Program PWSCF v.5.1.1 starts on 11Oct2015 at 15: 7:37 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaTiO3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3D 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 54 19 6 2104 450 76 Max 55 20 7 2109 466 80 Sum 2617 949 293 101073 21975 3731 bravais-lattice index = 14 lattice parameter (alat) = 7.5668 a.u. unit-cell volume = 433.2499 (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)= 7.566841 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.002862 celldm(5)= 0.002862 celldm(6)= 0.002862 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.002862 0.999996 0.000000 ) a(3) = ( 0.002862 0.002854 0.999992 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.002862 -0.002854 ) b(2) = ( 0.000000 1.000004 -0.002854 ) b(3) = ( 0.000000 0.000000 1.000008 ) PseudoPot. # 1 for Ba read from file: /home/autes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ti read from file: /home/autes/Pseudo/Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ed6a930860ac2325f16e0d84c006faf2 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1177 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Ti 12.00 47.86700 Ti( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 328 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0125000 -0.0000358 -0.0000357), wk = 0.0030488 k( 3) = ( 0.0250000 -0.0000716 -0.0000714), wk = 0.0030488 k( 4) = ( 0.0375000 -0.0001073 -0.0001070), wk = 0.0030488 k( 5) = ( 0.0500000 -0.0001431 -0.0001427), wk = 0.0030488 k( 6) = ( 0.0625000 -0.0001789 -0.0001784), wk = 0.0030488 k( 7) = ( 0.0750000 -0.0002147 -0.0002141), wk = 0.0030488 k( 8) = ( 0.0875000 -0.0002505 -0.0002497), wk = 0.0030488 k( 9) = ( 0.1000000 -0.0002862 -0.0002854), wk = 0.0030488 k( 10) = ( 0.1125000 -0.0003220 -0.0003211), wk = 0.0030488 k( 11) = ( 0.1250000 -0.0003578 -0.0003568), wk = 0.0030488 k( 12) = ( 0.1375000 -0.0003936 -0.0003925), wk = 0.0030488 k( 13) = ( 0.1500000 -0.0004294 -0.0004281), wk = 0.0030488 k( 14) = ( 0.1625000 -0.0004651 -0.0004638), wk = 0.0030488 k( 15) = ( 0.1750000 -0.0005009 -0.0004995), wk = 0.0030488 k( 16) = ( 0.1875000 -0.0005367 -0.0005352), wk = 0.0030488 k( 17) = ( 0.2000000 -0.0005725 -0.0005708), wk = 0.0030488 k( 18) = ( 0.2125000 -0.0006082 -0.0006065), wk = 0.0030488 k( 19) = ( 0.2250000 -0.0006440 -0.0006422), wk = 0.0030488 k( 20) = ( 0.2375000 -0.0006798 -0.0006779), wk = 0.0030488 k( 21) = ( 0.2500000 -0.0007156 -0.0007135), wk = 0.0030488 k( 22) = ( 0.2625000 -0.0007514 -0.0007492), wk = 0.0030488 k( 23) = ( 0.2750000 -0.0007871 -0.0007849), wk = 0.0030488 k( 24) = ( 0.2875000 -0.0008229 -0.0008206), wk = 0.0030488 k( 25) = ( 0.3000000 -0.0008587 -0.0008563), wk = 0.0030488 k( 26) = ( 0.3125000 -0.0008945 -0.0008919), wk = 0.0030488 k( 27) = ( 0.3250000 -0.0009303 -0.0009276), wk = 0.0030488 k( 28) = ( 0.3375000 -0.0009660 -0.0009633), wk = 0.0030488 k( 29) = ( 0.3500000 -0.0010018 -0.0009990), wk = 0.0030488 k( 30) = ( 0.3625000 -0.0010376 -0.0010346), wk = 0.0030488 k( 31) = ( 0.3750000 -0.0010734 -0.0010703), wk = 0.0030488 k( 32) = ( 0.3875000 -0.0011092 -0.0011060), wk = 0.0030488 k( 33) = ( 0.4000000 -0.0011449 -0.0011417), wk = 0.0030488 k( 34) = ( 0.4125000 -0.0011807 -0.0011774), wk = 0.0030488 k( 35) = ( 0.4250000 -0.0012165 -0.0012130), wk = 0.0030488 k( 36) = ( 0.4375000 -0.0012523 -0.0012487), wk = 0.0030488 k( 37) = ( 0.4500000 -0.0012881 -0.0012844), wk = 0.0030488 k( 38) = ( 0.4625000 -0.0013238 -0.0013201), wk = 0.0030488 k( 39) = ( 0.4750000 -0.0013596 -0.0013557), wk = 0.0030488 k( 40) = ( 0.4875000 -0.0013954 -0.0013914), wk = 0.0030488 k( 41) = ( 0.5000000 -0.0014312 -0.0014271), wk = 0.0030488 k( 42) = ( 0.5000000 -0.0014312 -0.0014271), wk = 0.0030488 k( 43) = ( 0.5000000 0.0074466 -0.0103303), wk = 0.0030488 k( 44) = ( 0.5000000 0.0163244 -0.0192334), wk = 0.0030488 k( 45) = ( 0.5000000 0.0252022 -0.0281366), wk = 0.0030488 k( 46) = ( 0.5000000 0.0340800 -0.0370397), wk = 0.0030488 k( 47) = ( 0.5000000 0.0429578 -0.0459429), wk = 0.0030488 k( 48) = ( 0.5000000 0.0518355 -0.0548461), wk = 0.0030488 k( 49) = ( 0.5000000 0.0607133 -0.0637492), wk = 0.0030488 k( 50) = ( 0.5000000 0.0695911 -0.0726524), wk = 0.0030488 k( 51) = ( 0.5000000 0.0784689 -0.0815555), wk = 0.0030488 k( 52) = ( 0.5000000 0.0873467 -0.0904587), wk = 0.0030488 k( 53) = ( 0.5000000 0.0962245 -0.0993619), wk = 0.0030488 k( 54) = ( 0.5000000 0.1051023 -0.1082650), wk = 0.0030488 k( 55) = ( 0.5000000 0.1139800 -0.1171682), wk = 0.0030488 k( 56) = ( 0.5000000 0.1228578 -0.1260713), wk = 0.0030488 k( 57) = ( 0.5000000 0.1317356 -0.1349745), wk = 0.0030488 k( 58) = ( 0.5000000 0.1406134 -0.1438777), wk = 0.0030488 k( 59) = ( 0.5000000 0.1494912 -0.1527808), wk = 0.0030488 k( 60) = ( 0.5000000 0.1583690 -0.1616840), wk = 0.0030488 k( 61) = ( 0.5000000 0.1672468 -0.1705871), wk = 0.0030488 k( 62) = ( 0.5000000 0.1761245 -0.1794903), wk = 0.0030488 k( 63) = ( 0.5000000 0.1850023 -0.1883935), wk = 0.0030488 k( 64) = ( 0.5000000 0.1938801 -0.1972966), wk = 0.0030488 k( 65) = ( 0.5000000 0.2027579 -0.2061998), wk = 0.0030488 k( 66) = ( 0.5000000 0.2116357 -0.2151029), wk = 0.0030488 k( 67) = ( 0.5000000 0.2205135 -0.2240061), wk = 0.0030488 k( 68) = ( 0.5000000 0.2293913 -0.2329093), wk = 0.0030488 k( 69) = ( 0.5000000 0.2382690 -0.2418124), wk = 0.0030488 k( 70) = ( 0.5000000 0.2471468 -0.2507156), wk = 0.0030488 k( 71) = ( 0.5000000 0.2560246 -0.2596188), wk = 0.0030488 k( 72) = ( 0.5000000 0.2649024 -0.2685219), wk = 0.0030488 k( 73) = ( 0.5000000 0.2737802 -0.2774251), wk = 0.0030488 k( 74) = ( 0.5000000 0.2826580 -0.2863282), wk = 0.0030488 k( 75) = ( 0.5000000 0.2915357 -0.2952314), wk = 0.0030488 k( 76) = ( 0.5000000 0.3004135 -0.3041345), wk = 0.0030488 k( 77) = ( 0.5000000 0.3092913 -0.3130377), wk = 0.0030488 k( 78) = ( 0.5000000 0.3181691 -0.3219409), wk = 0.0030488 k( 79) = ( 0.5000000 0.3270469 -0.3308440), wk = 0.0030488 k( 80) = ( 0.5000000 0.3359247 -0.3397472), wk = 0.0030488 k( 81) = ( 0.5000000 0.3448025 -0.3486504), wk = 0.0030488 k( 82) = ( 0.5000000 0.3536803 -0.3575535), wk = 0.0030488 k( 83) = ( 0.5000000 0.3625580 -0.3664567), wk = 0.0030488 k( 84) = ( 0.5000000 0.3714358 -0.3753598), wk = 0.0030488 k( 85) = ( 0.5000000 0.3803136 -0.3842630), wk = 0.0030488 k( 86) = ( 0.5000000 0.3891914 -0.3931662), wk = 0.0030488 k( 87) = ( 0.5000000 0.3980692 -0.4020693), wk = 0.0030488 k( 88) = ( 0.5000000 0.4069470 -0.4109725), wk = 0.0030488 k( 89) = ( 0.5000000 0.4158247 -0.4198756), wk = 0.0030488 k( 90) = ( 0.5000000 0.4247025 -0.4287788), wk = 0.0030488 k( 91) = ( 0.5000000 0.4335803 -0.4376820), wk = 0.0030488 k( 92) = ( 0.5000000 0.4424581 -0.4465851), wk = 0.0030488 k( 93) = ( 0.5000000 0.4513359 -0.4554883), wk = 0.0030488 k( 94) = ( 0.5000000 0.4602137 -0.4643914), wk = 0.0030488 k( 95) = ( 0.5000000 0.4690915 -0.4732946), wk = 0.0030488 k( 96) = ( 0.5000000 0.4779692 -0.4821978), wk = 0.0030488 k( 97) = ( 0.5000000 0.4868470 -0.4911009), wk = 0.0030488 k( 98) = ( 0.5000000 0.4957248 -0.5000041), wk = 0.0030488 k( 99) = ( 0.5028460 0.4985627 0.4942957), wk = 0.0030488 k( 100) = ( 0.5000000 0.4985709 0.4971499), wk = 0.0030488 k( 101) = ( 0.5000000 0.4985709 0.4971499), wk = 0.0030488 k( 102) = ( 0.4926471 0.4912390 0.4898389), wk = 0.0030488 k( 103) = ( 0.4852941 0.4839070 0.4825278), wk = 0.0030488 k( 104) = ( 0.4779412 0.4765751 0.4752168), wk = 0.0030488 k( 105) = ( 0.4705882 0.4692432 0.4679058), wk = 0.0030488 k( 106) = ( 0.4632353 0.4619112 0.4605948), wk = 0.0030488 k( 107) = ( 0.4558823 0.4545793 0.4532837), wk = 0.0030488 k( 108) = ( 0.4485294 0.4472474 0.4459727), wk = 0.0030488 k( 109) = ( 0.4411765 0.4399155 0.4386617), wk = 0.0030488 k( 110) = ( 0.4338235 0.4325836 0.4313506), wk = 0.0030488 k( 111) = ( 0.4264706 0.4252516 0.4240396), wk = 0.0030488 k( 112) = ( 0.4191177 0.4179197 0.4167286), wk = 0.0030488 k( 113) = ( 0.4117647 0.4105878 0.4094176), wk = 0.0030488 k( 114) = ( 0.4044118 0.4032558 0.4021065), wk = 0.0030488 k( 115) = ( 0.3970588 0.3959239 0.3947955), wk = 0.0030488 k( 116) = ( 0.3897059 0.3885920 0.3874845), wk = 0.0030488 k( 117) = ( 0.3823529 0.3812601 0.3801734), wk = 0.0030488 k( 118) = ( 0.3750000 0.3739282 0.3728624), wk = 0.0030488 k( 119) = ( 0.3676471 0.3665962 0.3655514), wk = 0.0030488 k( 120) = ( 0.3602941 0.3592643 0.3582404), wk = 0.0030488 k( 121) = ( 0.3529412 0.3519324 0.3509293), wk = 0.0030488 k( 122) = ( 0.3455882 0.3446005 0.3436183), wk = 0.0030488 k( 123) = ( 0.3382353 0.3372685 0.3363073), wk = 0.0030488 k( 124) = ( 0.3308823 0.3299366 0.3289963), wk = 0.0030488 k( 125) = ( 0.3235294 0.3226047 0.3216852), wk = 0.0030488 k( 126) = ( 0.3161765 0.3152728 0.3143742), wk = 0.0030488 k( 127) = ( 0.3088235 0.3079408 0.3070632), wk = 0.0030488 k( 128) = ( 0.3014706 0.3006089 0.2997521), wk = 0.0030488 k( 129) = ( 0.2941177 0.2932770 0.2924411), wk = 0.0030488 k( 130) = ( 0.2867647 0.2859451 0.2851301), wk = 0.0030488 k( 131) = ( 0.2794118 0.2786131 0.2778191), wk = 0.0030488 k( 132) = ( 0.2720588 0.2712812 0.2705080), wk = 0.0030488 k( 133) = ( 0.2647059 0.2639493 0.2631970), wk = 0.0030488 k( 134) = ( 0.2573529 0.2566174 0.2558860), wk = 0.0030488 k( 135) = ( 0.2500000 0.2492854 0.2485749), wk = 0.0030488 k( 136) = ( 0.2426471 0.2419535 0.2412639), wk = 0.0030488 k( 137) = ( 0.2352941 0.2346216 0.2339529), wk = 0.0030488 k( 138) = ( 0.2279412 0.2272897 0.2266419), wk = 0.0030488 k( 139) = ( 0.2205882 0.2199577 0.2193308), wk = 0.0030488 k( 140) = ( 0.2132353 0.2126258 0.2120198), wk = 0.0030488 k( 141) = ( 0.2058823 0.2052939 0.2047088), wk = 0.0030488 k( 142) = ( 0.1985294 0.1979620 0.1973978), wk = 0.0030488 k( 143) = ( 0.1911765 0.1906300 0.1900867), wk = 0.0030488 k( 144) = ( 0.1838235 0.1832981 0.1827757), wk = 0.0030488 k( 145) = ( 0.1764706 0.1759662 0.1754647), wk = 0.0030488 k( 146) = ( 0.1691177 0.1686343 0.1681536), wk = 0.0030488 k( 147) = ( 0.1617647 0.1613023 0.1608426), wk = 0.0030488 k( 148) = ( 0.1544118 0.1539704 0.1535316), wk = 0.0030488 k( 149) = ( 0.1470588 0.1466385 0.1462206), wk = 0.0030488 k( 150) = ( 0.1397059 0.1393066 0.1389095), wk = 0.0030488 k( 151) = ( 0.1323529 0.1319746 0.1315985), wk = 0.0030488 k( 152) = ( 0.1250000 0.1246427 0.1242875), wk = 0.0030488 k( 153) = ( 0.1176471 0.1173108 0.1169764), wk = 0.0030488 k( 154) = ( 0.1102941 0.1099789 0.1096654), wk = 0.0030488 k( 155) = ( 0.1029412 0.1026469 0.1023544), wk = 0.0030488 k( 156) = ( 0.0955882 0.0953150 0.0950434), wk = 0.0030488 k( 157) = ( 0.0882353 0.0879831 0.0877323), wk = 0.0030488 k( 158) = ( 0.0808824 0.0806512 0.0804213), wk = 0.0030488 k( 159) = ( 0.0735294 0.0733192 0.0731103), wk = 0.0030488 k( 160) = ( 0.0661765 0.0659873 0.0657993), wk = 0.0030488 k( 161) = ( 0.0588235 0.0586554 0.0584882), wk = 0.0030488 k( 162) = ( 0.0514706 0.0513235 0.0511772), wk = 0.0030488 k( 163) = ( 0.0441177 0.0439916 0.0438662), wk = 0.0030488 k( 164) = ( 0.0367647 0.0366596 0.0365551), wk = 0.0030488 k( 165) = ( 0.0294118 0.0293277 0.0292441), wk = 0.0030488 k( 166) = ( 0.0220588 0.0219958 0.0219331), wk = 0.0030488 k( 167) = ( 0.0147059 0.0146638 0.0146221), wk = 0.0030488 k( 168) = ( 0.0073529 0.0073319 0.0073110), 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) = ( 0.0089032 -0.0000255 -0.0089286), wk = 0.0030488 k( 172) = ( 0.0178063 -0.0000510 -0.0178573), wk = 0.0030488 k( 173) = ( 0.0267095 -0.0000765 -0.0267859), wk = 0.0030488 k( 174) = ( 0.0356126 -0.0001019 -0.0357146), wk = 0.0030488 k( 175) = ( 0.0445158 -0.0001274 -0.0446432), wk = 0.0030488 k( 176) = ( 0.0534190 -0.0001529 -0.0535719), wk = 0.0030488 k( 177) = ( 0.0623221 -0.0001784 -0.0625005), wk = 0.0030488 k( 178) = ( 0.0712253 -0.0002039 -0.0714292), wk = 0.0030488 k( 179) = ( 0.0801284 -0.0002294 -0.0803578), wk = 0.0030488 k( 180) = ( 0.0890316 -0.0002548 -0.0892864), wk = 0.0030488 k( 181) = ( 0.0979348 -0.0002803 -0.0982151), wk = 0.0030488 k( 182) = ( 0.1068379 -0.0003058 -0.1071437), wk = 0.0030488 k( 183) = ( 0.1157411 -0.0003313 -0.1160724), wk = 0.0030488 k( 184) = ( 0.1246442 -0.0003568 -0.1250010), wk = 0.0030488 k( 185) = ( 0.1335474 -0.0003823 -0.1339297), wk = 0.0030488 k( 186) = ( 0.1424506 -0.0004077 -0.1428583), wk = 0.0030488 k( 187) = ( 0.1513537 -0.0004332 -0.1517870), wk = 0.0030488 k( 188) = ( 0.1602569 -0.0004587 -0.1607156), wk = 0.0030488 k( 189) = ( 0.1691601 -0.0004842 -0.1696442), wk = 0.0030488 k( 190) = ( 0.1780632 -0.0005097 -0.1785729), wk = 0.0030488 k( 191) = ( 0.1869664 -0.0005352 -0.1875015), wk = 0.0030488 k( 192) = ( 0.1958695 -0.0005606 -0.1964302), wk = 0.0030488 k( 193) = ( 0.2047727 -0.0005861 -0.2053588), wk = 0.0030488 k( 194) = ( 0.2136759 -0.0006116 -0.2142875), wk = 0.0030488 k( 195) = ( 0.2225790 -0.0006371 -0.2232161), wk = 0.0030488 k( 196) = ( 0.2314822 -0.0006626 -0.2321448), wk = 0.0030488 k( 197) = ( 0.2403853 -0.0006881 -0.2410734), wk = 0.0030488 k( 198) = ( 0.2492885 -0.0007136 -0.2500020), wk = 0.0030488 k( 199) = ( 0.2581916 -0.0007390 -0.2589307), wk = 0.0030488 k( 200) = ( 0.2670948 -0.0007645 -0.2678593), wk = 0.0030488 k( 201) = ( 0.2759980 -0.0007900 -0.2767880), wk = 0.0030488 k( 202) = ( 0.2849011 -0.0008155 -0.2857166), wk = 0.0030488 k( 203) = ( 0.2938043 -0.0008410 -0.2946453), wk = 0.0030488 k( 204) = ( 0.3027074 -0.0008665 -0.3035739), wk = 0.0030488 k( 205) = ( 0.3116106 -0.0008919 -0.3125026), wk = 0.0030488 k( 206) = ( 0.3205138 -0.0009174 -0.3214312), wk = 0.0030488 k( 207) = ( 0.3294169 -0.0009429 -0.3303598), wk = 0.0030488 k( 208) = ( 0.3383201 -0.0009684 -0.3392885), wk = 0.0030488 k( 209) = ( 0.3472232 -0.0009939 -0.3482171), wk = 0.0030488 k( 210) = ( 0.3561264 -0.0010194 -0.3571458), wk = 0.0030488 k( 211) = ( 0.3650296 -0.0010448 -0.3660744), wk = 0.0030488 k( 212) = ( 0.3739327 -0.0010703 -0.3750031), wk = 0.0030488 k( 213) = ( 0.3828359 -0.0010958 -0.3839317), wk = 0.0030488 k( 214) = ( 0.3917390 -0.0011213 -0.3928603), wk = 0.0030488 k( 215) = ( 0.4006422 -0.0011468 -0.4017890), wk = 0.0030488 k( 216) = ( 0.4095454 -0.0011723 -0.4107176), wk = 0.0030488 k( 217) = ( 0.4184485 -0.0011977 -0.4196463), wk = 0.0030488 k( 218) = ( 0.4273517 -0.0012232 -0.4285749), wk = 0.0030488 k( 219) = ( 0.4362549 -0.0012487 -0.4375036), wk = 0.0030488 k( 220) = ( 0.4451580 -0.0012742 -0.4464322), wk = 0.0030488 k( 221) = ( 0.4540612 -0.0012997 -0.4553609), wk = 0.0030488 k( 222) = ( 0.4629643 -0.0013252 -0.4642895), wk = 0.0030488 k( 223) = ( 0.4718675 -0.0013506 -0.4732182), wk = 0.0030488 k( 224) = ( 0.4807707 -0.0013761 -0.4821468), wk = 0.0030488 k( 225) = ( 0.4896738 -0.0014016 -0.4910754), wk = 0.0030488 k( 226) = ( 0.4985770 -0.0014271 -0.5000041), wk = 0.0030488 k( 227) = ( 0.5014230 0.4971438 -0.0028542), wk = 0.0030488 k( 228) = ( 0.5000000 0.4985709 -0.0028542), wk = 0.0030488 k( 229) = ( 0.5000000 0.4985709 -0.0028542), wk = 0.0030488 k( 230) = ( 0.5000356 0.4986064 0.0095746), wk = 0.0030488 k( 231) = ( 0.5000712 0.4986418 0.0220033), wk = 0.0030488 k( 232) = ( 0.5001067 0.4986773 0.0344321), wk = 0.0030488 k( 233) = ( 0.5001423 0.4987128 0.0468608), wk = 0.0030488 k( 234) = ( 0.5001779 0.4987482 0.0592895), wk = 0.0030488 k( 235) = ( 0.5002134 0.4987837 0.0717183), wk = 0.0030488 k( 236) = ( 0.5002490 0.4988192 0.0841470), wk = 0.0030488 k( 237) = ( 0.5002846 0.4988547 0.0965758), wk = 0.0030488 k( 238) = ( 0.5003202 0.4988901 0.1090045), wk = 0.0030488 k( 239) = ( 0.5003558 0.4989256 0.1214333), wk = 0.0030488 k( 240) = ( 0.5003913 0.4989611 0.1338620), wk = 0.0030488 k( 241) = ( 0.5004269 0.4989966 0.1462908), wk = 0.0030488 k( 242) = ( 0.5004625 0.4990320 0.1587195), wk = 0.0030488 k( 243) = ( 0.5004981 0.4990675 0.1711483), wk = 0.0030488 k( 244) = ( 0.5005336 0.4991030 0.1835770), wk = 0.0030488 k( 245) = ( 0.5005692 0.4991385 0.1960058), wk = 0.0030488 k( 246) = ( 0.5006048 0.4991739 0.2084345), wk = 0.0030488 k( 247) = ( 0.5006404 0.4992094 0.2208633), wk = 0.0030488 k( 248) = ( 0.5006759 0.4992449 0.2332920), wk = 0.0030488 k( 249) = ( 0.5007115 0.4992804 0.2457208), wk = 0.0030488 k( 250) = ( 0.5007471 0.4993158 0.2581495), wk = 0.0030488 k( 251) = ( 0.5007827 0.4993513 0.2705783), wk = 0.0030488 k( 252) = ( 0.5008182 0.4993868 0.2830070), wk = 0.0030488 k( 253) = ( 0.5008538 0.4994222 0.2954357), wk = 0.0030488 k( 254) = ( 0.5008894 0.4994577 0.3078645), wk = 0.0030488 k( 255) = ( 0.5009250 0.4994932 0.3202932), wk = 0.0030488 k( 256) = ( 0.5009605 0.4995287 0.3327220), wk = 0.0030488 k( 257) = ( 0.5009961 0.4995641 0.3451507), wk = 0.0030488 k( 258) = ( 0.5010317 0.4995996 0.3575795), wk = 0.0030488 k( 259) = ( 0.5010673 0.4996351 0.3700082), wk = 0.0030488 k( 260) = ( 0.5011028 0.4996706 0.3824370), wk = 0.0030488 k( 261) = ( 0.5011384 0.4997060 0.3948657), wk = 0.0030488 k( 262) = ( 0.5011740 0.4997415 0.4072945), wk = 0.0030488 k( 263) = ( 0.5012096 0.4997770 0.4197232), wk = 0.0030488 k( 264) = ( 0.5012451 0.4998125 0.4321520), wk = 0.0030488 k( 265) = ( 0.5012807 0.4998479 0.4445807), wk = 0.0030488 k( 266) = ( 0.5013163 0.4998834 0.4570095), wk = 0.0030488 k( 267) = ( 0.5013519 0.4999189 0.4694382), wk = 0.0030488 k( 268) = ( 0.5013874 0.4999544 0.4818670), wk = 0.0030488 k( 269) = ( 0.5014230 0.4999898 0.4942957), wk = 0.0030488 k( 270) = ( 0.5014230 0.4999898 0.4942957), wk = 0.0030488 k( 271) = ( 0.5000000 0.4985709 0.4971499), wk = 0.0030488 k( 272) = ( 0.5000000 -0.0014312 -0.0014271), wk = 0.0030488 k( 273) = ( 0.5000508 0.0074719 0.0074506), wk = 0.0030488 k( 274) = ( 0.5001016 0.0163749 0.0163283), wk = 0.0030488 k( 275) = ( 0.5001525 0.0252780 0.0252059), wk = 0.0030488 k( 276) = ( 0.5002033 0.0341810 0.0340836), wk = 0.0030488 k( 277) = ( 0.5002541 0.0430841 0.0429613), wk = 0.0030488 k( 278) = ( 0.5003049 0.0519871 0.0518390), wk = 0.0030488 k( 279) = ( 0.5003558 0.0608902 0.0607166), wk = 0.0030488 k( 280) = ( 0.5004066 0.0697932 0.0695943), wk = 0.0030488 k( 281) = ( 0.5004574 0.0786963 0.0784720), wk = 0.0030488 k( 282) = ( 0.5005082 0.0875993 0.0873497), wk = 0.0030488 k( 283) = ( 0.5005590 0.0965024 0.0962273), wk = 0.0030488 k( 284) = ( 0.5006099 0.1054054 0.1051050), wk = 0.0030488 k( 285) = ( 0.5006607 0.1143085 0.1139827), wk = 0.0030488 k( 286) = ( 0.5007115 0.1232115 0.1228604), wk = 0.0030488 k( 287) = ( 0.5007623 0.1321146 0.1317381), wk = 0.0030488 k( 288) = ( 0.5008132 0.1410177 0.1406157), wk = 0.0030488 k( 289) = ( 0.5008640 0.1499207 0.1494934), wk = 0.0030488 k( 290) = ( 0.5009148 0.1588238 0.1583711), wk = 0.0030488 k( 291) = ( 0.5009656 0.1677268 0.1672488), wk = 0.0030488 k( 292) = ( 0.5010164 0.1766299 0.1761264), wk = 0.0030488 k( 293) = ( 0.5010673 0.1855329 0.1850041), wk = 0.0030488 k( 294) = ( 0.5011181 0.1944360 0.1938818), wk = 0.0030488 k( 295) = ( 0.5011689 0.2033390 0.2027595), wk = 0.0030488 k( 296) = ( 0.5012197 0.2122421 0.2116371), wk = 0.0030488 k( 297) = ( 0.5012706 0.2211451 0.2205148), wk = 0.0030488 k( 298) = ( 0.5013214 0.2300482 0.2293925), wk = 0.0030488 k( 299) = ( 0.5013722 0.2389512 0.2382702), wk = 0.0030488 k( 300) = ( 0.5014230 0.2478543 0.2471479), wk = 0.0030488 k( 301) = ( 0.5014738 0.2567573 0.2560255), wk = 0.0030488 k( 302) = ( 0.5015247 0.2656604 0.2649032), wk = 0.0030488 k( 303) = ( 0.5015755 0.2745634 0.2737809), wk = 0.0030488 k( 304) = ( 0.5016263 0.2834665 0.2826586), wk = 0.0030488 k( 305) = ( 0.5016771 0.2923695 0.2915362), wk = 0.0030488 k( 306) = ( 0.5017280 0.3012726 0.3004139), wk = 0.0030488 k( 307) = ( 0.5017788 0.3101756 0.3092916), wk = 0.0030488 k( 308) = ( 0.5018296 0.3190787 0.3181693), wk = 0.0030488 k( 309) = ( 0.5018804 0.3279817 0.3270469), wk = 0.0030488 k( 310) = ( 0.5019312 0.3368848 0.3359246), wk = 0.0030488 k( 311) = ( 0.5019821 0.3457878 0.3448023), wk = 0.0030488 k( 312) = ( 0.5020329 0.3546909 0.3536800), wk = 0.0030488 k( 313) = ( 0.5020837 0.3635939 0.3625576), wk = 0.0030488 k( 314) = ( 0.5021345 0.3724970 0.3714353), wk = 0.0030488 k( 315) = ( 0.5021853 0.3814000 0.3803130), wk = 0.0030488 k( 316) = ( 0.5022362 0.3903031 0.3891907), wk = 0.0030488 k( 317) = ( 0.5022870 0.3992061 0.3980684), wk = 0.0030488 k( 318) = ( 0.5023378 0.4081092 0.4069460), wk = 0.0030488 k( 319) = ( 0.5023886 0.4170122 0.4158237), wk = 0.0030488 k( 320) = ( 0.5024395 0.4259153 0.4247014), wk = 0.0030488 k( 321) = ( 0.5024903 0.4348183 0.4335791), wk = 0.0030488 k( 322) = ( 0.5025411 0.4437214 0.4424567), wk = 0.0030488 k( 323) = ( 0.5025919 0.4526244 0.4513344), wk = 0.0030488 k( 324) = ( 0.5026428 0.4615275 0.4602121), wk = 0.0030488 k( 325) = ( 0.5026936 0.4704305 0.4690898), wk = 0.0030488 k( 326) = ( 0.5027444 0.4793336 0.4779674), wk = 0.0030488 k( 327) = ( 0.5027952 0.4882367 0.4868451), wk = 0.0030488 k( 328) = ( 0.5028460 0.4971397 0.4957228), 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 0.0088778 -0.0088778), wk = 0.0030488 k( 44) = ( 0.5000000 0.0177555 -0.0177555), wk = 0.0030488 k( 45) = ( 0.5000000 0.0266332 -0.0266333), wk = 0.0030488 k( 46) = ( 0.5000000 0.0355110 -0.0355110), wk = 0.0030488 k( 47) = ( 0.5000000 0.0443888 -0.0443887), wk = 0.0030488 k( 48) = ( 0.5000000 0.0532665 -0.0532665), wk = 0.0030488 k( 49) = ( 0.5000000 0.0621442 -0.0621442), wk = 0.0030488 k( 50) = ( 0.5000000 0.0710220 -0.0710220), wk = 0.0030488 k( 51) = ( 0.5000000 0.0798997 -0.0798997), wk = 0.0030488 k( 52) = ( 0.5000000 0.0887775 -0.0887775), wk = 0.0030488 k( 53) = ( 0.5000000 0.0976552 -0.0976552), wk = 0.0030488 k( 54) = ( 0.5000000 0.1065330 -0.1065330), wk = 0.0030488 k( 55) = ( 0.5000000 0.1154107 -0.1154107), wk = 0.0030488 k( 56) = ( 0.5000000 0.1242885 -0.1242885), wk = 0.0030488 k( 57) = ( 0.5000000 0.1331662 -0.1331662), wk = 0.0030488 k( 58) = ( 0.5000000 0.1420440 -0.1420440), wk = 0.0030488 k( 59) = ( 0.5000000 0.1509217 -0.1509217), wk = 0.0030488 k( 60) = ( 0.5000000 0.1597995 -0.1597995), wk = 0.0030488 k( 61) = ( 0.5000000 0.1686772 -0.1686772), wk = 0.0030488 k( 62) = ( 0.5000000 0.1775550 -0.1775550), wk = 0.0030488 k( 63) = ( 0.5000000 0.1864327 -0.1864327), wk = 0.0030488 k( 64) = ( 0.5000000 0.1953105 -0.1953105), wk = 0.0030488 k( 65) = ( 0.5000000 0.2041882 -0.2041882), wk = 0.0030488 k( 66) = ( 0.5000000 0.2130660 -0.2130660), wk = 0.0030488 k( 67) = ( 0.5000000 0.2219437 -0.2219437), wk = 0.0030488 k( 68) = ( 0.5000000 0.2308215 -0.2308215), wk = 0.0030488 k( 69) = ( 0.5000000 0.2396992 -0.2396992), wk = 0.0030488 k( 70) = ( 0.5000000 0.2485770 -0.2485770), wk = 0.0030488 k( 71) = ( 0.5000000 0.2574547 -0.2574547), wk = 0.0030488 k( 72) = ( 0.5000000 0.2663325 -0.2663325), wk = 0.0030488 k( 73) = ( 0.5000000 0.2752102 -0.2752102), wk = 0.0030488 k( 74) = ( 0.5000000 0.2840880 -0.2840880), wk = 0.0030488 k( 75) = ( 0.5000000 0.2929657 -0.2929657), wk = 0.0030488 k( 76) = ( 0.5000000 0.3018435 -0.3018435), wk = 0.0030488 k( 77) = ( 0.5000000 0.3107212 -0.3107212), wk = 0.0030488 k( 78) = ( 0.5000000 0.3195990 -0.3195990), wk = 0.0030488 k( 79) = ( 0.5000000 0.3284767 -0.3284767), wk = 0.0030488 k( 80) = ( 0.5000000 0.3373545 -0.3373545), wk = 0.0030488 k( 81) = ( 0.5000000 0.3462322 -0.3462322), wk = 0.0030488 k( 82) = ( 0.5000000 0.3551100 -0.3551100), wk = 0.0030488 k( 83) = ( 0.5000000 0.3639877 -0.3639877), wk = 0.0030488 k( 84) = ( 0.5000000 0.3728655 -0.3728655), wk = 0.0030488 k( 85) = ( 0.5000000 0.3817432 -0.3817432), wk = 0.0030488 k( 86) = ( 0.5000000 0.3906210 -0.3906210), wk = 0.0030488 k( 87) = ( 0.5000000 0.3994987 -0.3994987), wk = 0.0030488 k( 88) = ( 0.5000000 0.4083765 -0.4083765), wk = 0.0030488 k( 89) = ( 0.5000000 0.4172542 -0.4172542), wk = 0.0030488 k( 90) = ( 0.5000000 0.4261320 -0.4261320), wk = 0.0030488 k( 91) = ( 0.5000000 0.4350097 -0.4350097), wk = 0.0030488 k( 92) = ( 0.5000000 0.4438875 -0.4438875), wk = 0.0030488 k( 93) = ( 0.5000000 0.4527652 -0.4527652), wk = 0.0030488 k( 94) = ( 0.5000000 0.4616430 -0.4616430), wk = 0.0030488 k( 95) = ( 0.5000000 0.4705207 -0.4705207), wk = 0.0030488 k( 96) = ( 0.5000000 0.4793985 -0.4793985), wk = 0.0030488 k( 97) = ( 0.5000000 0.4882762 -0.4882762), wk = 0.0030488 k( 98) = ( 0.5000000 0.4971540 -0.4971540), wk = 0.0030488 k( 99) = ( 0.5028460 0.5000000 0.4971540), 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 0.4558824), 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 0.3308824), 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 0.2058824), 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) = ( 0.0089032 0.0000000 -0.0089032), wk = 0.0030488 k( 172) = ( 0.0178063 0.0000000 -0.0178063), wk = 0.0030488 k( 173) = ( 0.0267095 -0.0000000 -0.0267095), wk = 0.0030488 k( 174) = ( 