6054 -5.6032 -5.5963 -5.5962 -1.4899 -1.4855 0.1903 0.1905 0.1957 0.2002 5.9658 5.9658 6.6322 6.6323 6.6346 6.6347 7.6551 7.6590 8.1083 8.1087 8.1307 8.1357 10.2871 10.2891 10.3027 10.3029 10.3154 10.3177 14.6357 14.6359 14.7521 14.7522 14.7593 14.7594 16.9764 16.9774 k = 0.5011 0.5000 0.4955 ( 2800 PWs) bands (ev): -45.9875 -45.9875 -22.7401 -22.7401 -22.0914 -22.0914 -22.0891 -22.0891 -14.1311 -14.1311 -5.6286 -5.6282 -5.6038 -5.6033 -5.5956 -5.5956 -1.4895 -1.4885 0.1893 0.1893 0.1953 0.1963 5.9642 5.9642 6.6320 6.6320 6.6328 6.6328 7.6574 7.6582 8.1102 8.1102 8.1335 8.1346 10.2896 10.2901 10.3045 10.3045 10.3178 10.3182 14.6371 14.6371 14.7534 14.7534 14.7606 14.7606 16.9757 16.9757 k = 0.5011 0.5000 0.4955 ( 2800 PWs) bands (ev): -45.9875 -45.9875 -22.7401 -22.7401 -22.0914 -22.0914 -22.0891 -22.0891 -14.1311 -14.1311 -5.6286 -5.6282 -5.6038 -5.6033 -5.5956 -5.5956 -1.4895 -1.4885 0.1893 0.1893 0.1953 0.1963 5.9642 5.9642 6.6320 6.6320 6.6328 6.6328 7.6574 7.6582 8.1102 8.1102 8.1335 8.1346 10.2896 10.2901 10.3045 10.3045 10.3178 10.3182 14.6371 14.6371 14.7534 14.7534 14.7606 14.7606 16.9757 16.9757 k = 0.5000 0.4989 0.4977 ( 2800 PWs) bands (ev): -45.9875 -45.9875 -22.7401 -22.7401 -22.0914 -22.0914 -22.0891 -22.0891 -14.1311 -14.1311 -5.6284 -5.6284 -5.6035 -5.6035 -5.5955 -5.5955 -1.4890 -1.4890 0.1893 0.1893 0.1957 0.1957 5.9642 5.9642 6.6319 6.6319 6.6327 6.6327 7.6578 7.6578 8.1103 8.1103 8.1341 8.1341 10.2899 10.2899 10.3046 10.3046 10.3181 10.3181 14.6371 14.6371 14.7535 14.7535 14.7606 14.7606 16.9756 16.9758 k = 0.5000-0.0011-0.0011 ( 2762 PWs) bands (ev): -45.9895 -45.9895 -22.7128 -22.7128 -22.0764 -22.0764 -22.0391 -22.0391 -14.2741 -14.2741 -6.7380 -6.7380 -5.8003 -5.8003 -5.5437 -5.5437 -0.7205 -0.7205 1.1725 1.1725 1.3303 1.3303 6.4179 6.4179 7.6299 7.6299 7.6476 7.6476 8.2375 8.2375 8.2952 8.2952 8.5888 8.5888 8.7015 8.7015 9.4175 9.4175 9.5301 9.5301 12.7756 12.7756 14.0628 14.0628 14.1512 14.1512 14.7075 14.7075 k = 0.5000 0.0078 0.0078 ( 2752 PWs) bands (ev): -45.9895 -45.9895 -22.7128 -22.7128 -22.0764 -22.0763 -22.0391 -22.0391 -14.2740 -14.2740 -6.7372 -6.7372 -5.8001 -5.8001 -5.5441 -5.5440 -0.7208 -0.7206 1.1724 1.1724 1.3297 1.3297 6.4173 6.4179 7.6297 7.6304 7.6467 7.6476 8.2259 8.2294 8.2897 8.2901 8.5950 8.5956 8.7103 8.7108 9.4142 9.4150 9.5285 9.5286 12.7778 12.7779 14.0626 14.0630 14.1505 14.1516 14.7105 14.7113 k = 0.5001 0.0167 0.0166 ( 2750 PWs) bands (ev): -45.9895 -45.9895 -22.7129 -22.7128 -22.0764 -22.0763 -22.0392 -22.0392 -14.2736 -14.2736 -6.7350 -6.7349 -5.7997 -5.7997 -5.5452 -5.5451 -0.7214 -0.7210 1.1720 1.1720 1.3278 1.3279 6.4162 6.4173 7.6295 7.6312 7.6450 7.6465 8.1963 8.2030 8.2752 8.2761 8.6132 8.6141 8.7351 8.7359 9.4053 9.4068 9.5237 9.5239 12.7846 12.7847 14.0624 14.0632 14.1495 14.1515 14.7203 14.7220 k = 0.5001 0.0256 0.0255 ( 2748 PWs) bands (ev): -45.9895 -45.9895 -22.7130 -22.7129 -22.0765 -22.0763 -22.0394 -22.0394 -14.2730 -14.2730 -6.7312 -6.7311 -5.7990 -5.7990 -5.5470 -5.5468 -0.7225 -0.7217 1.1713 1.1714 1.3247 1.3249 6.4145 6.4161 7.6290 7.6321 7.6428 7.6445 8.1532 8.1624 8.2553 8.2564 8.6404 8.6412 8.7713 8.7722 9.3907 9.3930 9.5160 9.5162 12.7958 12.7959 14.0624 14.0636 14.1482 14.1512 14.7368 14.7392 k = 0.5002 0.0345 0.0344 ( 2752 PWs) bands (ev): -45.9895 -45.9895 -22.7132 -22.7130 -22.0766 -22.0764 -22.0397 -22.0397 -14.2722 -14.2722 -6.7260 -6.7258 -5.7980 -5.7980 -5.5496 -5.5493 -0.7239 -0.7229 1.1703 1.1703 1.3204 1.3208 6.4122 6.4144 7.6267 7.6326 7.6412 7.6420 8.1011 8.1125 8.2324 8.2335 8.6740 8.6747 8.8145 8.8153 9.3706 9.3736 9.5054 9.5057 12.8113 12.8115 14.0624 14.0640 14.1468 14.1506 14.7598 14.7629 k = 0.5002 0.0434 0.0433 ( 2752 PWs) bands (ev): -45.9895 -45.9895 -22.7134 -22.7132 -22.0768 -22.0765 -22.0401 -22.0401 -14.2712 -14.2712 -6.7192 -6.7189 -5.7967 -5.7967 -5.5527 -5.5524 -0.7258 -0.7245 1.1687 1.1688 1.3152 1.3158 6.4095 6.4122 7.6216 7.6307 7.6407 7.6409 8.0437 8.0571 8.2081 8.2092 8.7121 8.7125 8.8615 8.8620 9.3453 9.3490 9.4923 9.4926 12.8310 12.8312 14.0626 14.0645 14.1455 14.1499 14.7891 14.7928 k = 0.5002 0.0523 0.0522 ( 2755 PWs) bands (ev): -45.9895 -45.9895 -22.7137 -22.7134 -22.0769 -22.0766 -22.0406 -22.0406 -14.2699 -14.2699 -6.7110 -6.7107 -5.7952 -5.7952 -5.5565 -5.5561 -0.7282 -0.7266 1.1663 1.1665 1.3090 1.3100 6.4062 6.4094 7.6134 7.6250 7.6414 7.6418 7.9836 7.9991 8.1836 8.1845 8.7535 8.7537 8.9102 8.9102 9.3149 9.3194 9.4769 9.4773 12.8547 12.8550 14.0631 14.0654 14.1442 14.1493 14.8243 14.8285 k = 0.5003 0.0612 0.0611 ( 2749 PWs) bands (ev): -45.9894 -45.9894 -22.7139 -22.7136 -22.0771 -22.0767 -22.0410 -22.0410 -14.2684 -14.2684 -6.7013 -6.7009 -5.7934 -5.7934 -5.5609 -5.5604 -0.7312 -0.7291 1.1629 1.1633 1.3021 1.3036 6.4026 6.4063 7.6020 7.6161 7.6430 7.6432 7.9227 7.9405 8.1594 8.1602 8.7974 8.7974 8.9587 8.9593 9.2798 9.2851 9.4597 9.4600 12.8822 12.8825 14.0640 14.0665 14.1433 14.1488 14.8653 14.8698 k = 0.5003 0.0701 0.0700 ( 2751 PWs) bands (ev): -45.9894 -45.9894 -22.7143 -22.7139 -22.0773 -22.0768 -22.0416 -22.0416 -14.2667 -14.2667 -6.6901 -6.6897 -5.7913 -5.7913 -5.5658 -5.5652 -0.7348 -0.7323 1.1583 1.1589 1.2947 1.2968 6.3986 6.4027 7.5869 7.6036 7.6446 7.6447 7.8632 7.8834 8.1360 8.1366 8.8429 8.8431 9.0064 9.0080 9.2404 9.2467 9.4410 9.4412 12.9132 12.9137 14.0652 14.0680 14.1427 14.1485 14.9115 14.9163 k = 0.5004 0.0790 0.0789 ( 2751 PWs) bands (ev): -45.9894 -45.9894 -22.7146 -22.7142 -22.0775 -22.0770 -22.0423 -22.0423 -14.2648 -14.2648 -6.6776 -6.6771 -5.7889 -5.7889 -5.5712 -5.5706 -0.7391 -0.7361 1.1521 1.1531 1.2870 1.2899 6.3944 6.3989 7.5670 7.5862 7.6456 7.6461 7.8073 7.8298 8.1138 8.1142 8.8898 8.8902 9.0521 9.0555 9.1972 9.2054 9.4213 9.4215 12.9476 12.9481 14.0670 14.0700 14.1426 14.1487 14.9628 14.9678 k = 0.5004 0.0879 0.0878 ( 2752 PWs) bands (ev): -45.9894 -45.9894 -22.7151 -22.7145 -22.0777 -22.0772 -22.0430 -22.0430 -14.2627 -14.2627 -6.6636 -6.6631 -5.7864 -5.7863 -5.5770 -5.5763 -0.7442 -0.7405 1.1440 1.1455 1.2791 1.2831 6.3899 6.3947 7.5411 7.5619 7.6461 7.6468 7.7577 7.7817 8.0930 8.0931 8.9377 8.9384 9.0908 9.0991 9.1531 9.1661 9.4012 9.4012 12.9851 12.9856 14.0694 14.0726 14.1431 14.1494 15.0187 15.0238 k = 0.5004 0.0969 0.0966 ( 2749 PWs) bands (ev): -45.9893 -45.9893 -22.7155 -22.7149 -22.0780 -22.0774 -22.0438 -22.0438 -14.2604 -14.2604 -6.6483 -6.6477 -5.7835 -5.7835 -5.5831 -5.5824 -0.7500 -0.7458 1.1339 1.1359 1.2713 1.2765 6.3852 6.3904 7.5082 7.5289 7.6455 7.6466 7.7171 7.7407 8.0736 8.0736 8.9859 8.9872 9.0886 9.0924 9.1548 9.1634 9.3810 9.3813 13.0253 13.0259 14.0725 14.0759 14.1442 14.1507 15.0789 15.0840 k = 0.5005 0.1058 0.1055 ( 2745 PWs) bands (ev): -45.9893 -45.9893 -22.7159 -22.7153 -22.0782 -22.0776 -22.0447 -22.0447 -14.2580 -14.2579 -6.6317 -6.6310 -5.7804 -5.7804 -5.5895 -5.5887 -0.7567 -0.7518 