Program PWSCF v.5.1.1 starts on 10Oct2015 at 21:24:15 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: ./KNbO3.save/ file Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P 4P renormalized file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 30 18 5 893 404 67 Max 31 19 6 899 413 72 Sum 1481 877 273 43045 19591 3275 bravais-lattice index = 14 lattice parameter (alat) = 7.5849 a.u. unit-cell volume = 436.3531 (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 = 48.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.584869 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.003072 celldm(5)= 0.003072 celldm(6)= 0.003072 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.003072 0.999995 0.000000 ) a(3) = ( 0.003072 0.003062 0.999991 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.003072 -0.003062 ) b(2) = ( 0.000000 1.000005 -0.003062 ) b(3) = ( 0.000000 0.000000 1.000009 ) PseudoPot. # 1 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. # 2 for Nb read from file: /home/autes/Pseudo/Nb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: c1e153ab096482f446ae869583c6ae55 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1227 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 PseudoPot. # 3 for K read from file: /home/autes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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 O 6.00 15.99940 O( 1.00) Nb 13.00 92.90640 Nb( 1.00) K 9.00 39.09830 K( 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= 327 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 2) = ( 0.0125000 -0.0000384 -0.0000383), wk = 0.0030581 k( 3) = ( 0.0250000 -0.0000768 -0.0000766), wk = 0.0030581 k( 4) = ( 0.0375000 -0.0001152 -0.0001148), wk = 0.0030581 k( 5) = ( 0.0500000 -0.0001536 -0.0001531), wk = 0.0030581 k( 6) = ( 0.0625000 -0.0001920 -0.0001914), wk = 0.0030581 k( 7) = ( 0.0750000 -0.0002304 -0.0002297), wk = 0.0030581 k( 8) = ( 0.0875000 -0.0002688 -0.0002680), wk = 0.0030581 k( 9) = ( 0.1000000 -0.0003072 -0.0003062), wk = 0.0030581 k( 10) = ( 0.1125000 -0.0003456 -0.0003445), wk = 0.0030581 k( 11) = ( 0.1250000 -0.0003840 -0.0003828), wk = 0.0030581 k( 12) = ( 0.1375000 -0.0004224 -0.0004211), wk = 0.0030581 k( 13) = ( 0.1500000 -0.0004608 -0.0004594), wk = 0.0030581 k( 14) = ( 0.1625000 -0.0004992 -0.0004976), wk = 0.0030581 k( 15) = ( 0.1750000 -0.0005376 -0.0005359), wk = 0.0030581 k( 16) = ( 0.1875000 -0.0005760 -0.0005742), wk = 0.0030581 k( 17) = ( 0.2000000 -0.0006144 -0.0006125), wk = 0.0030581 k( 18) = ( 0.2125000 -0.0006528 -0.0006508), wk = 0.0030581 k( 19) = ( 0.2250000 -0.0006912 -0.0006890), wk = 0.0030581 k( 20) = ( 0.2375000 -0.0007295 -0.0007273), wk = 0.0030581 k( 21) = ( 0.2500000 -0.0007679 -0.0007656), wk = 0.0030581 k( 22) = ( 0.2625000 -0.0008063 -0.0008039), wk = 0.0030581 k( 23) = ( 0.2750000 -0.0008447 -0.0008422), wk = 0.0030581 k( 24) = ( 0.2875000 -0.0008831 -0.0008804), wk = 0.0030581 k( 25) = ( 0.3000000 -0.0009215 -0.0009187), wk = 0.0030581 k( 26) = ( 0.3125000 -0.0009599 -0.0009570), wk = 0.0030581 k( 27) = ( 0.3250000 -0.0009983 -0.0009953), wk = 0.0030581 k( 28) = ( 0.3375000 -0.0010367 -0.0010336), wk = 0.0030581 k( 29) = ( 0.3500000 -0.0010751 -0.0010718), wk = 0.0030581 k( 30) = ( 0.3625000 -0.0011135 -0.0011101), wk = 0.0030581 k( 31) = ( 0.3750000 -0.0011519 -0.0011484), wk = 0.0030581 k( 32) = ( 0.3875000 -0.0011903 -0.0011867), wk = 0.0030581 k( 33) = ( 0.4000000 -0.0012287 -0.0012250), wk = 0.0030581 k( 34) = ( 0.4125000 -0.0012671 -0.0012632), wk = 0.0030581 k( 35) = ( 0.4250000 -0.0013055 -0.0013015), wk = 0.0030581 k( 36) = ( 0.4375000 -0.0013439 -0.0013398), wk = 0.0030581 k( 37) = ( 0.4500000 -0.0013823 -0.0013781), wk = 0.0030581 k( 38) = ( 0.4625000 -0.0014207 -0.0014164), wk = 0.0030581 k( 39) = ( 0.4750000 -0.0014591 -0.0014546), wk = 0.0030581 k( 40) = ( 0.4875000 -0.0014975 -0.0014929), wk = 0.0030581 k( 41) = ( 0.5000000 -0.0015359 -0.0015312), wk = 0.0030581 k( 42) = ( 0.5000000 -0.0015359 -0.0015312), wk = 0.0030581 k( 43) = ( 0.5000000 0.0073382 -0.0104325), wk = 0.0030581 k( 44) = ( 0.5000000 0.0162123 -0.0193338), wk = 0.0030581 k( 45) = ( 0.5000000 0.0250864 -0.0282351), wk = 0.0030581 k( 46) = ( 0.5000000 0.0339605 -0.0371364), wk = 0.0030581 k( 47) = ( 0.5000000 0.0428346 -0.0460378), wk = 0.0030581 k( 48) = ( 0.5000000 0.0517087 -0.0549391), wk = 0.0030581 k( 49) = ( 0.5000000 0.0605828 -0.0638404), wk = 0.0030581 k( 50) = ( 0.5000000 0.0694569 -0.0727417), wk = 0.0030581 k( 51) = ( 0.5000000 0.0783310 -0.0816430), wk = 0.0030581 k( 52) = ( 0.5000000 0.0872051 -0.0905443), wk = 0.0030581 k( 53) = ( 0.5000000 0.0960792 -0.0994456), wk = 0.0030581 k( 54) = ( 0.5000000 0.1049532 -0.1083470), wk = 0.0030581 k( 55) = ( 0.5000000 0.1138273 -0.1172483), wk = 0.0030581 k( 56) = ( 0.5000000 0.1227014 -0.1261496), wk = 0.0030581 k( 57) = ( 0.5000000 0.1315755 -0.1350509), wk = 0.0030581 k( 58) = ( 0.5000000 0.1404496 -0.1439522), wk = 0.0030581 k( 59) = ( 0.5000000 0.1493237 -0.1528535), wk = 0.0030581 k( 60) = ( 0.5000000 0.1581978 -0.1617548), wk = 0.0030581 k( 61) = ( 0.5000000 0.1670719 -0.1706561), wk = 0.0030581 k( 62) = ( 0.5000000 0.1759460 -0.1795574), wk = 0.0030581 k( 63) = ( 0.5000000 0.1848201 -0.1884588), wk = 0.0030581 k( 64) = ( 0.5000000 0.1936942 -0.1973601), wk = 0.0030581 k( 65) = ( 0.5000000 0.2025683 -0.2062614), wk = 0.0030581 k( 66) = ( 0.5000000 0.2114424 -0.2151627), wk = 0.0030581 k( 67) = ( 0.5000000 0.2203165 -0.2240640), wk = 0.0030581 k( 68) = ( 0.5000000 0.2291906 -0.2329653), wk = 0.0030581 k( 69) = ( 0.5000000 0.2380647 -0.2418666), wk = 0.0030581 k( 70) = ( 0.5000000 0.2469388 -0.2507680), wk = 0.0030581 k( 71) = ( 0.5000000 0.2558129 -0.2596693), wk = 0.0030581 k( 72) = ( 0.5000000 0.2646870 -0.2685706), wk = 0.0030581 k( 73) = ( 0.5000000 0.2735611 -0.2774719), wk = 0.0030581 k( 74) = ( 0.5000000 0.2824351 -0.2863732), wk = 0.0030581 k( 75) = ( 0.5000000 0.2913092 -0.2952745), wk = 0.0030581 k( 76) = ( 0.5000000 0.3001833 -0.3041758), wk = 0.0030581 k( 77) = ( 0.5000000 0.3090574 -0.3130771), wk = 0.0030581 k( 78) = ( 0.5000000 0.3179315 -0.3219785), wk = 0.0030581 k( 79) = ( 0.5000000 0.3268056 -0.3308798), wk = 0.0030581 k( 80) = ( 0.5000000 0.3356797 -0.3397811), wk = 0.0030581 k( 81) = ( 0.5000000 0.3445538 -0.3486824), wk = 0.0030581 k( 82) = ( 0.5000000 0.3534279 -0.3575837), wk = 0.0030581 k( 83) = ( 0.5000000 0.3623020 -0.3664850), wk = 0.0030581 k( 84) = ( 0.5000000 0.3711761 -0.3753863), wk = 0.0030581 k( 85) = ( 0.5000000 0.3800502 -0.3842876), wk = 0.0030581 k( 86) = ( 0.5000000 0.3889243 -0.3931889), wk = 0.0030581 k( 87) = ( 0.5000000 0.3977984 -0.4020903), wk = 0.0030581 k( 88) = ( 0.5000000 0.4066725 -0.4109916), wk = 0.0030581 k( 89) = ( 0.5000000 0.4155466 -0.4198929), wk = 0.0030581 k( 90) = ( 0.5000000 0.4244207 -0.4287942), wk = 0.0030581 k( 91) = ( 0.5000000 0.4332948 -0.4376955), wk = 0.0030581 k( 92) = ( 0.5000000 0.4421689 -0.4465968), wk = 0.0030581 k( 93) = ( 0.5000000 0.4510430 -0.4554981), wk = 0.0030581 k( 94) = ( 0.5000000 0.4599171 -0.4643995), wk = 0.0030581 k( 95) = ( 0.5000000 0.4687911 -0.4733008), wk = 0.0030581 k( 96) = ( 0.5000000 0.4776652 -0.4822021), wk = 0.0030581 k( 97) = ( 0.5000000 0.4865393 -0.4911034), wk = 0.0030581 k( 98) = ( 0.5000000 0.4954134 -0.5000047), wk = 0.0030581 k( 99) = ( 0.5030530 0.4984571 0.4938799), wk = 0.0030581 k( 100) = ( 0.5000000 0.4984665 0.4969423), wk = 0.0030581 k( 101) = ( 0.5000000 0.4984665 0.4969423), wk = 0.0030581 k( 102) = ( 0.4926471 0.4911361 0.4896343), wk = 0.0030581 k( 103) = ( 0.4852941 0.4838057 0.4823264), wk = 0.0030581 k( 104) = ( 0.4779412 0.4764753 0.4750184), wk = 0.0030581 k( 105) = ( 0.4705882 0.4691449 0.4677104), wk = 0.0030581 k( 106) = ( 0.4632353 0.4618145 0.4604024), wk = 0.0030581 k( 107) = ( 0.4558823 0.4544841 0.4530945), wk = 0.0030581 k( 108) = ( 0.4485294 0.4471537 0.4457865), wk = 0.0030581 k( 109) = ( 0.4411765 0.4398234 0.4384785), wk = 0.0030581 k( 110) = ( 0.4338235 0.4324930 0.4311705), wk = 0.0030581 k( 111) = ( 0.4264706 0.4251626 0.4238626), wk = 0.0030581 k( 112) = ( 0.4191177 0.4178322 0.4165546), wk = 0.0030581 k( 113) = ( 0.4117647 0.4105018 0.4092466), wk = 0.0030581 k( 114) = ( 0.4044118 0.4031714 0.4019386), wk = 0.0030581 k( 115) = ( 0.3970588 0.3958410 0.3946307), wk = 0.0030581 k( 116) = ( 0.3897059 0.3885106 0.3873227), wk = 0.0030581 k( 117) = ( 0.3823529 0.3811802 0.3800147), wk = 0.0030581 k( 118) = ( 0.3750000 0.3738498 0.3727067), wk = 0.0030581 k( 119) = ( 0.3676471 0.3665195 0.3653988), wk = 0.0030581 k( 120) = ( 0.3602941 0.3591891 0.3580908), wk = 0.0030581 k( 121) = ( 0.3529412 0.3518587 0.3507828), wk = 0.0030581 k( 122) = ( 0.3455882 0.3445283 0.3434748), wk = 0.0030581 k( 123) = ( 0.3382353 0.3371979 0.3361669), wk = 0.0030581 k( 124) = ( 0.3308823 0.3298675 0.3288589), wk = 0.0030581 k( 125) = ( 0.3235294 0.3225371 0.3215509), wk = 0.0030581 k( 126) = ( 0.3161765 0.3152067 0.3142429), wk = 0.0030581 k( 127) = ( 0.3088235 0.3078763 0.3069350), wk = 0.0030581 k( 128) = ( 0.3014706 0.3005460 0.2996270), wk = 0.0030581 k( 129) = ( 0.2941177 0.2932156 0.2923190), wk = 0.0030581 k( 130) = ( 0.2867647 0.2858852 0.2850110), wk = 0.0030581 k( 131) = ( 0.2794118 0.2785548 0.2777030), wk = 0.0030581 k( 132) = ( 0.2720588 0.2712244 0.2703951), wk = 0.0030581 k( 133) = ( 0.2647059 0.2638940 0.2630871), wk = 0.0030581 k( 134) = ( 0.2573529 0.2565636 0.2557791), wk = 0.0030581 k( 135) = ( 0.2500000 0.2492332 0.2484712), wk = 0.0030581 k( 136) = ( 0.2426471 0.2419028 0.2411632), wk = 0.0030581 k( 137) = ( 0.2352941 0.2345725 0.2338552), wk = 0.0030581 k( 138) = ( 0.2279412 0.2272421 0.2265472), wk = 0.0030581 