0.0356126 0.0000000 -0.0356126), wk = 0.0030488 k( 175) = ( 0.0445158 0.0000000 -0.0445158), wk = 0.0030488 k( 176) = ( 0.0534190 -0.0000000 -0.0534190), wk = 0.0030488 k( 177) = ( 0.0623221 0.0000000 -0.0623221), wk = 0.0030488 k( 178) = ( 0.0712253 0.0000000 -0.0712253), wk = 0.0030488 k( 179) = ( 0.0801284 0.0000000 -0.0801284), wk = 0.0030488 k( 180) = ( 0.0890316 0.0000000 -0.0890316), wk = 0.0030488 k( 181) = ( 0.0979348 0.0000000 -0.0979348), wk = 0.0030488 k( 182) = ( 0.1068379 -0.0000000 -0.1068379), wk = 0.0030488 k( 183) = ( 0.1157411 0.0000000 -0.1157411), wk = 0.0030488 k( 184) = ( 0.1246442 0.0000000 -0.1246442), wk = 0.0030488 k( 185) = ( 0.1335474 0.0000000 -0.1335474), wk = 0.0030488 k( 186) = ( 0.1424506 0.0000000 -0.1424506), wk = 0.0030488 k( 187) = ( 0.1513537 0.0000000 -0.1513537), wk = 0.0030488 k( 188) = ( 0.1602569 0.0000000 -0.1602569), wk = 0.0030488 k( 189) = ( 0.1691601 0.0000000 -0.1691601), wk = 0.0030488 k( 190) = ( 0.1780632 -0.0000000 -0.1780632), wk = 0.0030488 k( 191) = ( 0.1869664 0.0000000 -0.1869664), wk = 0.0030488 k( 192) = ( 0.1958695 0.0000000 -0.1958695), wk = 0.0030488 k( 193) = ( 0.2047727 0.0000000 -0.2047727), wk = 0.0030488 k( 194) = ( 0.2136759 0.0000000 -0.2136759), wk = 0.0030488 k( 195) = ( 0.2225790 0.0000000 -0.2225790), wk = 0.0030488 k( 196) = ( 0.2314822 0.0000000 -0.2314822), wk = 0.0030488 k( 197) = ( 0.2403853 0.0000000 -0.2403853), wk = 0.0030488 k( 198) = ( 0.2492885 0.0000000 -0.2492885), wk = 0.0030488 k( 199) = ( 0.2581916 0.0000000 -0.2581917), wk = 0.0030488 k( 200) = ( 0.2670948 0.0000000 -0.2670948), wk = 0.0030488 k( 201) = ( 0.2759980 0.0000000 -0.2759980), wk = 0.0030488 k( 202) = ( 0.2849011 0.0000000 -0.2849011), wk = 0.0030488 k( 203) = ( 0.2938043 0.0000000 -0.2938043), wk = 0.0030488 k( 204) = ( 0.3027074 0.0000000 -0.3027074), wk = 0.0030488 k( 205) = ( 0.3116106 0.0000000 -0.3116106), wk = 0.0030488 k( 206) = ( 0.3205138 0.0000000 -0.3205138), wk = 0.0030488 k( 207) = ( 0.3294169 0.0000000 -0.3294169), wk = 0.0030488 k( 208) = ( 0.3383201 0.0000000 -0.3383201), wk = 0.0030488 k( 209) = ( 0.3472232 0.0000000 -0.3472232), wk = 0.0030488 k( 210) = ( 0.3561264 0.0000000 -0.3561264), wk = 0.0030488 k( 211) = ( 0.3650296 0.0000000 -0.3650296), wk = 0.0030488 k( 212) = ( 0.3739327 0.0000000 -0.3739327), wk = 0.0030488 k( 213) = ( 0.3828359 0.0000000 -0.3828359), wk = 0.0030488 k( 214) = ( 0.3917390 0.0000000 -0.3917391), wk = 0.0030488 k( 215) = ( 0.4006422 0.0000000 -0.4006422), wk = 0.0030488 k( 216) = ( 0.4095454 0.0000000 -0.4095454), wk = 0.0030488 k( 217) = ( 0.4184485 0.0000000 -0.4184485), wk = 0.0030488 k( 218) = ( 0.4273517 0.0000000 -0.4273517), wk = 0.0030488 k( 219) = ( 0.4362549 0.0000000 -0.4362549), wk = 0.0030488 k( 220) = ( 0.4451580 0.0000000 -0.4451580), wk = 0.0030488 k( 221) = ( 0.4540612 0.0000000 -0.4540612), wk = 0.0030488 k( 222) = ( 0.4629643 0.0000000 -0.4629643), wk = 0.0030488 k( 223) = ( 0.4718675 0.0000000 -0.4718675), wk = 0.0030488 k( 224) = ( 0.4807707 0.0000000 -0.4807707), wk = 0.0030488 k( 225) = ( 0.4896738 0.0000000 -0.4896738), wk = 0.0030488 k( 226) = ( 0.4985770 0.0000000 -0.4985770), wk = 0.0030488 k( 227) = ( 0.5014230 0.4985770 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) = ( 0.5000356 0.5000356 0.0124288), wk = 0.0030488 k( 231) = ( 0.5000712 0.5000712 0.0248577), wk = 0.0030488 k( 232) = ( 0.5001067 0.5001067 0.0372866), wk = 0.0030488 k( 233) = ( 0.5001423 0.5001423 0.0497154), wk = 0.0030488 k( 234) = ( 0.5001779 0.5001779 0.0621442), wk = 0.0030488 k( 235) = ( 0.5002134 0.5002134 0.0745731), wk = 0.0030488 k( 236) = ( 0.5002490 0.5002490 0.0870019), wk = 0.0030488 k( 237) = ( 0.5002846 0.5002846 0.0994308), wk = 0.0030488 k( 238) = ( 0.5003202 0.5003202 0.1118596), wk = 0.0030488 k( 239) = ( 0.5003558 0.5003558 0.1242885), wk = 0.0030488 k( 240) = ( 0.5003913 0.5003913 0.1367173), wk = 0.0030488 k( 241) = ( 0.5004269 0.5004269 0.1491462), wk = 0.0030488 k( 242) = ( 0.5004625 0.5004625 0.1615750), wk = 0.0030488 k( 243) = ( 0.5004981 0.5004981 0.1740039), wk = 0.0030488 k( 244) = ( 0.5005336 0.5005336 0.1864327), wk = 0.0030488 k( 245) = ( 0.5005692 0.5005692 0.1988616), wk = 0.0030488 k( 246) = ( 0.5006048 0.5006048 0.2112904), wk = 0.0030488 k( 247) = ( 0.5006404 0.5006404 0.2237193), wk = 0.0030488 k( 248) = ( 0.5006759 0.5006759 0.2361481), wk = 0.0030488 k( 249) = ( 0.5007115 0.5007115 0.2485770), wk = 0.0030488 k( 250) = ( 0.5007471 0.5007471 0.2610058), wk = 0.0030488 k( 251) = ( 0.5007827 0.5007827 0.2734347), wk = 0.0030488 k( 252) = ( 0.5008182 0.5008182 0.2858635), wk = 0.0030488 k( 253) = ( 0.5008538 0.5008538 0.2982924), wk = 0.0030488 k( 254) = ( 0.5008894 0.5008894 0.3107212), wk = 0.0030488 k( 255) = ( 0.5009250 0.5009250 0.3231501), wk = 0.0030488 k( 256) = ( 0.5009605 0.5009605 0.3355789), wk = 0.0030488 k( 257) = ( 0.5009961 0.5009961 0.3480078), wk = 0.0030488 k( 258) = ( 0.5010317 0.5010317 0.3604366), wk = 0.0030488 k( 259) = ( 0.5010673 0.5010673 0.3728655), wk = 0.0030488 k( 260) = ( 0.5011028 0.5011028 0.3852943), wk = 0.0030488 k( 261) = ( 0.5011384 0.5011384 0.3977232), wk = 0.0030488 k( 262) = ( 0.5011740 0.5011740 0.4101520), wk = 0.0030488 k( 263) = ( 0.5012096 0.5012096 0.4225809), wk = 0.0030488 k( 264) = ( 0.5012451 0.5012451 0.4350097), wk = 0.0030488 k( 265) = ( 0.5012807 0.5012807 0.4474386), wk = 0.0030488 k( 266) = ( 0.5013163 0.5013163 0.4598674), wk = 0.0030488 k( 267) = ( 0.5013519 0.5013519 0.4722963), wk = 0.0030488 k( 268) = ( 0.5013874 0.5013874 0.4847251), wk = 0.0030488 k( 269) = ( 0.5014230 0.5014230 0.4971540), wk = 0.0030488 k( 270) = ( 0.5014230 0.5014230 0.4971540), 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) = ( 0.5000508 0.0089032 0.0089032), wk = 0.0030488 k( 274) = ( 0.5001016 0.0178063 0.0178063), wk = 0.0030488 k( 275) = ( 0.5001525 0.0267095 0.0267095), wk = 0.0030488 k( 276) = ( 0.5002033 0.0356126 0.0356126), wk = 0.0030488 k( 277) = ( 0.5002541 0.0445158 0.0445158), wk = 0.0030488 k( 278) = ( 0.5003049 0.0534190 0.0534190), wk = 0.0030488 k( 279) = ( 0.5003558 0.0623221 0.0623221), wk = 0.0030488 k( 280) = ( 0.5004066 0.0712253 0.0712253), wk = 0.0030488 k( 281) = ( 0.5004574 0.0801284 0.0801284), wk = 0.0030488 k( 282) = ( 0.5005082 0.0890316 0.0890316), wk = 0.0030488 k( 283) = ( 0.5005590 0.0979348 0.0979348), wk = 0.0030488 k( 284) = ( 0.5006099 0.1068379 0.1068379), wk = 0.0030488 k( 285) = ( 0.5006607 0.1157411 0.1157411), wk = 0.0030488 k( 286) = ( 0.5007115 0.1246442 0.1246442), wk = 0.0030488 k( 287) = ( 0.5007623 0.1335474 0.1335474), wk = 0.0030488 k( 288) = ( 0.5008132 0.1424506 0.1424506), wk = 0.0030488 k( 289) = ( 0.5008640 0.1513537 0.1513537), wk = 0.0030488 k( 290) = ( 0.5009148 0.1602569 0.1602569), wk = 0.0030488 k( 291) = ( 0.5009656 0.1691601 0.1691601), wk = 0.0030488 k( 292) = ( 0.5010164 0.1780632 0.1780632), wk = 0.0030488 k( 293) = ( 0.5010673 0.1869664 0.1869664), wk = 0.0030488 k( 294) = ( 0.5011181 0.1958695 0.1958695), wk = 0.0030488 k( 295) = ( 0.5011689 0.2047727 0.2047727), wk = 0.0030488 k( 296) = ( 0.5012197 0.2136759 0.2136759), wk = 0.0030488 k( 297) = ( 0.5012706 0.2225790 0.2225790), wk = 0.0030488 k( 298) = ( 0.5013214 0.2314822 0.2314822), wk = 0.0030488 k( 299) = ( 0.5013722 0.2403853 0.2403853), wk = 0.0030488 k( 300) = ( 0.5014230 0.2492885 0.2492885), wk = 0.0030488 k( 301) = ( 0.5014738 0.2581916 0.2581917), wk = 0.0030488 k( 302) = ( 0.5015247 0.2670948 0.2670948), wk = 0.0030488 k( 303) = ( 0.5015755 0.2759980 0.2759980), wk = 0.0030488 k( 304) = ( 0.5016263 0.2849011 0.2849011), wk = 0.0030488 k( 305) = ( 0.5016771 0.2938043 0.2938043), wk = 0.0030488 k( 306) = ( 0.5017280 0.3027075 0.3027075), wk = 0.0030488 k( 307) = ( 0.5017788 0.3116106 0.3116106), wk = 0.0030488 k( 308) = ( 0.5018296 0.3205138 0.3205138), wk = 0.0030488 k( 309) = ( 0.5018804 0.3294169 0.3294169), wk = 0.0030488 k( 310) = ( 0.5019312 0.3383201 0.3383201), wk = 0.0030488 k( 311) = ( 0.5019821 0.3472232 0.3472232), wk = 0.0030488 k( 312) = ( 0.5020329 0.3561264 0.3561264), wk = 0.0030488 k( 313) = ( 0.5020837 0.3650296 0.3650296), wk = 0.0030488 k( 314) = ( 0.5021345 0.3739327 0.3739327), wk = 0.0030488 k( 315) = ( 0.5021853 0.3828359 0.3828359), wk = 0.0030488 k( 316) = ( 0.5022362 0.3917390 0.3917390), wk = 0.0030488 k( 317) = ( 0.5022870 0.4006422 0.4006422), wk = 0.0030488 k( 318) = ( 0.5023378 0.4095454 0.4095454), wk = 0.0030488 k( 319) = ( 0.5023886 0.4184485 0.4184485), wk = 0.0030488 k( 320) = ( 0.5024395 0.4273517 0.4273517), wk = 0.0030488 k( 321) = ( 0.5024903 0.4362549 0.4362549), wk = 0.0030488 k( 322) = ( 0.5025411 0.4451580 0.4451580), wk = 0.0030488 k( 323) = ( 0.5025919 0.4540612 0.4540612), wk = 0.0030488 k( 324) = ( 0.5026428 0.4629643 0.4629643), wk = 0.0030488 k( 325) = ( 0.5026936 0.4718675 0.4718675), wk = 0.0030488 k( 326) = ( 0.5027444 0.4807707 0.4807707), wk = 0.0030488 k( 327) = ( 0.5027952 0.4896738 0.4896738), wk = 0.0030488 k( 328) = ( 0.5028460 0.4985770 0.4985770), wk = 0.0030488 Dense grid: 101073 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 21975 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 130, 48) NL pseudopotentials 0.11 Mb ( 65, 111) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.02 Mb ( 2106) G-vector shells 0.01 Mb ( 1765) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.38 Mb ( 130, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.16 Mb ( 111, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaTiO3.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 44.4 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 47.7 secs Computing kpt #: 3 total cpu time spent up to now is 50.6 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 53.9 secs Computing kpt #: 5 total cpu time spent up to now is 55.9 secs Computing kpt #: 6 total cpu time spent up to now is 57.8 secs Computing kpt #: 7 total cpu time spent up to now is 59.7 secs Computing kpt #: 8 total cpu time spent up to now is 61.5 secs Computing kpt #: 9 total cpu time spent up to now is 63.7 secs Computing kpt #: 10 total cpu time spent up to now is 65.4 secs Computing kpt #: 11 total cpu time spent up to now is 67.2 secs Computing kpt #: 12 total cpu time spent up to now is 68.5 secs Computing kpt #: 13 total cpu time spent up to now is 69.9 secs Computing kpt #: 14 total cpu time spent up to now is 71.2 secs Computing kpt #: 15 total cpu time spent up to now is 72.5 secs Computing kpt #: 16 total cpu time spent up to now is 74.1 secs Computing kpt #: 17 total cpu time spent up to now is 75.3 secs Computing kpt #: 18 total cpu time spent up to now is 76.9 secs Computing kpt #: 19 total cpu time spent up to now is 78.3 secs Computing kpt #: 20 total cpu time spent up to now is 79.6 secs Computing kpt #: 21 total cpu time spent up to now is 80.9 secs Computing kpt #: 22 total cpu time spent up to now is 82.2 secs Computing kpt #: 23 total cpu time spent up to now is 83.6 secs Computing kpt #: 24 total cpu time spent up to now is 84.8 secs Computing kpt #: 25 total cpu time spent up to now is 86.0 secs Computing kpt #: 26 total cpu time spent up to now is 87.2 secs Computing kpt #: 27 total cpu time spent up to now is 88.4 secs Computing kpt #: 28 total cpu time spent up to now is 89.6 secs Computing kpt #: 29 total cpu time spent up to now is 90.8 secs Computing kpt #: 30 total cpu time spent up to now is 92.0 secs Computing kpt #: 31 total cpu time spent up to now is 93.2 secs Computing kpt #: 32 total cpu time spent up to now is 94.5 secs Computing kpt #: 33 total cpu time spent up to now is 95.8 secs Computing kpt #: 34 total cpu time spent up to now is 97.1 secs Computing kpt #: 35 total cpu time spent up to now is 98.3 secs Computing kpt #: 36 total cpu time spent up to now is 99.4 secs Computing kpt #: 37 total cpu time spent up to now is 100.8 secs Computing kpt #: 38 total cpu time spent up to now is 102.2 secs Computing kpt #: 39 total cpu time spent up to now is 103.4 secs Computing kpt #: 40 total cpu time spent up to now is 104.5 secs Computing kpt #: 41 total cpu time spent up to now is 105.8 secs Computing kpt #: 42 total cpu time spent up to now is 107.0 secs Computing kpt #: 43 total cpu time spent up to now is 108.2 secs Computing kpt #: 44 total cpu time spent up to now is 109.4 secs Computing kpt #: 45 total cpu time spent up to now is 110.7 secs Computing kpt #: 46 total cpu time spent up to now is 112.0 secs Computing kpt #: 47 total cpu time spent up to now is 113.2 secs Computing kpt #: 48 total cpu time spent up to now is 114.5 secs Computing kpt #: 49 total cpu time spent up to now is 115.7 secs Computing kpt #: 50 total cpu time spent up to now is 116.9 secs Computing kpt #: 51 total cpu time spent up to now is 118.1 secs Computing kpt #: 52 total cpu time spent up to now is 119.5 secs Computing kpt #: 53 total cpu time spent up to now is 120.7 secs Computing kpt #: 54 total cpu time spent up to now is 121.9 secs Computing kpt #: 55 total cpu time spent up to now is 123.1 secs Computing kpt #: 56 total cpu time spent up to now is 124.3 secs Computing kpt #: 57 total cpu time spent up to now is 125.6 secs Computing kpt #: 58 total cpu time spent up to now is 126.8 secs Computing kpt #: 59 total cpu time spent up to now is 128.2 secs Computing kpt #: 60 total cpu time spent up to now is 129.4 secs Computing kpt #: 61 total cpu time spent up to now is 130.6 secs Computing kpt #: 62 total cpu time spent up to now is 131.8 secs Computing kpt #: 63 total cpu time spent up to now is 133.1 secs Computing kpt #: 64 total cpu time spent up to now is 134.5 secs Computing kpt #: 65 total cpu time spent up to now is 135.7 secs Computing kpt #: 66 total cpu time spent up to now is 137.2 secs Computing kpt #: 67 total cpu time spent up to now is 138.5 secs Computing kpt #: 68 total cpu time spent up to now is 140.0 secs Computing kpt #: 69 total cpu time spent up to now is 141.3 secs Computing kpt #: 70 total cpu time spent up to now is 142.7 secs Computing kpt #: 71 total cpu time spent up to now is 144.3 secs Computing kpt #: 72 total cpu time spent up to now is 145.7 secs Computing kpt #: 73 total cpu time spent up to now is 147.3 secs Computing kpt #: 74 total cpu time spent up to now is 148.9 secs Computing kpt #: 75 total cpu time spent up to now is 150.6 secs Computing kpt #: 76 total cpu time spent up to now is 152.3 secs Computing kpt #: 77 total cpu time spent up to now is 154.3 secs Computing kpt #: 78 total cpu time spent up to now is 156.3 secs Computing kpt #: 79 total cpu time spent up to now is 158.2 secs Computing kpt #: 80 total cpu time spent up to now is 160.7 secs Computing kpt #: 81 total cpu time spent up to now is 163.0 secs Computing kpt #: 82 total cpu time spent up to now is 165.2 secs Computing kpt #: 83 total cpu time spent up to now is 167.8 secs Computing kpt #: 84 total cpu time spent up to now is 170.0 secs Computing kpt #: 85 total cpu time spent up to now is 172.1 secs Computing kpt #: 86 total cpu time spent up to now is 174.9 secs Computing kpt #: 87 total cpu time spent up to now is 177.3 secs Computing kpt #: 88 total cpu time spent up to now is 180.2 secs Computing kpt #: 89 total cpu time spent up to now is 183.1 secs Computing kpt #: 90 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 186.3 secs Computing kpt #: 91 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 189.4 secs Computing kpt #: 92 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 192.7 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 195.9 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 199.1 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 202.2 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 205.4 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 208.6 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 211.7 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 214.9 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 217.9 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 220.9 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 224.0 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 227.1 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 230.2 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 233.3 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 236.4 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 239.5 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 242.6 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 245.8 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 248.9 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 252.0 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 255.1 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 258.2 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 261.3 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 264.5 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 267.6 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 270.7 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 273.9 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 277.0 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 280.2 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 283.3 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 286.5 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 290.3 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 294.4 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 297.7 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 300.8 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 304.0 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 307.2 secs Computing kpt #: 129 total cpu time spent up to now is 309.2 secs Computing kpt #: 130 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 312.3 secs Computing kpt #: 131 total cpu time spent up to now is 314.3 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 317.5 secs Computing kpt #: 133 total cpu time spent up to now is 319.3 secs Computing kpt #: 134 total cpu time spent up to now is 320.9 secs Computing kpt #: 135 total cpu time spent up to now is 322.7 secs Computing kpt #: 136 total cpu time spent up to now is 324.4 secs Computing kpt #: 137 total cpu time spent up to now is 326.0 secs Computing kpt #: 138 total cpu time spent up to now is 327.7 secs Computing kpt #: 139 total cpu time spent up to now is 330.1 secs Computing kpt #: 140 total cpu time spent up to now is 331.6 secs Computing kpt #: 141 total cpu time spent up to now is 333.2 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 336.5 secs Computing kpt #: 143 total cpu time spent up to now is 338.0 secs Computing kpt #: 144 total cpu time spent up to now is 339.5 secs Computing kpt #: 145 total cpu time spent up to now is 341.0 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 344.2 secs Computing kpt #: 147 total cpu time spent up to now is 345.8 secs Computing kpt #: 148 total cpu time spent up to now is 347.5 secs Computing kpt #: 149 total cpu time spent up to now is 350.0 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 353.1 secs Computing kpt #: 151 total cpu time spent up to now is 355.7 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 358.9 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 362.1 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 365.3 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 368.5 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 371.7 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 374.9 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 378.1 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 381.3 secs Computing kpt #: 160 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 384.5 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 387.7 secs Computing kpt #: 162 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 390.9 secs Computing kpt #: 163 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 394.0 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 397.2 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 400.4 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 403.6 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 406.8 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 409.8 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 412.8 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 416.0 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 419.3 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 422.6 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 425.9 secs Computing kpt #: 174 total cpu time spent up to now is 428.6 secs Computing kpt #: 175 total cpu time spent up to now is 431.3 secs Computing kpt #: 176 total cpu time spent up to now is 433.2 secs Computing kpt #: 177 total cpu time spent up to now is 435.0 secs Computing kpt #: 178 total cpu time spent up to now is 437.2 secs Computing kpt #: 179 total cpu time spent up to now is 439.0 secs Computing kpt #: 180 total cpu time spent up to now is 440.6 secs Computing kpt #: 181 total cpu time spent up to now is 442.4 secs Computing kpt #: 182 total cpu time spent up to now is 444.0 secs Computing kpt #: 183 total cpu time spent up to now is 445.7 secs Computing kpt #: 184 total cpu time spent up to now is 447.4 secs Computing kpt #: 185 total cpu time spent up to now is 448.7 secs Computing kpt #: 186 total cpu time spent up to now is 450.5 secs Computing kpt #: 187 total cpu time spent up to now is 452.1 secs Computing kpt #: 188 total cpu time spent up to now is 453.3 secs Computing kpt #: 189 total cpu time spent up to now is 454.7 secs Computing kpt #: 190 total cpu time spent up to now is 456.0 secs Computing kpt #: 191 total cpu time spent up to now is 457.3 secs Computing kpt #: 192 total cpu time spent up to now is 458.5 secs Computing kpt #: 193 total cpu time spent up to now is 459.7 secs Computing kpt #: 194 total cpu time spent up to now is 461.3 secs Computing kpt #: 195 total cpu time spent up to now is 462.5 secs Computing kpt #: 196 total cpu time spent up to now is 464.0 secs Computing kpt #: 197 total cpu time spent up to now is 465.2 secs Computing kpt #: 198 total cpu time spent up to now is 466.5 secs Computing kpt #: 199 total cpu time spent up to now is 467.7 secs Computing kpt #: 200 total cpu time spent up to now is 469.0 secs Computing kpt #: 201 total cpu time spent up to now is 470.1 secs Computing kpt #: 202 total cpu time spent up to now is 471.3 secs Computing kpt #: 203 total cpu time spent up to now is 472.5 secs Computing kpt #: 204 total cpu time spent up to now is 473.7 secs Computing kpt #: 205 total cpu time spent up to now is 474.9 secs Computing kpt #: 206 total cpu time spent up to now is 476.1 secs Computing kpt #: 207 total cpu time spent up to now is 477.2 secs Computing kpt #: 208 total cpu time spent up to now is 478.4 secs Computing kpt #: 209 total cpu time spent up to now is 479.6 secs Computing kpt #: 210 total cpu time spent up to now is 480.8 secs Computing kpt #: 211 total cpu time spent up to now is 481.9 secs Computing kpt #: 212 total cpu time spent up to now is 483.1 secs Computing kpt #: 213 total cpu time spent up to now is 484.4 secs Computing kpt #: 214 total cpu time spent up to now is 485.6 secs Computing kpt #: 215 total cpu time spent up to now is 486.8 secs Computing kpt #: 216 total cpu time spent up to now is 487.9 secs Computing kpt #: 217 total cpu time spent up to now is 489.0 secs Computing kpt #: 218 total cpu time spent up to now is 490.0 secs Computing kpt #: 219 total cpu time spent up to now is 491.0 secs Computing kpt #: 220 total cpu time spent up to now is 492.0 secs Computing kpt #: 221 total cpu time spent up to now is 493.1 secs Computing kpt #: 222 total cpu time spent up to now is 494.1 secs Computing kpt #: 223 total cpu time spent up to now is 495.0 secs Computing kpt #: 224 total cpu time spent up to now is 496.1 secs Computing kpt #: 225 total cpu time spent up to now is 497.2 secs Computing kpt #: 226 total cpu time spent up to now is 498.2 secs Computing kpt #: 227 total cpu time spent up to now is 499.3 secs Computing kpt #: 228 total cpu time spent up to now is 500.4 secs Computing kpt #: 229 total cpu time spent up to now is 501.4 secs Computing kpt #: 230 total cpu time spent up to now is 502.4 secs Computing kpt #: 231 total cpu time spent up to now is 503.5 secs Computing kpt #: 232 total cpu time spent up to now is 504.5 secs Computing kpt #: 233 total cpu time spent up to now is 505.6 secs Computing kpt #: 234 total cpu time spent up to now is 506.8 secs Computing kpt #: 235 total cpu time spent up to now is 508.0 secs Computing kpt #: 236 total cpu time spent up to now is 509.2 secs Computing kpt #: 237 total cpu time spent up to now is 510.3 secs Computing kpt #: 238 total cpu time spent up to now is 511.6 secs Computing kpt #: 239 total cpu time spent up to now is 512.6 secs Computing kpt #: 240 total cpu time spent up to now is 513.9 secs Computing kpt #: 241 total cpu time spent up to now is 515.2 secs Computing kpt #: 242 total cpu time spent up to now is 516.6 secs Computing kpt #: 243 total cpu time spent up to now is 518.1 secs Computing kpt #: 244 total cpu time spent up to now is 519.3 secs Computing kpt #: 245 total cpu time spent up to now is 520.8 secs Computing kpt #: 246 total cpu time spent up to now is 522.2 secs Computing kpt #: 247 total cpu time spent up to now is 523.7 secs Computing kpt #: 248 total cpu time spent up to now is 525.4 secs Computing kpt #: 249 total cpu time spent up to now is 527.0 secs Computing kpt #: 250 total cpu time spent up to now is 528.7 secs Computing kpt #: 251 total cpu time spent up to now is 530.3 secs Computing kpt #: 252 total cpu time spent up to now is 532.1 secs Computing kpt #: 253 total cpu time spent up to now is 534.0 secs Computing kpt #: 254 total cpu time spent up to now is 535.8 secs Computing kpt #: 255 total cpu time spent up to now is 537.8 secs Computing kpt #: 256 total cpu time spent up to now is 539.8 secs Computing kpt #: 257 total cpu time spent up to now is 541.8 secs Computing kpt #: 258 total cpu time spent up to now is 543.7 secs Computing kpt #: 259 total cpu time spent up to now is 545.9 secs Computing kpt #: 260 total cpu time spent up to now is 548.3 secs Computing kpt #: 261 total cpu time spent up to now is 550.6 secs Computing kpt #: 262 total cpu time spent up to now is 553.5 secs Computing kpt #: 263 total cpu time spent up to now is 556.5 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 559.6 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 562.8 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 566.0 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 569.2 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 572.3 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 575.4 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 578.6 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 581.6 secs Computing kpt #: 272 total cpu time spent up to now is 582.7 secs Computing kpt #: 273 total cpu time spent up to now is 583.9 secs Computing kpt #: 274 total cpu time spent up to now is 585.1 secs Computing kpt #: 275 total cpu time spent up to now is 586.5 secs Computing kpt #: 276 total cpu time spent up to now is 587.9 secs Computing kpt #: 277 total cpu time spent up to now is 589.9 secs Computing kpt #: 278 total cpu time spent up to now is 591.8 secs Computing kpt #: 279 total cpu time spent up to now is 593.7 secs Computing kpt #: 280 total cpu time spent up to now is 595.0 secs Computing kpt #: 281 total cpu time spent up to now is 596.2 secs Computing kpt #: 282 total cpu time spent up to now is 597.4 secs Computing kpt #: 283 total cpu time spent up to now is 598.6 secs Computing kpt #: 284 total cpu time spent up to now is 599.8 secs Computing kpt #: 285 total cpu time spent up to now is 601.0 secs Computing kpt #: 286 total cpu time spent up to now is 602.2 secs Computing kpt #: 287 total cpu time spent up to now is 603.3 secs Computing kpt #: 288 total cpu time spent up to now is 604.6 secs Computing kpt #: 289 total cpu time spent up to now is 605.8 secs Computing kpt #: 290 total cpu time spent up to now is 607.1 secs Computing kpt #: 291 total cpu time spent up to now is 608.3 secs Computing kpt #: 292 total cpu time spent up to now is 609.7 secs Computing kpt #: 293 total cpu time spent up to now is 610.9 secs Computing kpt #: 294 total cpu time spent up to now is 612.1 secs Computing kpt #: 295 total cpu time spent up to now is 613.2 secs Computing kpt #: 296 total cpu time spent up to now is 614.7 secs Computing kpt #: 297 total cpu time spent up to now is 615.9 secs Computing kpt #: 298 total cpu time spent up to now is 617.1 secs Computing kpt #: 299 total cpu time spent up to now is 618.4 secs Computing kpt #: 300 total cpu time spent up to now is 619.7 secs Computing kpt #: 301 total cpu time spent up to now is 621.1 secs Computing kpt #: 302 total cpu time spent up to now is 622.5 secs Computing kpt #: 303 total cpu time spent up to now is 623.8 secs Computing kpt #: 304 total cpu time spent up to now is 625.0 secs Computing kpt #: 305 total cpu time spent up to now is 626.5 secs Computing kpt #: 306 total cpu time spent up to now is 627.9 secs Computing kpt #: 307 total cpu time spent up to now is 629.5 secs Computing kpt #: 308 total cpu time spent up to now is 631.2 secs Computing kpt #: 309 total cpu time spent up to now is 632.9 secs Computing kpt #: 310 total cpu time spent up to now is 635.2 secs Computing kpt #: 311 total cpu time spent up to now is 637.1 secs Computing kpt #: 312 total cpu time spent up to now is 639.6 secs Computing kpt #: 313 total cpu time spent up to now is 642.0 secs Computing kpt #: 314 total cpu time spent up to now is 644.5 secs Computing kpt #: 315 total cpu time spent up to now is 647.1 secs Computing kpt #: 316 total cpu time spent up to now is 650.1 secs Computing kpt #: 317 total cpu time spent up to now is 652.7 secs Computing kpt #: 318 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 655.9 secs Computing kpt #: 319 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 659.0 secs Computing kpt #: 320 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 662.2 secs Computing kpt #: 321 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 665.5 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 668.6 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 671.8 secs Computing kpt #: 324 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 675.0 secs Computing kpt #: 325 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 678.1 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 681.3 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 684.4 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 687.6 secs ethr = 2.50E-11, avg # of iterations = 60.1 total cpu time spent up to now is 687.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9682 -45.9682 -22.6788 -22.6788 -22.0249 -22.0249 -22.0222 -22.0222 -14.4005 -14.4005 -6.5006 -6.5006 -5.8385 -5.8385 -5.8360 -5.8360 -0.9389 -0.9389 0.9750 0.9750 0.9769 0.9769 7.9704 7.9704 8.1867 8.1867 8.1890 8.1890 9.0130 9.0130 9.0224 9.0224 9.2363 9.2363 9.8038 9.8038 9.9506 9.9506 10.0063 10.0063 12.6406 12.6406 12.6526 12.6526 12.7815 12.7815 14.7710 14.7721 k = 0.0125-0.0000-0.0000 ( 2777 PWs) bands (ev): -45.9682 -45.9682 -22.6788 -22.6788 -22.0249 -22.0249 -22.0223 -22.0222 -14.4004 -14.4004 -6.5008 -6.5005 -5.8386 -5.8383 -5.8360 -5.8360 -0.9386 -0.9385 0.9754 0.9754 0.9770 0.9776 7.9676 7.9712 8.1836 8.1850 8.1878 8.1899 9.0110 9.0111 9.0195 9.0214 9.2346 9.2360 9.7886 9.8137 9.9370 9.9607 10.0063 10.0067 12.6416 12.6422 12.6531 12.6553 12.7817 12.7834 14.7715 14.7716 k = 0.0250-0.0001-0.0001 ( 2771 PWs) bands (ev): -45.9681 -45.9681 -22.6789 -22.6788 -22.0249 -22.0249 -22.0224 -22.0222 -14.3998 -14.3998 -6.5010 -6.5005 -5.8387 -5.8380 -5.8358 -5.8358 -0.9376 -0.9374 0.9764 0.9765 0.9780 0.9792 7.9625 7.9699 8.1753 8.1802 8.1867 8.1888 9.0050 9.0053 9.0128 9.0164 9.2310 9.2338 9.7691 9.8169 9.9222 9.9656 10.0061 10.0084 12.6428 12.6458 12.6590 12.6616 12.7841 12.7874 14.7714 14.7718 k = 0.0375-0.0001-0.0001 ( 2768 PWs) bands (ev): -45.9681 -45.9681 -22.6790 -22.6789 -22.0251 -22.0251 -22.0225 -22.0223 -14.3989 -14.3989 -6.5013 -6.5005 -5.8387 -5.8377 -5.8356 -5.8356 -0.9359 -0.9356 0.9779 0.9782 0.9801 0.9820 7.9551 7.9663 8.1632 8.1719 8.1845 8.1865 8.9952 8.9955 9.0026 9.0077 9.2256 9.2295 9.7459 9.8117 9.9085 9.9653 10.0047 10.0109 12.6436 12.6498 12.6713 12.6730 12.7889 12.7935 14.7712 14.7718 k = 0.0500-0.0001-0.0001 ( 2766 PWs) bands (ev): -45.9681 -45.9681 -22.6792 -22.6790 -22.0253 -22.0253 -22.0226 -22.0224 -14.3977 -14.3977 -6.5018 -6.5007 -5.8386 -5.8372 -5.8352 -5.8351 -0.9335 -0.9332 0.9799 0.9802 0.9833 0.9857 7.9450 7.9601 8.1476 8.1602 8.1814 8.1832 8.9815 8.9819 8.9893 8.9954 9.2181 9.2230 9.7196 9.7974 9.8973 9.9610 10.0020 10.0124 12.6447 12.6536 12.6892 12.6901 12.7964 12.8019 14.7710 14.7718 k = 0.0625-0.0002-0.0002 ( 2765 PWs) bands (ev): -45.9681 -45.9681 -22.6795 -22.6791 -22.0257 -22.0256 -22.0228 -22.0225 -14.3961 -14.3961 -6.5024 -6.5010 -5.8382 -5.8366 -5.8346 -5.8345 -0.9305 -0.9301 0.9824 0.9827 0.9876 0.9905 7.9316 7.9505 8.1292 8.1456 8.1774 8.1791 8.9642 8.9648 8.9733 8.9800 9.2086 9.2144 9.6907 9.7747 9.8881 9.9539 9.9974 10.0116 12.6466 12.6574 12.7121 12.7125 12.8066 12.8128 14.7708 14.7718 k = 0.0750-0.0002-0.0002 ( 2767 PWs) bands (ev): -45.9681 -45.9681 -22.6797 -22.6794 -22.0262 -22.0260 -22.0229 -22.0226 -14.3942 -14.3942 -6.5033 -6.5017 -5.8377 -5.8360 -5.8339 -5.8336 -0.9268 -0.9263 0.9853 0.9857 0.9928 0.9963 7.9145 7.9369 8.1091 8.1289 8.1723 8.1740 8.9438 8.9445 8.9548 8.9616 9.1971 9.2034 9.6596 9.7459 9.8796 9.9448 9.9908 10.0077 12.6494 12.6615 12.7395 12.7398 12.8201 12.8266 14.7705 14.7717 k = 0.0875-0.0003-0.0002 ( 2760 PWs) bands (ev): -45.9681 -45.9681 -22.6800 -22.6796 -22.0268 -22.0265 -22.0229 -22.0227 -14.3920 -14.3919 -6.5045 -6.5026 -5.8369 -5.8352 -5.8329 -5.8323 -0.9226 -0.9220 0.9888 0.9891 0.9991 1.0030 7.8929 7.9181 8.0885 8.1109 8.1661 8.1678 8.9206 8.9213 8.9342 8.9407 9.1835 9.1903 9.6264 9.7125 9.8704 9.9340 9.9819 10.0004 12.6532 12.6660 12.7711 12.7716 12.8371 12.8437 14.7702 14.7716 k = 0.1000-0.0003-0.0003 ( 2756 PWs) bands (ev): -45.9680 -45.9680 -22.6804 -22.6799 -22.0275 -22.0271 -22.0229 -22.0227 -14.3894 -14.3893 -6.5062 -6.5040 -5.8359 -5.8343 -5.8317 -5.8305 -0.9178 -0.9171 0.9928 0.9931 1.0062 1.0106 7.8663 7.8931 8.0686 8.0926 8.1588 8.1606 8.8953 8.8957 8.9115 8.9175 9.1679 9.1749 9.5915 9.6756 9.8599 9.9218 9.9709 9.9896 12.6579 12.6707 12.8065 12.8075 12.8578 12.8646 14.7699 14.7715 k = 0.1125-0.0003-0.0003 ( 2756 PWs) bands (ev): -45.9680 -45.9680 -22.6808 -22.6802 -22.0283 -22.0279 -22.0229 -22.0227 -14.3866 -14.3865 -6.5083 -6.5059 -5.8346 -5.8334 -5.8299 -5.8281 -0.9124 -0.9116 0.9972 0.9975 1.0142 1.0190 7.8343 7.8614 8.0503 8.0745 8.1504 8.1523 8.8680 8.8682 8.8873 8.8924 9.1503 9.1575 9.5550 9.6358 9.8481 9.9083 9.9577 9.9756 12.6633 12.6758 12.8448 12.8470 12.8827 12.8900 14.7695 14.7714 k = 0.1250-0.0004-0.0004 ( 2754 PWs) bands (ev): -45.9680 -45.9680 -22.6812 -22.6806 -22.0293 -22.0288 -22.0229 -22.0228 -14.3834 -14.3834 -6.5110 -6.5085 -5.8333 -5.8324 -5.8274 -5.8250 -0.9065 -0.9056 1.0021 1.0024 1.0230 1.0283 7.7968 7.8230 8.0337 8.0569 8.1407 8.1427 8.8387 8.8397 8.8617 8.8657 9.1309 9.1381 9.5172 9.5936 9.8347 9.8936 9.9426 9.9587 12.6692 12.6811 12.8850 12.8897 12.9121 12.9208 14.7692 14.7712 k = 0.1375-0.0004-0.0004 ( 2753 PWs) bands (ev): -45.9680 -45.9680 -22.6816 -22.6810 -22.0303 -22.0297 -22.0229 -22.0227 -14.3800 -14.3800 -6.5145 -6.5117 -5.8320 -5.8314 -5.8239 -5.8210 -0.9002 -0.8992 1.0073 1.0076 1.0325 1.0383 7.7541 7.7785 8.0187 8.0400 8.1298 8.1319 8.8081 8.8101 8.8352 8.8380 9.1099 9.1169 9.4781 9.5493 9.8200 9.8778 9.9258 9.9392 12.6754 12.6865 12.9257 12.9337 12.9472 12.9583 14.7688 14.7710 k = 0.1500-0.0004-0.0004 ( 2757 PWs) bands (ev): -45.9679 -45.9679 -22.6821 -22.6815 -22.0314 -22.0308 -22.0229 -22.0227 -14.3764 -14.3763 -6.5186 -6.5157 -5.8307 -5.8303 -5.8195 -5.8162 -0.8935 -0.8924 1.0130 1.0133 1.0428 1.0490 7.7066 7.7289 8.0045 8.0237 8.1176 8.1198 8.7765 8.7799 8.8081 8.8095 9.0874 9.0941 9.4380 9.5032 9.8041 9.8610 9.9076 9.9178 12.6817 12.6920 12.9665 12.9757 12.9910 13.0023 14.7683 14.7708 k = 0.1625-0.0005-0.0005 ( 2751 PWs) bands (ev): -45.9679 -45.9679 -22.6826 -22.6819 -22.0325 -22.0319 -22.0228 -22.0227 -14.3726 -14.3725 -6.5235 -6.5204 -5.8294 -5.8291 -5.8141 -5.8105 -0.8864 -0.8852 1.0190 1.0193 1.0538 1.0603 7.6548 7.6750 7.9909 8.0078 8.1039 8.1063 8.7444 8.7494 8.7806 8.7807 9.0636 9.0701 9.3970 9.4556 9.7870 9.8431 9.8882 9.8948 12.6881 12.6975 13.0085 13.0173 13.0411 13.0513 14.7679 14.7705 k = 0.1750-0.0005-0.0005 ( 2753 PWs) bands (ev): -45.9679 -45.9679 -22.6832 -22.6825 -22.0338 -22.0331 -22.0228 -22.0226 -14.3685 -14.3684 -6.5293 -6.5261 -5.8282 -5.8279 -5.8076 -5.8038 -0.8790 -0.8777 1.0253 1.0256 1.0653 1.0722 7.5995 7.6175 7.9774 7.9920 8.0889 8.0914 8.7119 8.7187 8.7517 8.7531 9.0388 9.0448 9.3552 9.4068 9.7690 9.8243 9.8681 9.8709 12.6945 12.7031 13.0526 13.0613 13.0943 13.1036 14.7674 14.7702 k = 0.1875-0.0005-0.0005 ( 2755 PWs) bands (ev): -45.9678 -45.9678 -22.6838 -22.6830 -22.0351 -22.0343 -22.0227 -22.0226 -14.3643 -14.3642 -6.5359 -6.5326 -5.8269 -5.8267 -5.8001 -5.7960 -0.8713 -0.8699 1.0319 1.0322 1.0773 1.0845 7.5411 7.5573 7.9636 7.9762 8.0725 8.0751 8.6793 8.6883 8.7230 8.7258 9.0131 9.0188 9.3129 9.3573 9.7502 9.8045 9.8467 9.8474 12.7008 12.7087 13.0992 13.1080 13.1495 13.1583 14.7668 14.7698 k = 0.2000-0.0006-0.0006 ( 2755 PWs) bands (ev): -45.9678 -45.9678 -22.6844 -22.6836 -22.0364 -22.0356 -22.0226 -22.0225 -14.3599 -14.3598 -6.5433 -6.5399 -5.8255 -5.8254 -5.7915 -5.7873 -0.8634 -0.8619 1.0387 1.0391 1.0898 1.0973 7.4804 7.4948 7.9495 7.9601 8.0548 8.0574 8.6469 8.6582 8.6947 8.6989 8.9870 8.9921 9.2704 9.3073 9.7307 9.7835 9.8226 9.8265 12.7071 12.7142 13.1482 13.1572 13.2061 13.2145 14.7662 14.7694 k = 0.2125-0.0006-0.0006 ( 2750 PWs) bands (ev): -45.9677 -45.9677 -22.6849 -22.6842 -22.0377 -22.0369 -22.0225 -22.0225 -14.3554 -14.3553 -6.5515 -6.5481 -5.8242 -5.8240 -5.7819 -5.7776 -0.8554 -0.8538 1.0458 1.0461 1.1027 1.1105 7.4178 7.4306 7.9348 7.9437 8.0357 8.0385 8.6150 8.6287 8.6669 8.6725 8.9605 8.9651 9.2279 9.2573 9.7108 9.7613 9.7993 9.8055 12.7133 12.7198 13.1992 13.2084 13.2637 13.2719 14.7656 14.7689 k = 0.2250-0.0006-0.0006 ( 2745 PWs) bands (ev): -45.9677 -45.9677 -22.6855 -22.6847 -22.0391 -22.0382 -22.0224 -22.0224 -14.3508 -14.3507 -6.5604 -6.5570 -5.8228 -5.8227 -5.7714 -5.7670 -0.8472 -0.8455 1.0530 1.0534 1.1158 1.1238 7.3540 7.3654 7.9196 7.9268 8.0155 8.0183 8.5837 8.5999 8.6399 8.6467 8.9340 8.9379 9.1856 9.2077 9.6905 9.7380 9.7769 9.7845 12.7194 12.7254 13.2519 13.2612 13.3220 13.3301 14.7649 14.7684 k = 0.2375-0.0007-0.0007 ( 2751 PWs) bands (ev): -45.9677 -45.9677 -22.6862 -22.6854 -22.0405 -22.0396 -22.0224 -22.0223 -14.3462 -14.3461 -6.5700 -6.5666 -5.8214 -5.8213 -5.7600 -5.7556 -0.8390 -0.8372 1.0604 1.0607 1.1292 1.1374 7.2893 7.2995 7.9038 7.9096 7.9942 7.9970 8.5531 8.5719 8.6136 8.6216 8.9077 8.9108 9.1440 9.1589 9.6701 9.7140 9.7557 9.7638 12.7255 12.7309 13.3059 13.3153 13.3805 13.3885 14.7641 14.7678 k = 0.2500-0.0007-0.0007 ( 2747 PWs) bands (ev): -45.9676 -45.9676 -22.6868 -22.6860 -22.0418 -22.0410 -22.0223 -22.0222 -14.3415 -14.3414 -6.5801 -6.5768 -5.8200 -5.8200 -5.7478 -5.7434 -0.8307 -0.8288 1.0678 1.0681 1.1427 1.1511 7.2244 7.2335 7.8874 7.8919 7.9720 7.9748 8.5235 8.5449 8.5881 8.5970 8.8818 8.8840 9.1032 9.1113 9.6496 9.6896 9.7354 9.7435 12.7315 12.7364 13.3607 13.3702 13.4391 13.4470 14.7633 14.7672 k = 0.2625-0.0008-0.0007 ( 2745 PWs) bands (ev): -45.9676 -45.9676 -22.6874 -22.6866 -22.0432 -22.0423 -22.0222 -22.0221 -14.3368 -14.3367 -6.5907 -6.5874 -5.8187 -5.8186 -5.7349 -5.7306 -0.8225 -0.8205 1.0753 1.0756 1.1563 1.1648 7.1595 7.1677 7.8706 7.8738 7.9491 7.9519 8.4950 8.5189 8.5634 8.5731 8.8565 8.8578 9.0636 9.0654 9.6293 9.6652 9.7159 9.7237 12.7374 12.7419 13.4160 13.4254 13.4972 13.5051 14.7623 14.7664 k = 0.2750-0.0008-0.0008 ( 2745 PWs) bands (ev): -45.9675 -45.9675 -22.6880 -22.6872 -22.0445 -22.0437 -22.0221 -22.0221 -14.3321 -14.3320 -6.6017 -6.5985 -5.8173 -5.8172 -5.7216 -5.7173 -0.8143 -0.8123 1.0828 1.0831 1.1699 1.1784 7.0953 7.1027 7.8533 7.8554 7.9257 7.9284 8.4675 8.4939 8.5393 8.5496 8.8320 8.8322 9.0217 9.0255 9.6091 9.6411 9.6972 9.7044 12.7431 12.7473 13.4713 13.4806 13.5547 13.5626 14.7614 14.7656 k = 0.2875-0.0008-0.0008 ( 2749 PWs) bands (ev): -45.9675 -45.9675 -22.6887 -22.6879 -22.0459 -22.0451 -22.0221 -22.0220 -14.3274 -14.3273 -6.6129 -6.6098 -5.8159 -5.8159 -5.7078 -5.7036 -0.8063 -0.8043 1.0902 1.0905 1.1833 1.1918 7.0321 7.0387 7.8357 7.8369 7.9020 7.9046 8.4413 8.4700 8.5159 8.5264 8.8075 8.8084 8.9803 8.9891 9.5894 9.6176 9.6793 9.6858 12.7488 12.7526 13.5262 13.5353 13.6112 13.6190 14.7603 14.7646 k = 0.3000-0.0009-0.0009 ( 2751 PWs) bands (ev): -45.9675 -45.9675 -22.6893 -22.6885 -22.0472 -22.0464 -22.0220 -22.0220 -14.3229 -14.3228 -6.6242 -6.6213 -5.8146 -5.8146 -5.6937 -5.6897 -0.7985 -0.7964 1.0975 1.0978 1.1966 1.2050 6.9703 6.9763 7.8180 7.8183 7.8783 7.8808 8.4162 8.4471 8.4932 8.5036 8.7837 8.7860 8.9418 8.9546 9.5702 9.5949 9.6621 9.6679 12.7543 12.7579 13.5803 13.5893 13.6664 13.6742 14.7591 14.7636 k = 0.3125-0.0009-0.0009 ( 2753 PWs) bands (ev): -45.9674 -45.9674 -22.6899 -22.6891 -22.0485 -22.0477 -22.0219 -22.0219 -14.3184 -14.3183 -6.6356 -6.6327 -5.8133 -5.8133 -5.6796 -5.6757 -0.7908 -0.7888 1.1046 1.1049 1.2096 1.2179 6.9102 6.9157 7.7998 7.8002 7.8549 7.8571 8.3924 8.4252 8.4711 8.4809 8.7610 8.7646 8.9064 8.9223 9.5516 9.5731 9.6457 9.6509 12.7597 12.7630 13.6332 13.6420 13.7201 13.7278 14.7579 14.7624 k = 0.3250-0.0009-0.0009 ( 2754 PWs) bands (ev): -45.9674 -45.9674 -22.6904 -22.6897 -22.0497 -22.0489 -22.0218 -22.0218 -14.3141 -14.3140 -6.6468 -6.6441 -5.8121 -5.8120 -5.6655 -5.6617 -0.7835 -0.7814 1.1116 1.1119 1.2222 1.2303 6.8524 6.8573 7.7816 7.7826 7.8318 7.8338 8.3698 8.4044 8.4497 8.4585 8.7394 8.7445 8.8744 8.8924 9.5337 9.5523 9.6300 9.6346 12.7649 12.7679 13.6847 13.6931 13.7719 13.7796 14.7565 14.7612 k = 0.3375-0.0010-0.0010 ( 2754 PWs) bands (ev): -45.9674 -45.9674 -22.6910 -22.6903 -22.0509 -22.0501 -22.0218 -22.0217 -14.3099 -14.3098 -6.6578 -6.6553 -5.8109 -5.8108 -5.6516 -5.6480 -0.7764 -0.7744 1.1183 1.1186 1.2344 1.2423 6.7970 6.8014 7.7637 7.7652 7.8094 7.8112 8.3486 8.3846 8.4290 8.4363 8.7190 8.7255 8.8457 8.8649 9.5166 9.5327 9.6153 9.6193 12.7699 12.7726 13.7343 13.7424 13.8217 13.8292 14.7551 14.7598 k = 0.3500-0.0010-0.0010 ( 2758 PWs) bands (ev): -45.9673 -45.9673 -22.6915 -22.6909 -22.0520 -22.0513 -22.0217 -22.0217 -14.3059 -14.3059 -6.6684 -6.6661 -5.8097 -5.8097 -5.6380 -5.6347 -0.7697 -0.7678 1.1247 1.1250 1.2461 1.2537 6.7444 6.7484 7.7465 7.7483 7.7879 7.7894 8.3286 8.3657 8.4092 8.4147 8.7000 8.7078 8.8204 8.8400 9.5004 9.5142 9.6014 9.6049 12.7747 12.7772 13.7817 13.7894 13.8691 13.8764 14.7536 14.7583 k = 0.3625-0.0010-0.0010 ( 2756 PWs) bands (ev): -45.9673 -45.9673 -22.6920 -22.6914 -22.0530 -22.0524 -22.0216 -22.0216 -14.3022 -14.3021 -6.6786 -6.6764 -5.8086 -5.8086 -5.6249 -5.6218 -0.7634 -0.7615 1.1309 1.1311 1.2572 1.2644 6.6949 6.6985 7.7300 7.7321 7.7674 7.7686 8.3100 8.3476 8.3903 8.3937 8.6823 8.6913 8.7984 8.8176 9.4852 9.4970 9.5885 9.5915 12.7792 12.7814 13.8267 13.8339 13.9139 13.9210 14.7521 14.7567 k = 0.3750-0.0011-0.0011 ( 2764 PWs) bands (ev): -45.9673 -45.9673 -22.6925 -22.6919 -22.0540 -22.0534 -22.0216 -22.0216 -14.2987 -14.2986 -6.6883 -6.6863 -5.8076 -5.8076 -5.6124 -5.6095 -0.7575 -0.7557 1.1366 1.1368 1.2677 1.2744 6.6488 6.6521 7.7144 7.7166 7.7482 7.7491 8.2927 8.3304 8.3724 8.3737 8.6662 8.6761 8.7795 8.7977 9.4711 9.4810 9.5765 9.5792 12.7835 12.7855 13.8688 13.8756 13.9558 13.9627 14.7505 14.7550 k = 0.3875-0.0011-0.0011 ( 2765 PWs) bands (ev): -45.9672 -45.9672 -22.6929 -22.6924 -22.0549 -22.0544 -22.0215 -22.0215 -14.2954 -14.2953 -6.6973 -6.6955 -5.8067 -5.8067 -5.6007 -5.5981 -0.7520 -0.7504 1.1419 1.1421 1.2774 1.2837 6.6063 6.6092 7.6999 7.7020 7.7304 7.7310 8.2770 8.3138 8.3552 8.3558 8.6516 8.6620 8.7634 8.7802 9.4582 9.4665 9.5656 9.5679 12.7874 12.7892 13.9079 13.9141 13.9947 14.0013 14.7489 14.7533 k = 0.4000-0.0011-0.0011 ( 2761 PWs) bands (ev): -45.9672 -45.9672 -22.6933 -22.6928 -22.0557 -22.0552 -22.0215 -22.0215 -14.2924 -14.2923 -6.7056 -6.7040 -5.8058 -5.8058 -5.5898 -5.5875 -0.7470 -0.7455 1.1468 1.1470 1.2864 1.2921 6.5677 6.5703 7.6865 7.6886 7.7140 7.7144 8.2628 8.2980 8.3383 8.3405 8.6387 8.6492 8.7499 8.7650 9.4464 9.4533 9.5558 9.5577 12.7910 12.7926 13.9436 13.9493 14.0303 14.0365 14.7473 14.7515 k = 0.4125-0.0012-0.0012 ( 2758 PWs) bands (ev): -45.9672 -45.9672 -22.6936 -22.6932 -22.0564 -22.0559 -22.0214 -22.0214 -14.2897 -14.2897 -6.7130 -6.7116 -5.8051 -5.8050 -5.5800 -5.5779 -0.7426 -0.7412 1.1512 1.1514 1.2945 1.2996 6.5332 6.5354 7.6744 7.6763 7.6994 7.6994 8.2502 8.2829 8.3235 8.3267 8.6274 8.6377 8.7387 8.7519 9.4359 9.4416 9.5470 9.5487 12.7942 12.7956 13.9758 13.9809 14.0624 14.0681 14.7457 14.7497 k = 0.4250-0.0012-0.0012 ( 2756 PWs) bands (ev): -45.9672 -45.9672 -22.6939 -22.6935 -22.0570 -22.0566 -22.0214 -22.0214 -14.2874 -14.2873 -6.7197 -6.7184 -5.8044 -5.8044 -5.5712 -5.5693 -0.7386 -0.7374 1.1550 1.1552 1.3016 1.3061 6.5029 6.5048 7.6638 7.6654 7.6863 7.6864 8.2393 8.2686 8.3109 8.3145 8.6179 8.6274 8.7296 8.7409 9.4268 9.4314 9.5394 9.5408 12.7971 12.7983 14.0042 14.0087 14.0908 14.0959 14.7443 14.7478 k = 0.4375-0.0013-0.0012 ( 2760 PWs) bands (ev): -45.9672 -45.9672 -22.6941 -22.6938 -22.0576 -22.0572 -22.0214 -22.0213 -14.2853 -14.2853 -6.7253 -6.7243 -5.8038 -5.8038 -5.5635 -5.5620 -0.7352 -0.7342 1.1584 1.1585 1.3079 1.3117 6.4770 6.4786 7.6546 7.6560 7.6751 7.6754 8.2303 8.2555 8.3004 8.3040 8.6101 8.6185 8.7223 8.7317 9.4190 9.4226 9.5330 9.5341 12.7996 12.8006 14.0287 14.0324 14.1154 14.1197 14.7430 14.7461 k = 0.4500-0.0013-0.0013 ( 2758 PWs) bands (ev): -45.9671 -45.9671 -22.6943 -22.6941 -22.0580 -22.0577 -22.0213 -22.0213 -14.2837 -14.2836 -6.7300 -6.7292 -5.8033 -5.8033 -5.5572 -5.5559 -0.7324 -0.7315 1.1611 1.1612 1.3131 1.3162 6.4556 6.4569 7.6470 7.6481 7.6658 7.6662 8.2233 8.2439 8.2920 8.2952 8.6039 8.6110 8.7168 8.7243 9.4126 9.4154 9.5277 9.5285 12.8017 12.8024 14.0490 14.0520 14.1358 14.1394 14.7419 14.7445 k = 0.4625-0.0013-0.0013 ( 2756 PWs) bands (ev): -45.9671 -45.9671 -22.6945 -22.6943 -22.0583 -22.0581 -22.0213 -22.0213 -14.2823 -14.2823 -6.7337 -6.7331 -5.8029 -5.8029 -5.5521 -5.5512 -0.7302 -0.7295 1.1633 1.1634 1.3173 1.3196 6.4390 6.4399 7.6410 7.6418 7.6586 7.6589 8.2183 8.2340 8.2856 8.2882 8.5993 8.6049 8.7128 8.7184 9.4076 9.4097 9.5235 9.5242 12.8033 12.8039 14.0650 14.0673 14.1520 14.1548 14.7411 14.7431 k = 0.4750-0.0014-0.0014 ( 2752 PWs) bands (ev): -45.9671 -45.9671 -22.6946 -22.6944 -22.0585 -22.0583 -22.0213 -22.0213 -14.2814 -14.2814 -6.7363 -6.7359 -5.8027 -5.8027 -5.5484 -5.5478 -0.7285 -0.7281 1.1649 1.1649 1.3204 1.3220 6.4270 6.4277 7.6368 7.6373 7.6534 7.6537 8.2154 8.2260 8.2812 8.2830 8.5964 8.6002 8.7103 8.7140 9.4042 9.4055 9.5206 9.5210 12.8045 12.8049 14.0767 14.0782 14.1638 14.1657 14.7405 14.7419 k = 0.4875-0.0014-0.0014 ( 2756 PWs) bands (ev): -45.9671 -45.9671 -22.6946 -22.6946 -22.0586 -22.0585 -22.0213 -22.0213 -14.2808 -14.2808 -6.7378 -6.7376 -5.8025 -5.8025 -5.5461 -5.5458 -0.7275 -0.7273 1.1658 1.1658 1.3225 1.3233 6.4199 6.4202 7.6342 7.6345 7.6503 7.6505 8.2147 8.2201 8.2788 8.2797 8.5950 8.5970 8.7092 8.7110 9.4022 9.4029 9.5189 9.5191 12.8053 12.8055 14.0839 14.0846 14.1711 14.1721 14.7403 14.7411 k = 0.5000-0.0014-0.0014 ( 2750 PWs) bands (ev): -45.9671 -45.9671 -22.6946 -22.6946 -22.0586 -22.0586 -22.0213 -22.0213 -14.2806 -14.2806 -6.7383 -6.7383 -5.8025 -5.8025 -5.5452 -5.5452 -0.7271 -0.7271 1.1661 1.1661 1.3234 1.3234 6.4176 6.4176 7.6335 7.6335 7.6494 7.6494 8.2163 8.2163 8.2783 8.2783 8.5953 8.5953 8.7094 8.7094 9.4018 9.4018 9.5184 9.5184 12.8056 12.8056 14.0865 14.0865 14.1739 14.1739 14.7405 14.7405 k = 0.5000-0.0014-0.0014 ( 2750 PWs) bands (ev): -45.9671 -45.9671 -22.6946 -22.6946 -22.0586 -22.0586 -22.0213 -22.0213 -14.2806 -14.2806 -6.7383 -6.7383 -5.8025 -5.8025 -5.5452 -5.5452 -0.7271 -0.7271 1.1661 1.1661 1.3234 1.3234 6.4176 6.4176 7.6335 7.6335 7.6494 7.6494 8.2163 8.2163 8.2783 8.2783 8.5953 8.5953 8.7094 8.7094 9.4018 9.4018 9.5184 9.5184 12.8056 12.8056 14.0865 14.0865 14.1739 14.1739 14.7405 14.7405 k = 0.5000 0.0074-0.0103 ( 2752 PWs) bands (ev): -45.9671 -45.9671 -22.6947 -22.6946 -22.0587 -22.0586 -22.0214 -22.0212 -14.2805 -14.2805 -6.7376 -6.7374 -5.8025 -5.8021 -5.5457 -5.5455 -0.7288 -0.7257 1.1634 1.1687 1.3220 1.3235 6.4171 6.4177 7.6280 7.6351 7.6474 7.6542 8.1963 8.2221 8.2559 8.2862 