1.1216 1.1242 1.2636 1.2701 6.3805 6.3858 7.4688 7.4874 7.6436 7.6452 7.6858 7.7070 8.0555 8.0558 9.0274 9.0327 9.0449 9.0504 9.1963 9.1991 9.3617 9.3623 13.0680 13.0687 14.0763 14.0798 14.1462 14.1527 15.1430 15.1482 k = 0.5005 0.1147 0.1144 ( 2743 PWs) bands (ev): -45.9893 -45.9893 -22.7164 -22.7158 -22.0785 -22.0778 -22.0456 -22.0456 -14.2553 -14.2553 -6.6138 -6.6130 -5.7771 -5.7771 -5.5962 -5.5953 -0.7644 -0.7587 1.1071 1.1103 1.2559 1.2639 6.3757 6.3812 7.4243 7.4397 7.6399 7.6420 7.6621 7.6800 8.0390 8.0396 8.9848 8.9861 9.0860 9.0863 9.2385 9.2389 9.3440 9.3452 13.1130 13.1138 14.0810 14.0846 14.1489 14.1554 15.2108 15.2159 k = 0.5006 0.1236 0.1233 ( 2744 PWs) bands (ev): -45.9892 -45.9892 -22.7169 -22.7163 -22.0788 -22.0780 -22.0466 -22.0466 -14.2525 -14.2524 -6.5946 -6.5937 -5.7736 -5.7736 -5.6029 -5.6020 -0.7730 -0.7665 1.0904 1.0942 1.2480 1.2577 6.3710 6.3766 7.3770 7.3891 7.6332 7.6352 7.6448 7.6586 8.0240 8.0249 8.9267 8.9293 9.1335 9.1339 9.2770 9.2791 9.3295 9.3324 13.1600 13.1609 14.0865 14.0903 14.1525 14.1591 15.2818 15.2869 k = 0.5006 0.1325 0.1322 ( 2746 PWs) bands (ev): -45.9892 -45.9892 -22.7175 -22.7168 -22.0791 -22.0783 -22.0477 -22.0476 -14.2495 -14.2494 -6.5742 -6.5733 -5.7698 -5.7698 -5.6098 -5.6088 -0.7826 -0.7753 1.0718 1.0762 1.2398 1.2511 6.3664 6.3719 7.3289 7.3379 7.6220 7.6221 7.6345 7.6424 8.0104 8.0115 8.8668 8.8699 9.1781 9.1789 9.3048 9.3111 9.3272 9.3340 13.2087 13.2096 14.0930 14.0969 14.1570 14.1636 15.3557 15.3608 k = 0.5006 0.1414 0.1411 ( 2744 PWs) bands (ev): -45.9891 -45.9891 -22.7181 -22.7173 -22.0794 -22.0786 -22.0488 -22.0487 -14.2463 -14.2463 -6.5526 -6.5516 -5.7659 -5.7658 -5.6166 -5.6156 -0.7933 -0.7851 1.0514 1.0563 1.2309 1.2440 6.3619 6.3673 7.2817 7.2879 7.6068 7.6068 7.6253 7.6299 7.9982 7.9995 8.8058 8.8090 9.2151 9.2164 9.3140 9.3162 9.3604 9.3632 13.2589 13.2598 14.1005 14.1044 14.1626 14.1691 15.4323 15.4373 k = 0.5007 0.1503 0.1500 ( 2746 PWs) bands (ev): -45.9891 -45.9891 -22.7187 -22.7179 -22.0798 -22.0789 -22.0499 -22.0499 -14.2430 -14.2430 -6.5299 -6.5288 -5.7617 -5.7617 -5.6234 -5.6224 -0.8051 -0.7959 1.0293 1.0348 1.2211 1.2359 6.3576 6.3628 7.2366 7.2402 7.5895 7.5914 7.6144 7.6177 7.9870 7.9885 8.7441 8.7474 9.2366 9.2381 9.3341 9.3349 9.3972 9.3984 13.3103 13.3113 14.1089 14.1129 14.1692 14.1756 15.5111 15.5160 k = 0.5007 0.1592 0.1589 ( 2746 PWs) bands (ev): -45.9890 -45.9890 -22.7193 -22.7185 -22.0801 -22.0792 -22.0511 -22.0511 -14.2396 -14.2396 -6.5062 -6.5050 -5.7574 -5.7574 -5.6300 -5.6290 -0.8179 -0.8077 1.0058 1.0118 1.2101 1.2267 6.3535 6.3583 7.1944 7.1956 7.5712 7.5757 7.6012 7.6041 7.9768 7.9785 8.6822 8.6855 9.2439 9.2453 9.3701 9.3706 9.4332 9.4336 13.3626 13.3637 14.1184 14.1224 14.1768 14.1831 15.5919 15.5967 k = 0.5008 0.1681 0.1677 ( 2748 PWs) bands (ev): -45.9890 -45.9890 -22.7200 -22.7192 -22.0805 -22.0795 -22.0524 -22.0523 -14.2361 -14.2361 -6.4814 -6.4802 -5.7530 -5.7529 -5.6364 -5.6353 -0.8318 -0.8205 0.9810 0.9874 1.1976 1.2160 6.3496 6.3539 7.1548 7.1559 7.5520 7.5593 7.5856 7.5885 7.9673 7.9692 8.6209 8.6240 9.2467 9.2478 9.4132 9.4138 9.4681 9.4683 13.4157 13.4168 14.1289 14.1329 14.1856 14.1918 15.6743 15.6790 k = 0.5008 0.1770 0.1766 ( 2746 PWs) bands (ev): -45.9890 -45.9890 -22.7207 -22.7198 -22.0808 -22.0799 -22.0536 -22.0536 -14.2325 -14.2325 -6.4557 -6.4543 -5.7483 -5.7482 -5.6426 -5.6415 -0.8467 -0.8344 0.9551 0.9619 1.1834 1.2037 6.3458 