k( 139) = ( 0.2205882 0.2199117 0.2192393), wk = 0.0030581 k( 140) = ( 0.2132353 0.2125813 0.2119313), wk = 0.0030581 k( 141) = ( 0.2058823 0.2052509 0.2046233), wk = 0.0030581 k( 142) = ( 0.1985294 0.1979205 0.1973153), wk = 0.0030581 k( 143) = ( 0.1911765 0.1905901 0.1900074), wk = 0.0030581 k( 144) = ( 0.1838235 0.1832597 0.1826994), wk = 0.0030581 k( 145) = ( 0.1764706 0.1759293 0.1753914), wk = 0.0030581 k( 146) = ( 0.1691177 0.1685990 0.1680834), wk = 0.0030581 k( 147) = ( 0.1617647 0.1612686 0.1607755), wk = 0.0030581 k( 148) = ( 0.1544118 0.1539382 0.1534675), wk = 0.0030581 k( 149) = ( 0.1470588 0.1466078 0.1461595), wk = 0.0030581 k( 150) = ( 0.1397059 0.1392774 0.1388515), wk = 0.0030581 k( 151) = ( 0.1323529 0.1319470 0.1315436), wk = 0.0030581 k( 152) = ( 0.1250000 0.1246166 0.1242356), wk = 0.0030581 k( 153) = ( 0.1176471 0.1172862 0.1169276), wk = 0.0030581 k( 154) = ( 0.1102941 0.1099558 0.1096196), wk = 0.0030581 k( 155) = ( 0.1029412 0.1026255 0.1023117), wk = 0.0030581 k( 156) = ( 0.0955882 0.0952951 0.0950037), wk = 0.0030581 k( 157) = ( 0.0882353 0.0879647 0.0876957), wk = 0.0030581 k( 158) = ( 0.0808824 0.0806343 0.0803877), wk = 0.0030581 k( 159) = ( 0.0735294 0.0733039 0.0730797), wk = 0.0030581 k( 160) = ( 0.0661765 0.0659735 0.0657718), wk = 0.0030581 k( 161) = ( 0.0588235 0.0586431 0.0584638), wk = 0.0030581 k( 162) = ( 0.0514706 0.0513127 0.0511558), wk = 0.0030581 k( 163) = ( 0.0441177 0.0439823 0.0438479), wk = 0.0030581 k( 164) = ( 0.0367647 0.0366520 0.0365399), wk = 0.0030581 k( 165) = ( 0.0294118 0.0293216 0.0292319), wk = 0.0030581 k( 166) = ( 0.0220588 0.0219912 0.0219239), wk = 0.0030581 k( 167) = ( 0.0147059 0.0146608 0.0146159), wk = 0.0030581 k( 168) = ( 0.0073529 0.0073304 0.0073080), wk = 0.0030581 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 171) = ( 0.0089013 -0.0000273 -0.0089287), wk = 0.0030581 k( 172) = ( 0.0178026 -0.0000547 -0.0178573), wk = 0.0030581 k( 173) = ( 0.0267039 -0.0000820 -0.0267860), wk = 0.0030581 k( 174) = ( 0.0356052 -0.0001094 -0.0357146), wk = 0.0030581 k( 175) = ( 0.0445066 -0.0001367 -0.0446433), wk = 0.0030581 k( 176) = ( 0.0534079 -0.0001641 -0.0535719), wk = 0.0030581 k( 177) = ( 0.0623092 -0.0001914 -0.0625006), wk = 0.0030581 k( 178) = ( 0.0712105 -0.0002187 -0.0714292), wk = 0.0030581 k( 179) = ( 0.0801118 -0.0002461 -0.0803579), wk = 0.0030581 k( 180) = ( 0.0890131 -0.0002734 -0.0892866), wk = 0.0030581 k( 181) = ( 0.0979144 -0.0003008 -0.0982152), wk = 0.0030581 k( 182) = ( 0.1068158 -0.0003281 -0.1071439), wk = 0.0030581 k( 183) = ( 0.1157171 -0.0003555 -0.1160725), wk = 0.0030581 k( 184) = ( 0.1246184 -0.0003828 -0.1250012), wk = 0.0030581 k( 185) = ( 0.1335197 -0.0004101 -0.1339298), wk = 0.0030581 k( 186) = ( 0.1424210 -0.0004375 -0.1428585), wk = 0.0030581 k( 187) = ( 0.1513223 -0.0004648 -0.1517871), wk = 0.0030581 k( 188) = ( 0.1602236 -0.0004922 -0.1607158), wk = 0.0030581 k( 189) = ( 0.1691249 -0.0005195 -0.1696444), wk = 0.0030581 k( 190) = ( 0.1780262 -0.0005469 -0.1785731), wk = 0.0030581 k( 191) = ( 0.1869276 -0.0005742 -0.1875018), wk = 0.0030581 k( 192) = ( 0.1958289 -0.0006015 -0.1964304), wk = 0.0030581 k( 193) = ( 0.2047302 -0.0006289 -0.2053591), wk = 0.0030581 k( 194) = ( 0.2136315 -0.0006562 -0.2142877), wk = 0.0030581 k( 195) = ( 0.2225328 -0.0006836 -0.2232164), wk = 0.0030581 k( 196) = ( 0.2314341 -0.0007109 -0.2321450), wk = 0.0030581 k( 197) = ( 0.2403354 -0.0007383 -0.2410737), wk = 0.0030581 k( 198) = ( 0.2492368 -0.0007656 -0.2500024), wk = 0.0030581 k( 199) = ( 0.2581381 -0.0007929 -0.2589310), wk = 0.0030581 k( 200) = ( 0.2670394 -0.0008203 -0.2678597), wk = 0.0030581 k( 201) = ( 0.2759407 -0.0008476 -0.2767883), wk = 0.0030581 k( 202) = ( 0.2848420 -0.0008750 -0.2857170), wk = 0.0030581 k( 203) = ( 0.2937433 -0.0009023 -0.2946456), wk = 0.0030581 k( 204) = ( 0.3026446 -0.0009297 -0.3035743), wk = 0.0030581 k( 205) = ( 0.3115459 -0.0009570 -0.3125029), wk = 0.0030581 k( 206) = ( 0.3204472 -0.0009843 -0.3214316), wk = 0.0030581 k( 207) = ( 0.3293486 -0.0010117 -0.3303603), wk = 0.0030581 k( 208) = ( 0.3382499 -0.0010390 -0.3392889), wk = 0.0030581 k( 209) = ( 0.3471512 -0.0010664 -0.3482176), wk = 0.0030581 k( 210) = ( 0.3560525 -0.0010937 -0.3571462), wk = 0.0030581 k( 211) = ( 0.3649538 -0.0011211 -0.3660749), wk = 0.0030581 k( 212) = ( 0.3738551 -0.0011484 -0.3750035), wk = 0.0030581 k( 213) = ( 0.3827564 -0.0011757 -0.3839322), wk = 0.0030581 k( 214) = ( 0.3916577 -0.0012031 -0.3928608), wk = 0.0030581 k( 215) = ( 0.4005591 -0.0012304 -0.4017895), wk = 0.0030581 k( 216) = ( 0.4094604 -0.0012578 -0.4107182), wk = 0.0030581 k( 217) = ( 0.4183617 -0.0012851 -0.4196468), wk = 0.0030581 k( 218) = ( 0.4272630 -0.0013125 -0.4285755), wk = 0.0030581 k( 219) = ( 0.4361643 -0.0013398 -0.4375041), wk = 0.0030581 k( 220) = ( 0.4450656 -0.0013671 -0.4464328), wk = 0.0030581 k( 221) = ( 0.4539669 -0.0013945 -0.4553614), wk = 0.0030581 k( 222) = ( 0.4628682 -0.0014218 -0.4642901), wk = 0.0030581 k( 223) = ( 0.4717695 -0.0014492 -0.4732187), wk = 0.0030581 k( 224) = ( 0.4806709 -0.0014765 -0.4821474), wk = 0.0030581 k( 225) = ( 0.4895722 -0.0015039 -0.4910760), wk = 0.0030581 k( 226) = ( 0.4984735 -0.0015312 -0.5000047), wk = 0.0030581 k( 227) = ( 0.5015265 0.4969353 -0.0030624), wk = 0.0030581 k( 228) = ( 0.5000000 0.4984665 -0.0030624), wk = 0.0030581 k( 229) = ( 0.5000000 0.4984665 -0.0030624), wk = 0.0030581 k( 230) = ( 0.5000391 0.4985055 0.0096797), wk = 0.0030581 k( 231) = ( 0.5000783 0.4985445 0.0224218), wk = 0.0030581 k( 232) = ( 0.5001174 0.4985835 0.0351639), wk = 0.0030581 k( 233) = ( 0.5001566 0.4986226 0.0479060), wk = 0.0030581 k( 234) = ( 0.5001957 0.4986616 0.0606482), wk = 0.0030581 k( 235) = ( 0.5002349 0.4987006 0.0733903), wk = 0.0030581 k( 236) = ( 0.5002740 0.4987396 0.0861324), wk = 0.0030581 k( 237) = ( 0.5003131 0.4987786 0.0988745), wk = 0.0030581 k( 238) = ( 0.5003523 0.4988177 0.1116166), wk = 0.0030581 k( 239) = ( 0.5003914 0.4988567 0.1243587), wk = 0.0030581 k( 240) = ( 0.5004306 0.4988957 0.1371008), wk = 0.0030581 k( 241) = ( 0.5004697 0.4989347 0.1498429), wk = 0.0030581 k( 242) = ( 0.5005088 0.4989737 0.1625850), wk = 0.0030581 k( 243) = ( 0.5005480 0.4990128 0.1753271), wk = 0.0030581 k( 244) = ( 0.5005871 0.4990518 0.1880693), wk = 0.0030581 k( 245) = ( 0.5006263 0.4990908 0.2008114), wk = 0.0030581 k( 246) = ( 0.5006654 0.4991298 0.2135535), wk = 0.0030581 k( 247) = ( 0.5007045 0.4991688 0.2262956), wk = 0.0030581 k( 248) = ( 0.5007437 0.4992079 0.2390377), wk = 0.0030581 k( 249) = ( 0.5007828 0.4992469 0.2517798), wk = 0.0030581 k( 250) = ( 0.5008220 0.4992859 0.2645219), wk = 0.0030581 k( 251) = ( 0.5008611 0.4993249 0.2772640), wk = 0.0030581 k( 252) = ( 0.5009003 0.4993640 0.2900061), wk = 0.0030581 k( 253) = ( 0.5009394 0.4994030 0.3027483), wk = 0.0030581 k( 254) = ( 0.5009785 0.4994420 0.3154904), wk = 0.0030581 k( 255) = ( 0.5010177 0.4994810 0.3282325), wk = 0.0030581 k( 256) = ( 0.5010568 0.4995200 0.3409746), wk = 0.0030581 k( 257) = ( 0.5010960 0.4995591 0.3537167), wk = 0.0030581 k( 258) = ( 0.5011351 0.4995981 0.3664588), wk = 0.0030581 k( 259) = ( 0.5011742 0.4996371 0.3792009), wk = 0.0030581 k( 260) = ( 0.5012134 0.4996761 0.3919430), wk = 0.0030581 k( 261) = ( 0.5012525 0.4997151 0.4046851), wk = 0.0030581 k( 262) = ( 0.5012917 0.4997542 0.4174272), wk = 0.0030581 k( 263) = ( 0.5013308 0.4997932 0.4301694), wk = 0.0030581 k( 264) = ( 0.5013699 0.4998322 0.4429115), wk = 0.0030581 k( 265) = ( 0.5014091 0.4998712 0.4556536), wk = 0.0030581 k( 266) = ( 0.5014482 0.4999103 0.4683957), wk = 0.0030581 k( 267) = ( 0.5014874 0.4999493 0.4811378), wk = 0.0030581 k( 268) = ( 0.5015265 0.4999883 0.4938799), wk = 0.0030581 k( 269) = ( 0.5015265 0.4999883 0.4938799), wk = 0.0030581 k( 270) = ( 0.5000000 0.4984665 0.4969423), wk = 0.0030581 k( 271) = ( 0.5000000 -0.0015359 -0.0015312), wk = 0.0030581 k( 272) = ( 0.5000545 0.0073653 0.0073428), wk = 0.0030581 k( 273) = ( 0.5001090 0.0162665 0.0162167), wk = 0.0030581 k( 274) = ( 0.5001636 0.0251677 0.0250907), wk = 0.0030581 k( 275) = ( 0.5002181 0.0340689 0.0339647), wk = 0.0030581 k( 276) = ( 0.5002726 0.0429700 0.0428386), wk = 0.0030581 k( 277) = ( 0.5003271 0.0518712 0.0517126), wk = 0.0030581 k( 278) = ( 0.5003816 0.0607724 0.0605866), wk = 0.0030581 k( 279) = ( 0.5004361 0.0696736 0.0694606), wk = 0.0030581 k( 280) = ( 0.5004907 0.0785748 0.0783345), wk = 0.0030581 k( 281) = ( 0.5005452 0.0874760 0.0872085), wk = 0.0030581 k( 282) = ( 0.5005997 0.0963772 0.0960825), wk = 0.0030581 k( 283) = ( 0.5006542 0.1052783 0.1049564), wk = 0.0030581 k( 284) = ( 0.5007087 0.1141795 0.1138304), wk = 0.0030581 k( 285) = ( 0.5007632 0.1230807 0.1227044), wk = 0.0030581 k( 286) = ( 0.5008178 0.1319819 0.1315784), wk = 0.0030581 k( 287) = ( 0.5008723 0.1408831 0.1404523), wk = 0.0030581 k( 288) = ( 0.5009268 0.1497843 0.1493263), wk = 0.0030581 k( 289) = ( 0.5009813 0.1586855 0.1582003), wk = 0.0030581 k( 290) = ( 0.5010358 0.1675867 0.1670742), wk = 0.0030581 k( 291) = ( 0.5010904 0.1764878 0.1759482), wk = 0.0030581 k( 292) = ( 0.5011449 0.1853890 0.1848222), wk = 0.0030581 k( 293) = ( 0.5011994 0.1942902 0.1936961), wk = 0.0030581 k( 294) = ( 0.5012539 0.2031914 0.2025701), wk = 0.0030581 k( 295) = ( 0.5013084 0.2120926 0.2114441), wk = 0.0030581 k( 296) = ( 0.5013629 0.2209938 0.2203180), wk = 0.0030581 k( 297) = ( 0.5014175 0.2298950 0.2291920), wk = 0.0030581 k( 298) = ( 0.5014720 0.2387961 0.2380660), wk = 0.0030581 k( 299) = ( 0.5015265 0.2476973 0.2469400), wk = 0.0030581 k( 300) = ( 0.5015810 0.2565985 0.2558139), wk = 0.0030581 k( 301) = ( 0.5016356 0.2654997 0.2646879), wk = 0.0030581 k( 302) = ( 