8.5888 8.6184 8.6990 8.7323 9.3849 9.4008 9.5154 9.5322 12.8056 12.8079 14.0857 14.0870 14.1734 14.1746 14.7438 14.7448 k = 0.5000 0.0163-0.0192 ( 2752 PWs) bands (ev): -45.9671 -45.9671 -22.6948 -22.6946 -22.0587 -22.0586 -22.0215 -22.0213 -14.2802 -14.2802 -6.7355 -6.7350 -5.8023 -5.8016 -5.5470 -5.5464 -0.7308 -0.7246 1.1605 1.1712 1.3192 1.3224 6.4159 6.4171 7.6213 7.6308 7.6505 7.6595 8.1635 8.2086 8.2265 8.2819 8.5995 8.6516 8.7042 8.7646 9.3570 9.3815 9.5238 9.5499 12.8080 12.8125 14.0845 14.0870 14.1731 14.1753 14.7544 14.7565 k = 0.5000 0.0252-0.0281 ( 2750 PWs) bands (ev): -45.9671 -45.9671 -22.6949 -22.6946 -22.0588 -22.0586 -22.0218 -22.0214 -14.2796 -14.2796 -6.7318 -6.7311 -5.8018 -5.8007 -5.5490 -5.5481 -0.7332 -0.7239 1.1574 1.1734 1.3153 1.3200 6.4143 6.4160 7.6136 7.6239 7.6552 7.6646 8.1206 8.1638 8.2091 8.2687 8.6234 8.6842 8.7293 8.8035 9.3228 9.3508 9.5366 9.5671 12.8128 12.8194 14.0832 14.0867 14.1729 14.1761 14.7724 14.7754 k = 0.5000 0.0341-0.0370 ( 2750 PWs) bands (ev): -45.9671 -45.9671 -22.6951 -22.6947 -22.0589 -22.0586 -22.0221 -22.0217 -14.2788 -14.2788 -6.7266 -6.7257 -5.8010 -5.7996 -5.5516 -5.5505 -0.7360 -0.7236 1.1540 1.1753 1.3101 1.3164 6.4121 6.4144 7.6049 7.6158 7.6601 7.6694 8.0704 8.1078 8.1910 8.2499 8.6560 8.7133 8.7715 8.8467 9.2845 9.3138 9.5491 9.5816 12.8203 12.8289 14.0818 14.0862 14.1730 14.1769 14.7974 14.8014 k = 0.5000 0.0430-0.0459 ( 2748 PWs) bands (ev): -45.9671 -45.9671 -22.6953 -22.6949 -22.0591 -22.0587 -22.0225 -22.0219 -14.2777 -14.2777 -6.7199 -6.7188 -5.7999 -5.7982 -5.5550 -5.5536 -0.7391 -0.7238 1.1502 1.1768 1.3039 1.3117 6.4094 6.4123 7.5950 7.6065 7.6647 7.6738 8.0152 8.0471 8.1706 8.2280 8.6941 8.7446 8.8205 8.8921 9.2432 9.2730 9.5591 9.5925 12.8305 12.8410 14.0806 14.0855 14.1732 14.1778 14.8290 14.8339 k = 0.5000 0.0518-0.0548 ( 2748 PWs) bands (ev): -45.9671 -45.9671 -22.6956 -22.6951 -22.0592 -22.0588 -22.0230 -22.0223 -14.2765 -14.2765 -6.7117 -6.7104 -5.7986 -5.7965 -5.5590 -5.5573 -0.7427 -0.7244 1.1459 1.1774 1.2970 1.3061 6.4063 6.4097 7.5836 7.5960 7.6690 7.6777 7.9569 7.9844 8.1492 8.2046 8.7357 8.7797 8.8713 8.9384 9.1999 9.2298 9.5658 9.5996 12.8438 12.8560 14.0796 14.0850 14.1738 14.1787 14.8670 14.8726 k = 0.5000 0.0607-0.0637 ( 2746 PWs) bands (ev): -45.9670 -45.9670 -22.6958 -22.6953 -22.0594 -22.0589 -22.0236 -22.0228 -14.2750 -14.2750 -6.7021 -6.7005 -5.7970 -5.7946 -5.5635 -5.5616 -0.7469 -0.7255 1.1407 1.1770 1.2895 1.2996 6.4028 6.4067 7.5701 7.5837 7.6727 7.6810 7.8971 7.9216 8.1277 8.1810 8.7797 8.8182 8.9216 8.9841 9.1554 9.1857 9.5687 9.6025 12.8602 12.8741 14.0790 14.0847 14.1746 14.1798 14.9108 14.9171 k = 0.5000 0.0696-0.0727 ( 2750 PWs) bands (ev): -45.9670 -45.9670 -22.6962 -22.6956 -22.0596 -22.0590 -22.0243 -22.0233 -14.2733 -14.2733 -6.6910 -6.6892 -5.7952 -5.7924 -5.5686 -5.5665 -0.7515 -0.7273 1.1347 1.1751 1.2819 1.2925 6.3989 6.4033 7.5539 7.5692 7.6756 7.6835 7.8374 7.8604 8.1066 8.1579 8.8250 8.8589 8.9693 9.0261 9.1117 9.1437 9.5678 9.6014 12.8801 12.8953 14.0789 14.0847 14.1758 14.1812 14.9599 14.9668 k = 0.5000 0.0785-0.0816 ( 2750 PWs) bands (ev): -45.9670 -45.9670 -22.6966 -22.6959 -22.0599 -22.0592 -22.0250 -22.0239 -14.2714 -14.2714 -6.6784 -6.6764 -5.7931 -5.7900 -5.5742 -5.5718 -0.7568 -0.7298 1.1274 1.1711 1.2745 1.2850 6.3948 6.3996 7.5339 7.5511 7.6776 7.6851 7.7797 7.8024 8.0863 8.1358 8.8704 8.9005 9.0071 9.0482 9.0787 9.1197 9.5633 9.5963 12.9034 12.9197 14.0794 14.0853 14.1775 14.1829 15.0140 15.0215 k = 0.5000 0.0873-0.0905 ( 2754 PWs) bands (ev): -45.9670 -45.9670 -22.6970 -22.6962 -22.0601 -22.0594 -22.0258 -22.0246 -14.2693 -14.2693 -6.6645 -6.6623 -5.7908 -5.7873 -5.5802 -5.5776 -0.7628 -0.7330 1.1187 1.1646 1.2679 1.2771 6.3904 6.3956 7.5090 7.5279 7.6785 7.6853 7.7268 7.7496 8.0672 8.1150 8.9127 8.9366 9.0059 9.0261 9.0900 9.1419 9.5553 9.5876 12.9302 12.9476 14.0806 14.0864 14.1797 14.1851 15.0725 15.0805 k = 0.5000 0.0962-0.0994 ( 2744 PWs) bands (ev): -45.9669 -45.9669 -22.6974 -22.6965 -22.0603 -22.0595 -22.0266 -22.0253 -14.2671 -14.2670 -6.6492 -6.6468 -5.7882 -5.7844 -5.5866 -5.5837 -0.7695 -0.7370 1.1083 1.1552 1.2622 1.2690 6.3859 6.3914 7.4779 7.4974 7.6761 7.6793 7.6874 7.7037 8.0494 8.0957 8.9297 8.9357 9.0099 9.0144 9.1293 9.1810 9.5444 9.5757 12.9606 12.9788 14.0826 14.0882 14.1825 14.1879 15.1351 15.1435 k = 0.5000 0.1051-0.1083 ( 2744 PWs) bands (ev): -45.9669 -45.9669 -22.6979 -22.6970 -22.0606 -22.0598 -22.0275 -22.0261 -14.2646 -14.2646 -6.6326 -6.6300 -5.7854 -5.7813 -5.5932 -5.5901 -0.7770 -0.7419 1.0962 1.1428 1.2573 1.2611 6.3813 6.3871 7.4404 7.4588 7.6421 7.6636 7.6767 7.6832 8.0330 8.0779 8.8912 8.9056 9.0391 9.0552 9.1723 9.2222 9.5310 9.5611 12.9944 13.0133 14.0853 14.0908 14.1861 14.1913 15.2014 15.2101 k = 0.5000 0.1140-0.1172 ( 2742 PWs) bands (ev): -45.9669 -45.9669 -22.6984 -22.6974 -22.0609 -22.0600 -22.0285 -22.0270 -14.2619 -14.2619 -6.6146 -6.6118 -5.7823 -5.7780 -5.6001 -5.5968 -0.7854 -0.7477 1.0822 1.1278 1.2514 1.2546 6.3767 6.3827 7.3975 7.4133 7.6130 7.6319 7.6724 7.6786 8.0180 8.0617 8.8445 8.8602 9.0845 9.1021 9.2149 9.2628 9.5158 9.5445 13.0316 13.0511 14.0889 14.0941 14.1904 14.1955 15.2709 15.2798 k = 0.5000 0.1229-0.1261 ( 2742 PWs) bands (ev): -45.9668 -45.9668 -22.6989 -22.6979 -22.0612 -22.0602 -22.0295 -22.0279 -14.2591 -14.2591 -6.5954 -6.5925 -5.7790 -5.7745 -5.6071 -5.6036 -0.7947 -0.7545 1.0663 1.1102 1.2432 1.2503 6.3721 6.3782 7.3510 7.3637 7.5894 7.6050 7.6663 7.6722 8.0044 8.0470 8.7965 8.8116 9.1332 9.1506 9.2563 9.3022 9.4995 9.5264 13.0720 13.0918 14.0934 14.0984 14.1956 14.2005 15.3432 15.3524 k = 0.5000 0.1317-0.1350 ( 2744 PWs) bands (ev): -45.9668 -45.9668 -22.6995 -22.6984 -22.0615 -22.0605 -22.0306 -22.0289 -14.2561 -14.2561 -6.5750 -6.5719 -5.7755 -5.7707 -5.6142 -5.6104 -0.8048 -0.7623 1.0486 1.0906 1.2342 1.2462 6.3676 6.3737 7.3031 7.3128 7.5690 7.5815 7.6581 7.6637 7.9920 8.0337 8.7484 8.7622 9.1828 9.1999 9.2964 9.3400 9.4833 9.5079 13.1154 13.1354 14.0988 14.1035 14.2017 14.2064 15.4181 15.4274 k = 0.5000 0.1406-0.1439 ( 2744 PWs) bands (ev): -45.9667 -45.9667 -22.7001 -22.6989 -22.0618 -22.0608 -22.0317 -22.0300 -14.2530 -14.2530 -6.5534 -6.5501 -5.7719 -5.7668 -5.6212 -5.6173 -0.8160 -0.7712 1.0291 1.0691 1.2246 1.2415 6.3632 6.3692 7.2556 7.2625 7.5502 7.5601 7.6476 7.6530 7.9807 8.0217 8.7007 8.7130 9.2325 9.2494 9.3348 9.3752 9.4685 9.4898 13.1615 13.1816 14.1053 14.1097 14.2087 14.2133 15.4952 15.5046 k = 0.5000 0.1495-0.1528 ( 2750 PWs) bands (ev): -45.9667 -45.9667 -22.7008 -22.6995 -22.0622 -22.0611 -22.0330 -22.0311 -14.2498 -14.2497 -6.5307 -6.5272 -5.7680 -5.7627 -5.6282 -5.6241 -0.8281 -0.7813 1.0079 1.0460 1.2141 1.2358 6.3589 6.3648 7.2098 7.2143 7.5319 7.5397 7.6347 7.6400 7.9703 8.0109 8.6537 8.6642 9.2820 9.2987 9.3711 9.4043 9.4590 9.4744 13.2100 13.2301 14.1127 14.1169 14.2167 14.2211 15.5742 15.5837 k = 0.5000 0.1584-0.1617 ( 2750 PWs) bands (ev): -45.9667 -45.9667 -22.7014 -22.7001 -22.0626 -22.0614 -22.0342 -22.0323 -14.2464 -14.2463 -6.5069 -6.5033 -5.7639 -5.7584 -5.6350 -5.6308 -0.8413 -0.7924 0.9853 1.0216 1.2025 1.2288 6.3548 6.3604 7.1666 7.1690 7.5132 7.5199 7.6195 7.6248 7.9606 8.0010 8.6074 8.6161 9.3308 9.3476 9.4017 9.4183 9.4560 9.4748 13.2607 13.2807 14.1212 14.1251 14.2257 14.2300 15.6547 15.6642 k = 0.5000 0.1672-0.1706 ( 2750 PWs) bands (ev): -45.9666 -45.9666 -22.7021 -22.7007 -22.0629 -22.0617 -22.0355 -22.0335 -14.2429 -14.2428 -6.4821 -6.4783 -5.7597 -5.7540 -5.6417 -5.6373 -0.8554 -0.8046 0.9614 0.9961 1.1896 1.2202 6.3509 6.3561 7.1264 7.1278 7.4934 7.5002 7.6020 7.6075 7.9516 7.9919 8.5621 8.5688 9.3778 9.3953 9.4087 9.4267 9.4616 9.5001 13.3132 13.3331 14.1308 14.1344 14.2357 14.2399 15.7366 15.7460 k = 0.5000 0.1761-0.1795 ( 2748 PWs) bands (ev): -45.9666 -45.9666 -22.7027 -22.7013 -22.0633 -22.0621 -22.0368 -22.0347 -14.2392 -14.2392 -6.4563 -6.4524 -5.7554 -5.7495 -5.6480 -5.6435 -0.8705 -0.8179 0.9363 0.9695 1.1751 1.2097 6.3472 6.3518 7.0891 7.0919 7.4722 7.4800 7.5824 7.5882 7.9430 7.9835 8.5176 8.5225 9.4001 9.4179 9.4321 9.4430 9.4895 9.5314 13.3672 13.3869 14.1415 14.1449 14.2467 14.2508 15.8194 15.8288 k = 0.5000 0.1850-0.1884 ( 2750 PWs) bands (ev): -45.9665 -45.9665 -22.7034 -22.7020 -22.0637 -22.0624 -22.0381 -22.0360 -14.2355 -14.2355 -6.4296 -6.4256 -5.7508 -5.7448 -5.6540 -5.6494 -0.8866 -0.8324 0.9101 0.9420 1.1589 1.1971 6.3435 6.3476 7.0559 7.0608 7.4493 7.4587 7.5609 7.5673 7.9348 7.9758 8.4740 8.4772 9.3969 9.4152 9.4740 9.4875 9.5235 9.5640 13.4225 13.4418 14.1533 14.1565 14.2586 14.2627 15.9029 15.9122 k = 0.5000 0.1939-0.1973 ( 2746 PWs) bands (ev): -45.9664 -45.9664 -22.7041 -22.7027 -22.0640 -22.0627 -22.0394 -22.0373 -14.2318 -14.2317 -6.4021 -6.3980 -5.7462 -5.7400 -5.6595 -5.6549 -0.9037 -0.8479 0.8831 0.9137 1.1408 1.1823 6.3399 6.3433 7.0274 7.0345 7.4246 7.4360 7.5379 7.5451 7.9270 7.9686 8.4314 8.4332 9.3962 9.4127 9.5174 9.5286 9.5604 9.5971 13.4787 13.4976 14.1662 14.1692 14.2716 14.2755 15.9869 15.9961 k = 0.5000 0.2028-0.2062 ( 2746 PWs) bands (ev): -45.9664 -45.9664 -22.7049 -22.7034 -22.0644 -22.0631 -22.0408 -22.0386 -14.2279 -14.2279 -6.3739 -6.3696 -5.7415 -5.7352 -5.6646 -5.6599 -0.9216 -0.8644 0.8553 0.8849 1.1206 1.1652 6.3362 6.3389 7.0037 7.0133 7.3980 7.4115 7.5136 7.5218 7.9195 7.9619 8.3894 8.3911 9.3992 9.4140 9.5587 9.5653 9.6003 9.6309 13.5355 13.5540 14.1802 14.1831 14.2854 14.2894 16.0710 16.0800 k = 0.5000 0.2116-0.2151 ( 2756 PWs) bands (ev): -45.9663 -45.9663 -22.7056 -22.7041 -22.0648 -22.0635 -22.0423 -22.0400 -14.2240 -14.2240 -6.3449 -6.3406 -5.7367 -5.7303 -5.6692 -5.6645 -0.9405 -0.8820 0.8268 0.8555 1.0982 1.1457 6.3323 6.3345 6.9849 6.9972 7.3695 7.3849 7.4882 7.4978 7.9123 7.9556 8.3483 8.3511 9.4062 9.4194 9.5961 9.5997 9.6419 9.6655 13.5926 13.6107 14.1954 14.1981 14.3002 14.3041 16.1549 16.1638 k = 0.5000 0.2205-0.2240 ( 2748 PWs) bands (ev): -45.9663 -45.9663 -22.7064 -22.7048 -22.0652 -22.0638 -22.0437 -22.0414 -14.2201 -14.2200 -6.3153 -6.3109 -5.7318 -5.7253 -5.6732 -5.6685 -0.9601 -0.9005 0.7979 0.8257 1.0738 1.1237 6.3281 6.3298 6.9709 6.9862 7.3393 7.3566 7.4619 7.4731 7.9053 7.9497 8.3089 8.3129 9.4175 9.4292 9.6280 9.6348 9.6838 9.7011 13.6498 13.6675 14.2117 14.2142 14.3158 14.3196 16.2383 16.2471 k = 0.5000 0.2294-0.2329 ( 2746 PWs) bands (ev): -45.9662 -45.9662 -22.7071 -22.7055 -22.0656 -22.0642 -22.0451 -22.0427 -14.2161 -14.2161 -6.2852 -6.2808 -5.7270 -5.7204 -5.6766 -5.6720 -0.9805 -0.9199 0.7686 0.7955 1.0471 1.0993 6.3234 6.3251 6.9615 6.9800 7.3076 7.3268 7.4347 7.4479 7.8984 7.9441 8.2716 8.2769 9.4327 9.4431 9.6576 9.6681 9.7251 9.7373 13.7069 13.7241 14.2290 14.2313 14.3322 14.3360 16.3210 16.3296 k = 0.5000 0.2383-0.2418 ( 2744 PWs) bands (ev): -45.9662 -45.9662 -22.7079 -22.7063 -22.0660 -22.0646 -22.0465 -22.0441 -14.2121 -14.2121 -6.2547 -6.2501 -5.7221 -5.7155 -5.6793 -5.6748 -1.0016 -0.9402 0.7391 0.7652 1.0183 1.0724 6.3182 6.3200 6.9562 6.9782 7.2753 7.2964 7.4066 7.4221 7.8917 7.9387 8.2369 8.2434 9.4519 9.4610 9.6862 9.6993 9.7654 9.7739 13.7636 13.7802 14.2473 14.2494 14.3493 14.3531 16.4024 16.4110 k = 0.5000 0.2471-0.2507 ( 2740 PWs) bands (ev): -45.9661 -45.9661 -22.7086 -22.7070 -22.0663 -22.0650 -22.0479 -22.0455 -14.2081 -14.2081 -6.2237 -6.2191 -5.7173 -5.7107 -5.6812 -5.6769 -1.0233 -0.9612 0.7094 0.7348 0.9875 1.0433 6.3124 6.3146 6.9541 6.9799 7.2432 7.2663 7.3773 7.3956 7.8850 7.9334 8.2052 8.2128 9.4747 9.4826 9.7141 9.7288 9.8044 9.8102 13.8196 13.8357 14.2665 14.2685 14.3671 14.3709 16.4822 16.4908 k = 0.5000 0.2560-0.2596 ( 2736 PWs) bands (ev): -45.9661 -45.9661 -22.7093 -22.7078 -22.0667 -22.0653 -22.0493 -22.0469 -14.2041 -14.2041 -6.1925 -6.1879 -5.7126 -5.7060 -5.6823 -5.6783 -1.0456 -0.9829 0.6796 0.7044 0.9548 1.0119 6.3060 6.3086 6.9541 6.9837 7.2129 7.2380 7.3468 7.3685 7.8783 7.9280 8.1770 8.1854 9.5007 9.5077 9.7413 9.7571 9.8420 9.8459 13.8749 13.8904 14.2867 14.2885 14.3854 14.3892 16.5600 16.5686 k = 0.5000 0.2649-0.2685 ( 2742 PWs) bands (ev): -45.9660 -45.9660 -22.7101 -22.7085 -22.0671 -22.0658 -22.0507 -22.0484 -14.2002 -14.2001 -6.1611 -6.1565 -5.7082 -5.7016 -5.6825 -5.6788 -1.0684 -1.0053 0.6500 0.6741 0.9203 0.9786 6.2991 6.3019 6.9543 6.9870 7.1866 7.2134 7.3149 7.3411 7.8717 7.9226 8.1525 8.1615 9.5298 9.5358 9.7682 9.7843 9.8781 9.8806 13.9291 13.9440 14.3076 14.3093 14.4043 14.4081 16.6351 16.6439 k = 0.5000 0.2738-0.2774 ( 2746 PWs) bands (ev): -45.9660 -45.9660 -22.7109 -22.7093 -22.0675 -22.0662 -22.0521 -22.0498 -14.1962 -14.1962 -6.1296 -6.1250 -5.7042 -5.6975 -5.6818 -5.6784 -1.0915 -1.0282 0.6205 0.6439 0.8842 0.9433 6.2915 6.2946 6.9522 6.9862 7.1668 7.1954 7.2818 7.3143 7.8652 7.9171 8.1318 8.1411 9.5615 9.5666 9.7946 9.8109 9.9126 9.9142 13.9822 13.9965 14.3293 14.3309 14.4237 14.4273 16.7071 16.7161 k = 0.5000 0.2827-0.2863 ( 2748 PWs) bands (ev): -45.9659 -45.9659 -22.7116 -22.7101 -22.0679 -22.0666 -22.0535 -22.0512 -14.1923 -14.1923 -6.0980 -6.0935 -5.7005 -5.6938 -5.6802 -5.6768 -1.1150 -1.0517 0.5913 0.6141 0.8468 0.9065 6.2832 6.2863 6.9455 6.9776 7.1545 7.1873 7.2474 7.2898 7.8589 7.9117 8.1150 8.1244 9.5954 9.5998 9.8207 9.8369 9.9453 9.9465 14.0338 14.0475 14.3517 14.3531 14.4433 14.4470 16.7751 16.7846 k = 0.5000 0.2915-0.2952 ( 2744 PWs) bands (ev): -45.9658 -45.9658 -22.7124 -22.7108 -22.0682 -22.0669 -22.0548 -22.0525 -14.1885 -14.1885 -6.0666 -6.0621 -5.6972 -5.6904 -5.6778 -5.6742 -1.1386 -1.0755 0.5625 0.5846 0.8082 0.8683 6.2740 6.2772 6.9327 6.9604 7.1455 7.1919 7.2119 7.2713 7.8531 7.9066 8.1018 8.1111 9.6313 9.6350 9.8466 9.8625 9.9763 9.9776 14.0841 14.0971 14.3746 14.3758 14.4633 14.4668 16.8384 16.8487 k = 0.5000 0.3004-0.3041 ( 2744 PWs) bands (ev): -45.9658 -45.9658 -22.7131 -22.7116 -22.0686 -22.0673 -22.0562 -22.0539 -14.1848 -14.1847 -6.0354 -6.0309 -5.6942 -5.6873 -5.6747 -5.6707 -1.1624 -1.0996 0.5342 0.5557 0.7688 0.8290 6.2640 6.2672 6.9142 6.9367 7.1328 7.1754 7.2080 7.2644 7.8481 7.9021 8.0920 8.1008 9.6687 9.6718 9.8723 9.8878 10.0056 10.0073 14.1326 14.1450 14.3979 14.3990 14.4834 14.4869 16.8961 16.9074 k = 0.5000 0.3093-0.3130 ( 2746 PWs) bands (ev): -45.9657 -45.9657 -22.7138 -22.7123 -22.0690 -22.0677 -22.0575 -22.0552 -14.1811 -14.1811 -6.0045 -6.0001 -5.6912 -5.6843 -5.6710 -5.6667 -1.1862 -1.1239 0.5065 0.5272 0.7289 0.7889 6.2530 6.2560 6.8918 6.9097 7.1120 7.1383 7.2319 7.2721 7.8440 7.8987 8.0850 8.0934 9.7073 9.7098 9.8979 9.9128 10.0334 10.0355 14.1794 14.1912 14.4217 14.4226 14.5035 14.5070 16.9470 16.9599 k = 0.5000 0.3182-0.3219 ( 2740 PWs) bands (ev): -45.9657 -45.9657 -22.7144 -22.7130 -22.0693 -22.0681 -22.0587 -22.0565 -14.1775 -14.1775 -5.9740 -5.9697 -5.6881 -5.6813 -5.6669 -5.6625 -1.2100 -1.1484 0.4794 0.4995 0.6886 0.7481 6.2410 6.2439 6.8673 6.8815 7.0844 7.1008 7.2602 7.2923 7.8413 7.8965 8.0805 8.0883 9.7468 9.7488 9.9234 9.9377 10.0596 10.0620 14.2244 14.2354 14.4457 14.4465 14.5237 14.5270 16.9903 17.0051 k = 0.5000 0.3270-0.3308 ( 2740 PWs) bands (ev): -45.9656 -45.9656 -22.7151 -22.7137 -22.0696 -22.0684 -22.0599 -22.0577 -14.1740 -14.1740 -5.9440 -5.9399 -5.6847 -5.6781 -5.6626 -5.6581 -1.2335 -1.1729 0.4531 0.4724 0.6483 0.7071 6.2279 6.2305 6.8421 6.8535 7.0527 7.0632 7.2910 7.3208 7.8401 7.8961 8.0780 8.0853 9.7869 9.7884 9.9487 9.9624 10.0842 10.0870 14.2673 14.2777 14.4699 14.4706 14.5437 14.5469 17.0250 17.0422 k = 0.5000 0.3359-0.3397 ( 2750 PWs) bands (ev): -45.9656 -45.9656 -22.7158 -22.7144 -22.0700 -22.0688 -22.0611 -22.0590 -14.1706 -14.1706 -5.9146 -5.9107 -5.6811 -5.6746 -5.6581 -5.6537 -1.2567 -1.1973 0.4276 0.4462 0.6083 0.6661 6.2137 6.2161 6.8173 6.8266 7.0190 7.0259 7.3232 7.3540 7.8407 7.8975 8.0770 8.0840 9.8273 9.8283 9.9739 9.9869 10.1073 10.1105 14.3082 14.3178 14.4941 14.4947 14.5636 14.5666 17.0504 17.0705 k = 0.5000 0.3448-0.3487 ( 2744 PWs) bands (ev): -45.9655 -45.9655 -22.7164 -22.7151 -22.0703 -22.0692 -22.0622 -22.0602 -14.1674 -14.1674 -5.8859 -5.8823 -5.6772 -5.6709 -5.6536 -5.6493 -1.2796 -1.2215 0.4031 0.4209 0.5688 0.6254 6.1984 6.2006 6.7936 6.8012 6.9846 6.9891 7.3560 7.3895 7.8435 7.9011 8.0773 8.0841 9.8676 9.8682 9.9991 10.0114 10.1289 10.1324 14.3468 14.3557 14.5182 14.5188 14.5831 14.5860 17.0666 17.0898 k = 0.5000 0.3537-0.3576 ( 2738 PWs) bands (ev): -45.9655 -45.9655 -22.7169 -22.7157 -22.0705 -22.0695 -22.0633 -22.0613 -14.1643 -14.1643 -5.8581 -5.8548 -5.6731 -5.6670 -5.6491 -5.6449 -1.3019 -1.2454 0.3795 0.3965 0.5302 0.5853 6.1822 6.1842 6.7715 6.7777 6.9502 6.9532 7.3888 7.4253 7.8486 7.9070 8.0786 8.0853 9.9075 9.9079 10.0241 10.0357 10.1490 10.1529 14.3833 14.3914 14.5422 14.5428 14.6022 14.6050 17.0741 17.1004 k = 0.5000 0.3626-0.3665 ( 2746 PWs) bands (ev): -45.9654 -45.9654 -22.7175 -22.7163 -22.0709 -22.0699 -22.0643 -22.0624 -14.1613 -14.1613 -5.8313 -5.8283 -5.6688 -5.6629 -5.6446 -5.6407 -1.3235 -1.2690 0.3570 0.3731 0.4926 0.5459 6.1651 6.1668 6.7511 6.7563 6.9163 6.9183 7.4208 7.4603 7.8564 7.9151 8.0807 8.0874 9.9465 9.9471 10.0488 10.0598 10.1677 10.1719 14.4174 14.4247 14.5658 14.5665 14.6209 14.6235 17.0739 17.1032 k = 0.5000 0.3714-0.3754 ( 2746 PWs) bands (ev): -45.9654 -45.9654 -22.7181 -22.7169 -22.0711 -22.0702 -22.0652 -22.0634 -14.1585 -14.1585 -5.8055 -5.8029 -5.6643 -5.6587 -5.6403 -5.6366 -1.3444 -1.2920 0.3357 0.3509 0.4564 0.5076 6.1474 6.1489 6.7327 6.7371 6.8834 6.8848 7.4514 7.4932 7.8670 7.9256 8.0833 8.0901 9.9846 9.9855 10.0733 10.0836 10.1850 10.1895 14.4491 14.4557 14.5890 14.5898 14.6389 14.6413 17.0676 17.0995 k = 0.5000 0.3803-0.3843 ( 2744 PWs) bands (ev): -45.9654 -45.9654 -22.7186 -22.7175 -22.0714 -22.0705 -22.0661 -22.0644 -14.1558 -14.1558 -5.7809 -5.7787 -5.6598 -5.6543 -5.6360 -5.6326 -1.3644 -1.3143 0.3155 0.3298 0.4217 0.4707 6.1293 6.1306 6.7162 6.7199 6.8517 6.8529 7.4801 7.5232 7.8807 7.9382 8.0864 8.0934 10.0215 10.0227 10.0974 10.1072 10.2008 10.2057 14.4786 14.4844 14.6115 14.6125 14.6562 14.6585 17.0569 17.0909 k = 0.5000 0.3892-0.3932 ( 2748 PWs) bands (ev): -45.9653 -45.9653 -22.7191 -22.7180 -22.0716 -22.0709 -22.0670 -22.0654 -14.1533 -14.1533 -5.7575 -5.7560 -5.6552 -5.6499 -5.6319 -5.6288 -1.3834 -1.3359 0.2966 0.3099 0.3888 0.4352 6.1110 6.1121 6.7015 6.7047 6.8215 6.8227 7.5064 7.5498 7.8973 7.9527 8.0897 8.0969 10.0568 10.0585 10.1210 10.1302 10.2154 10.2207 14.5056 14.5107 14.6334 14.6344 14.6728 14.6749 17.0433 17.0789 k = 0.5000 0.3981-0.4021 ( 2752 PWs) bands (ev): -45.9653 -45.9653 -22.7195 -22.7186 -22.0719 -22.0712 -22.0677 -22.0662 -14.1509 -14.1509 -5.7356 -5.7348 -5.6507 -5.6454 -5.6279 -5.6251 -1.4013 -1.3566 0.2791 0.2913 0.3579 0.4016 6.0929 6.0937 6.6887 6.6915 6.7931 6.7943 7.5301 7.5727 7.9165 7.9687 8.0932 8.1007 10.0905 10.0926 10.1440 10.1528 10.2286 10.2344 14.5304 14.5347 14.6543 14.6554 14.6886 14.6904 17.0284 17.0651 k = 0.5000 0.4069-0.4110 ( 2752 PWs) bands (ev): -45.9653 -45.9653 -22.7199 -22.7190 -22.0721 -22.0715 -22.0684 -22.0670 -14.1488 -14.1488 -5.7153 -5.7151 -5.6463 -5.6409 -5.6240 -5.6216 -1.4179 -1.3763 0.2629 0.2740 0.3291 0.3699 6.0751 6.0758 6.6776 6.6800 6.7667 6.7679 7.5513 7.5918 7.9378 7.9858 8.0967 8.1045 10.1221 10.1247 10.1661 10.1745 10.2406 10.2468 14.5528 14.5565 14.6740 14.6752 14.7033 14.7050 17.0135 17.0506 k = 0.5000 0.4158-0.4199 ( 2752 PWs) bands (ev): -45.9652 -45.9652 -22.7203 -22.7195 -22.0723 -22.0719 -22.0690 -22.0678 -14.1468 -14.1468 -5.6975 -5.6963 -5.6422 -5.6363 -5.6204 -5.6183 -1.4332 -1.3949 0.2481 0.2581 0.3028 0.3403 6.0581 6.0586 6.6680 6.6700 6.7424 6.7436 7.5698 7.6074 7.9605 8.0035 8.1002 8.1084 10.1515 10.1545 10.1872 10.1954 10.2514 10.2582 14.5730 14.5762 14.6925 14.6937 14.7171 14.7186 16.9994 17.0366 k = 0.5000 0.4247-0.4288 ( 2750 PWs) bands (ev): -45.9652 -45.9652 -22.7206 -22.7199 -22.0726 -22.0722 -22.0695 -22.0684 -14.1450 -14.1450 -5.6818 -5.6792 -5.6383 -5.6315 -5.6169 -5.6151 -1.4470 -1.4122 0.2348 0.2437 0.2789 0.3130 6.0420 6.0424 6.6598 6.6616 6.7203 6.7215 7.5859 7.6200 7.9836 8.0210 8.1035 8.1121 10.1784 10.1818 10.2072 10.2151 10.2610 10.2684 14.5911 14.5937 14.7095 14.7107 14.7298 14.7311 16.9871 17.0237 k = 0.5000 0.4336-0.4377 ( 2746 PWs) bands (ev): -45.9652 -45.9652 -22.7209 -22.7202 -22.0727 -22.0724 -22.0699 -22.0689 -14.1434 -14.1434 -5.6683 -5.6642 -5.6345 -5.6266 -5.6137 -5.6121 -1.4593 -1.4282 0.2230 0.2307 0.2577 0.2882 6.0271 6.0274 6.6529 6.6544 6.7005 6.7017 7.5997 7.6299 8.0065 8.0378 8.1066 8.1157 10.2024 10.2064 10.2259 10.2336 10.2695 10.2776 14.6070 14.6091 14.7249 14.7259 14.7414 14.7425 16.9772 17.0125 k = 0.5000 0.4425-0.4466 ( 2744 PWs) bands (ev): -45.9652 -45.9652 -22.7211 -22.7205 -22.0729 -22.0727 -22.0702 -22.0694 -14.1420 -14.1420 -5.6572 -5.6515 -5.6308 -5.6213 -5.6107 -5.6093 -1.4699 -1.4427 0.2127 0.2191 0.2392 0.2660 6.0136 6.0138 6.6471 6.6484 6.6832 6.6842 7.6115 7.6375 8.0282 8.0534 8.1094 8.1190 10.2234 10.2278 10.2431 10.2504 10.2770 10.2859 14.6208 14.6225 14.7385 14.7394 14.7518 14.7526 16.9702 17.0031 k = 0.5000 0.4513-0.4555 ( 2760 PWs) bands (ev): -45.9652 -45.9652 -22.7214 -22.7209 -22.0732 -22.0730 -22.0705 -22.0699 -14.1408 -14.1408 -5.6486 -5.6417 -5.6264 -5.6160 -5.6081 -5.6066 -1.4788 -1.4556 0.2040 0.2091 0.2236 0.2465 6.0018 6.0019 6.6424 6.6434 6.6683 6.6692 7.6214 7.6433 8.0482 8.0673 8.1119 8.1219 10.2411 10.2459 10.2586 10.2652 10.2837 10.2932 14.6325 14.6339 14.7502 14.7509 14.7609 14.7615 16.9661 16.9955 k = 0.5000 0.4602-0.4644 ( 2764 PWs) bands (ev): -45.9651 -45.9651 -22.7216 -22.7212 -22.0734 -22.0733 -22.0707 -22.0702 -14.1398 -14.1398 -5.6422 -5.6356 -5.6210 -5.6110 -5.6056 -5.6040 -1.4858 -1.4668 0.1969 0.2007 0.2109 0.2298 5.9917 5.9918 6.6386 6.6395 6.6559 6.6567 7.6297 7.6474 8.0659 8.0791 8.1140 8.1243 10.2555 10.2605 10.2721 10.2776 10.2901 10.2997 14.6422 14.6432 14.7599 14.7603 14.7687 14.7692 16.9652 16.9892 k = 0.5000 0.4691-0.4733 ( 2780 PWs) bands (ev): -45.9651 -45.9651 -22.7217 -22.7214 -22.0736 -22.0735 -22.0710 -22.0706 -14.1390 -14.1390 -5.6375 -5.6324 -5.6153 -5.6073 -5.6029 -5.6015 -1.4910 -1.4763 0.1915 0.1939 0.2011 0.2159 5.9836 5.9836 6.6358 6.6364 6.6460 6.6466 7.6365 7.6500 8.0808 8.0886 8.1159 8.1260 10.2666 10.2716 10.2830 10.2865 10.2968 10.3051 14.6499 14.6506 14.7675 14.7677 14.7752 14.7754 16.9670 16.9836 k = 0.5000 0.4780-0.4822 ( 2796 PWs) bands (ev): -45.9651 -45.9651 -22.7219 -22.7217 -22.0738 -22.0738 -22.0711 -22.0708 -14.1384 -14.1384 -5.6342 -5.6307 -5.6107 -5.6054 -5.5999 -5.5993 -1.4943 -1.4839 0.1876 0.1887 0.1945 0.2050 5.9775 5.9775 6.6337 6.6341 6.6388 6.6392 7.6420 7.6514 8.0923 8.0958 8.1176 8.1266 10.2747 10.2791 10.2910 10.2924 10.3036 10.3094 14.6555 14.6561 14.7729 14.7730 14.7802 14.7803 16.9704 16.9788 k = 0.5000 0.4868-0.4911 ( 2800 PWs) bands (ev): -45.9651 -45.9651 -22.7220 -22.7218 -22.0739 -22.0739 -22.0711 -22.0710 -14.1380 -14.1380 -5.6320 -5.6301 -5.6075 -5.6048 -5.5976 -5.5975 -1.4956 -1.4897 0.1851 0.1854 0.1909 0.1971 5.9735 5.9735 6.6323 6.6326 6.6342 6.6344 7.6462 7.6515 8.0998 8.1006 8.1198 8.1261 10.2802 10.2830 10.2960 10.2963 10.3090 10.3122 14.6592 14.6595 14.7764 14.7764 14.7834 14.7835 16.9729 16.9748 k = 0.5000 0.4957-0.5000 ( 2800 PWs) bands (ev): -45.9651 -45.9651 -22.7219 -22.7219 -22.0739 -22.0739 -22.0711 -22.0711 -14.1378 -14.1378 -5.6307 -5.6302 -5.6056 -5.6050 -5.5965 -5.5965 -1.4950 -1.4935 0.1839 0.1839 0.1907 0.1923 5.9717 5.9717 6.6315 6.6316 6.6324 6.6324 7.6491 7.6504 8.1029 8.1029 8.1225 8.1242 10.2832 10.2839 10.2981 10.2981 10.3122 10.3129 14.6610 14.6610 14.7779 14.7779 14.7850 14.7850 16.9730 16.9730 k = 0.5028 0.4986 0.4943 ( 2800 PWs) bands (ev): -45.9651 -45.9651 -22.7219 -22.7219 -22.0739 -22.0739 -22.0711 -22.0711 -14.1378 -14.1378 -5.6307 -5.6302 -5.6056 -5.6050 -5.5965 -5.5965 -1.4950 -1.4935 0.1839 0.1839 0.1907 0.1923 5.9717 5.9717 6.6315 6.6316 6.6324 6.6324 7.6491 7.6504 8.1029 8.1029 8.1225 8.1242 10.2832 10.2839 10.2981 10.2981 10.3122 10.3129 14.6610 14.6610 14.7779 14.7779 14.7850 14.7850 16.9730 16.9730 k = 0.5000 0.4986 0.4971 ( 2800 PWs) bands (ev): -45.9651 -45.9651 -22.7219 -22.7219 -22.0739 -22.0739 -22.0711 -22.0711 -14.1378 -14.1378 -5.6304 -5.6304 -5.6053 -5.6053 -5.5965 -5.5965 -1.4944 -1.4944 0.1838 0.1838 0.1913 0.1913 5.9716 5.9716 6.6315 6.6315 6.6323 6.6323 7.6498 7.6498 8.1031 8.1031 8.1234 8.1234 10.2837 10.2837 10.2983 10.2983 10.3127 10.3127 14.6611 14.6611 14.7780 14.7780 14.7851 14.7851 16.9729 16.9730 k = 0.5000 0.4986 0.4971 ( 2800 PWs) bands (ev): -45.9651 -45.9651 -22.7219 -22.7219 -22.0739 -22.0739 -22.0711 -22.0711 -14.1378 -14.1378 -5.6304 -5.6304 -5.6053 -5.6053 -5.5965 -5.5965 -1.4944 -1.4944 0.1838 