6.3496 7.1181 7.1216 7.5318 7.5421 7.5676 7.5706 7.9585 7.9605 8.5605 8.5635 9.2501 9.2509 9.4584 9.4592 9.5020 9.5025 13.4692 13.4704 14.1404 14.1444 14.1955 14.2016 15.7580 15.7627 k = 0.5008 0.1859 0.1855 ( 2746 PWs) bands (ev): -45.9889 -45.9889 -22.7214 -22.7205 -22.0812 -22.0802 -22.0549 -22.0549 -14.2288 -14.2287 -6.4291 -6.4276 -5.7436 -5.7434 -5.6484 -5.6472 -0.8627 -0.8493 0.9282 0.9354 1.1673 1.1895 6.3422 6.3454 7.0859 7.0918 7.5103 7.5237 7.5470 7.5504 7.9502 7.9523 8.5018 8.5045 9.2561 9.2567 9.5034 9.5045 9.5357 9.5364 13.5231 13.5244 14.1529 14.1570 14.2065 14.2125 15.8428 15.8473 k = 0.5009 0.1948 0.1944 ( 2744 PWs) bands (ev): -45.9888 -45.9888 -22.7221 -22.7212 -22.0816 -22.0806 -22.0563 -22.0562 -14.2250 -14.2249 -6.4017 -6.4001 -5.7387 -5.7385 -5.6539 -5.6526 -0.8797 -0.8651 0.9005 0.9081 1.1492 1.1732 6.3387 6.3411 7.0584 7.0669 7.4874 7.5041 7.5240 7.5277 7.9421 7.9443 8.4454 8.4477 9.2654 9.2659 9.5462 9.5477 9.5705 9.5711 13.5771 13.5784 14.1665 14.1705 14.2187 14.2245 15.9282 15.9326 k = 0.5009 0.2038 0.2033 ( 2744 PWs) bands (ev): -45.9888 -45.9888 -22.7228 -22.7219 -22.0820 -22.0809 -22.0576 -22.0576 -14.2211 -14.2211 -6.3735 -6.3718 -5.7337 -5.7335 -5.6589 -5.6576 -0.8977 -0.8820 0.8721 0.8800 1.1290 1.1548 6.3352 6.3369 7.0359 7.0471 7.4629 7.4829 7.4987 7.5027 7.9344 7.9366 8.3917 8.3938 9.2785 9.2788 9.5840 9.5860 9.6087 9.6091 13.6310 13.6324 14.1810 14.1849 14.2320 14.2377 16.0140 16.0183 k = 0.5010 0.2127 0.2122 ( 2742 PWs) bands (ev): -45.9887 -45.9887 -22.7235 -22.7226 -22.0823 -22.0813 -22.0590 -22.0590 -14.2172 -14.2172 -6.3446 -6.3428 -5.7286 -5.7284 -5.6634 -5.6620 -0.9166 -0.8997 0.8431 0.8513 1.1065 1.1341 6.3317 6.3326 7.0182 7.0324 7.4366 7.4601 7.4711 7.4754 7.9268 7.9291 8.3415 8.3433 9.2953 9.2955 9.6170 9.6192 9.6500 9.6504 13.6847 13.6861 14.1964 14.2003 14.2464 14.2520 16.0999 16.1041 k = 0.5010 0.2216 0.2211 ( 2740 PWs) bands (ev): -45.9887 -45.9887 -22.7242 -22.7233 -22.0827 -22.0817 -22.0604 -22.0604 -14.2132 -14.2132 -6.3151 -6.3133 -5.7235 -5.7232 -5.6673 -5.6660 -0.9363 -0.9184 0.8136 0.8221 1.0818 1.1111 6.3280 6.3281 7.0054 7.0229 7.4085 7.4355 7.4416 7.4460 7.9193 7.9215 8.2953 8.2969 9.3157 9.3159 9.6473 9.6497 9.6921 9.6926 13.7379 13.7393 14.2127 14.2165 14.2619 14.2673 16.1855 16.1896 k = 0.5010 0.2305 0.2300 ( 2739 PWs) bands (ev): -45.9886 -45.9886 -22.7250 -22.7240 -22.0831 -22.0820 -22.0618 -22.0617 -14.2092 -14.2092 -6.2851 -6.2831 -5.7184 -5.7180 -5.6707 -5.6693 -0.9569 -0.9379 0.7838 0.7925 1.0549 1.0858 6.3235 6.3241 6.9971 7.0182 7.3787 7.4080 7.4116 7.4147 7.9118 7.9140 8.2536 8.2550 9.3397 9.3397 9.6762 9.6787 9.7337 9.7343 13.7906 13.7920 14.2298 14.2336 14.2784 14.2836 16.2704 16.2744 k = 0.5011 0.2394 0.2388 ( 2739 PWs) bands (ev): -45.9886 -45.9886 -22.7258 -22.7248 -22.0835 -22.0824 -22.0632 -22.0632 -14.2052 -14.2052 -6.2547 -6.2526 -5.7133 -5.7128 -5.6735 -5.6720 -0.9783 -0.9582 0.7537 0.7627 1.0258 1.0583 6.3186 6.3199 6.9929 7.0181 7.3473 7.3755 7.3818 7.3837 7.9045 7.9064 8.2167 8.2179 9.3669 9.3670 9.7042 9.7069 9.7742 9.7749 13.8425 13.8439 14.2478 14.2514 14.2959 14.3009 16.3544 16.3583 k = 0.5011 0.2483 0.2477 ( 2735 PWs) bands (ev): -45.9885 -45.9885 -22.7265 -22.7255 -22.0839 -22.0828 -22.0646 -22.0646 -14.2012 -14.2012 -6.2238 -6.2216 -5.7083 -5.7076 -5.6756 -5.6739 -1.0003 -0.9791 0.7236 0.7327 0.9946 1.0286 6.3134 6.3152 6.9920 7.0218 7.3149 7.3409 