0.5016901 0.2744009 0.2735619), wk = 0.0030581 k( 303) = ( 0.5017446 0.2833021 0.2824358), wk = 0.0030581 k( 304) = ( 0.5017991 0.2922033 0.2913098), wk = 0.0030581 k( 305) = ( 0.5018536 0.3011045 0.3001838), wk = 0.0030581 k( 306) = ( 0.5019081 0.3100056 0.3090577), wk = 0.0030581 k( 307) = ( 0.5019626 0.3189068 0.3179317), wk = 0.0030581 k( 308) = ( 0.5020172 0.3278080 0.3268057), wk = 0.0030581 k( 309) = ( 0.5020717 0.3367092 0.3356797), wk = 0.0030581 k( 310) = ( 0.5021262 0.3456104 0.3445536), wk = 0.0030581 k( 311) = ( 0.5021807 0.3545116 0.3534276), wk = 0.0030581 k( 312) = ( 0.5022353 0.3634128 0.3623016), wk = 0.0030581 k( 313) = ( 0.5022898 0.3723140 0.3711755), wk = 0.0030581 k( 314) = ( 0.5023443 0.3812151 0.3800495), wk = 0.0030581 k( 315) = ( 0.5023988 0.3901163 0.3889235), wk = 0.0030581 k( 316) = ( 0.5024533 0.3990175 0.3977974), wk = 0.0030581 k( 317) = ( 0.5025078 0.4079187 0.4066714), wk = 0.0030581 k( 318) = ( 0.5025624 0.4168199 0.4155454), wk = 0.0030581 k( 319) = ( 0.5026169 0.4257211 0.4244193), wk = 0.0030581 k( 320) = ( 0.5026714 0.4346223 0.4332933), wk = 0.0030581 k( 321) = ( 0.5027259 0.4435235 0.4421673), wk = 0.0030581 k( 322) = ( 0.5027804 0.4524246 0.4510413), wk = 0.0030581 k( 323) = ( 0.5028350 0.4613258 0.4599152), wk = 0.0030581 k( 324) = ( 0.5028895 0.4702270 0.4687892), wk = 0.0030581 k( 325) = ( 0.5029440 0.4791282 0.4776632), wk = 0.0030581 k( 326) = ( 0.5029985 0.4880294 0.4865371), wk = 0.0030581 k( 327) = ( 0.5030530 0.4969306 0.4954111), wk = 0.0030581 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 2) = ( 0.0125000 0.0000000 0.0000000), wk = 0.0030581 k( 3) = ( 0.0250000 0.0000000 0.0000000), wk = 0.0030581 k( 4) = ( 0.0375000 0.0000000 -0.0000000), wk = 0.0030581 k( 5) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0030581 k( 6) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0030581 k( 7) = ( 0.0750000 0.0000000 -0.0000000), wk = 0.0030581 k( 8) = ( 0.0875000 0.0000000 -0.0000000), wk = 0.0030581 k( 9) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0030581 k( 10) = ( 0.1125000 0.0000000 0.0000000), wk = 0.0030581 k( 11) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0030581 k( 12) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0030581 k( 13) = ( 0.1500000 0.0000000 -0.0000000), wk = 0.0030581 k( 14) = ( 0.1625000 0.0000000 -0.0000000), wk = 0.0030581 k( 15) = ( 0.1750000 0.0000000 -0.0000000), wk = 0.0030581 k( 16) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0030581 k( 17) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0030581 k( 18) = ( 0.2125000 0.0000000 0.0000000), wk = 0.0030581 k( 19) = ( 0.2250000 0.0000000 0.0000000), wk = 0.0030581 k( 20) = ( 0.2375000 0.0000000 0.0000000), wk = 0.0030581 k( 21) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0030581 k( 22) = ( 0.2625000 0.0000000 -0.0000000), wk = 0.0030581 k( 23) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0030581 k( 24) = ( 0.2875000 0.0000000 0.0000000), wk = 0.0030581 k( 25) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0030581 k( 26) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0030581 k( 27) = ( 0.3250000 0.0000000 -0.0000000), wk = 0.0030581 k( 28) = ( 0.3375000 0.0000000 0.0000000), wk = 0.0030581 k( 29) = ( 0.3500000 0.0000000 -0.0000000), wk = 0.0030581 k( 30) = ( 0.3625000 0.0000000 0.0000000), wk = 0.0030581 k( 31) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0030581 k( 32) = ( 0.3875000 0.0000000 0.0000000), wk = 0.0030581 k( 33) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0030581 k( 34) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0030581 k( 35) = ( 0.4250000 0.0000000 0.0000000), wk = 0.0030581 k( 36) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0030581 k( 37) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0030581 k( 38) = ( 0.4625000 0.0000000 0.0000000), wk = 0.0030581 k( 39) = ( 0.4750000 0.0000000 0.0000000), wk = 0.0030581 k( 40) = ( 0.4875000 0.0000000 -0.0000000), wk = 0.0030581 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030581 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030581 k( 43) = ( 0.5000000 0.0088740 -0.0088740), wk = 0.0030581 k( 44) = ( 0.5000000 0.0177481 -0.0177481), wk = 0.0030581 k( 45) = ( 0.5000000 0.0266222 -0.0266222), wk = 0.0030581 k( 46) = ( 0.5000000 0.0354962 -0.0354962), wk = 0.0030581 k( 47) = ( 0.5000000 0.0443703 -0.0443703), wk = 0.0030581 k( 48) = ( 0.5000000 0.0532443 -0.0532443), wk = 0.0030581 k( 49) = ( 0.5000000 0.0621184 -0.0621184), wk = 0.0030581 k( 50) = ( 0.5000000 0.0709924 -0.0709924), wk = 0.0030581 k( 51) = ( 0.5000000 0.0798665 -0.0798665), wk = 0.0030581 k( 52) = ( 0.5000000 0.0887405 -0.0887405), wk = 0.0030581 k( 53) = ( 0.5000000 0.0976146 -0.0976146), wk = 0.0030581 k( 54) = ( 0.5000000 0.1064886 -0.1064886), wk = 0.0030581 k( 55) = ( 0.5000000 0.1153627 -0.1153627), wk = 0.0030581 k( 56) = ( 0.5000000 0.1242368 -0.1242367), wk = 0.0030581 k( 57) = ( 0.5000000 0.1331108 -0.1331108), wk = 0.0030581 k( 58) = ( 0.5000000 0.1419848 -0.1419848), wk = 0.0030581 k( 59) = ( 0.5000000 0.1508589 -0.1508589), wk = 0.0030581 k( 60) = ( 0.5000000 0.1597330 -0.1597330), wk = 0.0030581 k( 61) = ( 0.5000000 0.1686070 -0.1686070), wk = 0.0030581 k( 62) = ( 0.5000000 0.1774811 -0.1774811), wk = 0.0030581 k( 63) = ( 0.5000000 0.1863551 -0.1863551), wk = 0.0030581 k( 64) = ( 0.5000000 0.1952292 -0.1952292), wk = 0.0030581 k( 65) = ( 0.5000000 0.2041032 -0.2041032), wk = 0.0030581 k( 66) = ( 0.5000000 0.2129773 -0.2129773), wk = 0.0030581 k( 67) = ( 0.5000000 0.2218513 -0.2218513), wk = 0.0030581 k( 68) = ( 0.5000000 0.2307254 -0.2307254), wk = 0.0030581 k( 69) = ( 0.5000000 0.2395994 -0.2395994), wk = 0.0030581 k( 70) = ( 0.5000000 0.2484735 -0.2484735), wk = 0.0030581 k( 71) = ( 0.5000000 0.2573475 -0.2573475), wk = 0.0030581 k( 72) = ( 0.5000000 0.2662216 -0.2662216), wk = 0.0030581 k( 73) = ( 0.5000000 0.2750956 -0.2750957), wk = 0.0030581 k( 74) = ( 0.5000000 0.2839697 -0.2839697), wk = 0.0030581 k( 75) = ( 0.5000000 0.2928438 -0.2928438), wk = 0.0030581 k( 76) = ( 0.5000000 0.3017178 -0.3017178), wk = 0.0030581 k( 77) = ( 0.5000000 0.3105919 -0.3105919), wk = 0.0030581 k( 78) = ( 0.5000000 0.3194659 -0.3194659), wk = 0.0030581 k( 79) = ( 0.5000000 0.3283400 -0.3283400), wk = 0.0030581 k( 80) = ( 0.5000000 0.3372140 -0.3372140), wk = 0.0030581 k( 81) = ( 0.5000000 0.3460881 -0.3460881), wk = 0.0030581 k( 82) = ( 0.5000000 0.3549621 -0.3549621), wk = 0.0030581 k( 83) = ( 0.5000000 0.3638362 -0.3638362), wk = 0.0030581 k( 84) = ( 0.5000000 0.3727102 -0.3727102), wk = 0.0030581 k( 85) = ( 0.5000000 0.3815843 -0.3815843), wk = 0.0030581 k( 86) = ( 0.5000000 0.3904583 -0.3904583), wk = 0.0030581 k( 87) = ( 0.5000000 0.3993324 -0.3993324), wk = 0.0030581 k( 88) = ( 0.5000000 0.4082064 -0.4082064), wk = 0.0030581 k( 89) = ( 0.5000000 0.4170805 -0.4170805), wk = 0.0030581 k( 90) = ( 0.5000000 0.4259546 -0.4259546), wk = 0.0030581 k( 91) = ( 0.5000000 0.4348286 -0.4348286), wk = 0.0030581 k( 92) = ( 0.5000000 0.4437027 -0.4437027), wk = 0.0030581 k( 93) = ( 0.5000000 0.4525767 -0.4525767), wk = 0.0030581 k( 94) = ( 0.5000000 0.4614508 -0.4614508), wk = 0.0030581 k( 95) = ( 0.5000000 0.4703248 -0.4703248), wk = 0.0030581 k( 96) = ( 0.5000000 0.4791989 -0.4791989), wk = 0.0030581 k( 97) = ( 0.5000000 0.4880729 -0.4880729), wk = 0.0030581 k( 98) = ( 0.5000000 0.4969470 -0.4969470), wk = 0.0030581 k( 99) = ( 0.5030530 0.5000000 0.4969470), wk = 0.0030581 k( 100) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030581 k( 101) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030581 k( 102) = ( 0.4926471 0.4926471 0.4926471), wk = 0.0030581 k( 103) = ( 0.4852941 0.4852941 0.4852941), wk = 0.0030581 k( 104) = ( 0.4779412 0.4779412 0.4779412), wk = 0.0030581 k( 105) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0030581 k( 106) = ( 0.4632353 0.4632353 0.4632353), wk = 0.0030581 k( 107) = ( 0.4558823 0.4558824 0.4558823), wk = 0.0030581 k( 108) = ( 0.4485294 0.4485294 0.4485294), wk = 0.0030581 k( 109) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0030581 k( 110) = ( 0.4338235 0.4338235 0.4338235), wk = 0.0030581 k( 111) = ( 0.4264706 0.4264706 0.4264706), wk = 0.0030581 k( 112) = ( 0.4191177 0.4191177 0.4191177), wk = 0.0030581 k( 113) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0030581 k( 114) = ( 0.4044118 0.4044118 0.4044118), wk = 0.0030581 k( 115) = ( 0.3970588 0.3970588 0.3970588), wk = 0.0030581 k( 116) = ( 0.3897059 0.3897059 0.3897059), wk = 0.0030581 k( 117) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0030581 k( 118) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0030581 k( 119) = ( 0.3676471 0.3676471 0.3676471), wk = 0.0030581 k( 120) = ( 0.3602941 0.3602941 0.3602941), wk = 0.0030581 k( 121) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0030581 k( 122) = ( 0.3455882 0.3455882 0.3455882), wk = 0.0030581 k( 123) = ( 0.3382353 0.3382353 0.3382353), wk = 0.0030581 k( 124) = ( 0.3308823 0.3308823 0.3308823), wk = 0.0030581 k( 125) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0030581 k( 126) = ( 0.3161765 0.3161765 0.3161765), wk = 0.0030581 k( 127) = ( 0.3088235 0.3088235 0.3088235), wk = 0.0030581 k( 128) = ( 0.3014706 0.3014706 0.3014706), wk = 0.0030581 k( 129) = ( 0.2941177 0.2941177 0.2941177), wk = 0.0030581 k( 130) = ( 0.2867647 0.2867647 0.2867647), wk = 0.0030581 k( 131) = ( 0.2794118 0.2794118 0.2794118), wk = 0.0030581 k( 132) = ( 0.2720588 0.2720588 0.2720588), wk = 0.0030581 k( 133) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0030581 k( 134) = ( 0.2573529 0.2573529 0.2573529), wk = 0.0030581 k( 135) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030581 