0.1838 0.1913 0.1913 5.9716 5.9716 6.6315 6.6315 6.6323 6.6323 7.6498 7.6498 8.1031 8.1031 8.1234 8.1234 10.2837 10.2837 10.2983 10.2983 10.3127 10.3127 14.6611 14.6611 14.7780 14.7780 14.7851 14.7851 16.9729 16.9735 k = 0.4926 0.4912 0.4898 ( 2800 PWs) bands (ev): -45.9651 -45.9651 -22.7219 -22.7219 -22.0739 -22.0739 -22.0711 -22.0711 -14.1379 -14.1379 -5.6311 -5.6311 -5.6059 -5.6059 -5.5967 -5.5967 -1.4934 -1.4934 0.1846 0.1846 0.1930 0.1930 5.9729 5.9729 6.6322 6.6322 6.6331 6.6331 7.6493 7.6493 8.1028 8.1029 8.1216 8.1216 10.2822 10.2822 10.2966 10.2967 10.3119 10.3119 14.6602 14.6602 14.7769 14.7771 14.7841 14.7841 16.9750 16.9755 k = 0.4853 0.4839 0.4825 ( 2800 PWs) bands (ev): -45.9651 -45.9651 -22.7218 -22.7218 -22.0738 -22.0738 -22.0710 -22.0710 -14.1383 -14.1383 -5.6332 -5.6332 -5.6077 -5.6077 -5.5973 -5.5973 -1.4904 -1.4904 0.1870 0.1870 0.1978 0.1978 5.9769 5.9769 6.6345 6.6345 6.6353 6.6355 7.6478 7.6478 8.1021 8.1022 8.1162 8.1162 10.2776 10.2776 10.2917 10.2919 10.3097 10.3097 14.6576 14.6576 14.7739 14.7742 14.7811 14.7811 16.9818 16.9838 k = 0.4779 0.4766 0.4752 ( 2800 PWs) bands (ev): -45.9652 -45.9652 -22.7217 -22.7217 -22.0737 -22.0737 -22.0709 -22.0709 -14.1388 -14.1388 -5.6371 -5.6371 -5.6104 -5.6104 -5.5983 -5.5983 -1.4855 -1.4855 0.1910 0.1910 0.2060 0.2060 5.9835 5.9835 6.6382 6.6382 6.6391 6.6393 7.6452 7.6452 8.1008 8.1011 8.1075 8.1075 10.2698 10.2698 10.2837 10.2839 10.3062 10.3062 14.6533 14.6533 14.7688 14.7693 14.7761 14.7761 16.9929 16.9945 k = 0.4706 0.4692 0.4679 ( 2800 PWs) bands (ev): -45.9652 -45.9652 -22.7216 -22.7216 -22.0735 -22.0735 -22.0707 -22.0707 -14.1396 -14.1396 -5.6430 -5.6430 -5.6136 -5.6136 -5.5997 -5.5997 -1.4786 -1.4786 0.1965 0.1965 0.2173 0.2173 5.9928 5.9928 6.6435 6.6435 6.6444 6.6447 7.6414 7.6414 8.0955 8.0955 8.0991 8.0995 10.2590 10.2590 10.2726 10.2728 10.3013 10.3013 14.6473 14.6473 14.7618 14.7624 14.7692 14.7692 17.0083 17.0105 k = 0.4632 0.4619 0.4606 ( 2770 PWs) bands (ev): -45.9652 -45.9652 -22.7212 -22.7212 -22.0732 -22.0732 -22.0703 -22.0703 -14.1405 -14.1405 -5.6511 -5.6511 -5.6171 -5.6171 -5.6015 -5.6015 -1.4699 -1.4699 0.2036 0.2036 0.2317 0.2317 6.0046 6.0046 6.6503 6.6503 6.6513 6.6516 7.6365 7.6365 8.0806 8.0806 8.0970 8.0974 10.2452 10.2452 10.2586 10.2589 10.2953 10.2953 14.6396 14.6396 14.7529 14.7535 14.7603 14.7603 17.0281 17.0338 k = 0.4559 0.4546 0.4533 ( 2734 PWs) bands (ev): -45.9652 -45.9652 -22.7208 -22.7208 -22.0728 -22.0728 -22.0699 -22.0699 -14.1417 -14.1417 -5.6616 -5.6616 -5.6206 -5.6206 -5.6037 -5.6037 -1.4594 -1.4594 0.2122 0.2122 0.2493 0.2493 6.0190 6.0190 6.6585 6.6585 6.6596 6.6600 7.6302 7.6302 8.0631 8.0631 8.0944 8.0949 10.2286 10.2286 10.2419 10.2422 10.2881 10.2881 14.6302 14.6302 14.7419 14.7427 14.7494 14.7494 17.0508 17.0541 k = 0.4485 0.4472 0.4460 ( 2734 PWs) bands (ev): -45.9652 -45.9652 -22.7206 -22.7206 -22.0724 -22.0724 -22.0696 -22.0696 -14.1431 -14.1431 -5.6742 -5.6742 -5.6242 -5.6242 -5.6063 -5.6063 -1.4473 -1.4473 0.2222 0.2223 0.2697 0.2697 6.0358 6.0358 6.6682 6.6682 6.6694 6.6698 7.6225 7.6225 8.0436 8.0436 8.0913 8.0920 10.2092 10.2092 10.2225 10.2229 10.2797 10.2797 14.6192 14.6192 14.7291 14.7300 14.7367 14.7367 17.0770 17.0808 k = 0.4412 0.4399 0.4387 ( 2743 PWs) bands (ev): -45.9652 -45.9652 -22.7203 -22.7203 -22.0721 -22.0721 -22.0693 -22.0693 -14.1448 -14.1448 -5.6889 -5.6889 -5.6280 -5.6280 -5.6093 -5.6093 -1.4335 -1.4335 0.2337 0.2337 0.2931 0.2931 6.0549 6.0549 6.6793 6.6793 6.6806 6.6811 7.6132 7.6132 8.0225 8.0225 8.0879 8.0886 10.1874 10.1874 10.2009 10.2012 10.2701 10.2701 14.6067 14.6067 14.7143 14.7154 14.7220 14.7220 17.1055 17.1100 k = 0.4338 0.4326 0.4314 ( 2743 PWs) bands (ev): -45.9652 -45.9652 -22.7199 -22.7199 -22.0717 -22.0717 -22.0689 -22.0689 -14.1466 -14.1466 -5.7055 -5.7055 -5.6320 -5.6320 -5.6126 -5.6126 -1.4183 -1.4183 0.2466 0.2466 0.3192 0.3192 6.0764 6.0764 6.6918 6.6918 6.6933 6.6939 7.6021 7.6021 8.0004 8.0004 8.0840 8.0849 10.1633 10.1633 10.1771 10.1775 10.2594 10.2595 14.5925 14.5925 14.6976 14.6989 14.7055 14.7055 17.1359 17.1408 k = 0.4265 0.4253 0.4240 ( 2743 PWs) bands (ev): -45.9653 -45.9653 -22.7195 -22.7195 -22.0712 -22.0712 -22.0684 -22.0684 -14.1486 -14.1486 -5.7237 -5.7237 -5.6361 -5.6361 -5.6162 -5.6162 -1.4018 -1.4018 0.2608 0.2608 0.3479 0.3479 6.1001 6.1001 6.7057 6.7057 6.7074 6.7081 7.5890 7.5890 7.9780 7.9780 8.0798 8.0807 10.1373 10.1373 10.1515 10.1520 10.2477 10.2477 14.5769 14.5769 14.6792 14.6805 14.6871 14.6871 17.1671 17.1726 k = 0.4191 0.4179 0.4167 ( 2749 PWs) bands (ev): -45.9653 -45.9653 -22.7191 -22.7191 -22.0707 -22.0707 -22.0679 -22.0679 -14.1509 -14.1509 -5.7435 -5.7435 -5.6405 -5.6405 -5.6202 -5.6202 -1.3840 -1.3840 0.2763 0.2763 0.3791 0.3791 6.1259 6.1259 6.7210 6.7210 6.7229 6.7236 7.5739 7.5739 7.9558 7.9558 8.0752 8.0763 10.1096 10.1096 10.1244 10.1248 10.2348 10.2348 14.5598 14.5598 14.6588 14.6603 14.6669 14.6669 17.1983 17.2044 k = 0.4118 0.4106 0.4094 ( 2749 PWs) bands (ev): -45.9653 -45.9653 -22.7186 -22.7186 -22.0701 -22.0701 -22.0674 -22.0674 -14.1533 -14.1533 -5.7647 -5.7647 -5.6452 -5.6452 -5.6244 -5.6244 -1.3651 -1.3651 0.2930 0.2930 0.4126 0.4126 6.1535 6.1535 6.7376 6.7376 6.7397 6.7406 7.5567 7.5567 7.9345 7.9345 8.0703 8.0715 10.0804 10.0804 10.0960 10.0964 10.2209 10.2209 14.5412 14.5412 14.6368 14.6384 14.6450 14.6450 17.2284 17.2349 k = 0.4044 0.4033 0.4021 ( 2743 PWs) bands (ev): -45.9654 -45.9654 -22.7180 -22.7180 -22.0695 -22.0695 -22.0668 -22.0668 -14.1560 -14.1560 -5.7870 -5.7870 -5.6501 -5.6501 -5.6290 -5.6289 -1.3453 -1.3453 0.3108 0.3108 0.4482 0.4482 6.1830 6.1830 6.7556 6.7556 6.7579 6.7589 7.5374 7.5374 7.9146 7.9146 8.0651 8.0665 10.0501 10.0501 10.0665 10.0670 10.2060 10.2060 14.5212 14.5212 14.6130 14.6147 14.6213 14.6213 17.2562 17.2631 k = 0.3971 0.3959 0.3948 ( 2743 PWs) bands (ev): -45.9654 -45.9654 -22.7175 -22.7175 -22.0688 -22.0688 -22.0662 -22.0662 -14.1588 -14.1588 -5.8104 -5.8104 -5.6552 -5.6552 -5.6337 -5.6337 -1.3246 -1.3246 0.3297 0.3297 0.4857 0.4857 6.2139 6.2139 6.7748 6.7748 6.7774 6.7784 7.5164 7.5164 7.8965 7.8965 8.0597 8.0612 10.0188 10.0188 10.0364 10.0369 10.1901 10.1901 14.4997 14.4997 14.5875 14.5893 14.5960 14.5960 17.2803 17.2875 k = 0.3897 0.3886 0.3875 ( 2746 PWs) bands (ev): -45.9655 -45.9655 -22.7169 -22.7169 -22.0681 -22.0681 -22.0655 -22.0655 -14.1618 -14.1618 -5.8347 -5.8347 -5.6605 -5.6605 -5.6388 -5.6388 -1.3032 -1.3032 0.3495 0.3496 0.5248 0.5248 6.2462 6.2462 6.7952 6.7952 6.7981 6.7993 7.4941 7.4941 7.8803 7.8803 8.0542 8.0558 9.9869 9.9869 10.0059 10.0063 10.1733 10.1733 14.4769 14.4769 14.5603 14.5623 14.5691 14.5691 17.2995 17.3069 k = 0.3824 0.3813 0.3802 ( 2746 PWs) bands (ev): -45.9655 -45.9655 -22.7162 -22.7162 -22.0674 -22.0674 -22.0648 -22.0648 -14.1651 -14.1651 -5.8598 -5.8598 -5.6659 -5.6659 -5.6440 -5.6440 -1.2813 -1.2813 0.3703 0.3704 0.5654 0.5654 6.2794 6.2794 6.8168 6.8168 6.8201 6.8213 7.4710 7.4710 7.8663 7.8663 8.0485 8.0503 9.9547 9.9547 9.9751 9.9756 10.1555 10.1555 14.4528 14.4528 14.5316 14.5337 14.5406 14.5406 17.3125 17.3200 k = 0.3750 0.3739 0.3729 ( 2740 PWs) bands (ev): -45.9655 -45.9655 -22.7155 -22.7155 -22.0666 -22.0666 -22.0640 -22.0640 -14.1685 -14.1685 -5.8854 -5.8854 -5.6716 -5.6716 -5.6494 -5.6494 -1.2589 -1.2589 0.3919 0.3920 0.6071 0.6071 6.3134 6.3134 6.8395 6.8395 6.8432 6.8446 7.4479 7.4479 7.8544 7.8544 8.0428 8.0447 9.9223 9.9223 9.9445 9.9449 10.1370 10.1370 14.4273 14.4273 14.5013 14.5035 14.5105 14.5105 17.3185 17.3257 k = 0.3676 0.3666 0.3656 ( 2740 PWs) bands (ev): -45.9656 -45.9656 -22.7148 -22.7148 -22.0658 -22.0658 -22.0633 -22.0633 -14.1721 -14.1721 -5.9116 -5.9116 -5.6774 -5.6774 -5.6551 -5.6550 -1.2362 -1.2362 0.4142 0.4143 0.6498 0.6498 6.3477 6.3477 6.8634 6.8634 6.8675 6.8690 7.4257 7.4257 7.8446 7.8446 8.0371 8.0392 9.8901 9.8901 9.9142 9.9146 10.1176 10.1176 14.4005 14.4005 14.4696 14.4719 14.4790 14.4790 17.3173 17.3244 k = 0.3603 0.3593 0.3582 ( 2731 PWs) bands (ev): -45.9656 -45.9656 -22.7141 -22.7141 -22.0649 -22.0649 -22.0624 -22.0624 -14.1759 -14.1759 -5.9381 -5.9381 -5.6833 -5.6833 -5.6608 -5.6608 -1.2134 -1.2134 0.4371 0.4372 0.6931 0.6931 6.3819 6.3819 6.8883 6.8883 6.8928 6.8944 7.4055 7.4055 7.8368 7.8368 8.0315 8.0339 9.8582 9.8582 9.8845 9.8849 10.0975 10.0975 14.3724 14.3724 14.4364 14.4389 14.4462 14.4462 17.3073 17.3136 k = 0.3529 0.3519 0.3509 ( 2734 PWs) bands (ev): -45.9657 -45.9657 -22.7133 -22.7133 -22.0640 -22.0640 -22.0616 -22.0616 -14.1798 -14.1798 -5.9648 -5.9648 -5.6893 -5.6893 -5.6667 -5.6667 -1.1905 -1.1905 0.4605 0.4606 0.7367 0.7367 6.4154 6.4154 6.9142 6.9142 6.9192 6.9209 7.3882 7.3882 7.8308 7.8308 8.0262 8.0287 9.8269 9.8269 9.8556 9.8559 10.0767 10.0767 14.3430 14.3430 14.4019 14.4044 14.4120 14.4120 17.2896 17.2959 k = 0.3456 0.3446 0.3436 ( 2728 PWs) bands (ev): -45.9657 -45.9657 -22.7125 -22.7125 -22.0631 -22.0631 -22.0607 -22.0607 -14.1840 -14.1840 -5.9916 -5.9916 -5.6953 -5.6953 -5.6727 -5.6726 -1.1677 -1.1677 0.4844 0.4845 0.7804 0.7804 6.4479 6.4479 6.9410 6.9410 6.9466 6.9484 7.3748 7.3748 7.8266 7.8266 8.0212 8.0239 9.7964 9.7964 9.8277 9.8279 10.0553 10.0553 14.3123 14.3123 14.3661 14.3688 14.3765 14.3765 17.2651 17.2700 k = 0.3382 0.3373 0.3363 ( 2743 PWs) bands (ev): -45.9658 -45.9658 -22.7118 -22.7118 -22.0622 -22.0622 -22.0599 -22.0599 -14.1883 -14.1883 -6.0184 -6.0184 -5.7015 -5.7015 -5.6787 -5.6787 -1.1451 -1.1451 0.5085 0.5086 0.8238 0.8238 6.4787 6.4787 6.9687 6.9687 6.9748 6.9769 7.3665 7.3665 7.8240 7.8240 8.0166 8.0195 9.7668 9.7668 9.8009 9.8011 10.0333 10.0333 14.2804 14.2804 14.3290 14.3318 14.3399 14.3399 17.2332 17.2378 k = 0.3309 0.3299 0.3290 ( 2743 PWs) bands (ev): -45.9659 -45.9659 -22.7109 -22.7109 -22.0612 -22.0612 -22.0589 -22.0589 -14.1928 -14.1928 -6.0450 -6.0450 -5.7076 -5.7076 -5.6848 -5.6848 -1.1227 -1.1227 0.5329 0.5330 0.8667 0.8667 6.5075 6.5075 6.9972 6.9972 7.0040 7.0062 7.3641 7.3641 7.8231 7.8231 8.0125 8.0157 9.7384 9.7384 9.7755 9.7756 10.0107 10.0107 14.2473 14.2473 14.2909 14.2938 14.3021 14.3021 17.1957 17.1996 k = 0.3235 0.3226 0.3217 ( 2737 PWs) bands (ev): -45.9659 -45.9659 -22.7100 -22.7100 -22.0602 -22.0602 -22.0580 -22.0580 -14.1974 -14.1974 -6.0714 -6.0714 -5.7137 -5.7137 -5.6910 -5.6910 -1.1008 -1.1008 0.5574 0.5575 0.9087 0.9087 6.5339 6.5339 7.0266 7.0266 7.0340 7.0364 7.3684 7.3684 7.8237 7.8237 8.0092 8.0126 9.7113 9.7113 9.7515 9.7516 9.9877 9.9877 14.2129 14.2129 14.2516 14.2546 14.2633 14.2633 17.1530 17.1563 k = 0.3162 0.3153 0.3144 ( 2743 PWs) bands (ev): -45.9660 -45.9660 -22.7092 -22.7092 -22.0592 -22.0592 -22.0570 -22.0570 -14.2022 -14.2022 -6.0974 -6.0974 -5.7199 -5.7199 -5.6972 -5.6972 -1.0793 -1.0793 0.5818 0.5820 0.9494 0.9494 6.5578 6.5578 7.0566 7.0566 7.0647 7.0673 7.3799 7.3799 7.8259 7.8259 8.0066 8.0103 9.6857 9.6857 9.7292 9.7292 9.9642 9.9642 14.1774 14.1774 14.2114 14.2145 14.2236 14.2236 17.1057 17.1076 k = 0.3088 0.3079 0.3071 ( 2743 PWs) bands (ev): -45.9661 -45.9661 -22.7083 -22.7083 -22.0582 -22.0582 -22.0560 -22.0560 -14.2071 -14.2071 -6.1230 -6.1230 -5.7259 -5.7259 -5.7033 -5.7033 -1.0585 -1.0585 0.6062 0.6063 0.9888 0.9888 6.5792 6.5792 7.0874 7.0874 7.0962 7.0989 7.3987 7.3987 7.8297 7.8297 8.0049 8.0089 9.6617 9.6617 9.7085 9.7086 9.9404 9.9404 14.1407 14.1407 14.1702 14.1734 14.1830 14.1830 17.0542 17.0548 k = 0.3015 0.3006 0.2998 ( 2737 PWs) bands (ev): -45.9661 -45.9661 -22.7073 -22.7073 -22.0571 -22.0571 -22.0549 -22.0549 -14.2122 -14.2122 -6.1481 -6.1481 -5.7319 -5.7319 -5.7095 -5.7095 -1.0383 -1.0383 0.6304 0.6305 1.0263 1.0263 6.5986 6.5986 7.1187 7.1187 7.1283 7.1312 7.4250 7.4250 7.8350 7.8350 8.0043 8.0085 9.6393 9.6393 9.6896 9.6897 9.9163 9.9163 14.1029 14.1029 14.1281 14.1315 14.1416 14.1416 16.9988 16.9992 k = 0.2941 0.2933 0.2924 ( 2737 PWs) bands (ev): -45.9662 -45.9662 -22.7064 -22.7064 -22.0560 -22.0560 -22.0539 -22.0539 -14.2174 -14.2174 -6.1726 -6.1726 -5.7379 -5.7379 -5.7156 -5.7156 -1.0189 -1.0189 0.6542 0.6543 1.0618 1.0618 6.6165 6.6165 7.1506 7.1506 7.1610 7.1642 7.4583 7.4583 7.8419 7.8419 8.0049 8.0094 9.6188 9.6188 9.6726 9.6727 9.8919 9.8919 14.0640 14.0640 14.0853 14.0887 14.0995 14.0995 16.9399 16.9399 k = 0.2868 0.2859 0.2851 ( 2743 PWs) bands (ev): -45.9663 -45.9663 -22.7055 -22.7055 -22.0550 -22.0550 -22.0528 -22.0528 -14.2228 -14.2228 -6.1963 -6.1963 -5.7437 -5.7437 -5.7216 -5.7216 -1.0004 -1.0004 0.6776 0.6777 1.0950 1.0950 6.6338 6.6338 7.1831 7.1831 7.1943 7.1977 7.4980 7.4980 7.8505 7.8505 8.0068 8.0115 9.6002 9.6002 9.6575 9.6577 9.8673 9.8673 14.0240 14.0240 14.0418 14.0453 14.0568 14.0568 16.8785 16.8785 k = 0.2794 0.2786 0.2778 ( 2743 PWs) bands (ev): -45.9663 -45.9663 -22.7045 -22.7045 -22.0539 -22.0539 -22.0518 -22.0518 -14.2283 -14.2283 -6.2194 -6.2194 -5.7494 -5.7494 -5.7276 -5.7276 -0.9828 -0.9828 0.7005 0.7007 1.1257 1.1257 6.6511 6.6511 7.2159 7.2159 7.2280 7.2317 7.5436 7.5436 7.8607 7.8607 8.0100 8.0151 9.5835 9.5835 9.6444 9.6446 9.8426 9.8426 13.9831 13.9831 13.9977 14.0013 14.0135 14.0135 16.8150 16.8150 k = 0.2721 0.2713 0.2705 ( 2743 PWs) bands (ev): -45.9664 -45.9664 -22.7035 -22.7035 -22.0528 -22.0528 -22.0507 -22.0507 -14.2339 -14.2339 -6.2416 -6.2416 -5.7550 -5.7550 -5.7335 -5.7335 -0.9662 -0.9662 0.7228 0.7230 1.1537 1.1537 6.6693 6.6693 7.2492 7.2492 7.2623 7.2661 7.5944 7.5944 7.8726 7.8726 8.0148 8.0202 9.5689 9.5689 9.6333 9.6336 9.8178 9.8178 13.9412 13.9412 13.9531 13.9567 13.9698 13.9698 16.7496 16.7496 k = 0.2647 0.2639 0.2632 ( 2746 PWs) bands (ev): -45.9665 -45.9665 -22.7026 -22.7026 -22.0516 -22.0516 -22.0496 -22.0496 -14.2396 -14.2396 -6.2630 -6.2630 -5.7604 -5.7604 -5.7393 -5.7392 -0.9506 -0.9506 0.7445 0.7446 1.1788 1.1788 6.6891 6.6891 7.2828 7.2828 7.2969 7.3010 7.6497 7.6497 7.8862 7.8862 8.0212 8.0269 9.5564 9.5564 9.6242 9.6245 9.7930 9.7930 13.8985 13.8985 13.9079 13.9117 13.9256 13.9256 16.6826 16.6826 k = 0.2574 0.2566 0.2559 ( 2740 PWs) bands (ev): -45.9665 -45.9665 -22.7015 -22.7015 -22.0505 -22.0505 -22.0485 -22.0485 -14.2453 -14.2453 -6.2835 -6.2835 -5.7657 -5.7657 -5.7449 -5.7449 -0.9362 -0.9362 0.7653 0.7655 1.2009 1.2009 6.7110 6.7110 7.3166 7.3166 7.3320 7.3363 7.7089 7.7089 7.9016 7.9016 8.0293 8.0352 9.5461 9.5461 9.6171 9.6175 9.7682 9.7682 13.8550 13.8550 13.8624 13.8663 13.8811 13.8811 16.6142 16.6142 k = 0.2500 0.2493 0.2486 ( 2752 PWs) bands (ev): -45.9666 -45.9666 -22.7006 -22.7006 -22.0494 -22.0494 -22.0474 -22.0474 -14.2512 -14.2512 -6.3030 -6.3030 -5.7708 -5.7708 -5.7504 -5.7504 -0.9228 -0.9228 0.7854 0.7855 1.2199 1.2199 6.7356 6.7356 7.3507 7.3507 7.3674 7.3720 7.7714 7.7714 7.9188 7.9188 8.0391 8.0454 9.5378 9.5378 9.6121 9.6125 9.7435 9.7435 13.8109 13.8109 13.8166 13.8205 13.8362 13.8362 16.5446 16.5446 k = 0.2426 0.2420 0.2413 ( 2746 PWs) bands (ev): -45.9667 -45.9667 -22.6996 -22.6996 -22.0483 -22.0483 -22.0462 -22.0462 -14.2572 -14.2572 -6.3216 -6.3216 -5.7757 -5.7757 -5.7558 -5.7558 -0.9107 -0.9107 0.8045 0.8046 1.2358 1.2358 6.7632 6.7632 7.3849 7.3849 7.4032 7.4080 7.8367 7.8367 7.9380 7.9380 8.0507 8.0573 9.5318 9.5318 9.6091 9.6095 9.7188 9.7188 13.7662 13.7662 13.7706 13.7746 13.7911 13.7911 16.4741 16.4741 k = 0.2353 0.2346 0.2340 ( 2740 PWs) bands (ev): -45.9667 -45.9667 -22.6986 -22.6986 -22.0471 -22.0471 -22.0451 -22.0451 -14.2632 -14.2632 -6.3392 -6.3392 -5.7804 -5.7804 -5.7610 -5.7610 -0.8998 -0.8998 0.8227 0.8228 1.2485 1.2485 6.7940 6.7940 7.4192 7.4192 7.4392 7.4442 7.9036 7.9036 7.9599 7.9599 8.0642 8.0710 9.5279 9.5279 9.6080 9.6085 9.6944 9.6944 13.7211 13.7211 13.7243 13.7284 13.7458 13.7458 16.4028 16.4028 k = 0.2279 0.2273 0.2266 ( 2737 PWs) bands (ev): -45.9668 -45.9668 -22.6976 -22.6976 -22.0460 -22.0460 -22.0440 -22.0440 -14.2693 -14.2693 -6.3558 -6.3558 -5.7850 -5.7850 -5.7661 -5.7661 -0.8900 -0.8900 0.8398 0.8400 1.2581 1.2581 6.8281 6.8281 7.4536 7.4536 7.4755 7.4807 7.9653 7.9653 7.9909 7.9909 8.0795 8.0865 9.5262 9.5262 9.6090 9.6095 9.6702 9.6702 13.6756 13.6756 13.6780 13.6822 13.7004 13.7004 16.3309 16.3309 k = 0.2206 0.2200 0.2193 ( 2737 PWs) bands (ev): -45.9669 -45.9669 -22.6966 -22.6966 -22.0449 -22.0448 -22.0429 -22.0429 -14.2754 -14.2754 -6.3714 -6.3714 -5.7893 -5.7893 -5.7710 -5.7709 -0.8816 -0.8816 0.8560 0.8561 1.2647 1.2647 6.8655 6.8655 7.4878 7.4878 7.5120 7.5174 7.9997 7.9997 8.0529 8.0529 8.0966 8.1039 9.5266 9.5266 9.6118 9.6123 9.6463 9.6463 13.6300 13.6300 13.6317 13.6359 13.6549 13.6549 16.2586 16.2586 k = 0.2132 0.2126 0.2120 ( 2743 PWs) bands (ev): -45.9670 -45.9670 -22.6956 -22.6956 -22.0438 -22.0438 -22.0418 -22.0418 -14.2816 -14.2816 -6.3859 -6.3859 -5.7934 -5.7934 -5.7757 -5.7757 -0.8743 -0.8743 0.8710 0.8712 1.2684 1.2684 6.9063 6.9063 7.5219 7.5219 7.5487 7.5543 8.0270 8.0270 8.1157 8.1231 8.1254 8.1254 9.5292 9.5292 9.6166 9.6171 9.6227 9.6227 13.5843 13.5843 13.5854 13.5897 13.6093 13.6093 16.1860 16.1860 k = 0.2059 0.2053 0.2047 ( 2737 PWs) bands (ev): -45.9670 -45.9670 -22.6946 -22.6946 -22.0427 -22.0427 -22.0406 -22.0406 -14.2877 -14.2877 -6.3994 -6.3994 -5.7974 -5.7974 -5.7802 -5.7802 -0.8683 -0.8683 0.8850 0.8851 1.2693 1.2693 6.9501 6.9501 7.5558 7.5558 7.5854 7.5912 8.0551 8.0551 8.1365 8.1442 8.2003 8.2003 9.5337 9.5337 9.5995 9.5995 9.6231 9.6236 13.5386 13.5386 13.5392 13.5435 13.5639 13.5639 16.1134 16.1134 k = 0.1985 0.1980 0.1974 ( 2749 PWs) bands (ev): -45.9671 -45.9671 -22.6937 -22.6937 -22.0416 -22.0416 -22.0396 -22.0396 -14.2939 -14.2939 -6.4120 -6.4120 -5.8011 -5.8011 -5.7846 -5.7845 -0.8635 -0.8635 0.8978 0.8980 1.2675 1.2675 6.9968 6.9968 7.5893 7.5893 7.6222 7.6281 8.0847 8.0847 8.1593 8.1671 8.2766 8.2766 9.5401 9.5401 9.5769 9.5769 9.6313 9.6319 13.4930 13.4930 13.4932 13.4976 13.5186 13.5186 16.0409 16.0444 k = 0.1912 0.1906 0.1901 ( 2749 PWs) bands (ev): -45.9672 -45.9672 -22.6928 -22.6928 -22.0405 -22.0405 -22.0385 -22.0385 -14.3001 -14.3001 -6.4235 -6.4235 -5.8046 -5.8046 -5.7887 -5.7887 -0.8598 -0.8598 0.9096 0.9097 1.2634 1.2634 7.0462 7.0462 7.6224 7.6224 7.6589 7.6650 8.1159 8.1159 8.1839 8.1917 8.3539 8.3539 9.5470 9.5470 9.5562 9.5562 9.6413 9.6418 13.4474 13.4476 13.4476 13.4518 13.4735 13.4735 15.9686 15.9686 k = 0.1838 0.1833 0.1828 ( 2737 PWs) bands (ev): -45.9672 -45.9672 -22.6918 -22.6918 -22.0394 -22.0394 -22.0374 -22.0374 -14.3062 -14.3062 -6.4340 -6.4340 -5.8079 -5.8079 -5.7927 -5.7927 -0.8573 -0.8573 0.9202 0.9204 1.2570 1.2570 7.0978 7.0978 7.6549 7.6549 7.6955 7.7015 8.1490 8.1490 8.2103 8.2182 8.4320 8.4320 9.5316 9.5316 9.5600 9.5600 9.6528 9.6533 13.4019 13.4026 13.4026 13.4064 13.4287 13.4287 15.8967 15.8967 k = 0.1765 0.1760 0.1755 ( 2731 PWs) bands (ev): -45.9673 -45.9673 -22.6909 -22.6909 -22.0384 -22.0384 -22.0363 -22.0363 -14.3123 -14.3123 -6.4436 -6.4436 -5.8109 -5.8109 -5.7965 -5.7964 -0.8559 -0.8559 0.9298 0.9300 1.2485 1.2485 7.1514 7.1514 7.6866 7.6866 7.7316 7.7377 8.1837 8.1837 8.2386 8.2465 8.5106 8.5106 9.5106 9.5106 9.5718 9.5718 9.6657 9.6662 13.3568 13.3580 13.3580 13.3613 13.3844 13.3844 15.8255 15.8255 k = 0.1691 0.1686 0.1682 ( 2731 PWs) bands (ev): -45.9673 -45.9673 -22.6900 -22.6900 -22.0374 -22.0374 -22.0353 -22.0353 -14.3183 -14.3183 -6.4522 -6.4522 -5.8138 -5.8138 -5.8000 -5.8000 -0.8555 -0.8555 0.9384 0.9385 1.2384 1.2384 7.2065 7.2065 7.7176 7.7176 7.7672 7.7733 8.2202 8.2202 8.2687 8.2765 8.5896 8.5896 9.4899 9.4899 9.5854 9.5854 9.6801 9.6805 13.3121 13.3140 13.3140 13.3167 13.3407 13.3407 15.7550 15.7551 k = 0.1618 0.1613 0.1608 ( 2731 PWs) bands (ev): -45.9674 -45.9674 -22.6891 -22.6891 -22.0364 -22.0364 -22.0343 -22.0343 -14.3242 -14.3242 -6.4600 -6.4600 -5.8165 -5.8165 -5.8034 -5.8034 -0.8560 -0.8560 0.9459 0.9461 1.2266 1.2266 7.2627 7.2627 7.7476 7.7476 7.8021 7.8081 8.2584 8.2584 8.3007 8.3084 8.6686 8.6686 9.4698 9.4698 9.6006 9.6006 9.6956 9.6960 13.2679 13.2706 13.2706 13.2725 13.2975 13.2975 15.6854 15.6854 k = 0.1544 0.1540 0.1535 ( 2731 PWs) bands (ev): -45.9675 -45.9675 -22.6882 -22.6882 -22.0354 -22.0354 -22.0333 -22.0333 -14.3300 -14.3300 -6.4669 -6.4669 -5.8189 -5.8189 -5.8066 -5.8066 -0.8575 -0.8575 0.9525 0.9527 1.2136 1.2136 7.3195 7.3195 7.7767 7.7767 7.8362 7.8420 8.2982 8.2982 8.3344 8.3420 8.7475 8.7475 9.4503 9.4503 9.6171 9.6171 9.7123 9.7126 13.2243 13.2279 13.2279 13.2288 13.2552 13.2552 15.6170 15.6170 k = 0.1471 0.1466 0.1462 ( 2743 PWs) bands (ev): -45.9675 -45.9675 -22.6875 -22.6875 -22.0346 -22.0345 -22.0324 -22.0324 -14.3358 -14.3358 -6.4729 -6.4729 -5.8212 -5.8212 -5.8096 -5.8096 -0.8598 -0.8598 0.9582 0.9583 1.1995 1.1995 7.3765 7.3765 7.8047 7.8047 7.8691 7.8747 8.3396 8.3396 8.3700 8.3773 8.8260 8.8260 9.4314 9.4314 9.6348 9.6348 9.7298 9.7301 13.1812 13.1858 13.1860 13.1860 13.2138 13.2138 15.5498 15.5498 k = 0.1397 0.1393 0.1389 ( 2743 PWs) bands (ev): -45.9676 -45.9676 -22.6867 -22.6867 -22.0337 -22.0337 -22.0315 -22.0315 -14.3413 -14.3413 -6.4783 -6.4783 -5.8233 -5.8233 -5.8124 -5.8124 -0.8628 -0.8628 0.9630 0.9631 1.1846 1.1846 7.4333 7.4333 7.8317 7.8317 7.9007 7.9061 8.3823 8.3823 8.4072 8.4142 8.9038 8.9038 9.4133 9.4133 9.6535 9.6535 9.7482 9.7484 13.1389 13.1434 13.1448 13.1448 13.1735 13.1735 15.4841 15.4841 k = 0.1324 0.1320 0.1316 ( 2743 PWs) bands (ev): -45.9676 -45.9676 -22.6859 -22.6859 -22.0328 -22.0328 -22.0306 -22.0306 -14.3468 -14.3468 -6.4828 -6.4828 -5.8252 -5.8252 -5.8151 -5.8150 -0.8665 -0.8665 0.9670 0.9671 1.1690 1.1690 7.4892 7.4892 7.8576 7.8576 7.9309 7.9360 8.4263 8.4263 8.4460 8.4526 8.9808 8.9808 9.3959 9.3959 9.6730 9.6730 9.7672 9.7673 13.0973 13.1018 13.1045 13.1045 13.1345 13.1345 15.4201 15.4201 k = 0.1250 0.1246 0.1243 ( 2737 PWs) bands (ev): -45.9677 -45.9677 -22.6851 -22.6851 -22.0319 -22.0319 -22.0297 -22.0297 -14.3520 -14.3520 -6.4868 -6.4868 -5.8270 -5.8270 -5.8175 -5.8175 -0.8708 -0.8708 0.9703 0.9704 1.1531 1.1531 7.5439 7.5439 7.8826 7.8826 7.9595 7.9643 8.4712 8.4712 8.4862 8.4925 9.0565 9.0565 9.3793 9.3793 9.6931 9.6931 9.7866 9.7867 13.0566 13.0611 13.0650 13.0650 13.0970 13.0970 15.3580 15.3583 k = 0.1176 0.1173 0.1170 ( 2725 PWs) bands (ev): -45.9677 -45.9677 -22.6844 -22.6844 -22.0311 -22.0311 -22.0288 -22.0288 -14.3571 -14.3571 -6.4900 -6.4900 -5.8286 -5.8286 -5.8198 -5.8198 -0.8755 -0.8755 0.9729 0.9730 1.1370 1.1370 7.5968 7.5968 7.9067 7.9067 7.9865 7.9909 8.5168 8.5168 8.5276 8.5334 9.1307 9.1307 9.3636 9.3636 9.7137 9.7137 9.8062 9.8063 13.0169 13.0212 13.0264 13.0264 13.0613 13.0613 15.2979 15.2985 k = 0.1103 0.1100 0.1097 ( 2734 PWs) bands (ev): -45.9678 -45.9678 -22.6837 -22.6837 -22.0304 -22.0304 -22.0281 -22.0281 -14.3620 -14.3620 -6.4928 -6.4928 -5.8300 -5.8300 -5.8219 -5.8219 -0.8806 -0.8806 0.9749 0.9750 1.1209 1.1209 7.6474 7.6474 7.9301 7.9301 8.0117 8.0157 8.5628 8.5628 8.5698 8.5752 9.2029 9.2029 9.3486 9.3486 9.7346 9.7346 9.8259 9.8259 12.9782 12.9825 12.9887 12.9887 13.0273 13.0273 15.2400 15.2401 k = 0.1029 0.1026 0.1024 ( 2746 PWs) bands (ev): -45.9678 -45.9678 -22.6832 -22.6832 -22.0297 -22.0297 -22.0274 -22.0274 -14.3666 -14.3666 -6.4950 -6.4950 -5.8313 -5.8313 -5.8238 -5.8238 -0.8859 -0.8859 0.9763 0.9765 1.1050 1.1050 7.6951 7.6951 7.9530 7.9530 8.0351 8.0388 8.6088 8.6088 8.6126 8.6175 9.2729 9.2729 9.3345 9.3345 9.7554 9.7554 9.8454 9.8455 12.9407 12.9448 12.9521 12.9521 12.9954 12.9954 15.1847 15.1859 k = 0.0956 0.0953 0.0950 ( 2749 PWs) bands (ev): -45.9679 -45.9679 -22.6826 -22.6826 -22.0291 -22.0291 -22.0267 -22.0267 -14.3710 -14.3710 -6.4968 -6.4968 -5.8325 -5.8325 -5.8256 -5.8256 -0.8914 -0.8914 0.9773 0.9774 1.0895 1.0895 7.7395 7.7395 7.9756 7.9756 8.0568 8.0601 8.6546 8.6546 8.6555 8.6600 9.3211 9.3211 9.3405 9.3405 9.7761 9.7761 9.8645 9.8647 12.9045 12.9085 12.9166 12.9166 12.9656 12.9656 15.1317 15.1317 k = 0.0882 0.0880 0.0877 ( 2749 PWs) bands (ev): -45.9679 -45.9679 -22.6820 -22.6820 -22.0284 -22.0284 -22.0260 -22.0260 -14.3752 -14.3752 -6.4982 -6.4982 -5.8335 -5.8335 -5.8272 -5.8272 -0.8970 -0.8970 0.9779 0.9780 1.0745 1.0745 7.7800 7.7800 7.9981 7.9981 8.0766 8.0796 8.6982 8.6996 8.6996 8.7022 9.3088 9.3088 9.4048 9.4048 9.7965 9.7965 9.8831 9.8833 12.8698 12.8737 12.8824 12.8824 12.9380 12.9380 15.0818 15.0820 k = 0.0809 0.0807 0.0804 ( 2749 PWs) bands (ev): -45.9679 -45.9679 -22.6815 -22.6815 -22.0279 -22.0279 -22.0254 -22.0254 -14.3791 -14.3791 -6.4992 -6.4992 -5.8344 -5.8344 -5.8287 -5.8287 -0.9026 -0.9026 0.9782 0.9783 1.0602 1.0602 7.8163 7.8163 8.0207 8.0207 8.0947 8.0973 8.7401 8.7435 8.7435 8.7437 9.2974 9.2974 9.4656 9.4656 9.8163 9.8163 9.9009 9.9012 12.8367 12.8404 12.8497 12.8497 12.9126 12.9126 15.0349 15.0369 k = 0.0735 0.0733 0.0731 ( 2755 PWs) bands (ev): -45.9680 -45.9680 -22.6810 -22.6810 -22.0274 -22.0274 -22.0249 -22.0249 -14.3827 -14.3827 -6.4999 -6.4999 -5.8352 -5.8352 -5.8300 -5.8300 -0.9080 -0.9080 0.9782 0.9783 1.0467 1.0467 7.8480 7.8480 8.0434 8.0434 8.1110 8.1133 8.7808 8.7840 8.7859 8.7859 9.2869 9.2869 9.5225 9.5225 9.8355 9.8355 9.9179 9.9182 12.8055 12.8090 12.8187 12.8187 12.8894 12.8894 14.9911 14.9914 k = 0.0662 0.0660 0.0658 ( 2767 PWs) bands (ev): -45.9680 -45.9680 -22.6807 -22.6807 -22.0269 -22.0269 -22.0244 -22.0244 -14.3860 -14.3860 -6.5004 -6.5004 -5.8359 -5.8359 -5.8312 -5.8312 -0.9132 -0.9132 0.9780 0.9781 1.0341 1.0341 7.8752 7.8752 8.0660 8.0660 8.1256 8.1276 8.8197 8.8226 8.8261 8.8261 9.2774 9.2774 9.5751 9.5751 9.8538 9.8538 9.9337 9.9340 12.7763 12.7796 12.7896 12.7896 12.8686 12.8686 14.9509 14.9510 k = 0.0588 0.0587 0.0585 ( 2773 PWs) bands (ev): -45.9680 -45.9680 -22.6803 -22.6803 -22.0265 -22.0265 -22.0240 -22.0240 -14.3890 -14.3890 -6.5007 -6.5007 -5.8365 -5.8365 -5.8323 -5.8322 -0.9181 -0.9181 0.9777 0.9778 1.0226 1.0226 7.8981 7.8981 8.0881 8.0881 8.1386 8.1403 8.8564 8.8589 8.8638 8.8638 9.2688 9.2688 9.6229 9.6229 9.8712 9.8712 9.9482 9.9486 12.7494 12.7524 12.7627 12.7627 12.8500 12.8500 14.9143 14.9145 k = 0.0515 0.0513 0.0512 ( 2773 PWs) bands (ev): -45.9681 -45.9681 -22.6799 -22.6799 -22.0261 -22.0261 -22.0236 -22.0236 -14.3916 -14.3916 -6.5009 -6.5009 -5.8370 -5.8370 -5.8332 -5.8331 -0.9227 -0.9227 0.9773 0.9774 1.0122 1.0122 7.9170 7.9170 8.1093 8.1093 8.1499 8.1514 8.8904 8.8925 8.8985 8.8985 9.2612 9.2612 9.6656 9.6656 9.8874 9.8874 9.9614 9.9617 12.7250 12.7277 12.7382 12.7382 12.8337 12.8337 14.8815 14.8819 k = 0.0441 0.0440 0.0439 ( 2767 PWs) bands (ev): -45.9681 -45.9681 -22.6796 -22.6796 -22.0258 -22.0258 -22.0232 -22.0232 -14.3940 -14.3940 -6.5009 -6.5009 -5.8374 -5.8374 -5.8339 -5.8339 -0.9268 -0.9268 0.9768 0.9769 1.0031 1.0031 7.9324 7.9324 8.1289 8.1289 8.1597 8.1609 8.9211 8.9228 8.9298 8.9298 9.2546 9.2546 9.7027 9.7027 9.9024 9.9024 9.9730 9.9733 12.7033 12.7056 12.7164 12.7164 12.8197 12.8197 14.8527 14.8529 k = 0.0368 0.0367 0.0366 ( 2767 PWs) bands (ev): -45.9681 -45.9681 -22.6793 -22.6793 -22.0255 -22.0255 -22.0229 -22.0229 -14.3960 -14.3960 -6.5009 -6.5009 -5.8377 -5.8377 -5.8346 -5.8346 -0.9303 -0.9303 0.9764 0.9764 0.9952 0.9952 7.9448 7.9448 8.1463 8.1463 8.1679 8.1690 8.9480 8.9494 8.9571 8.9571 9.2490 9.2490 9.7340 9.7340 9.9158 9.9158 9.9830 9.9833 12.6845 12.6865 12.6975 12.6975 12.8079 12.8079 14.8281 14.8284 k = 0.0294 0.0293 0.0292 ( 2767 PWs) bands (ev): -45.9681 -45.9681 -22.6791 -22.6791 -22.0253 -22.0253 -22.0226 -22.0226 -14.3976 -14.3976 -6.5008 -6.5008 -5.8380 -5.8380 -5.8351 -5.8351 -0.9333 -0.9333 0.9759 0.9760 0.9887 0.9887 7.9543 7.9543 8.1612 8.1612 8.1747 8.1754 8.9707 8.9719 8.9801 8.9801 9.2444 9.2444 9.7595 9.7595 9.9276 9.9276 9.9913 9.9915 12.6688 12.6704 12.6816 12.6816 12.7984 12.7984 14.8077 14.8078 k = 0.0221 0.0220 0.0219 ( 2780 PWs) bands (ev): -45.9681 -45.9681 -22.6790 -22.6790 -22.0251 -22.0251 -22.0225 -22.0225 -14.3989 -14.3989 -6.5008 -6.5008 -5.8382 -5.8382 -5.8355 -5.8355 -0.9357 -0.9357 0.9756 0.9756 0.9835 0.9835 7.9615 7.9615 8.1732 8.1732 8.1799 8.1804 8.9889 8.9897 8.9984 8.9984 9.2409 9.2409 9.7791 9.7791 9.9373 9.9373 9.9978 9.9980 12.6564 12.6577 12.6690 12.6690 12.7910 12.7910 14.7917 14.7921 k = 0.0147 0.0147 0.0146 ( 2780 PWs) bands (ev): -45.9682 -45.9682 -22.6789 -22.6789 -22.0250 -22.0250 -22.0224 -22.0224 -14.3998 -14.3998 -6.5007 -6.5007 -5.8384 -5.8384 -5.8358 -5.8358 -0.9375 -0.9375 0.9753 0.9753 0.9798 0.9798 7.9665 7.9665 8.1819 8.1819 8.1836 8.1840 9.0021 9.0027 9.0117 9.0117 9.2383 9.2383 9.7929 9.7929 9.9445 9.9445 10.0025 10.0026 12.6475 12.6484 12.6599 12.6599 12.7857 12.7857 14.7802 14.7818 k = 0.0074 0.0073 0.0073 ( 2777 PWs) bands (ev): -45.9682 -45.9682 -22.6788 -22.6788 -22.0249 -22.0249 -22.0222 -22.0222 -14.4004 -14.4004 -6.5007 -6.5007 -5.8385 -5.8385 -5.8360 -5.8360 -0.9385 -0.9385 0.9751 0.9751 0.9776 0.9776 7.9695 7.9695 8.1859 8.1861 8.1872 8.1872 9.0102 9.0105 9.0197 9.0197 9.2368 9.2368 9.8011 9.8011 9.9491 9.9491 10.0053 10.0054 12.6423 12.6427 12.6544 12.6544 12.7826 12.7826 14.7733 14.7734 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9682 -45.9682 -22.6788 -22.6788 -22.0249 -22.0249 -22.0222 -22.0222 -14.4005 -14.4005 -6.5006 -6.5006 -5.8385 -5.8385 -5.8360 -5.8360 -0.9389 -0.9389 0.9750 0.9750 0.9769 0.9769 7.9704 7.9704 8.1867 8.1867 8.1890 8.1890 9.0130 9.0130 9.0224 9.0224 9.2363 9.2363 9.8038 9.8038 9.9506 9.9506 10.0063 10.0063 12.6406 12.6406 12.6526 12.6526 12.7815 12.7815 14.7710 14.7710 k = 0.0000 0.0000 0.0000 ( 2777 PWs) bands (ev): -45.9682 -45.9682 -22.6788 -22.6788 -22.0249 -22.0249 -22.0222 -22.0222 -14.4005 -14.4005 -6.5006 -6.5006 -5.8385 -5.8385 -5.8360 -5.8360 -0.9389 -0.9389 0.9750 0.9750 0.9769 0.9769 7.9704 7.9704 8.1867 8.1867 8.1890 8.1890 9.0130 9.0130 9.0224 9.0224 9.2363 9.2363 9.8038 9.8038 9.9506 9.9506 10.0063 10.0063 12.6406 12.6406 12.6526 12.6526 12.7815 12.7815 14.7711 14.7718 k = 0.0089-0.0000-0.0089 ( 2775 PWs) bands (ev): -45.9682 -45.9682 -22.6788 -22.6788 -22.0249 -22.0249 -22.0223 -22.0222 -14.4004 -14.4004 -6.5008 -6.5005 -5.8387 -5.8383 -5.8360 -5.8360 -0.9386 -0.9385 0.9755 0.9756 0.9768 0.9776 7.9671 7.9716 8.1829 8.1848 8.1879 8.1905 9.0113 9.0113 9.0196 9.0219 9.2337 9.2354 9.7856 9.8166 9.9342 9.9632 10.0069 10.0074 12.6415 12.6419 12.6527 12.6555 12.7816 12.7837 14.7726 14.7729 k = 0.0178-0.0001-0.0179 ( 2769 PWs) bands (ev): -45.9681 -45.9681 -22.6789 -22.6788 -22.0249 -22.0249 -22.0224 -22.0222 -14.3998 -14.3998 -6.5011 -6.5004 -5.8388 -5.8379 -5.8359 -5.8358 -0.9375 -0.9373 0.9762 0.9768 0.9777 0.9796 7.9614 7.9706 8.1743 8.1803 8.1860 8.1894 9.0054 9.0060 9.0138 9.0183 9.2279 9.2314 9.7631 9.8217 9.9173 9.9694 10.0079 10.0118 12.6426 12.6456 12.6575 12.6611 12.7838 12.7879 14.7759 14.7767 k = 0.0267-0.0001-0.0268 ( 2763 PWs) bands (ev): -45.9681 -45.9681 -22.6790 -22.6788 -22.0250 -22.0250 -22.0225 -22.0223 -14.3989 -14.3989 -6.5014 -6.5004 -5.8388 -5.8375 -5.8356 -5.8356 -0.9358 -0.9355 0.9768 0.9775 0.9810 0.9832 7.9534 7.9672 8.1620 8.1732 8.1822 8.1861 8.9947 8.9964 9.0058 9.0121 9.2195 9.2246 9.7368 9.8161 9.9040 9.9694 10.0086 10.0186 12.6433 12.6504 12.6676 12.6710 12.7884 12.7942 14.7816 14.7827 k = 0.0356-0.0001-0.0357 ( 2767 PWs) bands (ev): -45.9681 -45.9681 -22.6793 -22.6790 -22.0253 -22.0252 -22.0227 -22.0224 -14.3976 -14.3976 -6.5018 -6.5004 -5.8388 -5.8370 -5.8353 -5.8352 -0.9334 -0.9330 0.9775 0.9782 0.9856 0.9883 7.9429 7.9615 8.1462 8.1632 8.1764 8.1811 8.9790 8.9818 8.9957 9.0032 9.2092 9.2159 9.7072 9.7980 9.8960 9.9653 10.0085 10.0252 12.6446 12.6557 12.6820 12.6859 12.7953 12.8025 14.7893 14.7908 k = 0.0445-0.0001-0.0446 ( 2767 PWs) bands (ev): -45.9681 -45.9681 -22.6795 -22.6791 -22.0256 -22.0255 -22.0230 -22.0226 -14.3960 -14.3960 -6.5022 -6.5005 -5.8387 -5.8364 -5.8350 -5.8346 -0.9303 -0.9299 0.9784 0.9792 0.9916 0.9947 7.9295 7.9530 8.1273 8.1502 8.1688 8.1748 8.9587 8.9625 8.9830 8.9912 9.1980 9.2061 9.6746 9.7701 9.8914 9.9586 10.0073 10.0301 12.6471 12.6614 12.7005 12.7054 12.8044 12.8128 14.7992 14.8011 k = 0.0534-0.0002-0.0536 ( 2765 PWs) bands (ev): -45.9681 -45.9681 -22.6798 -22.6793 -22.0260 -22.0258 -22.0232 -22.0228 -14.3941 -14.3940 -6.5027 -6.5007 -5.8386 -5.8357 -5.8345 -5.8338 -0.9267 -0.9262 0.9794 0.9804 0.9989 1.0023 7.9131 7.9414 8.1055 8.1343 8.1597 8.1670 8.9338 8.9387 8.9671 8.9758 9.1870 9.1962 9.6393 9.7356 9.8872 9.9500 10.0048 10.0323 12.6511 12.6680 12.7230 12.7291 12.8159 12.8251 14.8111 14.8133 k = 0.0623-0.0002-0.0625 ( 2753 PWs) bands (ev): -45.9681 -45.9681 -22.6801 -22.6795 -22.0264 -22.0261 -22.0234 -22.0230 -14.3918 -14.3917 -6.5033 -6.5009 -5.8383 -5.8349 -5.8339 -5.8329 -0.9224 -0.9219 0.9806 0.9818 1.0074 1.0111 7.8933 7.9262 8.0814 8.1157 8.1493 8.1580 8.9047 8.9105 8.9481 8.9568 9.1769 9.1868 9.6015 9.6964 9.8819 9.9397 10.0007 10.0315 12.6570 12.6759 12.7491 12.7563 12.8296 12.8396 14.8247 14.8272 k = 0.0712-0.0002-0.0714 ( 2749 PWs) bands (ev): -45.9680 -45.9680 -22.6804 -22.6798 -22.0269 -22.0265 -22.0237 -22.0232 -14.3891 -14.3890 -6.5038 -6.5012 -5.8380 -5.8339 -5.8331 -5.8317 -0.9177 -0.9171 0.9820 0.9833 1.0170 1.0210 7.8699 7.9069 8.0555 8.0945 8.1380 8.1477 8.8714 8.8783 8.9259 8.9343 9.1683 9.1786 9.5613 9.6537 9.8748 9.9278 9.9947 10.0278 12.6650 12.6855 12.7785 12.7868 12.8456 12.8564 14.8400 14.8428 k = 0.0801-0.0002-0.0804 ( 2755 PWs) bands (ev): -45.9680 -45.9680 -22.6809 -22.6802 -22.0276 -22.0271 -22.0240 -22.0235 -14.3862 -14.3861 -6.5045 -6.5015 -5.8376 -5.8331 -5.8320 -5.8302 -0.9126 -0.9119 0.9835 0.9850 1.0276 1.0317 7.8427 7.8829 8.0284 8.0710 8.1258 8.1364 8.8344 8.8426 8.9008 8.9086 9.1614 9.1718 9.5192 9.6081 9.8659 9.9145 9.9868 10.0211 12.6752 12.6969 12.8106 12.8201 12.8639 12.8756 14.8567 14.8599 k = 0.0890-0.0003-0.0893 ( 2755 PWs) bands (ev): -45.9680 -45.9680 -22.6813 -22.6806 -22.0284 -22.0278 -22.0243 -22.0237 -14.3829 -14.3828 -6.5051 -6.5018 -5.8372 -5.8323 -5.8305 -5.8284 -0.9071 -0.9062 0.9853 0.9869 1.0391 1.0433 7.8117 7.8538 8.0004 8.0453 8.1130 8.1241 8.7940 8.8037 8.8730 8.8802 9.1561 9.1662 9.4753 9.5601 9.8551 9.8999 9.9770 10.0117 12.6877 12.7104 12.8450 12.8558 12.8845 12.8976 14.8747 14.8782 k = 0.0979-0.0003-0.0982 ( 2755 PWs) bands (ev): -45.9680 -45.9680 -22.6818 -22.6810 -22.0292 -22.0285 -22.0246 -22.0240 -14.3794 -14.3793 -6.5057 -6.5022 -5.8366 -5.8314 -5.8286 -5.8263 -0.9014 -0.9001 0.9872 0.9889 1.0514 1.0556 7.7768 7.8196 7.9716 8.0173 8.0998 8.1111 8.7508 8.7622 8.8429 8.8497 9.1522 9.1619 9.4299 9.5100 9.8427 9.8841 9.9654 9.9997 12.7027 12.7262 12.8807 12.8931 12.9079 12.9232 14.8939 14.8976 k = 0.1068-0.0003-0.1071 ( 2755 PWs) bands (ev): -45.9679 -45.9679 -22.6824 -22.6815 -22.0301 -22.0292 -22.0249 -22.0243 -14.3756 -14.3755 -6.5063 -6.5025 -5.8360 -5.8306 -5.8264 -5.8239 -0.8954 -0.8938 0.9893 0.9912 1.0642 1.0684 7.7383 7.7807 7.9418 7.9869 8.0864 8.0975 8.7053 8.7184 8.8109 8.8174 9.1494 9.1585 9.3836 9.4583 9.8288 9.8672 9.9520 9.9856 12.7201 12.7442 12.9162 12.9281 12.9375 12.9535 14.9139 14.9179 k = 0.1157-0.0003-0.1161 ( 2753 PWs) bands (ev): -45.9679 -45.9679 -22.6829 -22.6820 -22.0311 -22.0301 -22.0253 -22.0246 -14.3715 -14.3714 -6.5069 -6.5028 -5.8354 -5.8297 -5.8238 -5.8211 -0.8893 -0.8872 0.9915 0.9935 1.0775 1.0817 7.6964 7.7375 7.9105 7.9541 8.0729 8.0837 8.6580 8.6729 8.7773 8.7836 9.1472 9.1554 9.3371 9.4058 9.8135 9.8494 9.9372 9.9698 12.7401 12.7646 12.9500 12.9573 12.9767 12.9896 14.9347 14.9390 k = 0.1246-0.0004-0.1250 ( 2755 PWs) bands (ev): -45.9678 -45.9678 -22.6836 -22.6826 -22.0321 -22.0310 -22.0256 -22.0248 -14.3672 -14.3671 -6.5074 -6.5031 -5.8347 -5.8287 -5.8208 -5.8179 -0.8831 -0.8805 0.9939 0.9960 1.0911 1.0952 7.6515 7.6909 7.8775 7.9189 8.0594 8.0697 8.6092 8.6258 8.7425 8.7487 9.1449 9.1514 9.2916 9.3532 9.7970 9.8308 9.9211 9.9526 12.7625 12.7872 12.9823 12.9870 13.0191 13.0305 14.9561 14.9606 k = 0.1335-0.0004-0.1339 ( 2752 PWs) bands (ev): -45.9678 -45.9678 -22.6842 -22.6831 -22.0332 -22.0320 -22.0259 -22.0251 -14.3627 -14.3625 -6.5078 -6.5032 -5.8339 -5.8277 -5.8174 -5.8144 -0.8768 -0.8736 0.9964 0.9987 1.1047 1.1088 7.6041 7.6414 7.8422 7.8811 8.0458 8.0556 8.5593 8.5774 8.7068 8.7129 9.1406 9.1444 9.2501 9.3022 9.7793 9.8114 9.9043 9.9347 12.7872 12.8122 13.0143 13.0185 13.0634 13.0744 14.9779 14.9826 k = 0.1425-0.0004-0.1429 ( 2756 PWs) bands (ev): -45.9678 -45.9678 -22.6849 -22.6838 -22.0344 -22.0331 -22.0263 -22.0255 -14.3579 -14.3578 -6.5080 -6.5032 -5.8331 -5.8266 -5.8137 -5.8104 -0.8706 -0.8668 0.9990 1.0015 1.1182 1.1225 7.5545 7.5896 7.8046 7.8409 8.0322 8.0416 8.5085 8.5280 8.6704 8.6765 9.1255 9.1341 9.2190 9.2564 9.7605 9.7911 9.8872 9.9166 12.8143 12.8394 13.0472 13.0516 13.1091 13.1202 14.9999 15.0049 k = 0.1514-0.0004-0.1518 ( 2754 PWs) bands (ev): -45.9677 -45.9677 -22.6856 -22.6844 -22.0356 -22.0342 -22.0267 -22.0258 -14.3530 -14.3529 -6.5080 -6.5030 -5.8322 -5.8255 -5.8095 -5.8061 -0.8646 -0.8599 1.0016 1.0044 1.1313 1.1361 7.5032 7.5362 7.7647 7.7983 8.0184 8.0276 8.4569 8.4775 8.6336 8.6395 9.0942 9.1146 9.2030 9.2227 9.7405 9.7698 9.8704 9.8990 12.8436 12.8688 13.0814 13.0861 13.1560 13.1672 15.0221 15.0273 k = 0.1603-0.0005-0.1607 ( 2740 PWs) bands (ev): -45.9677 -45.9677 -22.6862 -22.6850 -22.0368 -22.0353 -22.0270 -22.0261 -14.3480 -14.3478 -6.5078 -6.5026 -5.8313 -5.8244 -5.8050 -5.8015 -0.8586 -0.8532 1.0044 1.0074 1.1438 1.1495 7.4507 7.4815 7.7224 7.7534 8.0045 8.0137 8.4048 8.4261 8.5966 8.6021 9.0531 9.0800 9.1980 9.2058 9.7191 9.7473 9.8546 9.8823 12.8749 12.9002 13.1168 13.1219 13.2038 13.2151 15.0442 15.0496 k = 0.1692-0.0005-0.1696 ( 2742 PWs) bands (ev): -45.9676 -45.9676 -22.6870 -22.6857 -22.0381 -22.0365 -22.0274 -22.0264 -14.3427 -14.3426 -6.5073 -6.5019 -5.8303 -5.8232 -5.8002 -5.7965 -0.8529 -0.8466 1.0072 1.0105 1.1557 1.1624 7.3972 7.4260 7.6779 7.7064 7.9903 7.9998 8.3519 8.3736 8.5596 8.5646 9.0085 9.0355 9.1979 9.2013 9.6963 9.7231 9.8406 9.8673 12.9082 12.9334 13.1534 13.1588 13.2522 13.2637 15.0661 15.0718 k = 0.1781-0.0005-0.1786 ( 2740 PWs) bands (ev): -45.9676 -45.9676 -22.6878 -22.6864 -22.0394 -22.0377 -22.0278 -22.0268 -14.3374 -14.3373 -6.5064 -6.5008 -5.8293 -5.8220 -5.7951 -5.7912 -0.8474 -0.8402 1.0099 1.0137 1.1667 1.1748 7.3432 7.3701 7.6314 7.6576 7.9758 7.9859 8.2985 8.3200 8.5226 8.5270 8.9634 8.9877 9.1999 9.2032 9.6720 9.6972 9.8288 9.8543 12.9433 12.9685 13.1910 13.1967 13.3012 13.3127 15.0878 15.0937 k = 0.1870-0.0005-0.1875 ( 2742 PWs) bands (ev): -45.9675 -45.9675 -22.6885 -22.6872 -22.0408 -22.0390 -22.0282 -22.0272 -14.3320 -14.3318 -6.5051 -6.4994 -5.8282 -5.8207 -5.7897 -5.7857 -0.8422 -0.8341 1.0127 1.0169 1.1767 1.1864 7.2890 7.3141 7.5831 7.6072 7.9609 7.9718 8.2444 8.2652 8.4858 8.4895 8.9197 8.9402 9.2037 9.2077 9.6462 9.6695 9.8196 9.8436 12.9800 13.0052 13.2295 13.2354 13.3505 13.3621 15.1091 15.1152 k = 0.1959-0.0006-0.1964 ( 2742 PWs) bands (ev): -45.9675 -45.9675 -22.6893 -22.6880 -22.0421 -22.0403 -22.0286 -22.0275 -14.3265 -14.3263 -6.5034 -6.4975 -5.8271 -5.8194 -5.7840 -5.7799 -0.8373 -0.8282 1.0154 1.0202 1.1857 1.1972 7.2349 7.2583 7.5334 7.5554 7.9453 7.9576 8.1896 8.2091 8.4492 8.4521 8.8783 8.8949 9.2090 9.2135 9.6189 9.6402 9.8132 9.8354 13.0183 13.0433 13.2687 13.2749 13.4000 13.4116 15.1300 15.1362 k = 0.2048-0.0006-0.2054 ( 2746 PWs) bands (ev): -45.9674 -45.9674 -22.6902 -22.6888 -22.0436 -22.0417 -22.0290 -22.0279 -14.3209 -14.3208 -6.5012 -6.4952 -5.8260 -5.8181 -5.7782 -5.7740 -0.8328 -0.8227 1.0180 1.0234 1.1935 1.2070 7.1810 7.2029 7.4824 7.5024 7.9289 7.9433 8.1342 8.1516 8.4128 8.4150 8.8401 8.8529 9.2152 9.2202 9.5904 9.6094 9.8095 9.8300 13.0579 13.0829 13.3085 13.3149 13.4496 13.4613 15.1502 15.1566 k = 0.2137-0.0006-0.2143 ( 2742 PWs) bands (ev): -45.9673 -45.9673 -22.6910 -22.6895 -22.0450 -22.0431 -22.0294 -22.0283 -14.3153 -14.3152 -6.4984 -6.4922 -5.8248 -5.8168 -5.7723 -5.7680 -0.8286 -0.8175 1.0204 1.0266 1.2001 1.2158 7.1277 7.1482 7.4303 7.4486 7.9109 7.9288 8.0786 8.0929 8.3766 8.3781 8.8056 8.8152 9.2221 9.2276 9.5607 9.5776 9.8086 9.8271 13.0987 13.1236 13.3486 13.3552 13.4992 13.5108 15.1698 15.1764 k = 0.2226-0.0006-0.2232 ( 2740 PWs) bands (ev): -45.9673 -45.9673 -22.6918 -22.6903 -22.0464 -22.0445 -22.0298 -22.0286 -14.3097 -14.3096 -6.4949 -6.4887 -5.8235 -5.8154 -5.7663 -5.7619 -0.8249 -0.8128 1.0226 1.0297 1.2054 1.2235 7.0751 7.0943 7.3776 7.3942 7.8905 7.9140 8.0230 8.0337 8.3406 8.3416 8.7756 8.7823 9.2295 9.2354 9.5302 9.5449 9.8103 9.8269 13.1406 13.1653 13.3889 13.3957 13.5487 13.5603 15.1887 15.1955 k = 0.2315-0.0007-0.2321 ( 2740 PWs) bands (ev): -45.9672 -45.9672 -22.6927 -22.6912 -22.0478 -22.0459 -22.0301 -22.0290 -14.3041 -14.3040 -6.4909 -6.4845 -5.8223 -5.8140 -5.7603 -5.7558 -0.8216 -0.8085 1.0246 1.0327 1.2095 1.2300 7.0234 7.0413 7.3243 7.3394 7.8654 7.8989 7.9661 7.9780 8.3047 8.3054 8.7503 8.7549 9.2372 9.2436 9.4990 9.5117 9.8144 9.8292 13.1833 13.2079 13.4292 13.4363 13.5980 13.6095 15.2068 15.2138 k = 0.2404-0.0007-0.2411 ( 2738 PWs) bands (ev): -45.9672 -45.9672 -22.6935 -22.6920 -22.0493 -22.0473 -22.0305 -22.0294 -14.2985 -14.2984 -6.4861 -6.4796 -5.8210 -5.8126 -5.7544 -5.7499 -0.8188 -0.8047 1.0263 1.0354 1.2124 1.2354 6.9727 6.9894 7.2708 7.2844 7.8317 7.8815 7.9071 7.9324 8.2690 8.2695 8.7301 8.7332 9.2450 9.2521 9.4674 9.4784 9.8208 9.8338 13.2268 13.2512 13.4694 13.4767 13.6469 13.6583 15.2241 15.2312 k = 0.2493-0.0007-0.2500 ( 2742 PWs) bands (ev): -45.9671 -45.9671 -22.6943 -22.6928 -22.0507 -22.0487 -22.0309 -22.0298 -14.2930 -14.2928 -6.4806 -6.4740 -5.8197 -5.8112 -5.7486 -5.7441 -0.8164 -0.8013 1.0276 1.0378 1.2141 1.2397 6.9231 6.9387 7.2172 7.2295 7.7869 7.8370 7.8730 7.8980 8.2335 8.2340 8.7150 8.7173 9.2530 9.2606 9.4357 9.4452 9.8294 9.8407 13.2709 13.2952 13.5094 13.5168 13.6955 13.7068 15.2405 15.2477 k = 0.2582-0.0007-0.2589 ( 2738 PWs) bands (ev): -45.9671 -45.9671 -22.6952 -22.6937 -22.0522 -22.0501 -22.0313 -22.0302 -14.2875 -14.2874 -6.4743 -6.4677 -5.8184 -5.8098 -5.7431 -5.7385 -0.8144 -0.7984 1.0285 1.0398 1.2148 1.2430 6.8746 6.8893 7.1638 7.1748 7.7333 7.7735 7.8565 7.8721 8.1984 8.1988 8.7052 8.7072 9.2606 9.2690 9.4042 9.4127 9.8400 9.8497 13.3154 13.3395 13.5490 13.5565 13.7436 13.7547 15.2559 15.2633 k = 0.2671-0.0008-0.2679 ( 2740 PWs) bands (ev): -45.9670 -45.9670 -22.6960 -22.6945 -22.0536 -22.0516 -22.0317 -22.0305 -14.2821 -14.2820 -6.4672 -6.4605 -5.8171 -5.8084 -5.7378 -5.7332 -0.8129 -0.7960 1.0288 1.0412 1.2146 1.2453 6.8274 6.8411 7.1107 7.1206 7.6748 7.7084 7.8409 7.8509 8.1637 8.1640 8.7005 8.7026 9.2676 9.2768 9.3734 9.3819 9.8524 9.8606 13.3602 13.3841 13.5880 13.5957 13.7911 13.8020 15.2704 15.2780 k = 0.2760-0.0008-0.2768 ( 2734 PWs) bands (ev): -45.9669 -45.9669 -22.6968 -22.6953 -22.0550 -22.0530 -22.0320 -22.0309 -14.2768 -14.2767 -6.4593 -6.4526 -5.8158 -5.8070 -5.7329 -5.7282 -0.8119 -0.7941 1.0286 1.0420 1.2137 1.2468 6.7815 6.7944 7.0582 7.0670 7.6139 7.6429 7.8252 7.8324 8.1295 8.1298 8.7007 8.7032 9.2722 9.2830 9.3442 9.3547 9.8664 9.8733 13.4052 13.4288 13.6264 13.6343 13.8379 13.8486 15.2839 15.2916 k = 0.2849-0.0008-0.2857 ( 2732 PWs) bands (ev): -45.9669 -45.9669 -22.6976 -22.6961 -22.0564 -22.0544 -22.0324 -22.0313 -14.2716 -14.2715 -6.4506 -6.4438 -5.8144 -5.8056 -5.7285 -5.7237 -0.8113 -0.7928 1.0276 1.0420 1.2123 1.2476 6.7369 6.7490 7.0065 7.0142 7.5519 7.5774 7.8092 7.8158 8.0958 8.0962 8.7053 8.7084 9.2703 9.2838 9.3206 9.3359 9.8819 9.8874 13.4501 13.4734 13.6641 13.6720 13.8839 13.8944 15.2965 15.3042 k = 0.2938-0.0008-0.2946 ( 2728 PWs) bands (ev): -45.9668 -45.9668 -22.6984 -22.6969 -22.0577 -22.0557 -22.0327 -22.0316 -14.2665 -14.2664 -6.4411 -6.4343 -5.8131 -5.8042 -5.7245 -5.7197 -0.8111 -0.7919 1.0259 1.0410 1.2107 1.2478 6.6937 6.7050 6.9557 6.9624 7.4897 7.5123 7.7931 7.8003 8.0628 8.0634 8.7140 8.7177 9.2566 9.2700 9.3129 9.3302 9.8986 9.9030 13.4948 13.5179 13.7008 13.7089 13.9291 13.9393 15.3080 15.3158 k = 0.3027-0.0009-0.3036 ( 2728 PWs) bands (ev): -45.9668 -45.9668 -22.6992 -22.6977 -22.0591 -22.0571 -22.0331 -22.0320 -14.2616 -14.2615 -6.4307 -6.4239 -5.8118 -5.8028 -5.7211 -5.7162 -0.8113 -0.7916 1.0234 1.0390 1.2090 1.2477 6.6518 6.6624 6.9060 6.9117 7.4278 7.4479 7.7773 7.7856 8.0306 8.0315 8.7259 8.7306 9.2349 9.2469 9.3168 9.3338 9.9164 9.9198 13.5392 13.5620 13.7367 13.7448 13.9733 13.9832 15.3185 15.3264 k = 0.3116-0.0009-0.3125 ( 2728 PWs) bands (ev): -45.9667 -45.9667 -22.6999 -22.6985 -22.0604 -22.0584 -22.0334 -22.0323 -14.2568 -14.2567 -6.4196 -6.4127 -5.8105 -5.8015 -5.7182 -5.7134 -0.8119 -0.7917 1.0200 1.0358 1.2076 1.2473 6.6114 6.6213 6.8575 6.8624 7.3666 7.3846 7.7620 7.7714 7.9993 8.0004 8.7404 8.7460 9.2113 9.2233 9.3238 9.3411 9.9350 9.9375 13.5832 13.6056 13.7714 13.7796 14.0164 14.0259 15.3280 15.3360 k = 0.3205-0.0009-0.3214 ( 2730 PWs) bands (ev): -45.9667 -45.9667 -22.7007 -22.6993 -22.0617 -22.0598 -22.0337 -22.0327 -14.2522 -14.2521 -6.4076 -6.4008 -5.8092 -5.8001 -5.7161 -5.7112 -0.8129 -0.7923 1.0158 1.0315 1.2065 1.2468 6.5724 6.5816 6.8105 6.8145 7.3065 7.3225 7.7472 7.7576 7.9689 7.9704 8.7564 8.7631 9.1890 9.2019 9.3318 9.3498 9.9542 9.9562 13.6265 13.6486 13.8050 13.8133 14.0582 14.0675 15.3365 15.3445 k = 0.3294-0.0009-0.3304 ( 2732 PWs) bands (ev): -45.9666 -45.9666 -22.7014 -22.7001 -22.0629 -22.0611 -22.0340 -22.0330 -14.2478 -14.2477 -6.3950 -6.3882 -5.8080 -5.7988 -5.7147 -5.7097 -0.8142 -0.7933 1.0107 1.0259 1.2060 1.2463 6.5349 6.5433 6.7651 6.7682 7.2477 7.2620 7.7331 7.7442 7.9396 7.9413 8.7727 8.7806 9.1697 9.1841 9.3401 9.3591 9.9737 9.9755 13.6690 13.6908 13.8375 13.8458 14.0988 14.1077 15.3440 15.3520 k = 0.3383-0.0010-0.3393 ( 2736 PWs) bands (ev): -45.9666 -45.9666 -22.7022 -22.7008 -22.0641 -22.0623 -22.0344 -22.0334 -14.2435 -14.2434 -6.3816 -6.3748 -5.8067 -5.7976 -5.7140 -5.7090 -0.8157 -0.7948 1.0048 1.0192 1.2061 1.2459 6.4988 6.5066 6.7214 6.7237 7.1905 7.2032 7.7196 7.7312 7.9114 7.9134 8.7880 8.7969 9.1549 9.1709 9.3485 9.3688 9.9935 9.9954 13.7107 13.7320 13.8686 13.8770 14.1380 14.1465 15.3505 15.3586 k = 0.3472-0.0010-0.3482 ( 2728 PWs) bands (ev): -45.9665 -45.9665 -22.7028 -22.7015 -22.0652 -22.0635 -22.0346 -22.0336 -14.2394 -14.2394 -6.3676 -6.3609 -5.8056 -5.7963 -5.7141 -5.7090 -0.8175 -0.7966 0.9982 1.0115 1.2068 1.2457 6.4642 6.4713 6.6796 6.6811 7.1352 7.1464 7.7068 7.7188 7.8844 7.8867 8.8008 8.8104 9.1459 9.1638 9.3570 9.3787 10.0133 10.0156 13.7513 13.7722 13.8984 13.9069 14.1756 14.1837 15.3561 15.3642 k = 0.3561-0.0010-0.3571 ( 2724 PWs) bands (ev): -45.9665 -45.9665 -22.7034 -22.7022 -22.0663 -22.0646 -22.0349 -22.0339 -14.2356 -14.2355 -6.3530 -6.3464 -5.8044 -5.7951 -5.7150 -5.7098 -0.8195 -0.7988 0.9909 1.0030 1.2080 1.2456 6.4311 6.4375 6.6399 6.6406 7.0819 7.0918 7.6947 7.7068 7.8586 7.8611 8.8096 8.8196 9.1439 9.1635 9.3655 9.3887 10.0331 10.0358 13.7907 13.8112 13.9268 13.9354 14.2117 14.2193 15.3609 15.3688 k = 0.3650-0.0010-0.3661 ( 2724 PWs) bands (ev): -45.9664 -45.9664 -22.7040 -22.7029 -22.0673 -22.0657 -22.0351 -22.0342 -14.2319 -14.2319 -6.3380 -6.3314 -5.8034 -5.7940 -5.7166 -5.7114 -0.8217 -0.8013 0.9831 0.9939 1.2098 1.2458 6.3994 6.4052 6.6021 6.6025 7.0309 7.0395 7.6834 7.6955 7.8340 7.8367 8.8138 8.8236 9.1495 9.1705 9.3739 9.3989 10.0527 10.0559 13.8288 13.8487 13.9537 13.9624 14.2460 14.2532 15.3648 15.3726 k = 0.3739-0.0011-0.3750 ( 2724 PWs) bands (ev): -45.9664 -45.9664 -22.7046 -22.7035 -22.0683 -22.0668 -22.0353 -22.0345 -14.2285 -14.2284 -6.3225 -6.3160 -5.8024 -5.7928 -5.7191 -5.7137 -0.8240 -0.8040 0.9750 0.9844 1.2119 1.2461 6.3693 6.3744 6.5662 6.5672 6.9822 6.9898 7.6728 7.6847 7.8107 7.8137 8.8132 8.8222 9.1620 9.1845 9.3822 9.4092 10.0720 10.0755 13.8653 13.8848 13.9791 13.9879 14.2785 14.2852 15.3679 15.3756 k = 0.3828-0.0011-0.3839 ( 2728 PWs) bands (ev): -45.9664 -45.9664 -22.7052 -22.7041 -22.0693 -22.0678 -22.0356 -22.0348 -14.2253 -14.2252 -6.3068 -6.3004 -5.8014 -5.7918 -5.7224 -5.7168 -0.8263 -0.8069 0.9666 0.9747 1.2144 1.2465 6.3407 6.3452 6.5326 6.5343 6.9361 6.9426 7.6631 7.6747 7.7887 7.7919 8.8085 8.8165 9.1801 9.2041 9.3906 9.4197 10.0908 10.0946 13.9002 13.9192 14.0030 14.0119 14.3091 14.3154 15.3703 15.3778 k = 0.3917-0.0011-0.3929 ( 2730 PWs) bands (ev): -45.9663 -45.9663 -22.7057 -22.7047 -22.0702 -22.0688 -22.0358 -22.0350 -14.2223 -14.2222 -6.2908 -6.2846 -5.8006 -5.7908 -5.7264 -5.7206 -0.8286 -0.8100 0.9581 0.9650 1.2172 1.2471 6.3136 6.3175 6.5016 6.5039 6.8928 6.8983 7.6542 7.6653 7.7680 7.7714 8.8007 8.8075 9.2022 9.2279 9.3990 9.4303 10.1090 10.1130 13.9334 13.9518 14.0252 14.0343 14.3377 14.3435 15.3720 15.3793 k = 0.4006-0.0011-0.4018 ( 2734 PWs) bands (ev): -45.9663 -45.9663 -22.7062 -22.7053 -22.0710 -22.0697 -22.0360 -22.0353 -14.2195 -14.2195 -6.2749 -6.2688 -5.7998 -5.7898 -5.7310 -5.7250 -0.8309 -0.8133 0.9498 0.9555 1.2201 1.2478 6.2882 6.2916 6.4732 6.4761 6.8523 6.8569 7.6461 7.6567 7.7487 7.7522 8.7909 8.7966 9.2264 9.2540 9.4077 9.4412 10.1264 10.1306 13.9646 13.9824 14.0459 14.0551 14.3642 14.3696 15.3732 15.3801 k = 0.4095-0.0012-0.4107 ( 2732 PWs) bands (ev): -45.9663 -45.9663 -22.7066 -22.7058 -22.0717 -22.0705 -22.0361 -22.0355 -14.2170 -14.2169 -6.2590 -6.2532 -5.7992 -5.7889 -5.7363 -5.7299 -0.8331 -0.8165 0.9416 0.9464 1.2232 1.2484 6.2644 6.2673 6.4475 6.4508 6.8147 6.8186 7.6390 7.6489 7.7307 7.7343 8.7801 8.7847 9.2513 9.2807 9.4169 9.4523 10.1429 10.1471 13.9937 14.0110 14.0648 14.0743 14.3887 14.3935 15.3738 15.3804 k = 0.4184-0.0012-0.4196 ( 2732 PWs) bands (ev): -45.9662 -45.9662 -22.7070 -22.7062 -22.0724 -22.0713 -22.0363 -22.0357 -14.2146 -14.2146 -6.2434 -6.2379 -5.7986 -5.7880 -5.7420 -5.7352 -0.8352 -0.8198 0.9337 0.9377 1.2262 1.2491 6.2425 6.2450 6.4244 6.4281 6.7802 6.7834 7.6327 7.6420 7.7141 7.7177 8.7689 8.7727 9.2756 9.3066 9.4269 9.4638 10.1583 10.1625 14.0206 14.0373 14.0821 14.0918 14.4109 14.4153 15.3741 15.3803 k = 0.4274-0.0012-0.4286 ( 2728 PWs) bands (ev): -45.9662 -45.9662 -22.7073 -22.7066 -22.0730 -22.0720 -22.0364 -22.0359 -14.2126 -14.2126 -6.2284 -6.2231 -5.7982 -5.7872 -5.7480 -5.7408 -0.8371 -0.8230 0.9264 0.9296 1.2292 1.2497 6.2223 6.2245 6.4041 6.4079 6.7489 6.7515 7.6275 7.6360 7.6988 7.7025 8.7579 8.7609 9.2984 9.3299 9.4381 9.4756 10.1726 10.1766 14.0452 14.0613 14.0977 14.1076 14.4310 14.4349 15.3741 15.3798 k = 0.4363-0.0012-0.4375 ( 2730 PWs) bands (ev): -45.9662 -45.9662 -22.7076 -22.7070 -22.0735 -22.0726 -22.0365 -22.0360 -14.2107 -14.2107 -6.2140 -6.2092 -5.7978 -5.7865 -5.7543 -5.7464 -0.8387 -0.8261 0.9196 0.9222 1.2321 1.2501 6.2042 6.2061 6.3864 6.3902 6.7209 6.7229 7.6232 7.6310 7.6849 7.6886 8.7475 8.7499 9.3188 9.3497 9.4511 9.4874 10.1855 10.1893 14.0673 14.0827 14.1115 14.1217 14.4488 14.4522 15.3738 15.3790 k = 0.4452-0.0013-0.4464 ( 2728 PWs) bands (ev): -45.9662 -45.9662 -22.7079 -22.7074 -22.0739 -22.0732 -22.0366 -22.0362 -14.2091 -14.2091 -6.2006 -6.1962 -5.7976 -5.7859 -5.7604 -5.7520 -0.8401 -0.8290 0.9135 0.9157 1.2349 1.2504 6.1881 6.1898 6.3713 6.3749 6.6963 6.6978 7.6199 7.6269 7.6723 7.6760 8.7380 8.7398 9.3367 9.3651 9.4656 9.4990 10.1971 10.2005 14.0868 14.1015 14.1238 14.1340 14.4643 14.4672 15.3734 15.3780 k = 0.4541-0.0013-0.4554 ( 2724 PWs) bands (ev): -45.9661 -45.9661 -22.7081 -22.7076 -22.0743 -22.0736 -22.0367 -22.0363 -14.2078 -14.2078 -6.1884 -6.1846 -5.7975 -5.7856 -5.7662 -5.7572 -0.8412 -0.8317 0.9082 0.9099 1.2376 1.2506 6.1743 6.1757 6.3587 6.3621 6.6752 6.6764 7.6177 7.6240 7.6610 7.6647 8.7296 8.7310 9.3517 9.3765 9.4808 9.5099 10.2072 10.2102 14.1037 14.1173 14.1345 14.1445 14.4775 14.4799 15.3729 15.3769 k = 0.4630-0.0013-0.4643 ( 2728 PWs) bands (ev): -45.9661 -45.9661 -22.7083 -22.7079 -22.0746 -22.0741 -22.0367 -22.0365 -14.2066 -14.2066 -6.1778 -6.1745 -5.7973 -5.7856 -5.7712 -5.7620 -0.8420 -0.8342 0.9038 0.9051 1.2400 1.2505 6.1628 6.1639 6.3486 6.3515 6.6577 6.6585 7.6165 7.6221 7.6511 7.6547 8.7225 8.7236 9.3641 9.3842 9.4958 9.5196 10.2156 10.2182 14.1177 14.1299 14.1438 14.1532 14.4884 14.4904 15.3725 15.3758 k = 0.4719-0.0014-0.4732 ( 2728 PWs) bands (ev): -45.9661 -45.9661 -22.7084 -22.7081 -22.0748 -22.0744 -22.0368 -22.0366 -14.2058 -14.2058 -6.1689 -6.1663 -5.7971 -5.7866 -5.7747 -5.7661 -0.8424 -0.8364 0.9003 0.9013 1.2422 1.2502 6.1537 6.1545 6.3409 6.3432 6.6439 6.6444 7.6164 7.6215 7.6425 7.6461 8.7168 8.7176 9.3739 9.3892 9.5092 9.5273 10.2224 10.2245 14.1291 14.1390 14.1521 14.1599 14.4970 14.4985 15.3722 15.3747 k = 0.4808-0.0014-0.4821 ( 2728 PWs) bands (ev): -45.9661 -45.9661 -22.7085 -22.7083 -22.0749 -22.0747 -22.0368 -22.0366 -14.2051 -14.2051 -6.1621 -6.1602 -5.7966 -5.7887 -5.7761 -5.7696 -0.8424 -0.8383 0.8977 0.8984 1.2442 1.2497 6.1470 6.1476 6.3354 6.3371 6.6337 6.6341 7.6174 7.6220 7.6351 7.6387 8.7127 8.7132 9.3815 9.3918 9.5203 9.5327 10.2275 10.2289 14.1377 14.1447 14.1590 14.1646 14.5034 14.5044 15.3720 15.3738 k = 0.4897-0.0014-0.4911 ( 2724 PWs) bands (ev): -45.9661 -45.9661 -22.7085 -22.7084 -22.0750 -22.0749 -22.0368 -22.0367 -14.2047 -14.2047 -6.1575 -6.1565 -5.7957 -5.7913 -5.7760 -5.7723 -0.8421 -0.8399 0.8962 0.8965 1.2459 1.2488 6.1429 6.1432 6.3322 6.3331 6.6274 6.6276 7.6196 7.6237 7.6291 7.6327 8.7101 8.7104 9.3870 9.3925 9.5286 9.5352 10.2309 10.2316 14.1436 14.1474 14.1640 14.1671 14.5074 14.5080 15.3721 15.3730 k = 0.4986-0.0014-0.5000 ( 2716 PWs) bands (ev): -45.9661 -45.9661 -22.7084 -22.7084 -22.0750 -22.0749 -22.0367 -22.0367 -14.2046 -14.2046 -6.1554 -6.1553 -5.7942 -5.7936 -5.7749 -5.7744 -0.8414 -0.8411 0.8957 0.8957 1.2474 1.2478 6.1414 6.1414 6.3312 6.3313 6.6250 6.6250 7.6229 7.6242 7.6268 7.6280 8.7092 8.7092 9.3905 9.3913 9.5336 9.5345 10.2324 10.2325 14.1469 14.1475 14.1668 14.1673 14.5092 14.5092 15.3723 15.3724 k = 0.5014 0.4971-0.0029 ( 2716 PWs) bands (ev): -45.9661 -45.9661 -22.7084 -22.7084 -22.0750 -22.0749 -22.0367 -22.0367 -14.2046 -14.2046 -6.1554 -6.1553 -5.7942 -5.7936 -5.7749 -5.7744 -0.8414 -0.8411 0.8957 0.8957 1.2474 1.2478 6.1414 6.1414 6.3312 6.3313 6.6250 6.6250 7.6229 7.6242 7.6268 7.6280 8.7092 8.7092 9.3905 9.3913 9.5336 9.5345 10.2324 10.2325 14.1469 14.1475 14.1668 14.1673 14.5092 14.5092 15.3723 15.3724 k = 0.5000 0.4986-0.0029 ( 2716 PWs) bands (ev): -45.9661 -45.9661 -22.7084 -22.7084 -22.0749 -22.0749 -22.0367 -22.0367 -14.2046 -14.2046 -6.1553 -6.1553 -5.7939 -5.7939 -5.7746 -5.7746 -0.8412 -0.8412 0.8957 0.8957 1.2476 1.2476 6.1413 6.1413 6.3312 6.3312 6.6249 6.6249 7.6235 7.6235 7.6274 7.6274 8.7092 8.7092 9.3909 9.3909 9.5341 9.5341 10.2325 10.2325 14.1472 14.1472 14.1671 14.1671 14.5092 14.5092 15.3724 15.3724 k = 0.5000 0.4986-0.0029 ( 2716 PWs) bands (ev): -45.9661 -45.9661 -22.7084 -22.7084 -22.0749 -22.0749 -22.0367 -22.0367 -14.2046 -14.2046 -6.1553 -6.1553 -5.7939 -5.7939 -5.7746 -5.7746 -0.8412 -0.8412 0.8957 0.8957 1.2476 1.2476 6.1413 6.1413 6.3312 6.3312 6.6249 6.6249 7.6235 7.6235 7.6274 7.6274 8.7092 8.7092 9.3909 9.3909 9.5341 9.5341 10.2325 10.2325 14.1472 14.1472 14.1671 14.1671 14.5092 14.5092 15.3724 15.3724 k = 0.5000 0.4986 0.0096 ( 2718 PWs) bands (ev): -45.9661 -45.9661 -22.7085 -22.7084 -22.0749 -22.0749 -22.0368 -22.0367 -14.2045 -14.2045 -6.1546 -6.1545 -5.7938 -5.7934 -5.7744 -5.7744 -0.8441 -0.8405 0.8945 0.8945 1.2431 1.2479 6.1411 6.1417 6.3338 6.3343 6.6249 6.6249 7.6235 7.6245 7.6285 7.6285 8.7046 8.7050 9.3920 9.3922 9.5346 9.5349 10.2326 10.2326 14.1472 14.1485 14.1675 14.1676 14.5096 14.5096 15.3770 15.3782 k = 0.5001 0.4986 0.0220 ( 2722 PWs) bands (ev): -45.9661 -45.9661 -22.7086 -22.7085 -22.0749 -22.0749 -22.0371 -22.0369 -14.2042 -14.2042 -6.1523 -6.1521 -5.7932 -5.7924 -5.7738 -5.7737 -0.8491 -0.8418 0.8909 0.8909 1.2346 1.2441 6.1409 6.1421 6.3421 6.3431 6.6249 6.6249 7.6244 7.6266 7.6319 7.6320 8.6912 8.6920 9.3952 9.3957 9.5364 9.5371 10.2329 10.2329 14.1482 14.1508 14.1688 14.1690 14.5106 14.5107 15.3919 15.3942 k = 0.5001 0.4987 0.0344 ( 2724 PWs) bands (ev): -45.9661 -45.9661 -22.7088 -22.7085 -22.0749 -22.0749 -22.0374 -22.0371 -14.2037 -14.2037 -6.1486 -6.1482 -5.7920 -5.7909 -5.7726 -5.7726 -0.8560 -0.8452 0.8849 0.8850 1.2221 1.2363 6.1409 6.1426 6.3560 6.3575 6.6249 6.6249 7.6262 7.6295 7.6375 7.6378 8.6695 8.6706 9.4007 9.4015 9.5395 9.5405 10.2334 10.2334 14.1501 14.1542 14.1711 14.1718 14.5124 14.5126 15.4168 15.4202 k = 0.5001 0.4987 0.0469 ( 2724 PWs) bands (ev): -45.9661 -45.9661 -22.7089 -22.7086 -22.0749 -22.0749 -22.0378 -22.0375 -14.2030 -14.2030 -6.1433 -6.1428 -5.7903 -5.7888 -5.7711 -5.7710 -0.8650 -0.8506 0.8767 0.8768 1.2057 1.2245 6.1410 6.1430 6.3754 6.3774 6.6249 6.6249 7.6288 7.6334 7.6453 7.6458 8.6397 8.6410 9.4083 9.4094 9.5440 9.5452 10.2341 10.2341 14.1528 14.1584 14.1749 14.1762 14.5149 14.5151 15.4512 15.4555 k = 0.5002 0.4987 0.0593 ( 2732 PWs) bands (ev): -45.9661 -45.9661 -22.7092 -22.7088 -22.0749 -22.0749 -22.0384 -22.0380 -14.2021 -14.2021 -6.1365 -6.1359 -5.7881 -5.7863 -5.7691 -5.7690 -0.8759 -0.8581 0.8662 0.8664 1.1858 1.2089 6.1411 6.1434 6.4000 6.4025 6.6249 6.6249 7.6322 7.6381 7.6551 7.6557 8.6024 8.6039 9.4180 9.4194 9.5497 9.5511 10.2349 10.2349 14.1563 14.1632 14.1805 14.1823 14.5182 14.5184 15.4946 15.4997 k = 0.5002 0.4988 0.0717 ( 2734 PWs) bands (ev): -45.9660 -45.9660 -22.7094 -22.7090 -22.0749 -22.0748 -22.0391 -22.0385 -14.2010 -14.2010 -6.1283 -6.1276 -5.7854 -5.7832 -5.7667 -5.7666 -0.8886 -0.8675 0.8535 0.8538 1.1624 1.1897 6.1412 6.1436 6.4298 6.4326 6.6249 6.6250 7.6362 7.6434 7.6667 7.6675 8.5582 8.5599 9.4297 9.4315 9.5568 9.5584 10.2360 10.2360 14.1606 14.1684 14.1882 14.1902 14.5221 14.5223 15.5462 15.5519 k = 0.5002 0.4988 0.0841 ( 2740 PWs) bands (ev): -45.9660 -45.9660 -22.7097 -22.7092 -22.0748 -22.0748 -22.0398 -22.0392 -14.1998 -14.1998 -6.1187 -6.1178 -5.7822 -5.7796 -5.7639 -5.7637 -0.9031 -0.8788 0.8388 0.8391 1.1359 1.1671 6.1413 6.1438 6.4644 6.4674 6.6250 6.6251 7.6408 7.6494 7.6799 7.6810 8.5080 8.5097 9.4434 9.4455 9.5653 9.5670 10.2372 10.2373 14.1660 14.1743 14.1978 14.1999 14.5267 14.5269 15.6051 15.6114 k = 0.5003 0.4989 0.0966 ( 2736 PWs) bands (ev): -45.9660 -45.9660 -22.7100 -22.7094 -22.0747 -22.0747 -22.0406 -22.0400 -14.1983 -14.1983 -6.1077 -6.1067 -5.7785 -5.7756 -5.7606 -5.7605 -0.9193 -0.8919 0.8222 0.8225 1.1065 1.1413 6.1414 6.1439 6.5035 6.5064 6.6250 6.6253 7.6456 7.6558 7.6945 7.6958 8.4524 8.4540 9.4590 9.4614 9.5751 9.5769 10.2387 10.2387 14.1725 14.1812 14.2092 14.2112 14.5319 14.5322 15.6705 15.6772 k = 0.5003 0.4989 0.1090 ( 2741 PWs) bands (ev): -45.9660 -45.9660 -22.7103 -22.7097 -22.0747 -22.0747 -22.0416 -22.0408 -14.1968 -14.1968 -6.0954 -6.0943 -5.7744 -5.7711 -5.7570 -5.7569 -0.9370 -0.9068 0.8037 0.8041 1.0746 1.1127 6.1415 6.1439 6.5466 6.5491 6.6251 6.6258 7.6506 7.6623 7.7101 7.7118 8.3923 8.3938 9.4766 9.4793 9.5863 9.5881 10.2402 10.2403 14.1804 14.1891 14.2223 14.2242 14.5378 14.5380 15.7415 15.7484 k = 0.5004 0.4989 0.1214 ( 2738 PWs) bands (ev): -45.9660 -45.9660 -22.7107 -22.7100 -22.0746 -22.0746 -22.0425 -22.0417 -14.1950 -14.1950 -6.0819 -6.0807 -5.7698 -5.7661 -5.7531 -5.7529 -0.9561 -0.9232 0.7835 0.7840 1.0404 1.0815 6.1414 6.1438 6.5934 6.5939 6.6254 6.6277 7.6554 7.6688 7.7264 7.7284 8.3289 8.3301 9.4960 9.4990 9.5990 9.6009 10.2420 10.2420 14.1898 14.1984 14.2369 14.2386 14.5442 14.5445 15.8171 15.8243 k = 0.5004 0.4990 0.1339 ( 2736 PWs) bands (ev): -45.9659 -45.9659 -22.7110 -22.7103 -22.0745 -22.0745 -22.0436 -22.0427 -14.1931 -14.1931 -6.0672 -6.0658 -5.7648 -5.7608 -5.7487 -5.7486 -0.9766 -0.9412 0.7618 0.7624 1.0042 1.0481 6.1413 6.1436 6.6210 6.6245 6.6446 6.6503 7.6597 7.6747 7.7428 7.7453 8.2634 8.2640 9.5173 9.5206 9.6132 9.6151 10.2439 10.2440 14.2006 14.2090 14.2528 14.2544 14.5513 14.5515 15.8965 15.9038 k = 0.5004 0.4990 0.1463 ( 2735 PWs) bands (ev): -45.9659 -45.9659 -22.7115 -22.7107 -22.0745 -22.0744 -22.0447 -22.0438 -14.1911 -14.1911 -6.0514 -6.0499 -5.7594 -5.7551 -5.7441 -5.7439 -0.9982 -0.9606 0.7388 0.7394 0.9665 1.0127 6.1410 6.1432 6.6236 6.6251 6.6973 6.7001 7.6627 7.6793 7.7587 7.7619 8.1972 8.1974 9.5405 9.5440 9.6290 9.6308 10.2459 10.2460 14.2130 14.2211 14.2700 14.2715 14.5588 14.5590 15.9787 15.9860 k = 0.5005 0.4990 0.1587 ( 2736 PWs) bands (ev): -45.9659 -45.9659 -22.7119 -22.7111 -22.0744 -22.0743 -22.0459 -22.0449 -14.1890 -14.1890 -6.0346 -6.0330 -5.7537 -5.7490 -5.7391 -5.7390 -1.0209 -0.9812 0.7145 0.7152 0.9274 0.9756 6.1405 6.1426 6.6242 6.6253 6.7528 6.7540 7.6635 7.6815 7.7733 7.7772 8.1318 8.1332 9.5654 9.5692 9.6463 9.6482 10.2480 10.2482 14.2267 14.2345 14.2884 14.2897 14.5668 14.5669 16.0628 16.0700 k = 0.5005 0.4991 0.1711 ( 2730 PWs) bands (ev): -45.9658 -45.9658 -22.7123 -22.7115 -22.0743 -22.0742 -22.0471 -22.0461 -14.1867 -14.1867 -6.0169 -6.0152 -5.7477 -5.7426 -5.7339 -5.7338 -1.0444 -1.0029 0.6892 0.6899 0.8873 0.9372 6.1399 6.1419 6.6246 6.6255 6.8098 6.8103 7.6605 7.6792 7.7857 7.7900 8.0712 8.0745 9.5921 9.5961 9.6654 9.6672 10.2503 10.2505 14.2419 14.2493 14.3078 14.3090 14.5752 14.5753 16.1477 16.1550 k = 0.5005 0.4991 0.1836 ( 2728 PWs) bands (ev): -45.9658 -45.9658 -22.7128 -22.7119 -22.0742 -22.0741 -22.0484 -22.0473 -14.1844 -14.1844 -5.9984 -5.9966 -5.7414 -5.7360 -5.7283 -5.7283 -1.0687 -1.0257 0.6630 0.6638 0.8465 0.8978 6.1390 6.1409 6.6249 6.6257 6.8668 6.8692 7.6508 7.6687 7.7947 7.7986 8.0201 8.0261 9.6205 9.6246 9.6860 9.6878 10.2527 10.2529 14.2583 14.2654 14.3282 14.3293 14.5840 14.5841 16.2326 16.2398 k = 0.5006 0.4991 0.1960 ( 2728 PWs) bands (ev): -45.9658 -45.9658 -22.7133 -22.7124 -22.0741 -22.0740 -22.0497 -22.0486 -14.1820 -14.1820 -5.9792 -5.9772 -5.7348 -5.7291 -5.7227 -5.7226 -1.0935 -1.0492 0.6361 0.6370 0.8053 0.8575 6.1378 6.1396 6.6252 6.6259 6.9245 6.9290 7.6303 7.6454 7.8005 7.8017 7.9846 7.9930 9.6504 9.6546 9.7084 9.7102 10.2551 10.2554 14.2759 14.2826 14.3494 14.3504 14.5932 14.5932 16.3164 16.3237 k = 0.5006 0.4992 0.2084 ( 2732 PWs) bands (ev): -45.9657 -45.9657 -22.7138 -22.7129 -22.0740 -22.0740 -22.0511 -22.0499 -14.1795 -14.1795 -5.9594 -5.9573 -5.7281 -5.7220 -5.7168 -5.7166 -1.1187 -1.0735 0.6087 0.6097 0.7640 0.8168 6.1363 6.1380 6.6255 6.6261 6.9824 6.9894 7.5955 7.6064 7.8004 7.8047 7.9672 7.9768 9.6818 9.6860 9.7324 9.7341 10.2576 10.2580 14.2947 14.3008 14.3714 14.3723 14.6026 14.6026 16.3980 16.4055 k = 0.5006 0.4992 0.2209 ( 2728 PWs) bands (ev): -45.9657 -45.9657 -22.7142 -22.7133 -22.0739 -22.0738 -22.0524 -22.0512 -14.1769 -14.1769 -5.9391 -5.9368 -5.7213 -5.7148 -5.7108 -5.7104 -1.1442 -1.0982 0.5809 0.5820 0.7227 0.7759 6.1344 6.1360 6.6258 6.6264 7.0399 7.0496 7.5465 7.5536 7.7986 7.8097 7.9645 7.9739 9.7144 9.7186 9.7579 9.7597 10.2602 10.2607 14.3143 14.3200 14.3940 14.3949 14.6122 14.6123 16.4766 16.4842 k = 0.5007 0.4992 0.2333 ( 2728 PWs) bands (ev): -45.9656 -45.9656 -22.7148 -22.7138 -22.0738 -22.0737 -22.0538 -22.0526 -14.1743 -14.1743 -5.9184 -5.9160 -5.7143 -5.7074 -5.7046 -5.7041 -1.1699 -1.1234 0.5529 0.5542 0.6819 0.7350 6.1321 6.1335 6.6261 6.6267 7.0963 7.1090 7.4872 7.4919 7.7992 7.8164 7.9702 7.9789 9.7482 9.7524 9.7850 9.7868 10.2628 10.2634 14.3347 14.3401 14.4171 14.4180 14.6220 14.6222 16.5511 16.5590 k = 0.5007 0.4993 0.2457 ( 2730 PWs) bands (ev): -45.9656 -45.9656 -22.7153 -22.7143 -22.0737 -22.0736 -22.0552 -22.0540 -14.1717 -14.1717 -5.8975 -5.8950 -5.7074 -5.7002 -5.6981 -5.6976 -1.1954 -1.1488 0.5249 0.5263 0.6416 0.6943 6.1292 6.1306 6.6265 6.6270 7.1507 7.1669 7.4225 7.4257 7.8024 7.8250 7.9803 7.9882 9.7830 9.7871 9.8134 9.8153 10.2654 10.2661 14.3558 14.3607 14.4407 14.4414 14.6319 14.6322 16.6203 16.6288 k = 0.5007 0.4993 0.2581 ( 2730 PWs) bands (ev): -45.9656 -45.9656 -22.7158 -22.7148 -22.0736 -22.0735 -22.0565 -22.0553 -14.1691 -14.1691 -5.8764 -5.8738 -5.7005 -5.6933 -5.6913 -5.6909 -1.2207 -1.1742 0.4971 0.4987 0.6022 0.6542 6.1257 6.1270 6.6268 6.6273 7.2011 7.2210 7.3573 7.3598 7.8079 7.8352 7.9922 7.9994 9.8185 9.8224 9.8431 9.8450 10.2681 10.2688 14.3774 14.3819 14.4645 14.4652 14.6419 14.6422 16.6835 16.6928 k = 0.5008 0.4994 0.2706 ( 2732 PWs) bands (ev): -45.9655 -45.9655 -22.7163 -22.7154 -22.0736 -22.0735 -22.0579 -22.0567 -14.1665 -14.1665 -5.8554 -5.8526 -5.6936 -5.6867 -5.6841 -5.6840 -1.2457 -1.1996 0.4696 0.4713 0.5637 0.6147 6.1215 6.1227 6.6272 6.6277 7.2342 7.2521 7.3087 7.3122 7.8154 7.8468 8.0047 8.0114 9.8544 9.8583 9.8739 9.8759 10.2707 10.2716 14.3993 14.4034 14.4885 14.4891 14.6520 14.6523 16.7399 16.7501 k = 0.5008 0.4994 0.2830 ( 2742 PWs) bands (ev): -45.9655 -45.9655 -22.7168 -22.7159 -22.0735 -22.0734 -22.0593 -22.0581 -14.1640 -14.1640 -5.8345 -5.8315 -5.6870 -5.6804 -5.6773 -5.6767 -1.2702 -1.2247 0.4426 0.4445 0.5265 0.5762 6.1166 6.1177 6.6275 6.6280 7.2009 7.2058 7.3225 7.3429 7.8248 7.8598 8.0171 8.0235 9.8906 9.8943 9.9056 9.9077 10.2733 10.2744 14.4214 14.4251 14.5125 14.5131 14.6620 14.6624 16.7888 16.8003 k = 0.5009 0.4994 0.2954 ( 2736 PWs) bands (ev): -45.9654 -45.9654 -22.7173 -22.7164 -22.0734 -22.0733 -22.0605 -22.0594 -14.1615 -14.1614 -5.8140 -5.8107 -5.6805 -5.6741 -5.6704 -5.6694 -1.2940 -1.2495 0.4162 0.4183 0.4906 0.5387 6.1109 6.1118 6.6279 6.6284 7.1401 7.1426 7.3628 7.3890 7.8360 7.8742 8.0291 8.0352 9.9267 9.9301 9.9381 9.9402 10.2759 10.2771 14.4434 14.4469 14.5363 14.5369 14.6720 14.6725 16.8301 16.8431 k = 0.5009 0.4995 0.3079 ( 2734 PWs) bands (ev): -45.9654 -45.9654 -22.7178 -22.7169 -22.0733 -22.0732 -22.0617 -22.0606 -14.1590 -14.1590 -5.7938 -5.7904 -5.6742 -5.6680 -5.6635 -5.6622 -1.3170 -1.2737 0.3905 0.3928 0.4563 0.5025 6.1042 6.1051 6.6283 6.6287 7.0783 7.0802 7.4035 7.4332 7.8493 7.8899 8.0404 8.0463 9.9623 9.9653 9.9713 9.9734 10.2784 10.2798 14.4653 14.4684 14.5600 14.5605 14.6819 14.6824 16.8640 16.8786 k = 0.5009 0.4995 0.3203 ( 2740 PWs) bands (ev): -45.9654 -45.9654 -22.7183 -22.7174 -22.0733 -22.0732 -22.0630 -22.0619 -14.1566 -14.1566 -5.7742 -5.7705 -5.6681 -5.6620 -5.6567 -5.6551 -1.3391 -1.2973 0.3658 0.3683 0.4236 0.4677 6.0966 6.0974 6.6287 6.6291 7.0189 7.0205 7.4412 7.4736 7.8647 7.9069 8.0509 8.0566 9.9971 9.9993 10.0052 10.0068 10.2809 10.2824 14.4869 14.4897 14.5832 14.5838 14.6916 14.6922 16.8908 16.9072 k = 0.5010 0.4995 0.3327 ( 2738 PWs) bands (ev): -45.9653 -45.9653 -22.7187 -22.7179 -22.0732 -22.0731 -22.0641 -22.0631 -14.1543 -14.1543 -5.7554 -5.7514 -5.6623 -5.6561 -5.6500 -5.6484 -1.3602 -1.3200 0.3422 0.3449 0.3927 0.4345 6.0881 6.0887 6.6290 6.6294 6.9631 6.9645 7.4754 7.5093 7.8824 7.9252 8.0605 8.0662 10.0309 10.0321 10.0392 10.0403 10.2833 10.2850 14.5078 14.5104 14.6059 14.6064 14.7012 14.7017 16.9114 16.9296 k = 0.5010 0.4996 0.3452 ( 2742 PWs) bands (ev): -45.9653 -45.9653 -22.7192 -22.7184 -22.0732 -22.0730 -22.0652 -22.0642 -14.1521 -14.1521 -5.7374 -5.7331 -5.6567 -5.6504 -5.6435 -5.6419 -1.3800 -1.3419 0.3198 0.3227 0.3638 0.4029 6.0786 6.0791 6.6294 6.6297 6.9114 6.9127 7.5056 7.5401 7.9022 7.9446 8.0692 8.0749 10.0635 10.0640 10.0725 10.0734 10.2855 10.2875 14.5281 14.5304 14.6279 14.6284 14.7105 14.7111 16.9266 16.9467 k = 0.5010 0.4996 0.3576 ( 2750 PWs) bands (ev): -45.9653 -45.9653 -22.7196 -22.7189 -22.0732 -22.0730 -22.0663 -22.0653 -14.1500 -14.1500 -5.7204 -5.7157 -5.6514 -5.6448 -5.6372 -5.6357 -1.3986 -1.3626 0.2987 0.3018 0.3368 0.3732 6.0682 6.0687 6.6297 6.6301 6.8641 6.8653 7.5320 7.5659 7.9239 7.9646 8.0771 8.0828 10.0947 10.0948 10.1047 10.1055 10.2877 10.2899 14.5475 14.5495 14.6491 14.6496 14.7196 14.7202 16.9375 16.9593 k = 0.5011 0.4996 0.3700 ( 2746 PWs) bands (ev): -45.9653 -45.9653 -22.7199 -22.7193 -22.0731 -22.0730 -22.0672 -22.0663 -14.1480 -14.1480 -5.7046 -5.6995 -5.6464 -5.6394 -5.6313 -5.6299 -1.4158 -1.3822 0.2790 0.2823 0.3120 0.3454 6.0571 6.0575 6.6301 6.6304 6.8215 6.8225 7.5548 7.5872 7.9468 7.9848 8.0841 8.0899 10.1240 10.1247 10.1354 10.1362 10.2897 10.2922 14.5657 14.5676 14.6692 14.6697 14.7284 14.7290 16.9450 16.9684 k = 0.5011 0.4997 0.3824 ( 2750 PWs) bands (ev): -45.9652 -45.9652 -22.7203 -22.7197 -22.0731 -22.0730 -22.0680 -22.0672 -14.1462 -14.1462 -5.6901 -5.6845 -5.6416 -5.6341 -5.6257 -5.6245 -1.4315 -1.4006 0.2610 0.2643 0.2893 0.3196 6.0455 6.0458 6.6304 6.6307 6.7836 6.7845 7.5741 7.6043 7.9704 8.0049 8.0902 8.0963 10.1517 10.1528 10.1642 10.1651 10.2916 10.2945 14.5827 14.5844 14.6882 14.6887 14.7368 14.7374 16.9501 16.9748 k = 0.5011 0.4997 0.3949 ( 2752 PWs) bands (ev): -45.9652 -45.9652 -22.7206 -22.7200 -22.0731 -22.0730 -22.0688 -22.0680 -14.1446 -14.1446 -5.6771 -5.6710 -5.6369 -5.6290 -5.6205 -5.6195 -1.4457 -1.4175 0.2446 0.2480 0.2689 0.2960 6.0337 6.0339 6.6307 6.6309 6.7504 6.7511 7.5904 7.6178 7.9938 8.0241 8.0956 8.1021 10.1775 10.1790 10.1908 10.1919 10.2934 10.2967 14.5983 14.5998 14.7059 14.7063 14.7449 14.7454 16.9536 16.9792 k = 0.5012 0.4997 0.4073 ( 2750 PWs) bands (ev): -45.9652 -45.9652 -22.7209 -22.7204 -22.0732 -22.0730 -22.0694 -22.0687 -14.1431 -14.1431 -5.6658 -5.6593 -5.6324 -5.6241 -5.6157 -5.6150 -1.4582 -1.4330 0.2300 0.2333 0.2507 0.2745 6.0219 6.0221 6.6310 6.6312 6.7217 6.7224 7.6041 7.6284 8.0164 8.0420 8.1003 8.1072 10.2010 10.2029 10.2151 10.2164 10.2950 10.2988 14.6124 14.6137 14.7220 14.7223 14.7525 14.7529 16.9563 16.9821 k = 0.5012 0.4998 0.4197 ( 2753 PWs) bands (ev): -45.9652 -45.9652 -22.7211 -22.7207 -22.0732 -22.0731 -22.0699 -22.0693 -14.1418 -14.1417 -5.6561 -5.6495 -5.6278 -5.6193 -5.6113 -5.6109 -1.4689 -1.4469 0.2174 0.2205 0.2348 0.2554 6.0106 6.0107 6.6312 6.6314 6.6975 6.6980 7.6154 7.6364 8.0374 8.0581 8.1043 8.1118 10.2220 10.2243 10.2366 10.2382 10.2966 10.3009 14.6247 14.6259 14.7364 14.7367 14.7595 14.7599 16.9587 16.9840 k = 0.5012 0.4998 0.4322 ( 2762 PWs) bands (ev): -45.9652 -45.9652 -22.7214 -22.7210 -22.0733 -22.0733 -22.0704 -22.0698 -14.1406 -14.1406 -5.6483 -5.6420 -5.6230 -5.6149 -5.6074 -5.6073 -1.4779 -1.4591 0.2068 0.2095 0.2212 0.2386 6.0001 6.0002 6.6314 6.6315 6.6774 6.6778 7.6248 7.6424 8.0563 8.0719 8.1078 8.1159 10.2401 10.2429 10.2552 10.2570 10.2982 10.3031 14.6354 14.6363 14.7490 14.7492 14.7659 14.7663 16.9614 16.9849 k = 0.5013 0.4998 0.4446 ( 2770 PWs) bands (ev): -45.9651 -45.9651 -22.7216 -22.7213 -22.0735 -22.0734 -22.0707 -22.0703 -14.1397 -14.1397 -5.6421 -5.6367 -5.6180 -5.6110 -5.6041 -5.6040 -1.4851 -1.4697 0.1983 0.2005 0.2099 0.2242 5.9908 5.9908 6.6316 6.6317 6.6613 6.6616 7.6324 7.6467 8.0726 8.0831 8.1109 8.1195 10.2551 10.2583 10.2706 10.2726 10.3000 10.3055 14.6442 14.6449 14.7594 14.7595 14.7717 14.7719 16.9647 16.9845 k = 0.5013 0.4999 0.4570 ( 2784 PWs) bands (ev): -45.9651 -45.9651 -22.7218 -22.7215 -22.0736 -22.0736 -22.0709 -22.0706 -14.1389 -14.1389 -5.6374 -5.6333 -5.6135 -5.6080 -5.6013 -5.6011 -1.4904 -1.4784 0.1918 0.1934 0.2011 0.2123 5.9831 5.9831 6.6317 6.6318 6.6488 6.6491 7.6385 7.6494 8.0858 8.0916 8.1137 8.1225 10.2668 10.2703 10.2826 10.2844 10.3025 10.3080 14.6511 14.6517 14.7675 14.7675 14.7767 14.7768 16.9685 16.9823 k = 0.5014 0.4999 0.4694 ( 2800 PWs) bands (ev): -45.9651 -45.9651 -22.7219 -22.7217 -22.0738 -22.0738 -22.0711 -22.0709 -14.1383 -14.1383 -5.6341 -5.6312 -5.6098 -5.6059 -5.5989 -5.5988 -1.4938 -1.4854 0.1875 0.1883 0.1947 0.2029 5.9772 5.9772 6.6318 6.6319 6.6399 6.6401 7.6432 7.6509 8.0952 8.0976 8.1167 8.1246 10.2752 10.2785 10.2911 10.2921 10.3060 10.3104 14.6563 14.6567 14.7732 14.7732 14.7808 14.7808 16.9721 16.9785 k = 0.5014 0.5000 0.4819 ( 2800 PWs) bands (ev): -45.9651 -45.9651 -22.7220 -22.7218 -22.0739 -22.0739 -22.0711 -22.0710 -14.1380 -14.1380 -5.6319 -5.6303 -5.6071 -5.6050 -5.5973 -5.5973 -1.4953 -1.4905 0.1850 0.1852 0.1912 0.1962 5.9733 5.9733 6.6318 6.6319 6.6344 6.6345 7.6468 7.6512 8.1008 8.1013 8.1198 8.1252 10.2806 10.2829 10.2962 10.2964 10.3098 10.3124 14.6596 14.6598 14.7766 14.7766 14.7837 14.7837 16.9735 16.9746 k = 0.5014 0.5000 0.4943 ( 2800 PWs) bands (ev): -45.9651 -45.9651 -22.7219 -22.7219 -22.0739 -22.0739 -22.0711 -22.0711 -14.1378 -14.1378 -5.6306 -5.6302 -5.6056 -5.6050 -5.5965 -5.5965 -1.4949 -1.4937 0.1839 0.1839 0.1908 0.1921 5.9717 5.9717 6.6315 6.6315 6.6324 6.6324 7.6492 7.6503 8.1030 8.1030 8.1226 8.1241 10.2833 10.2839 10.2982 10.2982 10.3122 10.3129 14.6610 14.6611 14.7779 14.7779 14.7850 14.7850 16.9730 16.9731 k = 0.5014 0.5000 0.4943 ( 2800 PWs) bands (ev): -45.9651 -45.9651 -22.7219 -22.7219 -22.0739 -22.0739 -22.0711 -22.0711 -14.1378 -14.1378 -5.6306 -5.6302 -5.6056 -5.6050 -5.5965 -5.5965 -1.4949 -1.4937 0.1839 0.1839 0.1908 0.1921 5.9717 5.9717 6.6315 6.6315 6.6324 6.6324 7.6492 7.6503 8.1030 8.1030 8.1226 8.1241 10.2833 10.2839 10.2982 10.2982 10.3122 10.3129 14.6610 14.6611 14.7779 14.7779 14.7850 14.7850 16.9729 16.9730 k = 0.5000 0.4986 0.4971 ( 2800 PWs) bands (ev): -45.9651 -45.9651 -22.7219 -22.7219 -22.0739 -22.0739 -22.0711 -22.0711 -14.1378 -14.1378 -5.6304 -5.6304 -5.6053 -5.6053 -5.5965 -5.5965 -1.4944 -1.4944 0.1838 0.1838 0.1913 0.1913 5.9716 5.9716 6.6315 6.6315 6.6323 6.6323 7.6498 7.6498 8.1031 8.1031 8.1234 8.1234 10.2837 10.2837 10.2983 10.2983 10.3127 10.3127 14.6611 14.6611 14.7780 14.7780 14.7851 14.7851 16.9729 16.9729 k = 0.5000-0.0014-0.0014 ( 2750 PWs) bands (ev): -45.9671 -45.9671 -22.6946 -22.6946 -22.0586 -22.0586 -22.0213 -22.0213 -14.2806 -14.2806 -6.7383 -6.7383 -5.8025 -5.8025 -5.5452 -5.5452 -0.7271 -0.7271 1.1661 1.1661 1.3234 1.3234 6.4176 6.4176 7.6335 7.6335 7.6494 7.6494 8.2163 8.2163 8.2783 8.2783 8.5953 8.5953 8.7094 8.7094 9.4018 9.4018 9.5184 9.5184 12.8056 12.8056 14.0865 14.0865 14.1739 14.1739 14.7405 14.7405 k = 0.5001 0.0075 0.0075 ( 2754 PWs) bands (ev): -45.9671 -45.9671 -22.6946 -22.6946 -22.0587 -22.0586 -22.0213 -22.0213 -14.2805 -14.2805 -6.7376 -6.7375 -5.8023 -5.8023 -5.5456 -5.5456 -0.7273 -0.7271 1.1660 1.1660 1.3228 1.3228 6.4171 6.4177 7.6332 7.6339 7.6485 7.6493 8.2053 8.2087 8.2731 8.2736 8.6011 8.6016 8.7177 8.7181 9.3986 9.3993 9.5168 9.5169 12.8078 12.8079 14.0863 14.0867 14.1732 14.1743 14.7435 14.7443 k = 0.5001 0.0164 0.0163 ( 2752 PWs) bands (ev): -45.9671 -45.9671 -22.6947 -22.6946 -22.0587 -22.0586 -22.0214 -22.0214 -14.2802 -14.2802 -6.7353 -6.7352 -5.8019 -5.8019 -5.5467 -5.5466 -0.7280 -0.7276 1.1656 1.1656 1.3210 1.3210 6.4159 6.4171 7.6329 7.6347 7.6470 7.6483 8.1772 8.1836 8.2595 8.2605 8.6182 8.6189 8.7412 8.7419 9.3897 9.3912 9.5121 9.5123 12.8145 12.8146 14.0862 