7.3478 7.3562 7.8972 7.8987 8.1847 8.1859 9.3971 9.3973 9.7316 9.7343 9.8135 9.8143 13.8935 13.8950 14.2664 14.2700 14.3143 14.3191 16.4371 16.4408 k = 0.5012 0.2572 0.2566 ( 2738 PWs) bands (ev): -45.9885 -45.9885 -22.7273 -22.7263 -22.0843 -22.0832 -22.0661 -22.0660 -14.1972 -14.1972 -6.1927 -6.1904 -5.7034 -5.7026 -5.6769 -5.6751 -1.0229 -1.0008 0.6934 0.7027 0.9615 0.9969 6.3078 6.3100 6.9932 7.0281 7.2823 7.3051 7.3131 7.3293 7.8901 7.8911 8.1578 8.1590 9.4301 9.4303 9.7584 9.7612 9.8514 9.8522 13.9435 13.9450 14.2858 14.2892 14.3335 14.3381 16.5180 16.5216 k = 0.5012 0.2661 0.2655 ( 2738 PWs) bands (ev): -45.9884 -45.9884 -22.7280 -22.7271 -22.0847 -22.0836 -22.0674 -22.0674 -14.1932 -14.1932 -6.1614 -6.1590 -5.6988 -5.6977 -5.6775 -5.6755 -1.0461 -1.0230 0.6633 0.6727 0.9267 0.9632 6.3017 6.3042 6.9949 7.0348 7.2506 7.2685 7.2793 7.3049 7.8834 7.8836 8.1356 8.1368 9.4656 9.4659 9.7847 9.7876 9.8877 9.8886 13.9925 13.9939 14.3057 14.3091 14.3534 14.3578 16.5967 16.6002 k = 0.5013 0.2750 0.2744 ( 2740 PWs) bands (ev): -45.9883 -45.9883 -22.7288 -22.7278 -22.0850 -22.0840 -22.0689 -22.0688 -14.1892 -14.1892 -6.1300 -6.1275 -5.6946 -5.6933 -5.6770 -5.6748 -1.0697 -1.0457 0.6334 0.6428 0.8902 0.9279 6.2950 6.2978 6.9947 7.0385 7.2201 7.2313 7.2498 7.2852 7.8765 7.8773 8.1179 8.1191 9.5032 9.5035 9.8107 9.8136 9.9224 9.9234 14.0402 14.0416 14.3262 14.3294 14.3740 14.3782 16.6728 16.6761 k = 0.5013 0.2839 0.2833 ( 2744 PWs) bands (ev): -45.9883 -45.9883 -22.7295 -22.7286 -22.0854 -22.0844 -22.0703 -22.0702 -14.1853 -14.1853 -6.0986 -6.0961 -5.6908 -5.6893 -5.6754 -5.6731 -1.0936 -1.0688 0.6037 0.6133 0.8525 0.8910 6.2877 6.2905 6.9899 7.0342 7.1881 7.1938 7.2327 7.2729 7.8699 7.8722 8.1041 8.1053 9.5426 9.5431 9.8364 9.8394 9.9556 9.9566 14.0866 14.0880 14.3472 14.3503 14.3951 14.3991 16.7456 16.7488 k = 0.5013 0.2928 0.2922 ( 2746 PWs) bands (ev): -45.9882 -45.9882 -22.7303 -22.7294 -22.0858 -22.0848 -22.0717 -22.0716 -14.1815 -14.1815 -6.0673 -6.0647 -5.6876 -5.6861 -5.6727 -5.6703 -1.1178 -1.0923 0.5745 0.5840 0.8137 0.8529 6.2796 6.2823 6.9785 7.0187 7.1533 7.1563 7.2327 7.2702 7.8643 7.8682 8.0937 8.0949 9.5836 9.5841 9.8619 9.8648 9.9871 9.9882 14.1315 14.1329 14.3686 14.3715 14.4166 14.4204 16.8147 16.8177 k = 0.5014 0.3017 0.3011 ( 2750 PWs) bands (ev): -45.9882 -45.9882 -22.7310 -22.7301 -22.0862 -22.0852 -22.0730 -22.0729 -14.1777 -14.1777 -6.0362 -6.0336 -5.6847 -5.6832 -5.6689 -5.6667 -1.1422 -1.1160 0.5458 0.5553 0.7740 0.8138 6.2705 6.2731 6.9603 6.9935 7.1172 7.1190 7.2472 7.2774 7.8597 7.8656 8.0862 8.0873 9.6257 9.6264 9.8872 9.8901 10.0170 10.0181 14.1749 14.1762 14.3903 14.3930 14.4384 14.4420 16.8792 16.8821 k = 0.5014 0.3107 0.3100 ( 2744 PWs) bands (ev): -45.9881 -45.9881 -22.7317 -22.7308 -22.0865 -22.0856 -22.0743 -22.0742 -14.1740 -14.1740 -6.0054 -6.0028 -5.6819 -5.6805 -5.6646 -5.6626 -1.1666 -1.1399 0.5176 0.5270 0.7338 0.7739 6.2604 6.2628 6.9364 6.9626 7.0809 7.0821 7.2714 7.2933 7.8566 7.8646 8.0812 8.0822 9.6689 9.6696 9.9123 9.9152 10.0452 10.0464 14.2167 14.2179 14.4123 14.4149 14.4604 14.4637 16.9386 16.9413 k = 0.5015 0.3196 0.3188 ( 2742 PWs) bands (ev): -45.9881 -45.9881 -22.7324 -22.7315 -22.0868 -22.0859 -22.0756 -22.0755 -14.1705 -14.1704 -5.9750 -5.9724 -5.6789 -5.6776 -5.6600 -5.6582 -1.1909 -1.1639 0.4901 0.4994 0.6933 0.7336 6.2492 6.2513 6.9090 6.9292 7.0448 7.0457 7.3015 7.3158 7.8550 7.8655 