k( 136) = ( 0.2426471 0.2426471 0.2426471), wk = 0.0030581 k( 137) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0030581 k( 138) = ( 0.2279412 0.2279412 0.2279412), wk = 0.0030581 k( 139) = ( 0.2205882 0.2205882 0.2205882), wk = 0.0030581 k( 140) = ( 0.2132353 0.2132353 0.2132353), wk = 0.0030581 k( 141) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0030581 k( 142) = ( 0.1985294 0.1985294 0.1985294), wk = 0.0030581 k( 143) = ( 0.1911765 0.1911765 0.1911765), wk = 0.0030581 k( 144) = ( 0.1838235 0.1838235 0.1838235), wk = 0.0030581 k( 145) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0030581 k( 146) = ( 0.1691177 0.1691177 0.1691176), wk = 0.0030581 k( 147) = ( 0.1617647 0.1617647 0.1617647), wk = 0.0030581 k( 148) = ( 0.1544118 0.1544118 0.1544118), wk = 0.0030581 k( 149) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0030581 k( 150) = ( 0.1397059 0.1397059 0.1397059), wk = 0.0030581 k( 151) = ( 0.1323529 0.1323529 0.1323529), wk = 0.0030581 k( 152) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0030581 k( 153) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0030581 k( 154) = ( 0.1102941 0.1102941 0.1102941), wk = 0.0030581 k( 155) = ( 0.1029412 0.1029412 0.1029412), wk = 0.0030581 k( 156) = ( 0.0955882 0.0955882 0.0955882), wk = 0.0030581 k( 157) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0030581 k( 158) = ( 0.0808824 0.0808824 0.0808824), wk = 0.0030581 k( 159) = ( 0.0735294 0.0735294 0.0735294), wk = 0.0030581 k( 160) = ( 0.0661765 0.0661765 0.0661765), wk = 0.0030581 k( 161) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0030581 k( 162) = ( 0.0514706 0.0514706 0.0514706), wk = 0.0030581 k( 163) = ( 0.0441177 0.0441177 0.0441176), wk = 0.0030581 k( 164) = ( 0.0367647 0.0367647 0.0367647), wk = 0.0030581 k( 165) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0030581 k( 166) = ( 0.0220588 0.0220588 0.0220588), wk = 0.0030581 k( 167) = ( 0.0147059 0.0147059 0.0147059), wk = 0.0030581 k( 168) = ( 0.0073529 0.0073529 0.0073529), wk = 0.0030581 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030581 k( 171) = ( 0.0089013 0.0000000 -0.0089013), wk = 0.0030581 k( 172) = ( 0.0178026 0.0000000 -0.0178026), wk = 0.0030581 k( 173) = ( 0.0267039 0.0000000 -0.0267039), wk = 0.0030581 k( 174) = ( 0.0356052 0.0000000 -0.0356052), wk = 0.0030581 k( 175) = ( 0.0445066 0.0000000 -0.0445066), wk = 0.0030581 k( 176) = ( 0.0534079 0.0000000 -0.0534079), wk = 0.0030581 k( 177) = ( 0.0623092 0.0000000 -0.0623092), wk = 0.0030581 k( 178) = ( 0.0712105 0.0000000 -0.0712105), wk = 0.0030581 k( 179) = ( 0.0801118 0.0000000 -0.0801118), wk = 0.0030581 k( 180) = ( 0.0890131 0.0000000 -0.0890131), wk = 0.0030581 k( 181) = ( 0.0979144 0.0000000 -0.0979144), wk = 0.0030581 k( 182) = ( 0.1068158 0.0000000 -0.1068158), wk = 0.0030581 k( 183) = ( 0.1157171 0.0000000 -0.1157171), wk = 0.0030581 k( 184) = ( 0.1246184 0.0000000 -0.1246184), wk = 0.0030581 k( 185) = ( 0.1335197 0.0000000 -0.1335197), wk = 0.0030581 k( 186) = ( 0.1424210 0.0000000 -0.1424210), wk = 0.0030581 k( 187) = ( 0.1513223 0.0000000 -0.1513223), wk = 0.0030581 k( 188) = ( 0.1602236 0.0000000 -0.1602236), wk = 0.0030581 k( 189) = ( 0.1691249 0.0000000 -0.1691249), wk = 0.0030581 k( 190) = ( 0.1780262 0.0000000 -0.1780262), wk = 0.0030581 k( 191) = ( 0.1869276 0.0000000 -0.1869276), wk = 0.0030581 k( 192) = ( 0.1958289 0.0000000 -0.1958289), wk = 0.0030581 k( 193) = ( 0.2047302 0.0000000 -0.2047302), wk = 0.0030581 k( 194) = ( 0.2136315 0.0000000 -0.2136315), wk = 0.0030581 k( 195) = ( 0.2225328 0.0000000 -0.2225328), wk = 0.0030581 k( 196) = ( 0.2314341 0.0000000 -0.2314341), wk = 0.0030581 k( 197) = ( 0.2403354 0.0000000 -0.2403354), wk = 0.0030581 k( 198) = ( 0.2492368 0.0000000 -0.2492368), wk = 0.0030581 k( 199) = ( 0.2581381 0.0000000 -0.2581381), wk = 0.0030581 k( 200) = ( 0.2670394 0.0000000 -0.2670394), wk = 0.0030581 k( 201) = ( 0.2759407 0.0000000 -0.2759407), wk = 0.0030581 k( 202) = ( 0.2848420 0.0000000 -0.2848420), wk = 0.0030581 k( 203) = ( 0.2937433 0.0000000 -0.2937433), wk = 0.0030581 k( 204) = ( 0.3026446 0.0000000 -0.3026446), wk = 0.0030581 k( 205) = ( 0.3115459 0.0000000 -0.3115459), wk = 0.0030581 k( 206) = ( 0.3204472 0.0000000 -0.3204472), wk = 0.0030581 k( 207) = ( 0.3293486 0.0000000 -0.3293486), wk = 0.0030581 k( 208) = ( 0.3382499 0.0000000 -0.3382499), wk = 0.0030581 k( 209) = ( 0.3471512 0.0000000 -0.3471512), wk = 0.0030581 k( 210) = ( 0.3560525 0.0000000 -0.3560525), wk = 0.0030581 k( 211) = ( 0.3649538 0.0000000 -0.3649538), wk = 0.0030581 k( 212) = ( 0.3738551 0.0000000 -0.3738551), wk = 0.0030581 k( 213) = ( 0.3827564 0.0000000 -0.3827564), wk = 0.0030581 k( 214) = ( 0.3916577 0.0000000 -0.3916577), wk = 0.0030581 k( 215) = ( 0.4005591 0.0000000 -0.4005591), wk = 0.0030581 k( 216) = ( 0.4094604 0.0000000 -0.4094604), wk = 0.0030581 k( 217) = ( 0.4183617 0.0000000 -0.4183617), wk = 0.0030581 k( 218) = ( 0.4272630 0.0000000 -0.4272630), wk = 0.0030581 k( 219) = ( 0.4361643 0.0000000 -0.4361643), wk = 0.0030581 k( 220) = ( 0.4450656 0.0000000 -0.4450656), wk = 0.0030581 k( 221) = ( 0.4539669 0.0000000 -0.4539669), wk = 0.0030581 k( 222) = ( 0.4628682 0.0000000 -0.4628682), wk = 0.0030581 k( 223) = ( 0.4717695 0.0000000 -0.4717695), wk = 0.0030581 k( 224) = ( 0.4806709 0.0000000 -0.4806709), wk = 0.0030581 k( 225) = ( 0.4895722 0.0000000 -0.4895722), wk = 0.0030581 k( 226) = ( 0.4984735 0.0000000 -0.4984735), wk = 0.0030581 k( 227) = ( 0.5015265 0.4984735 0.0000000), wk = 0.0030581 k( 228) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030581 k( 229) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030581 k( 230) = ( 0.5000391 0.5000391 0.0127422), wk = 0.0030581 k( 231) = ( 0.5000783 0.5000783 0.0254845), wk = 0.0030581 k( 232) = ( 0.5001174 0.5001174 0.0382267), wk = 0.0030581 k( 233) = ( 0.5001566 0.5001566 0.0509689), wk = 0.0030581 k( 234) = ( 0.5001957 0.5001957 0.0637111), wk = 0.0030581 k( 235) = ( 0.5002349 0.5002349 0.0764534), wk = 0.0030581 k( 236) = ( 0.5002740 0.5002740 0.0891956), wk = 0.0030581 k( 237) = ( 0.5003131 0.5003131 0.1019378), wk = 0.0030581 k( 238) = ( 0.5003523 0.5003523 0.1146801), wk = 0.0030581 k( 239) = ( 0.5003914 0.5003914 0.1274223), wk = 0.0030581 k( 240) = ( 0.5004306 0.5004306 0.1401645), wk = 0.0030581 k( 241) = ( 0.5004697 0.5004697 0.1529068), wk = 0.0030581 k( 242) = ( 0.5005088 0.5005088 0.1656490), wk = 0.0030581 k( 243) = ( 0.5005480 0.5005480 0.1783912), wk = 0.0030581 k( 244) = ( 0.5005871 0.5005871 0.1911335), wk = 0.0030581 k( 245) = ( 0.5006263 0.5006263 0.2038757), wk = 0.0030581 k( 246) = ( 0.5006654 0.5006654 0.2166179), wk = 0.0030581 k( 247) = ( 0.5007045 0.5007045 0.2293602), wk = 0.0030581 k( 248) = ( 0.5007437 0.5007437 0.2421024), wk = 0.0030581 k( 249) = ( 0.5007828 0.5007828 0.2548446), wk = 0.0030581 k( 250) = ( 0.5008220 0.5008220 0.2675868), wk = 0.0030581 k( 251) = ( 0.5008611 0.5008611 0.2803291), wk = 0.0030581 k( 252) = ( 0.5009003 0.5009003 0.2930713), wk = 0.0030581 k( 253) = ( 0.5009394 0.5009394 0.3058135), wk = 0.0030581 k( 254) = ( 0.5009785 0.5009785 0.3185558), wk = 0.0030581 k( 255) = ( 0.5010177 0.5010177 0.3312980), wk = 0.0030581 k( 256) = ( 0.5010568 0.5010568 0.3440402), wk = 0.0030581 k( 257) = ( 0.5010960 0.5010960 0.3567824), wk = 0.0030581 k( 258) = ( 0.5011351 0.5011351 0.3695247), wk = 0.0030581 k( 259) = ( 0.5011742 0.5011742 0.3822669), wk = 0.0030581 k( 260) = ( 0.5012134 0.5012134 0.3950091), wk = 0.0030581 k( 261) = ( 0.5012525 0.5012525 0.4077514), wk = 0.0030581 k( 262) = ( 0.5012917 0.5012917 0.4204936), wk = 0.0030581 k( 263) = ( 0.5013308 0.5013308 0.4332358), wk = 0.0030581 k( 264) = ( 0.5013699 0.5013699 0.4459781), wk = 0.0030581 k( 265) = ( 0.5014091 0.5014091 0.4587203), wk = 0.0030581 k( 266) = ( 0.5014482 0.5014482 0.4714625), wk = 0.0030581 k( 267) = ( 0.5014874 0.5014874 0.4842048), wk = 0.0030581 k( 268) = ( 0.5015265 0.5015265 0.4969470), wk = 0.0030581 k( 269) = ( 0.5015265 0.5015265 0.4969470), wk = 0.0030581 k( 270) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030581 k( 271) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030581 k( 272) = ( 0.5000545 0.0089013 0.0089013), wk = 0.0030581 k( 273) = ( 0.5001090 0.0178026 0.0178026), wk = 0.0030581 k( 274) = ( 0.5001636 0.0267039 0.0267039), wk = 0.0030581 k( 275) = ( 0.5002181 0.0356052 0.0356052), wk = 0.0030581 k( 276) = ( 0.5002726 0.0445066 0.0445066), wk = 0.0030581 k( 277) = ( 0.5003271 0.0534079 0.0534079), wk = 0.0030581 k( 278) = ( 0.5003816 0.0623092 0.0623092), wk = 0.0030581 k( 279) = ( 0.5004361 0.0712105 0.0712105), wk = 0.0030581 k( 280) = ( 0.5004907 0.0801118 0.0801118), wk = 0.0030581 k( 281) = ( 0.5005452 0.0890131 0.0890131), wk = 0.0030581 k( 282) = ( 0.5005997 0.0979144 0.0979144), wk = 0.0030581 k( 283) = ( 0.5006542 0.1068158 0.1068157), wk = 0.0030581 k( 284) = ( 0.5007087 0.1157171 0.1157171), wk = 0.0030581 k( 285) = ( 0.5007632 0.1246184 0.1246184), wk = 0.0030581 k( 286) = ( 0.5008178 0.1335197 0.1335197), wk = 0.0030581 k( 287) = ( 0.5008723 0.1424210 0.1424210), wk = 0.0030581 k( 288) = ( 0.5009268 0.1513223 0.1513223), wk = 0.0030581 k( 289) = ( 0.5009813 0.1602236 0.1602236), wk = 0.0030581 k( 290) = ( 0.5010358 0.1691249 0.1691249), wk = 0.0030581 k( 291) = ( 0.5010904 0.1780262 0.1780262), wk = 0.0030581 k( 292) = ( 0.5011449 0.1869276 0.1869276), wk = 0.0030581 k( 293) = ( 0.5011994 0.1958289 0.1958289), wk = 0.0030581 k( 294) = ( 0.5012539 0.2047302 0.2047302), wk = 0.0030581 k( 295) = ( 0.5013084 0.2136315 0.2136315), wk = 0.0030581 k( 296) = ( 0.5013629 0.2225328 0.2225328), wk = 0.0030581 k( 297) = ( 0.5014175 0.2314341 0.2314341), wk = 0.0030581 k( 298) = ( 