14.0870 14.1722 14.1742 14.7532 14.7549 k = 0.5002 0.0253 0.0252 ( 2750 PWs) bands (ev): -45.9671 -45.9671 -22.6948 -22.6947 -22.0588 -22.0586 -22.0216 -22.0216 -14.2796 -14.2796 -6.7316 -6.7314 -5.8012 -5.8012 -5.5486 -5.5483 -0.7290 -0.7284 1.1649 1.1650 1.3179 1.3180 6.4142 6.4160 7.6321 7.6354 7.6452 7.6466 8.1358 8.1448 8.2406 8.2418 8.6441 8.6447 8.7759 8.7768 9.3752 9.3775 9.5045 9.5048 12.8256 12.8257 14.0861 14.0872 14.1710 14.1739 14.7695 14.7720 k = 0.5002 0.0342 0.0341 ( 2752 PWs) bands (ev): -45.9671 -45.9671 -22.6950 -22.6948 -22.0589 -22.0587 -22.0219 -22.0219 -14.2788 -14.2788 -6.7263 -6.7261 -5.8002 -5.8002 -5.5511 -5.5508 -0.7305 -0.7295 1.1638 1.1639 1.3137 1.3139 6.4120 6.4143 7.6294 7.6355 7.6442 7.6446 8.0853 8.0964 8.2187 8.2200 8.6764 8.6769 8.8177 8.8185 9.3554 9.3583 9.4942 9.4945 12.8410 12.8411 14.0861 14.0876 14.1696 14.1734 14.7924 14.7955 k = 0.5003 0.0431 0.0430 ( 2754 PWs) bands (ev): -45.9671 -45.9671 -22.6952 -22.6950 -22.0590 -22.0588 -22.0223 -22.0223 -14.2777 -14.2777 -6.7196 -6.7193 -5.7989 -5.7989 -5.5542 -5.5539 -0.7324 -0.7312 1.1622 1.1623 1.3085 1.3089 6.4092 6.4121 7.6240 7.6329 7.6440 7.6443 8.0292 8.0424 8.1953 8.1965 8.7134 8.7137 8.8635 8.8640 9.3302 9.3340 9.4813 9.4816 12.8605 12.8607 14.0863 14.0882 14.1683 14.1727 14.8214 14.8251 k = 0.5003 0.0520 0.0518 ( 2755 PWs) bands (ev): -45.9671 -45.9671 -22.6955 -22.6952 -22.0592 -22.0589 -22.0227 -22.0227 -14.2765 -14.2765 -6.7114 -6.7111 -5.7974 -5.7974 -5.5580 -5.5576 -0.7348 -0.7332 1.1598 1.1599 1.3024 1.3031 6.4061 6.4094 7.6157 7.6270 7.6451 7.6454 7.9701 7.9854 8.1714 8.1725 8.7539 8.7540 8.9113 8.9113 9.3001 9.3046 9.4662 9.4666 12.8840 12.8842 14.0867 14.0889 14.1671 14.1721 14.8564 14.8605 k = 0.5004 0.0609 0.0607 ( 2747 PWs) bands (ev): -45.9670 -45.9670 -22.6957 -22.6954 -22.0594 -22.0589 -22.0232 -22.0232 -14.2750 -14.2750 -6.7017 -6.7013 -5.7955 -5.7955 -5.5623 -5.5618 -0.7378 -0.7358 1.1563 1.1566 1.2956 1.2967 6.4025 6.4064 7.6044 7.6182 7.6468 7.6469 7.9101 7.9278 8.1477 8.1487 8.7968 8.7970 8.9590 8.9596 9.2653 9.2706 9.4493 9.4496 12.9112 12.9116 14.0875 14.0900 14.1661 14.1716 14.8970 14.9015 k = 0.5004 0.0698 0.0696 ( 2751 PWs) bands (ev): -45.9670 -45.9670 -22.6961 -22.6957 -22.0596 -22.0591 -22.0238 -22.0238 -14.2733 -14.2733 -6.6906 -6.6902 -5.7934 -5.7934 -5.5672 -5.5667 -0.7414 -0.7390 1.1516 1.1522 1.2883 1.2899 6.3986 6.4029 7.5892 7.6058 7.6483 7.6484 7.8513 7.8716 8.1248 8.1256 8.8417 8.8420 9.0060 9.0077 9.2262 9.2326 9.4310 9.4313 12.9420 12.9424 14.0887 14.0914 14.1655 14.1714 14.9429 14.9477 k = 0.5005 0.0787 0.0785 ( 2750 PWs) bands (ev): -45.9670 -45.9670 -22.6965 -22.6960 -22.0598 -22.0593 -22.0245 -22.0244 -14.2714 -14.2714 -6.6781 -6.6776 -5.7911 -5.7911 -5.5726 -5.5719 -0.7457 -0.7428 1.1454 1.1462 1.2806 1.2831 6.3944 6.3991 7.5691 7.5883 7.6493 7.6498 7.7962 7.8189 8.1029 8.1035 8.8880 8.8886 9.0510 9.0546 9.1835 9.1918 9.4118 9.4119 12.9761 12.9766 14.0904 14.0934 14.1654 14.1716 14.9938 14.9988 k = 0.5005 0.0876 0.0873 ( 2752 PWs) bands (ev): -45.9670 -45.9670 -22.6969 -22.6964 -22.0600 -22.0595 -22.0252 -22.0252 -14.2693 -14.2693 -6.6642 -6.6636 -5.7885 -5.7885 -5.5783 -5.5776 -0.7508 -0.7473 1.1373 1.1385 1.2729 1.2763 6.3900 6.3951 7.5427 7.5636 7.6497 7.6505 7.7478 7.7720 8.0823 8.0827 8.9353 8.9362 9.0877 9.0966 9.1409 9.1546 9.3921 9.3921 13.0133 13.0138 14.0927 14.0959 14.1659 14.1723 15.0493 15.0544 k = 0.5006 0.0965 0.0962 ( 2749 PWs) bands (ev): -45.9669 -45.9669 -22.6973 -22.6967 -22.0603 -22.0596 -22.0260 -22.0260 -14.2670 -14.2670 -6.6489 -6.6483 -5.7856 -5.7856 -5.5844 -5.5837 -0.7567 -0.7525 1.1271 1.1289 1.2651 1.2697 6.3854 6.3909 7.5089 7.5296 7.6492 7.6503 7.7088 7.7325 8.0632 8.0633 8.9830 8.9844 9.0779 9.0800 9.1525 9.1595 9.3724 9.3727 13.0532 13.0538 14.0957 14.0991 14.1671 14.1736 15.1091 15.1142 k = 0.5006 0.1054 0.1051 ( 2746 PWs) bands (ev): -45.9669 -45.9669 -22.6977 -22.6971 -22.0605 -22.0599 -22.0269 -22.0268 -14.2646 -14.2645 -6.6323 -6.6316 -5.7825 -5.7825 -5.5908 -5.5900 -0.7634 -0.7586 1.1148 1.1172 1.2574 1.2634 6.3808 6.3865 7.4684 7.4868 7.6472 7.6487 7.6793 7.7005 8.0454 8.0455 9.0198 9.0244 9.0373 9.0425 9.1944 9.1967 9.3536 9.3543 13.0957 13.0963 14.0995 14.1030 14.1690 14.1756 15.1728 15.1780 k = 0.5007 0.1143 0.1140 ( 2744 PWs) bands (ev): -45.9669 -45.9669 -22.6982 -22.6976 -22.0608 -22.0601 -22.0278 -22.0277 -14.2619 -14.2619 -6.6144 -6.6136 -5.7792 -5.7792 -5.5974 -5.5966 -0.7711 -0.7655 1.1002 1.1033 1.2496 1.2571 6.3762 6.3820 7.4229 7.4380 7.6431 7.6450 7.6576 7.6752 8.0291 8.0294 8.9723 8.9740 9.0824 9.0824 9.2364 9.2365 9.3365 9.3379 13.1404 13.1411 14.1040 14.1077 14.1717 14.1783 15.2401 15.2453 k = 0.5007 0.1232 0.1229 ( 2744 PWs) bands (ev): -45.9668 -45.9668 -22.6988 -22.6981 -22.0611 -22.0603 -22.0288 -22.0287 -14.2591 -14.2591 -6.5953 -6.5944 -5.7756 -5.7756 -5.6041 -5.6033 -0.7797 -0.7733 1.0836 1.0872 1.2417 1.2509 6.3716 6.3775 7.3748 7.3866 7.6351 7.6356 7.6446 7.6559 8.0142 8.0148 8.9145 8.9173 9.1291 9.1296 9.2743 9.2767 9.3229 9.3261 13.1871 13.1879 14.1095 14.1133 14.1753 14.1819 15.3107 15.3158 k = 0.5008 0.1321 0.1317 ( 2748 PWs) bands (ev): -45.9668 -45.9668 -22.6993 -22.6986 -22.0614 -22.0606 -22.0298 -22.0298 -14.2561 -14.2561 -6.5749 -6.5740 -5.7719 -5.7718 -5.6109 -5.6100 -0.7894 -0.7821 1.0650 1.0693 1.2334 1.2443 6.3672 6.3730 7.3261 7.3349 7.6202 7.6228 7.6369 7.6423 8.0007 8.0015 8.8548 8.8581 9.1730 9.1740 9.3003 9.3064 9.3237 9.3302 13.2355 13.2363 14.1159 14.1197 14.1799 14.1865 15.3842 15.3893 k = 0.5008 0.1410 0.1406 ( 2744 PWs) bands (ev): -45.9667 -45.9667 -22.6999 -22.6991 -22.0617 -22.0609 -22.0309 -22.0309 -14.2530 -14.2529 -6.5534 -6.5524 -5.7679 -5.7679 -5.6177 -5.6168 -0.8001 -0.7918 1.0446 1.0494 1.2245 1.2372 6.3629 6.3686 7.2784 7.2846 7.6052 7.6067 7.6281 7.6313 7.9884 7.9895 8.7940 8.7975 9.2090 9.2104 9.3094 9.3116 9.3580 9.3605 13.2854 13.2863 14.1233 14.1272 14.1854 14.1920 15.4603 15.4653 k = 0.5009 0.1499 0.1495 ( 2746 PWs) bands (ev): -45.9667 -45.9667 -22.7005 -22.6997 -22.0621 -22.0612 -22.0321 -22.0320 -14.2497 -14.2497 -6.5308 -6.5297 -5.7638 -5.7637 -5.6245 -5.6235 -0.8118 -0.8026 1.0226 1.0280 1.2145 1.2291 6.3587 6.3642 7.2330 7.2367 7.5893 7.5902 7.6171 7.6197 7.9773 7.9786 8.7325 8.7361 9.2298 9.2314 9.3303 9.3312 9.3947 9.3957 13.3365 13.3374 14.1317 14.1356 14.1920 14.1985 15.5386 15.5436 k = 0.5009 0.1588 0.1584 ( 2746 PWs) bands (ev): -45.9666 -45.9666 -22.7011 -22.7003 -22.0624 -22.0615 -22.0333 -22.0332 -14.2463 -14.2463 -6.5071 -6.5059 -5.7594 -5.7593 -5.6311 -5.6300 -0.8246 -0.8143 0.9991 1.0050 1.2034 1.2199 6.3548 6.3600 7.1905 7.1920 7.5713 7.5749 7.6039 7.6063 7.9672 7.9687 8.6709 8.6744 9.2373 9.2387 9.3663 9.3670 9.4306 9.4309 13.3886 13.3896 14.1411 14.1450 14.1997 14.2060 15.6189 15.6238 k = 0.5010 0.1677 0.1672 ( 2748 PWs) bands (ev): -45.9666 -45.9666 -22.7018 -22.7010 -22.0628 -22.0618 -22.0345 -22.0345 -14.2428 -14.2428 -6.4824 -6.4811 -5.7549 -5.7548 -5.6375 -5.6364 -0.8385 -0.8271 0.9744 0.9808 1.1908 1.2093 6.3511 6.3558 7.1511 7.1518 7.5525 7.5590 7.5882 7.5906 7.9578 7.9595 8.6097 8.6130 9.2404 9.2415 9.4092 9.4100 9.4653 9.4655 13.4414 13.4425 14.1515 14.1555 14.2084 14.2147 15.7009 15.7057 k = 0.5010 0.1766 0.1761 ( 2746 PWs) bands (ev): -45.9665 -45.9665 -22.7025 -22.7016 -22.0631 -22.0622 -22.0358 -22.0358 -14.2392 -14.2391 -6.4567 -6.4553 -5.7503 -5.7502 -5.6436 -5.6425 -0.8535 -0.8409 0.9485 0.9554 1.1765 1.1969 6.3476 6.3517 7.1143 7.1172 7.5327 7.5421 7.5699 7.5727 7.9491 7.9509 8.5495 8.5526 9.2442 9.2451 9.4542 9.4552 9.4991 9.4997 13.4948 13.4959 14.1630 14.1669 14.2183 14.2245 15.7841 15.7888 k = 0.5011 0.1855 0.1850 ( 2746 PWs) bands (ev): -45.9665 -45.9665 -22.7032 -22.7023 -22.0635 -22.0625 -22.0371 -22.0371 -14.2354 -14.2354 -6.4302 -6.4287 -5.7455 -5.7453 -5.6494 -5.6483 -0.8695 -0.8557 0.9217 0.9290 1.1604 1.1828 6.3442 6.3476 7.0820 7.0873 7.5116 7.5240 7.5492 7.5523 7.9409 7.9428 8.4908 8.4938 9.2506 9.2513 9.4991 9.5003 9.5327 9.5333 13.5484 13.5496 14.1754 14.1794 14.2294 14.2354 15.8684 15.8730 k = 0.5011 0.1944 0.1939 ( 2742 PWs) bands (ev): -45.9664 -45.9664 -22.7039 -22.7030 -22.0639 -22.0629 -22.0384 -22.0384 -14.2317 -14.2316 -6.4028 -6.4012 -5.7406 -5.7404 -5.6548 -5.6536 -0.8864 -0.8716 0.8941 0.9018 1.1422 1.1666 6.3409 6.3436 7.0545 7.0623 7.4890 7.5046 7.5261 7.5296 7.9330 7.9350 8.4344 8.4371 9.2603 9.2608 9.5420 9.5437 9.5670 9.5676 13.6022 13.6034 14.1889 14.1928 14.2416 14.2475 15.9533 15.9578 k = 0.5012 0.2033 0.2028 ( 2744 PWs) bands (ev): -45.9664 -45.9664 -22.7046 -22.7037 -22.0642 -22.0632 -22.0398 -22.0398 -14.2278 -14.2278 -6.3747 -6.3730 -5.7356 -5.7354 -5.6598 -5.6586 -0.9044 -0.8883 0.8657 0.8738 1.1219 1.1482 6.3377 6.3395 7.0319 7.0423 7.4647 7.4837 7.5005 7.5044 7.9254 7.9274 8.3808 8.3832 9.2736 9.2739 9.5804 9.5826 9.6045 9.6049 13.6559 13.6572 14.2033 14.2072 14.2549 14.2606 16.0386 16.0430 k = 0.5012 0.2122 0.2116 ( 2744 PWs) bands (ev): -45.9663 -45.9663 -22.7053 -22.7044 -22.0646 -22.0636 -22.0412 -22.0411 -14.2239 -14.2239 -6.3459 -6.3441 -5.7305 -5.7302 -5.6643 -5.6630 -0.9233 -0.9060 0.8368 0.8452 1.0994 1.1276 6.3344 6.3354 7.0143 7.0275 7.4386 7.4610 7.4727 7.4770 7.9179 7.9199 8.3306 8.3327 9.2905 9.2908 9.6137 9.6161 9.6453 9.6457 13.7094 13.7107 14.2187 14.2225 14.2693 14.2749 16.1240 16.1282 k = 0.5013 0.2211 0.2205 ( 2736 PWs) bands (ev): -45.9663 -45.9663 -22.7060 -22.7051 -22.0650 -22.0640 -22.0426 -22.0425 -14.2199 -14.2199 -6.3165 -6.3146 -5.7253 -5.7250 -5.6682 -5.6669 -0.9430 -0.9246 0.8074 0.8161 1.0747 1.1047 6.3309 6.3311 7.0015 7.0179 7.4107 7.4365 7.4430 7.4475 7.9105 7.9125 8.2845 8.2863 9.3112 9.3112 9.6441 9.6467 9.6871 9.6876 13.7624 13.7637 14.2350 14.2388 14.2848 14.2902 16.2090 16.2132 k = 0.5013 0.2300 0.2294 ( 2739 PWs) bands (ev): -45.9662 -45.9662 -22.7068 -22.7059 -22.0654 -22.0644 -22.0440 -22.0439 -14.2159 -14.2159 -6.2865 -6.2845 -5.7202 -5.7198 -5.6716 -5.6702 -0.9636 -0.9440 0.7776 0.7866 1.0478 1.0796 6.3266 6.3272 6.9933 7.0133 7.3809 7.4092 7.4127 7.4161 7.9032 7.9051 8.2428 8.2445 9.3352 9.3352 9.6730 9.6757 9.7285 9.7292 13.8149 13.8162 14.2521 14.2558 14.3013 14.3066 16.2934 16.2975 k = 0.5014 0.2390 0.2383 ( 2739 PWs) bands (ev): -45.9662 -45.9662 -22.7076 -22.7066 -22.0658 -22.0647 -22.0454 -22.0453 -14.2119 -14.2119 -6.2561 -6.2540 -5.7151 -5.7146 -5.6744 -5.6729 -0.9849 -0.9642 0.7476 0.7569 1.0187 1.0522 6.3218 6.3231 6.9893 7.0133 7.3495 7.3768 7.3831 7.3845 7.8959 7.8976 8.2060 8.2075 9.3624 9.3626 9.7010 9.7039 9.7689 9.7697 13.8667 13.8680 14.2700 14.2736 14.3188 14.3239 16.3768 16.3808 k = 0.5014 0.2479 0.2471 ( 2735 PWs) bands (ev): -45.9661 -45.9661 -22.7083 -22.7073 -22.0662 -22.0651 -22.0468 -22.0467 -14.2079 -14.2079 -6.2253 -6.2231 -5.7100 -5.7094 -5.6765 -5.6749 -1.0069 -0.9851 0.7175 0.7270 0.9876 1.0227 6.3167 6.3186 6.9888 7.0172 7.3169 7.3421 7.3488 7.3565 7.8887 7.8900 8.1741 8.1756 9.3927 9.3929 9.7284 9.7313 9.8081 9.8089 13.9175 13.9189 14.2887 14.2922 14.3372 14.3421 16.4588 16.4626 k = 0.5015 0.2568 0.2560 ( 2738 PWs) bands (ev): -45.9661 -45.9661 -22.7091 -22.7081 -22.0666 -22.0655 -22.0482 -22.0482 -14.2039 -14.2039 -6.1943 -6.1920 -5.7051 -5.7043 -5.6779 -5.6761 -1.0295 -1.0066 0.6874 0.6970 0.9545 0.9911 6.3113 6.3136 6.9906 7.0241 7.2838 7.3061 7.3139 7.3290 7.8817 7.8824 8.1473 8.1487 9.4257 9.4260 9.7551 9.7581 9.8458 9.8467 13.9674 13.9688 14.3081 14.3114 14.3565 14.3611 16.5390 16.5427 k = 0.5015 0.2657 0.2649 ( 2738 PWs) bands (ev): -45.9660 -45.9660 -22.7098 -22.7089 -22.0670 -22.0659 -22.0497 -22.0496 -14.2000 -14.2000 -6.1631 -6.1606 -5.7004 -5.6994 -5.6785 -5.6765 -1.0526 -1.0287 0.6574 0.6671 0.9197 0.9576 6.3053 6.3079 6.9932 7.0318 7.2515 7.2694 7.2794 7.3036 7.8749 7.8750 8.1254 8.1267 9.4611 9.4614 9.7814 9.7844 9.8821 9.8831 14.0162 14.0176 14.3281 14.3313 14.3764 14.3809 16.6169 16.6205 k = 0.5016 0.2746 0.2738 ( 2739 PWs) bands (ev): -45.9659 -45.9659 -22.7106 -22.7096 -22.0673 -22.0663 -22.0511 -22.0510 -14.1960 -14.1960 -6.1317 -6.1292 -5.6961 -5.6948 -5.6781 -5.6759 -1.0762 -1.0514 0.6275 0.6374 0.8834 0.9224 6.2987 6.3016 6.9941 7.0372 7.2204 7.2321 7.2486 7.2825 7.8677 7.8690 8.1078 8.1092 9.4986 9.4991 9.8073 9.8104 9.9168 9.9178 14.0638 14.0651 14.3486 14.3517 14.3970 14.4013 16.6921 16.6956 k = 0.5016 0.2835 0.2827 ( 2742 PWs) bands (ev): -45.9659 -45.9659 -22.7114 -22.7104 -22.0677 -22.0667 -22.0525 -22.0524 -14.1921 -14.1921 -6.1004 -6.0978 -5.6923 -5.6908 -5.6766 -5.6742 -1.1001 -1.0744 0.5980 0.6079 0.8458 0.8858 6.2915 6.2945 6.9907 7.0350 7.1885 7.1945 7.2289 7.2686 7.8612 7.8639 8.0942 8.0956 9.5379 9.5385 9.8330 9.8361 9.9499 9.9510 14.1101 14.1113 14.3696 14.3725 14.4182 14.4222 16.7640 16.7673 k = 0.5017 0.2924 0.2915 ( 2744 PWs) bands (ev): -45.9658 -45.9658 -22.7121 -22.7112 -22.0681 -22.0671 -22.0538 -22.0537 -14.1883 -14.1883 -6.0691 -6.0665 -5.6890 -5.6875 -5.6739 -5.6716 -1.1242 -1.0978 0.5688 0.5787 0.8070 0.8478 6.2835 6.2865 6.9806 7.0214 7.1539 7.1570 7.2265 7.2643 7.8555 7.8600 8.0841 8.0854 9.5788 9.5794 9.8583 9.8615 9.9814 9.9825 14.1549 14.1561 14.3910 14.3938 14.4397 14.4436 16.8320 16.8351 k = 0.5017 0.3013 0.3004 ( 2744 PWs) bands (ev): -45.9658 -45.9658 -22.7128 -22.7119 -22.0685 -22.0675 -22.0552 -22.0551 -14.1845 -14.1845 -6.0381 -6.0354 -5.6861 -5.6846 -5.6702 -5.6680 -1.1485 -1.1214 0.5401 0.5500 0.7675 0.8089 6.2747 6.2774 6.9633 6.9973 7.1178 7.1196 7.2396 7.2702 7.8509 7.8574 8.0768 8.0780 9.6209 9.6216 9.8835 9.8867 10.0112 10.0124 14.1982 14.1993 14.4128 14.4154 14.4616 14.4652 16.8953 16.8983 k = 0.5018 0.3102 0.3093 ( 2742 PWs) bands (ev): -45.9657 -45.9657 -22.7135 -22.7126 -22.0688 -22.0679 -22.0565 -22.0564 -14.1809 -14.1809 -6.0074 -6.0047 -5.6832 -5.6818 -5.6659 -5.6639 -1.1729 -1.1452 0.5120 0.5218 0.7274 0.7692 6.2648 6.2673 6.9400 6.9667 7.0814 7.0826 7.2630 7.2852 7.8477 7.8565 8.0719 8.0730 9.6638 9.6647 9.9086 9.9117 10.0394 10.0407 14.2398 14.2409 14.4349 14.4374 14.4836 14.4870 16.9533 16.9562 k = 0.5018 0.3191 0.3182 ( 2744 PWs) bands (ev): -45.9657 -45.9657 -22.7142 -22.7134 -22.0692 -22.0683 -22.0578 -22.0577 -14.1773 -14.1773 -5.9771 -5.9743 -5.6803 -5.6790 -5.6613 -5.6595 -1.1971 -1.1691 0.4846 0.4943 0.6870 0.7290 6.2537 6.2560 6.9128 6.9333 7.0453 7.0462 7.2926 7.3070 7.8461 7.8574 8.0690 8.0700 9.7074 9.7083 9.9335 9.9365 10.0660 10.0674 14.2797 14.2807 14.4573 14.4595 14.5057 14.5089 17.0052 17.0078 k = 0.5019 0.3280 0.3270 ( 2742 PWs) bands (ev): -45.9656 -45.9656 -22.7149 -22.7140 -22.0695 -22.0686 -22.0590 -22.0589 -14.1738 -14.1738 -5.9472 -5.9446 -5.6771 -5.6759 -5.6566 -5.6549 -1.2213 -1.1929 0.4579 0.4675 0.6467 0.6887 6.2414 6.2435 6.8837 6.8994 7.0098 7.0105 7.3260 7.3334 7.8463 7.8603 8.0676 8.0686 9.7513 9.7523 9.9583 9.9612 10.0910 10.0925 14.3179 14.3187 14.4798 14.4818 14.5277 14.5306 17.0500 17.0525 k = 0.5019 0.3369 0.3359 ( 2746 PWs) bands (ev): -45.9656 -45.9656 -22.7156 -22.7147 -22.0698 -22.0690 -22.0602 -22.0601 -14.1704 -14.1704 -5.9181 -5.9154 -5.6738 -5.6725 -5.6519 -5.6503 -1.2451 -1.2167 0.4321 0.4414 0.6066 0.6484 6.2278 6.2296 6.8543 6.8663 6.9751 6.9757 7.3612 7.3626 7.8485 7.8653 8.0676 8.0684 9.7952 9.7964 9.9830 9.9858 10.1145 10.1160 14.3541 14.3547 14.5024 14.5042 14.5495 14.5522 17.0871 17.0894 k = 0.5020 0.3458 0.3448 ( 2744 PWs) bands (ev): -45.9655 -45.9655 -22.7162 -22.7154 -22.0701 -22.0693 -22.0614 -22.0612 -14.1671 -14.1671 -5.8896 -5.8871 -5.6702 -5.6688 -5.6472 -5.6457 -1.2685 -1.2402 0.4072 0.4163 0.5671 0.6084 6.2129 6.2143 6.8258 6.8350 6.9415 6.9420 7.3931 7.3971 7.8530 7.8726 8.0685 8.0693 9.8389 9.8401 10.0075 10.0102 10.1363 10.1380 14.3883 14.3888 14.5251 14.5267 14.5709 14.5734 17.1159 17.1180 k = 0.5020 0.3547 0.3537 ( 2744 PWs) bands (ev): -45.9655 -45.9655 -22.7168 -22.7160 -22.0704 -22.0697 -22.0625 -22.0623 -14.1640 -14.1640 -5.8620 -5.8596 -5.6663 -5.6648 -5.6427 -5.6411 -1.2915 -1.2633 0.3833 0.3921 0.5285 0.5690 6.1967 6.1979 6.7989 6.8059 6.9090 6.9094 7.4238 7.4324 7.8599 7.8822 8.0703 8.0710 9.8820 9.8833 10.0319 10.0345 10.1567 10.1584 14.4204 14.4207 14.5478 14.5491 14.5919 14.5942 17.1361 17.1382 k = 0.5021 0.3636 0.3626 ( 2743 PWs) bands (ev): -45.9654 -45.9654 -22.7173 -22.7166 -22.0707 -22.0700 -22.0636 -22.0634 -14.1610 -14.1610 -5.8354 -5.8332 -5.6623 -5.6606 -5.6382 -5.6367 -1.3138 -1.2860 0.3605 0.3689 0.4909 0.5305 6.1793 6.1802 6.7740 6.7793 6.8778 6.8782 7.4536 7.4662 7.8694 7.8942 8.0727 8.0734 9.9242 9.9258 10.0561 10.0585 10.1756 10.1774 14.4504 14.4505 14.5703 14.5714 14.6122 14.6144 17.1479 17.1499 k = 0.5021 0.3725 0.3714 ( 2743 PWs) bands (ev): -45.9654 -45.9654 -22.7179 -22.7172 -22.0710 -22.0704 -22.0646 -22.0643 -14.1582 -14.1582 -5.8098 -5.8078 -5.6581 -5.6562 -5.6339 -5.6324 -1.3353 -1.3081 0.3388 0.3469 0.4547 0.4931 6.1609 6.1616 6.7515 6.7555 6.8481 6.8485 7.4818 7.4977 7.8818 7.9085 8.0755 8.0762 9.9654 9.9671 10.0800 10.0822 10.1930 10.1949 14.4782 14.4783 14.5926 14.5935 14.6319 14.6339 17.1518 17.1539 k = 0.5022 0.3814 0.3803 ( 2746 PWs) bands (ev): -45.9654 -45.9654 -22.7184 -22.7178 -22.0713 -22.0707 -22.0655 -22.0653 -14.1555 -14.1555 -5.7854 -5.7837 -5.6539 -5.6517 -5.6298 -5.6283 -1.3560 -1.3295 0.3183 0.3260 0.4201 0.4571 6.1419 6.1424 6.7314 6.7344 6.8200 6.8203 7.5078 7.5262 7.8970 7.9250 8.0787 8.0794 10.0051 10.0070 10.1034 10.1056 10.2091 10.2111 14.5037 14.5040 14.6145 14.6151 14.6507 14.6525 17.1487 17.1510 k = 0.5022 0.3903 0.3892 ( 2744 PWs) bands (ev): -45.9653 -45.9653 -22.7189 -22.7183 -22.0715 -22.0710 -22.0664 -22.0661 -14.1530 -14.1530 -5.7623 -5.7610 -5.6496 -5.6471 -5.6258 -5.6243 -1.3756 -1.3502 0.2991 0.3063 0.3873 0.4226 6.1224 6.1227 6.7137 6.7159 6.7936 6.7938 7.5313 7.5513 7.9148 7.9434 8.0821 8.0829 10.0432 10.0453 10.1264 10.1284 10.2238 10.2259 14.5271 14.5275 14.6358 14.6362 14.6687 14.6703 17.1398 17.1426 k = 0.5023 0.3992 0.3981 ( 2746 PWs) bands (ev): -45.9653 -45.9653 -22.7194 -22.7188 -22.0718 -22.0714 -22.0672 -22.0669 -14.1507 -14.1507 -5.7406 -5.7397 -5.6453 -5.6424 -5.6220 -5.6206 -1.3942 -1.3699 0.2813 0.2880 0.3565 0.3898 6.1028 6.1031 6.6983 6.6999 6.7689 6.7691 7.5522 7.5728 7.9349 7.9632 8.0856 8.0865 10.0793 10.0816 10.1488 10.1506 10.2371 10.2395 14.5485 14.5490 14.6563 14.6566 14.6856 14.6870 17.1265 17.1298 k = 0.5023 0.4081 0.4069 ( 2744 PWs) bands (ev): -45.9653 -45.9653 -22.7198 -22.7192 -22.0720 -22.0717 -22.0679 -22.0676 -14.1486 -14.1485 -5.7205 -5.7201 -5.6411 -5.6378 -5.6185 -5.6170 -1.4115 -1.3885 0.2648 0.2710 0.3279 0.3591 6.0836 6.0837 6.6849 6.6861 6.7460 6.7462 7.5704 7.5909 7.9567 7.9838 8.0892 8.0902 10.1132 10.1158 10.1703 10.1719 10.2492 10.2518 14.5679 14.5685 14.6758 14.6759 14.7014 14.7027 17.1099 17.1140 k = 0.5024 0.4170 0.4158 ( 2744 PWs) bands (ev): -45.9652 -45.9652 -22.7201 -22.7197 -22.0722 -22.0720 -22.0685 -22.0682 -14.1466 -14.1466 -5.7022 -5.7020 -5.6370 -5.6333 -5.6151 -5.6137 -1.4274 -1.4060 0.2498 0.2553 0.3016 0.3305 6.0650 6.0651 6.6736 6.6745 6.7251 6.7253 7.5861 7.6059 7.9793 8.0046 8.0926 8.0939 10.1447 10.1476 10.1908 10.1924 10.2601 10.2628 14.5853 14.5860 14.6941 14.6941 14.7160 14.7171 17.0914 17.0962 k = 0.5024 0.4259 0.4247 ( 2746 PWs) bands (ev): -45.9652 -45.9652 -22.7205 -22.7200 -22.0725 -22.0723 -22.0691 -22.0688 -14.1448 -14.1448 -5.6862 -5.6853 -5.6331 -5.6288 -5.6120 -5.6106 -1.4419 -1.4222 0.2362 0.2411 0.2779 0.3042 6.0474 6.0474 6.6640 6.6646 6.7062 6.7063 7.5996 7.6180 8.0020 8.0248 8.0960 8.0976 10.1734 10.1767 10.2100 10.2116 10.2698 10.2728 14.6009 14.6016 14.7109 14.7110 14.7293 14.7303 17.0719 17.0774 k = 0.5025 0.4348 0.4336 ( 2752 PWs) bands (ev): -45.9652 -45.9652 -22.7208 -22.7204 -22.0727 -22.0726 -22.0696 -22.0693 -14.1432 -14.1432 -5.6722 -5.6705 -5.6292 -5.6243 -5.6091 -5.6078 -1.4548 -1.4370 0.2241 0.2284 0.2569 0.2803 6.0310 6.0311 6.6559 6.6564 6.6893 6.6894 7.6110 7.6276 8.0240 8.0438 8.0992 8.1013 10.1990 10.2028 10.2279 10.2295 10.2784 10.2816 14.6147 14.6154 14.7261 14.7263 14.7414 14.7422 17.0524 17.0580 k = 0.5025 0.4437 0.4425 ( 2754 PWs) bands (ev): -45.9652 -45.9652 -22.7211 -22.7207 -22.0730 -22.0729 -22.0700 -22.0697 -14.1418 -14.1418 -5.6604 -5.6580 -5.6253 -5.6200 -5.6065 -5.6052 -1.4660 -1.4503 0.2136 0.2172 0.2386 0.2591 6.0163 6.0163 6.6493 6.6496 6.6745 6.6747 7.6206 7.6353 8.0445 8.0609 8.1022 8.1051 10.2214 10.2257 10.2443 10.2459 10.2859 10.2893 14.6266 14.6273 14.7396 14.7398 14.7521 14.7527 17.0338 17.0384 k = 0.5026 0.4526 0.4513 ( 2758 PWs) bands (ev): -45.9652 -45.9652 -22.7213 -22.7210 -22.0732 -22.0731 -22.0704 -22.0701 -14.1406 -14.1406 -5.6508 -5.6478 -5.6213 -5.6158 -5.6041 -5.6030 -1.4755 -1.4619 0.2047 0.2075 0.2232 0.2406 6.0034 6.0034 6.6439 6.6441 6.6619 6.6620 7.6286 7.6411 8.0629 8.0754 8.1052 8.1091 10.2403 10.2449 10.2590 10.2606 10.2924 10.2960 14.6368 14.6374 14.7512 14.7514 14.7614 14.7619 17.0167 17.0196 k = 0.5026 0.4615 0.4602 ( 2776 PWs) bands (ev): -45.9652 -45.9652 -22.7216 -22.7213 -22.0734 -22.0734 -22.0707 -22.0704 -14.1397 -14.1397 -5.6433 -5.6402 -5.6171 -5.6120 -5.6019 -5.6010 -1.4832 -1.4720 0.1973 0.1993 0.2108 0.2248 5.9925 5.9925 6.6396 6.6397 6.6515 6.6515 7.6351 7.6454 8.0784 8.0866 8.1081 8.1134 10.2555 10.2601 10.2720 10.2734 10.2981 10.3017 14.6452 14.6457 14.7607 14.7609 14.7693 14.7696 17.0019 17.0028 k = 0.5027 0.4704 0.4691 ( 2790 PWs) bands (ev): -45.9651 -45.9651 -22.7218 -22.7216 -22.0736 -22.0736 -22.0709 -22.0707 -14.1389 -14.1389 -5.6379 -5.6351 -5.6130 -5.6088 -5.5999 -5.5994 -1.4891 -1.4802 0.1916 0.1928 0.2014 0.2120 5.9837 5.9838 6.6363 6.6364 6.6432 6.6433 7.6404 7.6484 8.0903 8.0943 8.1115 8.1180 10.2672 10.2712 10.2830 10.2838 10.3030 10.3065 14.6518 14.6522 14.7681 14.7683 14.7757 14.7759 16.9895 16.9899 k = 0.5027 0.4793 0.4780 ( 2800 PWs) bands (ev): -45.9651 -45.9651 -22.7219 -22.7218 -22.0738 -22.0738 -22.0711 -22.0709 -14.1383 -14.1383 -5.6341 -5.6320 -5.6094 -5.6064 -5.5983 -5.5980 -1.4930 -1.4866 0.1875 0.1880 0.1950 0.2023 5.9773 5.9773 6.6339 6.6340 6.6372 6.6373 7.6444 7.6502 8.0978 8.0991 8.1157 8.1219 10.2756 10.2786 10.2912 10.2915 10.3071 10.3100 14.6567 14.6570 14.7734 14.7736 14.7806 14.7807 16.9802 16.9810 k = 0.5028 0.4882 0.4868 ( 2800 PWs) bands (ev): -45.9651 -45.9651 -22.7219 -22.7219 -22.0739 -22.0739 -22.0711 -22.0710 -14.1380 -14.1380 -5.6317 -5.6305 -5.6069 -5.6052 -5.5971 -5.5970 -1.4949 -1.4911 0.1849 0.1850 0.1914 0.1956 5.9733 5.9733 6.6324 6.6324 6.6336 6.6337 7.6474 7.6508 8.1016 8.1018 8.1199 8.1242 10.2809 10.2827 10.2962 10.2963 10.3104 10.3123 14.6597 14.6599 14.7766 14.7767 14.7837 14.7838 16.9747 16.9754 k = 0.5028 0.4971 0.4957 ( 2800 PWs) bands (ev): -45.9651 -45.9651 -22.7219 -22.7219 -22.0739 -22.0739 -22.0711 -22.0711 -14.1378 -14.1378 -5.6306 -5.6302 -5.6056 -5.6050 -5.5965 -5.5965 -1.4949 -1.4937 0.1839 0.1839 0.1908 0.1921 5.9717 5.9717 6.6315 6.6315 6.6324 6.6324 7.6492 7.6503 8.1030 8.1030 8.1226 8.1241 10.2833 10.2839 10.2982 10.2982 10.3122 10.3129 14.6610 14.6611 14.7779 14.7779 14.7850 14.7850 16.9730 16.9734 Writing output data file BaTiO3.save init_run : 2.21s CPU 12.49s WALL ( 1 calls) electrons : 642.07s CPU 649.21s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.21s CPU 2.02s WALL ( 1 calls) Called by electrons: c_bands : 641.97s CPU 648.99s WALL ( 1 calls) v_of_rho : 0.06s CPU 0.97s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.04s CPU 0.60s WALL ( 1 calls) newd : 0.33s CPU 0.60s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.13s WALL ( 328 calls) cegterg : 621.27s CPU 625.48s WALL ( 1133 calls) Called by sum_band: Called by *egterg: h_psi : 209.61s CPU 220.34s WALL ( 21162 calls) s_psi : 25.08s CPU 25.76s WALL ( 21162 calls) g_psi : 0.52s CPU 0.57s WALL ( 19701 calls) cdiaghg : 293.14s CPU 287.88s WALL ( 20029 calls) cegterg:over : 48.25s CPU 45.84s WALL ( 19701 calls) cegterg:upda : 6.57s CPU 10.56s WALL ( 19701 calls) cegterg:last : 6.53s CPU 7.50s WALL ( 2494 calls) Called by h_psi: h_psi:vloc : 161.11s CPU 170.61s WALL ( 21162 calls) h_psi:vnl : 48.26s CPU 49.09s WALL ( 21162 calls) add_vuspsi : 15.92s CPU 18.73s WALL ( 21162 calls) General routines calbec : 32.26s CPU 30.25s WALL ( 21162 calls) fft : 0.40s CPU 1.22s WALL ( 19 calls) ffts : 0.02s CPU 0.61s WALL ( 4 calls) fftw : 148.51s CPU 154.94s WALL ( 1388328 calls) interpolate : 0.05s CPU 0.64s WALL ( 4 calls) davcio : 0.03s CPU 0.70s WALL ( 656 calls) Parallel routines fft_scatter : 105.70s CPU 110.24s WALL ( 1388351 calls) PWSCF : 11m31.80s CPU 12m37.65s WALL This run was terminated on: 15:20:14 11Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=