8.0781 8.0791 9.7126 9.7134 9.9373 9.9402 10.0718 10.0731 14.2568 14.2579 14.4345 14.4369 14.4824 14.4855 16.9920 16.9945 k = 0.5015 0.3285 0.3277 ( 2742 PWs) bands (ev): -45.9880 -45.9880 -22.7331 -22.7322 -22.0872 -22.0863 -22.0768 -22.0767 -14.1670 -14.1670 -5.9451 -5.9426 -5.6758 -5.6745 -5.6553 -5.6536 -1.2151 -1.1878 0.4634 0.4726 0.6528 0.6931 6.2366 6.2385 6.8800 6.8955 7.0093 7.0101 7.3350 7.3426 7.8552 7.8684 8.0766 8.0775 9.7566 9.7575 9.9622 9.9650 10.0968 10.0982 14.2950 14.2960 14.4569 14.4591 14.5044 14.5073 17.0385 17.0408 k = 0.5015 0.3374 0.3366 ( 2744 PWs) bands (ev): -45.9880 -45.9880 -22.7337 -22.7329 -22.0875 -22.0866 -22.0781 -22.0779 -14.1636 -14.1636 -5.9159 -5.9134 -5.6724 -5.6711 -5.6506 -5.6490 -1.2390 -1.2116 0.4375 0.4465 0.6126 0.6526 6.2228 6.2243 6.8508 6.8627 6.9747 6.9753 7.3704 7.3720 7.8575 7.8734 8.0764 8.0772 9.8007 9.8017 9.9871 9.9897 10.1203 10.1217 14.3313 14.3321 14.4794 14.4813 14.5261 14.5288 17.0774 17.0795 k = 0.5016 0.3463 0.3455 ( 2746 PWs) bands (ev): -45.9879 -45.9879 -22.7344 -22.7336 -22.0878 -22.0870 -22.0792 -22.0791 -14.1603 -14.1603 -5.8874 -5.8850 -5.6688 -5.6673 -5.6459 -5.6444 -1.2625 -1.2352 0.4126 0.4213 0.5729 0.6125 6.2075 6.2088 6.8226 6.8317 6.9411 6.9416 7.4027 7.4063 7.8621 7.8806 8.0772 8.0780 9.8445 9.8456 10.0117 10.0143 10.1422 10.1436 14.3656 14.3662 14.5019 14.5037 14.5475 14.5500 17.1081 17.1100 k = 0.5016 0.3552 0.3544 ( 2744 PWs) bands (ev): -45.9879 -45.9879 -22.7349 -22.7342 -22.0881 -22.0873 -22.0803 -22.0802 -14.1572 -14.1572 -5.8598 -5.8575 -5.6649 -5.6633 -5.6414 -5.6398 -1.2855 -1.2584 0.3887 0.3971 0.5342 0.5730 6.1910 6.1921 6.7960 6.8030 6.9086 6.9091 7.4335 7.4416 7.8691 7.8903 8.0789 8.0797 9.8878 9.8890 10.0363 10.0387 10.1625 10.1640 14.3978 14.3983 14.5244 14.5259 14.5684 14.5707 17.1301 17.1320 k = 0.5017 0.3641 0.3633 ( 2744 PWs) bands (ev): -45.9878 -45.9878 -22.7355 -22.7348 -22.0883 -22.0877 -22.0814 -22.0812 -14.1542 -14.1542 -5.8331 -5.8310 -5.6609 -5.6591 -5.6369 -5.6354 -1.3078 -1.2811 0.3658 0.3739 0.4965 0.5344 6.1734 6.1741 6.7715 6.7768 6.8775 6.8779 7.4633 7.4754 7.8788 7.9024 8.0812 8.0820 9.9302 9.9315 10.0606 10.0629 10.1814 10.1830 14.4279 14.4281 14.5468 14.5481 14.5887 14.5908 17.1436 17.1454 k = 0.5017 0.3730 0.3722 ( 2743 PWs) bands (ev): -45.9878 -45.9878 -22.7361 -22.7354 -22.0886 -22.0880 -22.0824 -22.0822 -14.1514 -14.1514 -5.8075 -5.8057 -5.6567 -5.6546 -5.6327 -5.6311 -1.3294 -1.3033 0.3441 0.3518 0.4601 0.4969 6.1547 6.1553 6.7494 6.7533 6.8478 6.8482 7.4915 7.5068 7.8914 7.9168 8.0840 8.0848 9.9715 9.9730 10.0847 10.0869 10.1988 10.2005 14.4558 14.4558 14.5690 14.5700 14.6083 14.6102 17.1491 17.1509 k = 0.5017 0.3819 0.3811 ( 2744 PWs) bands (ev): -45.9878 -45.9878 -22.7366 -22.7359 -22.0889 -22.0883 -22.0833 -22.0831 -14.1487 -14.1487 -5.7830 -5.7816 -5.6524 -5.6500 -5.6285 -5.6270 -1.3501 -1.3248 0.3236 0.3309 0.4254 0.4607 6.1354 6.1358 6.7296 6.7326 6.8197 6.8200 7.5175 7.5351 7.9067 7.9335 8.0871 8.0879 10.0114 10.0130 10.1084 10.1104 10.2148 10.2167 14.4813 14.4814 14.5908 14.5916 14.6271 14.6288 17.1473 17.1493 k = 0.5018 0.3908 0.3899 ( 2748 PWs) bands (ev): -45.9877 -45.9877 -22.7371 -22.7365 -22.0891 -22.0886 -22.0842 -22.0840 -14.1462 -14.1462 -5.7599 -5.7588 -5.6481 -5.6454 -5.6246 -5.6231 -1.3699 -1.3454 0.3044 0.3112 0.3925 0.4262 6.1156 6.1159 6.7122 6.7144 6.7933 6.7936 7.5409 7.5601 7.9248 7.9520 8.0905 