0.5014720 0.2403354 0.2403354), wk = 0.0030581 k( 299) = ( 0.5015265 0.2492367 0.2492367), wk = 0.0030581 k( 300) = ( 0.5015810 0.2581381 0.2581381), wk = 0.0030581 k( 301) = ( 0.5016356 0.2670394 0.2670394), wk = 0.0030581 k( 302) = ( 0.5016901 0.2759407 0.2759407), wk = 0.0030581 k( 303) = ( 0.5017446 0.2848420 0.2848420), wk = 0.0030581 k( 304) = ( 0.5017991 0.2937433 0.2937433), wk = 0.0030581 k( 305) = ( 0.5018536 0.3026446 0.3026446), wk = 0.0030581 k( 306) = ( 0.5019081 0.3115459 0.3115459), wk = 0.0030581 k( 307) = ( 0.5019626 0.3204472 0.3204472), wk = 0.0030581 k( 308) = ( 0.5020172 0.3293486 0.3293486), wk = 0.0030581 k( 309) = ( 0.5020717 0.3382499 0.3382499), wk = 0.0030581 k( 310) = ( 0.5021262 0.3471512 0.3471512), wk = 0.0030581 k( 311) = ( 0.5021807 0.3560525 0.3560525), wk = 0.0030581 k( 312) = ( 0.5022353 0.3649538 0.3649538), wk = 0.0030581 k( 313) = ( 0.5022898 0.3738551 0.3738551), wk = 0.0030581 k( 314) = ( 0.5023443 0.3827564 0.3827564), wk = 0.0030581 k( 315) = ( 0.5023988 0.3916577 0.3916577), wk = 0.0030581 k( 316) = ( 0.5024533 0.4005591 0.4005591), wk = 0.0030581 k( 317) = ( 0.5025078 0.4094604 0.4094604), wk = 0.0030581 k( 318) = ( 0.5025624 0.4183617 0.4183617), wk = 0.0030581 k( 319) = ( 0.5026169 0.4272630 0.4272630), wk = 0.0030581 k( 320) = ( 0.5026714 0.4361643 0.4361643), wk = 0.0030581 k( 321) = ( 0.5027259 0.4450656 0.4450656), wk = 0.0030581 k( 322) = ( 0.5027804 0.4539669 0.4539669), wk = 0.0030581 k( 323) = ( 0.5028350 0.4628682 0.4628682), wk = 0.0030581 k( 324) = ( 0.5028895 0.4717695 0.4717695), wk = 0.0030581 k( 325) = ( 0.5029440 0.4806709 0.4806709), wk = 0.0030581 k( 326) = ( 0.5029985 0.4895722 0.4895722), wk = 0.0030581 k( 327) = ( 0.5030530 0.4984735 0.4984735), wk = 0.0030581 Dense grid: 43045 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 19591 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 102, 48) NL pseudopotentials 0.09 Mb ( 51, 110) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.01 Mb ( 898) G-vector shells 0.01 Mb ( 757) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.30 Mb ( 102, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.16 Mb ( 110, 2, 48) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./KNbO3.save/charge-density.dat Starting wfc are 66 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 44.6 secs Computing kpt #: 2 total cpu time spent up to now is 47.2 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 50.3 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 53.3 secs Computing kpt #: 5 total cpu time spent up to now is 55.8 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 60.4 secs Computing kpt #: 8 total cpu time spent up to now is 62.0 secs Computing kpt #: 9 total cpu time spent up to now is 63.8 secs Computing kpt #: 10 total cpu time spent up to now is 65.3 secs Computing kpt #: 11 total cpu time spent up to now is 67.3 secs Computing kpt #: 12 total cpu time spent up to now is 68.8 secs Computing kpt #: 13 total cpu time spent up to now is 70.1 secs Computing kpt #: 14 total cpu time spent up to now is 71.5 secs Computing kpt #: 15 total cpu time spent up to now is 73.1 secs Computing kpt #: 16 total cpu time spent up to now is 74.6 secs Computing kpt #: 17 total cpu time spent up to now is 76.2 secs Computing kpt #: 18 total cpu time spent up to now is 77.4 secs Computing kpt #: 19 total cpu time spent up to now is 78.9 secs Computing kpt #: 20 total cpu time spent up to now is 80.2 secs Computing kpt #: 21 total cpu time spent up to now is 81.4 secs Computing kpt #: 22 total cpu time spent up to now is 82.5 secs Computing kpt #: 23 total cpu time spent up to now is 83.7 secs Computing kpt #: 24 total cpu time spent up to now is 84.9 secs Computing kpt #: 25 total cpu time spent up to now is 86.1 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 88.2 secs Computing kpt #: 28 total cpu time spent up to now is 89.4 secs Computing kpt #: 29 total cpu time spent up to now is 90.5 secs Computing kpt #: 30 total cpu time spent up to now is 91.7 secs Computing kpt #: 31 total cpu time spent up to now is 92.6 secs Computing kpt #: 32 total cpu time spent up to now is 93.8 secs Computing kpt #: 33 total cpu time spent up to now is 95.0 secs Computing kpt #: 34 total cpu time spent up to now is 95.9 secs Computing kpt #: 35 total cpu time spent up to now is 97.3 secs Computing kpt #: 36 total cpu time spent up to now is 98.4 secs Computing kpt #: 37 total cpu time spent up to now is 99.6 secs Computing kpt #: 38 total cpu time spent up to now is 100.6 secs Computing kpt #: 39 total cpu time spent up to now is 101.5 secs Computing kpt #: 40 total cpu time spent up to now is 102.4 secs Computing kpt #: 41 total cpu time spent up to now is 103.4 secs Computing kpt #: 42 total cpu time spent up to now is 104.3 secs Computing kpt #: 43 total cpu time spent up to now is 105.3 secs Computing kpt #: 44 total cpu time spent up to now is 106.4 secs Computing kpt #: 45 total cpu time spent up to now is 107.5 secs Computing kpt #: 46 total cpu time spent up to now is 108.6 secs Computing kpt #: 47 total cpu time spent up to now is 109.7 secs Computing kpt #: 48 total cpu time spent up to now is 111.5 secs Computing kpt #: 49 total cpu time spent up to now is 112.6 secs Computing kpt #: 50 total cpu time spent up to now is 113.6 secs Computing kpt #: 51 total cpu time spent up to now is 114.6 secs Computing kpt #: 52 total cpu time spent up to now is 116.0 secs Computing kpt #: 53 total cpu time spent up to now is 117.1 secs Computing kpt #: 54 total cpu time spent up to now is 118.1 secs Computing kpt #: 55 total cpu time spent up to now is 119.3 secs Computing kpt #: 56 total cpu time spent up to now is 120.3 secs Computing kpt #: 57 total cpu time spent up to now is 121.3 secs Computing kpt #: 58 total cpu time spent up to now is 122.3 secs Computing kpt #: 59 total cpu time spent up to now is 123.3 secs Computing kpt #: 60 total cpu time spent up to now is 124.3 secs Computing kpt #: 61 total cpu time spent up to now is 125.2 secs Computing kpt #: 62 total cpu time spent up to now is 126.1 secs Computing kpt #: 63 total cpu time spent up to now is 127.3 secs Computing kpt #: 64 total cpu time spent up to now is 128.3 secs Computing kpt #: 65 total cpu time spent up to now is 129.3 secs Computing kpt #: 66 total cpu time spent up to now is 130.5 secs Computing kpt #: 67 total cpu time spent up to now is 131.5 secs Computing kpt #: 68 total cpu time spent up to now is 132.7 secs Computing kpt #: 69 total cpu time spent up to now is 133.9 secs Computing kpt #: 70 total cpu time spent up to now is 135.1 secs Computing kpt #: 71 total cpu time spent up to now is 136.2 secs Computing kpt #: 72 total cpu time spent up to now is 137.4 secs Computing kpt #: 73 total cpu time spent up to now is 138.9 secs Computing kpt #: 74 total cpu time spent up to now is 140.2 secs Computing kpt #: 75 total cpu time spent up to now is 141.6 secs Computing kpt #: 76 total cpu time spent up to now is 142.9 secs Computing kpt #: 77 total cpu time spent up to now is 144.3 secs Computing kpt #: 78 total cpu time spent up to now is 145.7 secs Computing kpt #: 79 total cpu time spent up to now is 147.0 secs Computing kpt #: 80 total cpu time spent up to now is 148.6 secs Computing kpt #: 81 total cpu time spent up to now is 150.2 secs Computing kpt #: 82 total cpu time spent up to now is 151.7 secs Computing kpt #: 83 total cpu time spent up to now is 153.1 secs Computing kpt #: 84 total cpu time spent up to now is 154.6 secs Computing kpt #: 85 total cpu time spent up to now is 156.3 secs Computing kpt #: 86 total cpu time spent up to now is 158.5 secs Computing kpt #: 87 total cpu time spent up to now is 160.7 secs Computing kpt #: 88 total cpu time spent up to now is 162.6 secs Computing kpt #: 89 total cpu time spent up to now is 164.0 secs Computing kpt #: 90 total cpu time spent up to now is 165.9 secs Computing kpt #: 91 total cpu time spent up to now is 167.8 secs Computing kpt #: 92 total cpu time spent up to now is 169.8 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 172.7 secs Computing kpt #: 94 total cpu time spent up to now is 175.0 secs Computing kpt #: 95 total cpu time spent up to now is 177.0 secs Computing kpt #: 96 total cpu time spent up to now is 179.4 secs Computing kpt #: 97 total cpu time spent up to now is 181.6 secs Computing kpt #: 98 total cpu time spent up to now is 183.7 secs Computing kpt #: 99 total cpu time spent up to now is 186.1 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 188.8 secs Computing kpt #: 101 total cpu time spent up to now is 190.9 secs Computing kpt #: 102 total cpu time spent up to now is 192.5 secs Computing kpt #: 103 total cpu time spent up to now is 194.5 secs Computing kpt #: 104 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 197.3 secs Computing kpt #: 105 total cpu time spent up to now is 199.4 secs Computing kpt #: 106 total cpu time spent up to now is 201.4 secs Computing kpt #: 107 total cpu time spent up to now is 203.6 secs Computing kpt #: 108 total cpu time spent up to now is 205.6 secs Computing kpt #: 109 total cpu time spent up to now is 207.3 secs Computing kpt #: 110 total cpu time spent up to now is 209.3 secs Computing kpt #: 111 total cpu time spent up to now is 212.2 secs Computing kpt #: 112 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 215.0 secs Computing kpt #: 113 total cpu time spent up to now is 217.0 secs Computing kpt #: 114 total cpu time spent up to now is 219.0 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 221.9 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 224.8 secs Computing kpt #: 117 total cpu time spent up to now is 227.7 secs Computing kpt #: 118 total cpu time spent up to now is 229.7 secs Computing kpt #: 119 total cpu time spent up to now is 231.9 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 234.9 secs Computing kpt #: 121 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 238.5 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 241.5 secs Computing kpt #: 123 total cpu time spent up to now is 244.0 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 247.0 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 250.0 secs Computing kpt #: 126 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 253.0 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 256.1 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 259.1 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 262.0 secs Computing kpt #: 130 total cpu time spent up to now is 264.3 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 267.3 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 270.3 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 273.3 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 276.3 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 279.3 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 282.1 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 285.1 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 288.1 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 291.1 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 294.0 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 297.1 secs Computing kpt #: 142 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 300.3 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 303.3 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 306.4 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 309.4 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 312.5 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 315.3 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 318.2 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 321.3 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 324.2 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 327.2 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 330.3 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 333.2 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 336.2 secs Computing kpt #: 155 total cpu time spent up to now is 338.9 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 341.8 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 344.7 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 347.6 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 350.7 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 353.6 secs Computing kpt #: 161 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 357.3 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 360.2 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 363.3 secs Computing kpt #: 164 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 366.3 secs Computing kpt #: 165 total cpu time spent up to now is 368.8 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 371.9 secs Computing kpt #: 167 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 374.7 secs Computing kpt #: 168 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 377.5 secs Computing kpt #: 169 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 380.3 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 383.1 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 386.2 secs Computing kpt #: 172 total cpu time spent up to now is 388.7 secs Computing kpt #: 173 total cpu time spent up to now is 391.2 secs Computing kpt #: 174 total cpu time spent up to now is 393.5 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 396.7 secs Computing kpt #: 176 total cpu time spent up to now is 398.5 secs Computing kpt #: 177 total cpu time spent up to now is 400.2 secs Computing kpt #: 178 total cpu time spent up to now is 402.7 secs Computing kpt #: 179 total cpu time spent up to now is 404.3 secs Computing kpt #: 180 total cpu time spent up to now is 405.9 secs Computing kpt #: 181 total cpu time spent up to now is 407.8 secs Computing kpt #: 182 total cpu time spent up to now is 409.6 secs Computing kpt #: 183 total cpu time spent up to now is 411.1 secs Computing kpt #: 184 total cpu time spent up to now is 412.6 secs Computing kpt #: 185 total cpu time spent up to now is 414.2 secs Computing kpt #: 186 total cpu time spent up to now is 415.7 secs Computing kpt #: 187 total cpu time spent up to now is 417.3 secs Computing kpt #: 188 total cpu time spent up to now is 418.6 secs Computing kpt #: 189 total cpu time spent up to now is 420.1 secs Computing kpt #: 190 total cpu time spent up to now is 421.5 secs Computing kpt #: 191 total cpu time spent up to now is 422.8 secs Computing kpt #: 192 total cpu time spent up to now is 424.1 secs Computing kpt #: 193 total cpu time spent up to now is 425.3 secs Computing kpt #: 194 total cpu time spent up to now is 426.7 secs Computing kpt #: 195 total cpu time spent up to now is 427.9 secs Computing kpt #: 196 total cpu time spent up to now is 429.8 secs Computing kpt #: 197 total cpu time spent up to now is 431.0 secs Computing kpt #: 198 total cpu time spent up to now is 432.4 secs Computing kpt #: 199 total cpu time spent up to now is 433.5 secs Computing kpt #: 200 total cpu time spent up to now is 434.6 secs Computing kpt #: 201 total cpu time spent up to now is 435.7 secs Computing kpt #: 202 total cpu time spent up to now is 436.7 secs Computing kpt #: 203 total cpu time spent up to now is 437.6 secs Computing kpt #: 204 total cpu time spent up to now is 438.6 secs Computing kpt #: 205 total cpu time spent up to now is 439.6 secs Computing kpt #: 206 total cpu time spent up to now is 440.5 secs Computing kpt #: 207 total cpu time spent up to now is 441.5 secs Computing kpt #: 208 total cpu time spent up to now is 442.4 secs Computing kpt #: 209 total cpu time spent up to now is 443.4 secs Computing kpt #: 210 total cpu time spent up to now is 444.3 secs Computing kpt #: 211 total cpu time spent up to now is 445.4 secs Computing kpt #: 212 total cpu time spent up to now is 446.4 secs Computing kpt #: 213 total cpu time spent up to now is 447.3 secs Computing kpt #: 214 total cpu time spent up to now is 448.3 secs Computing kpt #: 215 total cpu time spent up to now is 449.3 secs Computing kpt #: 216 total cpu time spent up to now is 450.3 secs Computing kpt #: 217 total cpu time spent up to now is 451.3 secs Computing kpt #: 218 total cpu time spent up to now is 452.3 secs Computing kpt #: 219 total cpu time spent up to now is 453.3 secs Computing kpt #: 220 total cpu time spent up to now is 454.3 secs Computing kpt #: 221 total cpu time spent up to now is 455.3 secs Computing kpt #: 222 total cpu time spent up to now is 456.5 secs Computing kpt #: 223 total cpu time spent up to now is 457.9 secs Computing kpt #: 224 total cpu time spent up to now is 459.4 secs Computing kpt #: 225 total cpu time spent up to now is 460.9 secs Computing kpt #: 226 total cpu time spent up to now is 462.4 secs Computing kpt #: 227 total cpu time spent up to now is 463.4 secs Computing kpt #: 228 total cpu time spent up to now is 464.4 secs Computing kpt #: 229 total cpu time spent up to now is 465.3 secs Computing kpt #: 230 total cpu time spent up to now is 466.3 secs Computing kpt #: 231 total cpu time spent up to now is 467.2 secs Computing kpt #: 232 total cpu time spent up to now is 468.2 secs Computing kpt #: 233 total cpu time spent up to now is 469.2 secs Computing kpt #: 234 total cpu time spent up to now is 470.3 secs Computing kpt #: 235 total cpu time spent up to now is 471.3 secs Computing kpt #: 236 total cpu time spent up to now is 472.3 secs Computing kpt #: 237 total cpu time spent up to now is 473.3 secs Computing kpt #: 238 total cpu time spent up to now is 474.5 secs Computing kpt #: 239 total cpu time spent up to now is 475.5 secs Computing kpt #: 240 total cpu time spent up to now is 476.6 secs Computing kpt #: 241 total cpu time spent up to now is 477.6 secs Computing kpt #: 242 total cpu time spent up to now is 478.8 secs Computing kpt #: 243 total cpu time spent up to now is 479.9 secs Computing kpt #: 244 total cpu time spent up to now is 481.1 secs Computing kpt #: 245 total cpu time spent up to now is 482.3 secs Computing kpt #: 246 total cpu time spent up to now is 483.5 secs Computing kpt #: 247 total cpu time spent up to now is 484.6 secs Computing kpt #: 248 total cpu time spent up to now is 485.8 secs Computing kpt #: 249 total cpu time spent up to now is 487.1 secs Computing kpt #: 250 total cpu time spent up to now is 488.3 secs Computing kpt #: 251 total cpu time spent up to now is 489.9 secs Computing kpt #: 252 total cpu time spent up to now is 491.2 secs Computing kpt #: 253 total cpu time spent up to now is 492.7 secs Computing kpt #: 254 total cpu time spent up to now is 494.1 secs Computing kpt #: 255 total cpu time spent up to now is 495.4 secs Computing kpt #: 256 total cpu time spent up to now is 496.9 secs Computing kpt #: 257 total cpu time spent up to now is 498.2 secs Computing kpt #: 258 total cpu time spent up to now is 499.9 secs Computing kpt #: 259 total cpu time spent up to now is 501.4 secs Computing kpt #: 260 total cpu time spent up to now is 502.9 secs Computing kpt #: 261 total cpu time spent up to now is 504.6 secs Computing kpt #: 262 total cpu time spent up to now is 506.2 secs Computing kpt #: 263 total cpu time spent up to now is 507.9 secs Computing kpt #: 264 total cpu time spent up to now is 510.1 secs Computing kpt #: 265 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 513.1 secs Computing kpt #: 266 total cpu time spent up to now is 515.0 secs Computing kpt #: 267 total cpu time spent up to now is 517.4 secs Computing kpt #: 268 total cpu time spent up to now is 519.5 secs Computing kpt #: 269 total cpu time spent up to now is 521.5 secs Computing kpt #: 270 total cpu time spent up to now is 523.5 secs Computing kpt #: 271 total cpu time spent up to now is 524.6 secs Computing kpt #: 272 total cpu time spent up to now is 525.7 secs Computing kpt #: 273 total cpu time spent up to now is 526.7 secs Computing kpt #: 274 total cpu time spent up to now is 527.7 secs Computing kpt #: 275 total cpu time spent up to now is 528.7 secs Computing kpt #: 276 total cpu time spent up to now is 529.7 secs Computing kpt #: 277 total cpu time spent up to now is 530.8 secs Computing kpt #: 278 total cpu time spent up to now is 531.9 secs Computing kpt #: 279 total cpu time spent up to now is 533.1 secs Computing kpt #: 280 total cpu time spent up to now is 534.0 secs Computing kpt #: 281 total cpu time spent up to now is 535.2 secs Computing kpt #: 282 total cpu time spent up to now is 536.3 secs Computing kpt #: 283 total cpu time spent up to now is 537.3 secs Computing kpt #: 284 total cpu time spent up to now is 538.3 secs Computing kpt #: 285 total cpu time spent up to now is 539.2 secs Computing kpt #: 286 total cpu time spent up to now is 540.3 secs Computing kpt #: 287 total cpu time spent up to now is 541.6 secs Computing kpt #: 288 total cpu time spent up to now is 542.9 secs Computing kpt #: 289 total cpu time spent up to now is 543.9 secs Computing kpt #: 290 total cpu time spent up to now is 545.2 secs Computing kpt #: 291 total cpu time spent up to now is 546.2 secs Computing kpt #: 292 total cpu time spent up to now is 547.2 secs Computing kpt #: 293 total cpu time spent up to now is 548.4 secs Computing kpt #: 294 total cpu time spent up to now is 549.5 secs Computing kpt #: 295 total cpu time spent up to now is 550.8 secs Computing kpt #: 296 total cpu time spent up to now is 551.8 secs Computing kpt #: 297 total cpu time spent up to now is 552.9 secs Computing kpt #: 298 total cpu time spent up to now is 554.1 secs Computing kpt #: 299 total cpu time spent up to now is 555.3 secs Computing kpt #: 300 total cpu time spent up to now is 556.5 secs Computing kpt #: 301 total cpu time spent up to now is 557.7 secs Computing kpt #: 302 total cpu time spent up to now is 558.9 secs Computing kpt #: 303 total cpu time spent up to now is 560.1 secs Computing kpt #: 304 total cpu time spent up to now is 561.4 secs Computing kpt #: 305 total cpu time spent up to now is 562.7 secs Computing kpt #: 306 total cpu time spent up to now is 564.1 secs Computing kpt #: 307 total cpu time spent up to now is 565.6 secs Computing kpt #: 308 total cpu time spent up to now is 567.4 secs Computing kpt #: 309 total cpu time spent up to now is 569.4 secs Computing kpt #: 310 total cpu time spent up to now is 571.8 secs Computing kpt #: 311 total cpu time spent up to now is 574.2 secs Computing kpt #: 312 total cpu time spent up to now is 576.0 secs Computing kpt #: 313 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 579.0 secs Computing kpt #: 314 total cpu time spent up to now is 581.0 secs Computing kpt #: 315 total cpu time spent up to now is 583.0 secs Computing kpt #: 316 total cpu time spent up to now is 584.9 secs Computing kpt #: 317 total cpu time spent up to now is 587.1 secs Computing kpt #: 318 total cpu time spent up to now is 589.2 secs Computing kpt #: 319 total cpu time spent up to now is 591.4 secs Computing kpt #: 320 total cpu time spent up to now is 593.0 secs Computing kpt #: 321 total cpu time spent up to now is 594.7 secs Computing kpt #: 322 total cpu time spent up to now is 597.1 secs Computing kpt #: 323 total cpu time spent up to now is 599.0 secs Computing kpt #: 324 total cpu time spent up to now is 601.3 secs Computing kpt #: 325 total cpu time spent up to now is 603.3 secs Computing kpt #: 326 total cpu time spent up to now is 605.4 secs Computing kpt #: 327 total cpu time spent up to now is 607.7 secs ethr = 2.50E-11, avg # of iterations = 53.6 total cpu time spent up to now is 607.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2481 PWs) bands (ev): -46.2461 -46.2461 -23.8608 -23.8608 -21.8012 -21.8012 -21.7621 -21.7621 -18.9920 -18.9920 -8.7484 -8.7484 -8.2870 -8.2870 -8.2726 -8.2726 -2.7088 -2.7088 -2.4480 -2.4480 -2.4470 -2.4470 6.0153 6.0153 6.2073 6.2073 6.2350 6.2350 6.8825 6.8825 6.8929 6.8929 7.0425 7.0425 7.2838 7.2838 7.3251 7.3251 7.3573 7.3573 10.7028 10.7028 10.7391 10.7391 11.0346 11.0346 14.2282 14.2283 k = 0.0125-0.0000-0.0000 ( 2487 PWs) bands (ev): -46.2462 -46.2462 -23.8609 -23.8607 -21.8012 -21.8012 -21.7623 -21.7620 -18.9920 -18.9920 -8.7483 -8.7476 -8.2873 -8.2859 -8.2722 -8.2722 -2.7090 -2.7084 -2.4483 -2.4477 -2.4468 -2.4468 6.0111 6.0157 6.2006 6.2091 6.2335 6.2337 6.8798 6.8811 6.8886 6.8933 7.0358 7.0437 7.2806 7.2818 7.3230 7.3312 7.3592 7.3593 10.7032 10.7054 10.7386 10.7435 11.0342 11.0362 14.2303 14.2305 k = 0.0250-0.0001-0.0001 ( 2493 PWs) bands (ev): -46.2462 -46.2462 -23.8612 -23.8607 -21.8015 -21.8015 -21.7627 -21.7620 -18.9919 -18.9918 -8.7472 -8.7458 -8.2869 -8.2844 -8.2710 -8.2707 -2.7089 -2.7079 -2.4483 -2.4475 -2.4465 -2.4461 6.0028 6.0123 6.1881 6.2061 6.2298 6.2302 6.8726 6.8756 6.8808 6.8895 7.0249 7.0395 7.2732 7.2754 7.3251 7.3395 7.3642 7.3651 10.7049 10.7112 10.7442 10.7518 11.0350 11.0390 14.2315 14.2324 k = 0.0375-0.0001-0.0001 ( 2493 PWs) bands (ev): -46.2462 -46.2462 -23.8615 -23.8609 -21.8019 -21.8019 -21.7632 -21.7622 -18.9917 -18.9916 -8.7453 -8.7432 -8.2859 -8.2828 -8.2687 -8.2677 -2.7087 -2.7071 -2.4482 -2.4473 -2.4459 -2.4450 5.9897 6.0042 6.1699 6.1981 6.2243 6.2256 6.8600 6.8660 6.8705 6.8815 7.0123 7.0314 7.2631 7.2661 7.3297 7.3479 7.3710 7.3732 10.7057 10.7184 10.7579 10.7656 11.0373 11.0433 14.2318 14.2333 k = 0.0500-0.0002-0.0002 ( 2495 PWs) bands (ev): -46.2462 -46.2462 -23.8620 -23.8611 -21.8024 -21.8024 -21.7639 -21.7625 -18.9914 -18.9913 -8.7425 -8.7398 -8.2847 -8.2815 -8.2651 -8.2627 -2.7083 -2.7062 -2.4479 -2.4470 -2.4451 -2.4437 5.9708 5.9901 6.1474 6.1850 6.2182 6.2201 6.8423 6.8522 6.8577 6.8697 6.9998 7.0215 7.2514 7.2552 7.3349 7.3555 7.3780 7.3817 10.7057 10.7255 10.7799 10.7867 11.0415 11.0494 14.2316 14.2338 k = 0.0625-0.0002-0.0002 ( 2483 PWs) bands (ev): -46.2460 -46.2460 -23.8625 -23.8614 -21.8032 -21.8031 -21.7646 -21.7629 -18.9911 -18.9909 -8.7391 -8.7357 -8.2834 -8.2804 -8.2597 -8.2558 -2.7076 -2.7050 -2.4474 -2.4465 -2.4440 -2.4420 5.9445 5.9674 6.1230 6.1685 6.2115 6.2136 6.8204 6.8342 6.8425 6.8546 6.9886 7.0112 7.2386 7.2433 7.3396 7.3621 7.3844 7.3887 10.7059 10.7320 10.8092 10.8155 11.0481 11.0578 14.2315 14.2343 k = 0.0750-0.0002-0.0002 ( 2479 PWs) bands (ev): -46.2459 -46.2459 -23.8631 -23.8618 -21.8041 -21.8040 -21.7654 -21.7635 -18.9906 -18.9904 -8.7351 -8.7310 -8.2822 -8.2796 -8.2524 -8.2468 -2.7067 -2.7036 -2.4469 -2.4460 -2.4427 -2.4400 5.9097 5.9335 6.0999 6.1504 6.2040 6.2058 6.7954 6.8128 6.8249 6.8370 6.9790 7.0013 7.2251 7.2305 7.3424 7.3676 7.3892 7.3925 10.7072 10.7383 10.8449 10.8513 11.0576 11.0690 14.2315 14.2348 k = 0.0875-0.0003-0.0003 ( 2479 PWs) bands (ev): -46.2459 -46.2459 -23.8638 -23.8623 -21.8053 -21.8050 -21.7662 -21.7641 -18.9901 -18.9899 -8.7307 -8.7260 -8.2811 -8.2789 -8.2431 -8.2359 -2.7057 -2.7022 -2.4462 -2.4454 -2.4411 -2.4378 5.8652 5.8872 6.0798 6.1321 6.1954 6.1969 6.7683 6.7890 6.8053 6.8172 6.9705 6.9919 7.2110 7.2171 7.3427 7.3721 7.3923 7.3925 10.7101 10.7450 10.8862 10.8936 11.0707 11.0838 14.2314 14.2353 k = 0.1000-0.0003-0.0003 ( 2473 PWs) bands (ev): -46.2458 -46.2458 -23.8646 -23.8629 -21.8066 -21.8063 -21.7671 -21.7648 -18.9895 -18.9893 -8.7260 -8.7207 -8.2801 -8.2783 -8.2316 -8.2229 -2.7045 -2.7005 -2.4454 -2.4447 -2.4392 -2.4354 5.8110 5.8292 6.0626 6.1144 6.1855 6.1865 6.7400 6.7641 6.7839 6.7958 6.9628 6.9830 7.1964 7.2031 7.3395 7.3753 7.3881 7.3943 10.7150 10.7523 10.9322 10.9416 11.0880 11.1030 14.2313 14.2359 k = 0.1125-0.0003-0.0003 ( 2473 PWs) bands (ev): -46.2457 -46.2457 -23.8655 -23.8636 -21.8083 -21.8077 -21.7679 -21.7655 -18.9889 -18.9886 -8.7212 -8.7154 -8.2792 -8.2776 -8.2180 -8.2078 -2.7031 -2.6987 -2.4445 -2.4439 -2.4371 -2.4327 5.7475 5.7610 6.0473 6.0975 6.1744 6.1748 6.7113 6.7386 6.7613 6.7729 6.9553 6.9744 7.1814 7.1885 7.3322 7.3736 7.3831 7.3951 10.7218 10.7603 10.9819 10.9946 11.1103 11.1279 14.2312 14.2364 k = 0.1250-0.0004-0.0004 ( 2470 PWs) bands (ev): -46.2456 -46.2456 -23.8664 -23.8644 -21.8101 -21.8094 -21.7687 -21.7663 -18.9882 -18.9878 -8.7165 -8.7102 -8.2784 -8.2770 -8.2021 -8.1907 -2.7016 -2.6968 -2.4436 -2.4430 -2.4347 -2.4298 5.6757 5.6845 6.0329 6.0810 6.1617 6.1618 6.6826 6.7133 6.7377 6.7490 6.9477 6.9657 7.1660 7.1735 7.3206 7.3612 7.3834 7.3954 10.7303 10.7688 11.0339 11.0517 11.1383 11.1597 14.2311 14.2368 k = 0.1375-0.0004-0.0004 ( 2470 PWs) bands (ev): -46.2455 -46.2455 -23.8674 -23.8652 -21.8122 -21.8113 -21.7695 -21.7670 -18.9874 -18.9870 -8.7120 -8.7053 -8.2775 -8.2763 -8.1840 -8.1714 -2.6999 -2.6948 -2.4426 -2.4421 -2.4321 -2.4267 5.5965 5.6010 6.0186 6.0647 6.1471 6.1478 6.6542 6.6882 6.7137 6.7246 6.9397 6.9566 7.1503 7.1580 7.3047 7.3431 7.3847 7.3954 10.7402 10.7778 11.0866 11.1114 11.1737 11.2001 14.2310 14.2373 k = 0.1500-0.0005-0.0005 ( 2470 PWs) bands (ev): -46.2455 -46.2455 -23.8685 -23.8661 -21.8145 -21.8134 -21.7702 -21.7677 -18.9865 -18.9862 -8.7078 -8.7008 -8.2767 -8.2756 -8.1636 -8.1501 -2.6981 -2.6927 -2.4415 -2.4411 -2.4292 -2.4234 5.5111 5.5119 6.0039 6.0482 6.1311 6.1325 6.6263 6.6637 