8.0914 10.0496 10.0514 10.1316 10.1334 10.2295 10.2315 14.5047 14.5050 14.6120 14.6125 14.6450 14.6465 17.1395 17.1419 k = 0.5018 0.3997 0.3988 ( 2746 PWs) bands (ev): -45.9877 -45.9877 -22.7375 -22.7369 -22.0894 -22.0889 -22.0850 -22.0848 -14.1439 -14.1439 -5.7382 -5.7376 -5.6439 -5.6407 -5.6208 -5.6193 -1.3885 -1.3652 0.2865 0.2929 0.3616 0.3934 6.0959 6.0960 6.6971 6.6987 6.7687 6.7689 7.5616 7.5815 7.9451 7.9719 8.0940 8.0950 10.0858 10.0879 10.1541 10.1558 10.2429 10.2450 14.5260 14.5264 14.6324 14.6328 14.6618 14.6632 17.1269 17.1300 k = 0.5019 0.4086 0.4077 ( 2744 PWs) bands (ev): -45.9877 -45.9877 -22.7379 -22.7374 -22.0896 -22.0892 -22.0858 -22.0855 -14.1417 -14.1417 -5.7180 -5.7180 -5.6397 -5.6360 -5.6173 -5.6158 -1.4058 -1.3838 0.2700 0.2759 0.3329 0.3626 6.0764 6.0765 6.6840 6.6852 6.7459 6.7461 7.5797 7.5994 7.9670 7.9927 8.0975 8.0987 10.1198 10.1222 10.1758 10.1774 10.2550 10.2572 14.5452 14.5458 14.6519 14.6521 14.6775 14.6788 17.1110 17.1147 k = 0.5019 0.4176 0.4166 ( 2742 PWs) bands (ev): -45.9876 -45.9876 -22.7383 -22.7378 -22.0898 -22.0895 -22.0864 -22.0861 -14.1398 -14.1398 -5.7001 -5.6995 -5.6356 -5.6314 -5.6140 -5.6124 -1.4218 -1.4013 0.2549 0.2602 0.3065 0.3340 6.0577 6.0577 6.6729 6.6738 6.7250 6.7252 7.5953 7.6142 7.9897 8.0135 8.1010 8.1024 10.1514 10.1540 10.1965 10.1980 10.2658 10.2683 14.5625 14.5632 14.6701 14.6702 14.6921 14.6932 17.0930 17.0974 k = 0.5019 0.4265 0.4255 ( 2748 PWs) bands (ev): -45.9876 -45.9876 -22.7386 -22.7382 -22.0900 -22.0898 -22.0870 -22.0867 -14.1380 -14.1380 -5.6841 -5.6827 -5.6317 -5.6269 -5.6109 -5.6094 -1.4363 -1.4175 0.2414 0.2461 0.2827 0.3077 6.0399 6.0399 6.6635 6.6641 6.7061 6.7063 7.6086 7.6262 8.0125 8.0339 8.1043 8.1062 10.1801 10.1831 10.2160 10.2174 10.2755 10.2782 14.5780 14.5786 14.6869 14.6869 14.7054 14.7063 17.0738 17.0790 k = 0.5020 0.4354 0.4344 ( 2750 PWs) bands (ev): -45.9876 -45.9876 -22.7389 -22.7386 -22.0902 -22.0901 -22.0875 -22.0872 -14.1364 -14.1364 -5.6702 -5.6679 -5.6278 -5.6225 -5.6080 -5.6066 -1.4493 -1.4323 0.2293 0.2334 0.2616 0.2839 6.0235 6.0235 6.6556 6.6561 6.6893 6.6894 7.6199 7.6358 8.0344 8.0529 8.1076 8.1101 10.2059 10.2093 10.2340 10.2355 10.2841 10.2869 14.5916 14.5922 14.7021 14.7022 14.7174 14.7181 17.0546 17.0599 k = 0.5020 0.4443 0.4433 ( 2756 PWs) bands (ev): -45.9876 -45.9876 -22.7392 -22.7389 -22.0905 -22.0904 -22.0880 -22.0877 -14.1350 -14.1350 -5.6584 -5.6553 -5.6240 -5.6181 -5.6054 -5.6040 -1.4605 -1.4455 0.2188 0.2222 0.2433 0.2627 6.0087 6.0087 6.6491 6.6494 6.6746 6.6747 7.6293 7.6433 8.0549 8.0698 8.1108 8.1140 10.2283 10.2321 10.2506 10.2521 10.2916 10.2946 14.6034 14.6040 14.7155 14.7156 14.7280 14.7286 17.0361 17.0407 k = 0.5021 0.4532 0.4522 ( 2760 PWs) bands (ev): -45.9876 -45.9876 -22.7395 -22.7392 -22.0907 -22.0906 -22.0883 -22.0880 -14.1338 -14.1338 -5.6488 -5.6452 -5.6200 -5.6139 -5.6030 -5.6018 -1.4701 -1.4572 0.2099 0.2126 0.2278 0.2442 5.9958 5.9958 6.6439 6.6441 6.6620 6.6621 7.6372 7.6491 8.0730 8.0840 8.1139 8.1183 10.2471 10.2512 10.2655 10.2669 10.2981 10.3013 14.6134 14.6140 14.7270 14.7272 14.7373 14.7377 17.0192 17.0219 k = 0.5021 0.4621 0.4611 ( 2778 PWs) bands (ev): -45.9876 -45.9876 -22.7397 -22.7395 -22.0909 -22.0909 -22.0887 -22.0884 -14.1329 -14.1329 -5.6414 -5.6377 -5.6158 -5.6101 -5.6008 -5.5999 -1.4778 -1.4671 0.2026 0.2045 0.2154 0.2286 5.9848 5.9849 6.6397 6.6398 6.6516 6.6517 7.6436 7.6534 8.0880 8.0948 8.1173 8.1231 10.2623 10.2663 10.2786 10.2798 10.3037 10.3070 14.6217 14.6222 14.7364 14.7367 14.7451 14.7454 17.0046 17.0055 k = 0.5021 0.4710 0.4699 ( 2796 PWs) bands (ev): -45.9876 -45.9876 -22.7399 -22.7397 -22.0911 -22.0911 -22.0889 -22.0887 -14.1321 -14.1321 -5.6359 -5.6327 -5.6116 -5.6069 -5.5989 -5.5983 -1.4836 -1.4753 0.1969 0.1980 0.2059 0.2159 5.9761 5.9761 6.6365 6.6366 6.6434 6.6435 7.6488 7.6563 8.0991 8.1021 8.1213 8.1281 10.2739 10.2774 10.2896 10.2903 10.3086 10.3117 14.6282 14.6286 14.7438 14.7440 14.7515 14.7517 16.9924 16.9933 k = 0.5022 0.4799 0.4788 ( 2800 PWs) bands (ev): -45.9876 -45.9876 -22.7400 -22.7399 -22.0913 -22.0913 -22.0890 -22.0889 -14.1316 -14.1315 -5.6321 -5.6298 -5.6079 -5.6046 -5.5972 -5.5970 -1.4875 -1.4816 0.1928 0.1933 0.1995 0.2062 5.9697 5.9697 6.6342 6.6343 6.6375 6.6375 7.6527 7.6581 8.1058 8.1066 8.1262 8.1323 10.2821 10.2848 10.2977 10.2980 10.3127 10.3154 14.6329 14.6332 14.7490 14.7492 14.7563 14.7564 16.9829 16.9835 k = 0.5022 0.4888 0.4877 ( 2800 PWs) bands (ev): -45.9875 -45.9875 -22.7401 -22.7400 -22.0914 -22.0914 -22.0891 -22.0890 -14.1312 -14.1312 -5.6297 -5.6284 -5.6052 -5.6034 -5.5961 -5.5960 -1.4895 -1.4860 0.1903 0.1904 0.1959 0.1997 5.9657 5.9657 6.6327 6.6328 6.6339 6.6340 7.6556 7.6587 8.1091 8.1092 8.1308 8.1347 10.2873 10.2889 10.3027 10.3028 10.3160 10.3176 14.6359 14.6360 14.7522 14.7523 14.7594 14.7594 16.9776 16.9781 k = 0.5023 0.4977 0.4966 ( 2800 PWs) bands (ev): -45.9875 -45.9875 -22.7401 -22.7401 -22.0914 -22.0914 -22.0891 -22.0891 -14.1311 -14.1311 -5.6286 -5.6282 -5.6038 -5.6033 -5.5956 -5.5956 -1.4895 -1.4885 0.1893 0.1893 0.1953 0.1963 5.9642 5.9642 6.6320 6.6320 6.6328 6.6328 7.6574 7.6582 8.1102 8.1102 8.1335 8.1346 10.2896 10.2901 10.3045 10.3045 10.3178 10.3182 14.6371 14.6371 14.7534 14.7534 14.7606 14.7606 16.9757 16.9757 Writing output data file BaTiO3.save init_run : 2.16s CPU 12.68s WALL ( 1 calls) electrons : 654.84s CPU 662.14s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.38s CPU 1.96s WALL ( 1 calls) Called by electrons: c_bands : 654.82s CPU 661.57s WALL ( 1 calls) v_of_rho : 0.17s CPU 1.02s WALL ( 1 calls) v_h : 0.03s CPU 0.03s WALL ( 1 calls) v_xc : 0.14s CPU 0.62s WALL ( 1 calls) newd : 0.31s CPU 0.64s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.18s WALL ( 328 calls) cegterg : 628.04s CPU 631.89s WALL ( 1147 calls) Called by sum_band: Called by *egterg: h_psi : 211.64s CPU 222.56s WALL ( 21486 calls) s_psi : 25.11s CPU 25.53s WALL ( 21486 calls) g_psi : 0.44s CPU 0.53s WALL ( 20011 calls) cdiaghg : 296.86s CPU 291.30s WALL ( 20339 calls) cegterg:over : 48.96s CPU 46.13s WALL ( 20011 calls) cegterg:upda : 6.00s CPU 9.96s WALL ( 20011 calls) cegterg:last : 6.03s CPU 7.02s WALL ( 2517 calls) Called by h_psi: h_psi:vloc : 162.89s CPU 172.38s WALL ( 21486 calls) h_psi:vnl : 48.56s CPU 49.62s WALL ( 21486 calls) add_vuspsi : 15.21s CPU 18.77s WALL ( 21486 calls) General routines calbec : 33.29s CPU 30.75s WALL ( 21486 calls) fft : 0.41s CPU 1.19s WALL ( 19 calls) ffts : 0.01s CPU 0.56s WALL ( 4 calls) fftw : 152.43s CPU 157.57s WALL ( 1394592 calls) interpolate : 0.03s CPU 0.58s WALL ( 4 calls) davcio : 0.07s CPU 1.22s WALL ( 656 calls) Parallel routines fft_scatter : 109.53s CPU 113.17s WALL ( 1394615 calls) PWSCF : 11m38.61s CPU 12m53.81s WALL This run was terminated on: 18:20:17 9Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=