6.6897 6.6998 6.9310 6.9470 7.1341 7.1421 7.2851 7.3210 7.3856 7.3951 10.7510 10.7870 11.1390 11.1708 11.2189 11.2501 14.2309 14.2377 k = 0.1625-0.0005-0.0005 ( 2468 PWs) bands (ev): -46.2454 -46.2454 -23.8696 -23.8671 -21.8171 -21.8157 -21.7709 -21.7684 -18.9857 -18.9853 -8.7040 -8.6967 -8.2758 -8.2748 -8.1409 -8.1266 -2.6962 -2.6905 -2.4404 -2.4400 -2.4260 -2.4199 5.4179 5.4203 5.9888 6.0313 6.1136 6.1158 6.5991 6.6397 6.6659 6.6752 6.9215 6.9366 7.1176 7.1257 7.2626 7.2959 7.3861 7.3946 10.7624 10.7961 11.1914 11.2267 11.2769 11.3090 14.2307 14.2381 k = 0.1750-0.0005-0.0005 ( 2468 PWs) bands (ev): -46.2453 -46.2453 -23.8707 -23.8682 -21.8198 -21.8183 -21.7714 -21.7690 -18.9847 -18.9843 -8.7007 -8.6932 -8.2749 -8.2740 -8.1161 -8.1011 -2.6941 -2.6882 -2.4392 -2.4389 -2.4227 -2.4162 5.3202 5.3252 5.9729 6.0136 6.0947 6.0979 6.5726 6.6165 6.6426 6.6510 6.9108 6.9251 7.1008 7.1089 7.2380 7.2686 7.3861 7.3938 10.7738 10.8050 11.2450 11.2810 11.3449 11.3753 14.2305 14.2384 k = 0.1875-0.0006-0.0006 ( 2468 PWs) bands (ev): -46.2452 -46.2452 -23.8719 -23.8693 -21.8228 -21.8210 -21.7719 -21.7696 -18.9838 -18.9834 -8.6978 -8.6903 -8.2741 -8.2733 -8.0892 -8.0737 -2.6920 -2.6859 -2.4379 -2.4377 -2.4192 -2.4124 5.2193 5.2266 5.9561 5.9951 6.0746 6.0786 6.5471 6.5939 6.6201 6.6275 6.8986 6.9122 7.0837 7.0918 7.2123 7.2402 7.3857 7.3928 10.7851 10.8136 11.3012 11.3373 11.4187 11.4469 14.2302 14.2387 k = 0.2000-0.0006-0.0006 ( 2464 PWs) bands (ev): -46.2451 -46.2451 -23.8732 -23.8704 -21.8259 -21.8239 -21.7723 -21.7701 -18.9828 -18.9824 -8.6956 -8.6880 -8.2732 -8.2724 -8.0604 -8.0445 -2.6898 -2.6835 -2.4367 -2.4364 -2.4155 -2.4085 5.1161 5.1253 5.9386 5.9758 6.0532 6.0583 6.5225 6.5722 6.5986 6.6049 6.8848 6.8976 7.0663 7.0744 7.1864 7.2114 7.3850 7.3915 10.7960 10.8218 11.3607 11.3970 11.4959 11.5223 14.2298 14.2389 k = 0.2125-0.0007-0.0007 ( 2462 PWs) bands (ev): -46.2450 -46.2450 -23.8744 -23.8716 -21.8291 -21.8269 -21.7726 -21.7705 -18.9818 -18.9813 -8.6938 -8.6863 -8.2723 -8.2716 -8.0299 -8.0136 -2.6875 -2.6812 -2.4354 -2.4351 -2.4117 -2.4045 5.0112 5.0219 5.9202 5.9555 6.0309 6.0370 6.4990 6.5512 6.5781 6.5833 6.8690 6.8810 7.0488 7.0568 7.1611 7.1832 7.3841 7.3901 10.8063 10.8297 11.4235 11.4602 11.5754 11.6005 14.2294 14.2390 k = 0.2250-0.0007-0.0007 ( 2458 PWs) bands (ev): -46.2448 -46.2448 -23.8757 -23.8728 -21.8325 -21.8301 -21.7729 -21.7709 -18.9807 -18.9803 -8.6926 -8.6852 -8.2713 -8.2707 -7.9978 -7.9814 -2.6852 -2.6788 -2.4340 -2.4338 -2.4077 -2.4004 4.9054 4.9173 5.9011 5.9344 6.0077 6.0147 6.4767 6.5310 6.5588 6.5629 6.8510 6.8622 7.0312 7.0391 7.1372 7.1563 7.3829 7.3884 10.8161 10.8371 11.4897 11.5267 11.6564 11.6805 14.2289 14.2390 k = 0.2375-0.0007-0.0007 ( 2452 PWs) bands (ev): -46.2447 -46.2447 -23.8770 -23.8741 -21.8359 -21.8333 -21.7731 -21.7712 -18.9797 -18.9792 -8.6918 -8.6846 -8.2704 -8.2699 -7.9643 -7.9479 -2.6828 -2.6764 -2.4327 -2.4325 -2.4036 -2.3962 4.7991 4.8120 5.8814 5.9125 5.9838 5.9918 6.4557 6.5118 6.5406 6.5437 6.8307 6.8412 7.0135 7.0214 7.1152 7.1314 7.3815 7.3867 10.8253 10.8442 11.5586 11.5960 11.7384 11.7618 14.2283 14.2389 k = 0.2500-0.0008-0.0008 ( 2453 PWs) bands (ev): -46.2446 -46.2446 -23.8783 -23.8754 -21.8394 -21.8367 -21.7733 -21.7715 -18.9786 -18.9782 -8.6915 -8.6846 -8.2695 -8.2690 -7.9298 -7.9134 -2.6804 -2.6740 -2.4313 -2.4312 -2.3994 -2.3921 4.6931 4.7066 5.8611 5.8900 5.9595 5.9683 6.4360 6.4935 6.5235 6.5257 6.8080 6.8181 6.9959 7.0036 7.0954 7.1090 7.3799 7.3848 10.8340 10.8509 11.6299 11.6674 11.8208 11.8437 14.2276 14.2386 k = 0.2625-0.0008-0.0008 ( 2455 PWs) bands (ev): -46.2445 -46.2445 -23.8796 -23.8767 -21.8429 -21.8401 -21.7734 -21.7717 -18.9775 -18.9771 -8.6916 -8.6849 -8.2686 -8.2682 -7.8944 -7.8782 -2.6781 -2.6717 -2.4299 -2.4299 -2.3953 -2.3879 4.5879 4.6019 5.8403 5.8671 5.9349 5.9445 6.4176 6.4761 6.5076 6.5089 6.7833 6.7932 6.9784 6.9860 7.0780 7.0892 7.3783 7.3829 10.8421 10.8573 11.7029 11.7403 11.9031 11.9256 14.2268 14.2382 k = 0.2750-0.0008-0.0008 ( 2455 PWs) bands (ev): -46.2444 -46.2444 -23.8808 -23.8780 -21.8463 -21.8435 -21.7735 -21.7719 -18.9765 -18.9761 -8.6920 -8.6856 -8.2677 -8.2673 -7.8585 -7.8425 -2.6757 -2.6695 -2.4286 -2.4285 -2.3910 -2.3837 4.4842 4.4984 5.8193 5.8439 5.9103 5.9205 6.4006 6.4598 6.4928 6.4932 6.7569 6.7668 6.9611 6.9686 7.0629 7.0719 7.3766 7.3809 10.8497 10.8634 11.7770 11.8141 11.9850 12.0072 14.2259 14.2377 k = 0.2875-0.0009-0.0009 ( 2457 PWs) bands (ev): -46.2444 -46.2444 -23.8821 -23.8793 -21.8498 -21.8469 -21.7735 -21.7721 -18.9755 -18.9750 -8.6928 -8.6867 -8.2668 -8.2664 -7.8222 -7.8066 -2.6734 -2.6673 -2.4273 -2.4272 -2.3868 -2.3796 4.3823 4.3967 5.7983 5.8206 5.8859 5.8965 6.3850 6.4446 6.4785 6.4790 6.7293 6.7395 6.9441 6.9514 7.0498 7.0571 7.3749 7.3789 10.8569 10.8692 11.8516 11.8883 12.0660 12.0878 14.2249 14.2370 k = 0.3000-0.0009-0.0009 ( 2455 PWs) bands (ev): -46.2443 -46.2443 -23.8833 -23.8805 -21.8531 -21.8502 -21.7735 -21.7722 -18.9744 -18.9740 -8.6937 -8.6880 -8.2659 -8.2656 -7.7860 -7.7708 -2.6711 -2.6651 -2.4259 -2.4259 -2.3826 -2.3756 4.2830 4.2974 5.7773 5.7975 5.8619 5.8728 6.3707 6.4304 6.4648 6.4663 6.7011 6.7117 6.9276 6.9346 7.0386 7.0443 7.3732 7.3769 10.8636 10.8747 11.9262 11.9622 12.1456 12.1671 14.2238 14.2361 k = 0.3125-0.0010-0.0010 ( 2457 PWs) bands (ev): -46.2442 -46.2442 -23.8845 -23.8818 -21.8564 -21.8535 -21.7735 -21.7723 -18.9734 -18.9730 -8.6949 -8.6895 -8.2651 -8.2648 -7.7500 -7.7353 -2.6688 -2.6631 -2.4247 -2.4247 -2.3785 -2.3716 4.1868 4.2009 5.7566 5.7748 5.8385 5.8494 6.3577 6.4173 6.4521 6.4545 6.6727 6.6840 6.9115 6.9183 7.0289 7.0334 7.3715 7.3750 10.8700 10.8799 12.0000 12.0351 12.2234 12.2445 14.2226 14.2351 k = 0.3250-0.0010-0.0010 ( 2457 PWs) bands (ev): -46.2441 -46.2441 -23.8856 -23.8830 -21.8596 -21.8568 -21.7735 -21.7724 -18.9725 -18.9721 -8.6962 -8.6912 -8.2643 -8.2640 -7.7146 -7.7005 -2.6667 -2.6612 -2.4234 -2.4234 -2.3744 -2.3678 4.0941 4.1079 5.7363 5.7527 5.8159 5.8266 6.3460 6.4052 6.4402 6.4436 6.6446 6.6567 6.8959 6.9025 7.0205 7.0241 7.3699 7.3731 10.8759 10.8848 12.0726 12.1066 12.2990 12.3197 14.2213 14.2339 k = 0.3375-0.0010-0.0010 ( 2455 PWs) bands (ev): -46.2440 -46.2440 -23.8867 -23.8842 -21.8626 -21.8599 -21.7735 -21.7724 -18.9716 -18.9712 -8.6976 -8.6929 -8.2635 -8.2633 -7.6800 -7.6666 -2.6646 -2.6593 -2.4222 -2.4222 -2.3705 -2.3642 4.0054 4.0188 5.7167 5.7313 5.7941 5.8046 6.3355 6.3941 6.4291 6.4337 6.6173 6.6301 6.8811 6.8874 7.0132 7.0160 7.3683 7.3712 10.8815 10.8895 12.1434 12.1760 12.3720 12.3922 14.2199 14.2325 k = 0.3500-0.0011-0.0011 ( 2453 PWs) bands (ev): -46.2439 -46.2439 -23.8877 -23.8854 -21.8655 -21.8629 -21.7734 -21.7725 -18.9707 -18.9703 -8.6991 -8.6948 -8.2628 -8.2625 -7.6466 -7.6338 -2.6625 -2.6576 -2.4211 -2.4211 -2.3667 -2.3607 3.9213 3.9340 5.6979 5.7109 5.7734 5.7835 6.3263 6.3840 6.4189 6.4246 6.5911 6.6046 6.8670 6.8729 7.0069 7.0091 7.3668 7.3695 10.8867 10.8938 12.2117 12.2429 12.4418 12.4615 14.2184 14.2310 k = 0.3625-0.0011-0.0011 ( 2455 PWs) bands (ev): -46.2439 -46.2439 -23.8887 -23.8865 -21.8682 -21.8657 -21.7734 -21.7725 -18.9698 -18.9695 -8.7006 -8.6966 -8.2621 -8.2619 -7.6145 -7.6026 -2.6606 -2.6560 -2.4200 -2.4200 -2.3630 -2.3574 3.8421 3.8542 5.6801 5.6915 5.7540 5.7635 6.3182 6.3748 6.4094 6.4162 6.5663 6.5803 6.8537 6.8593 7.0014 7.0031 7.3653 7.3678 10.8915 10.8978 12.2771 12.3065 12.5082 12.5271 14.2170 14.2293 k = 0.3750-0.0012-0.0011 ( 2448 PWs) bands (ev): -46.2437 -46.2437 -23.8896 -23.8875 -21.8707 -21.8683 -21.7733 -21.7725 -18.9690 -18.9687 -8.7021 -8.6985 -8.2614 -8.2612 -7.5841 -7.5731 -2.6588 -2.6545 -2.4190 -2.4190 -2.3596 -2.3544 3.7683 3.7796 5.6634 5.6734 5.7359 5.7447 6.3113 6.3664 6.4006 6.4087 6.5431 6.5575 6.8413 6.8465 6.9966 6.9979 7.3640 7.3662 10.8959 10.9016 12.3390 12.3666 12.5707 12.5888 14.2155 14.2274 k = 0.3875-0.0012-0.0012 ( 2446 PWs) bands (ev): -46.2436 -46.2436 -23.8904 -23.8885 -21.8730 -21.8708 -21.7732 -21.7725 -18.9683 -18.9680 -8.7035 -8.7002 -8.2608 -8.2606 -7.5557 -7.5455 -2.6571 -2.6532 -2.4181 -2.4180 -2.3563 -2.3516 3.7003 3.7108 5.6479 5.6566 5.7192 5.7273 6.3056 6.3588 6.3927 6.4019 6.5218 6.5362 6.8299 6.8346 6.9925 6.9935 7.3628 7.3648 10.9000 10.9050 12.3970 12.4225 12.6289 12.6459 14.2140 14.2255 k = 0.4000-0.0012-0.0012 ( 2444 PWs) bands (ev): -46.2435 -46.2435 -23.8911 -23.8894 -21.8751 -21.8731 -21.7732 -21.7726 -18.9677 -18.9674 -8.7048 -8.7019 -8.2602 -8.2601 -7.5294 -7.5202 -2.6555 -2.6520 -2.4172 -2.4172 -2.3534 -2.3490 3.6385 3.6480 5.6338 5.6413 5.7040 5.7114 6.3010 6.3517 6.3856 6.3958 6.5026 6.5166 6.8195 6.8238 6.9889 6.9897 7.3617 7.3635 10.9037 10.9080 12.4505 12.4737 12.6824 12.6982 14.2127 14.2234 k = 0.4125-0.0013-0.0013 ( 2444 PWs) bands (ev): -46.2435 -46.2435 -23.8917 -23.8902 -21.8770 -21.8752 -21.7731 -21.7726 -18.9671 -18.9668 -8.7060 -8.7035 -8.2597 -8.2596 -7.5056 -7.4974 -2.6541 -2.6510 -2.4164 -2.4164 -2.3506 -2.3468 3.5832 3.5917 5.6211 5.6275 5.6905 5.6971 6.2975 6.3450 6.3794 6.3904 6.4856 6.4989 6.8103 6.8141 6.9858 6.9864 7.3607 7.3623 10.9070 10.9107 12.4991 12.5199 12.7308 12.7452 14.2114 14.2213 k = 0.4250-0.0013-0.0013 ( 2440 PWs) bands (ev): -46.2434 -46.2434 -23.8923 -23.8910 -21.8786 -21.8770 -21.7730 -21.7726 -18.9665 -18.9663 -8.7071 -8.7049 -8.2593 -8.2592 -7.4843 -7.4773 -2.6528 -2.6501 -2.4158 -2.4157 -2.3482 -2.3448 3.5347 3.5421 5.6100 5.6154 5.6788 5.6844 6.2952 6.3386 6.3743 6.3856 6.4710 6.4831 6.8022 6.8055 6.9832 6.9837 7.3599 7.3612 10.9099 10.9130 12.5425 12.5606 12.7738 12.7866 14.2103 14.2192 k = 0.4375-0.0013-0.0013 ( 2438 PWs) bands (ev): -46.2433 -46.2433 -23.8927 -23.8916 -21.8799 -21.8786 -21.7729 -21.7726 -18.9661 -18.9659 -8.7080 -8.7062 -8.2589 -8.2588 -7.4659 -7.4600 -2.6517 -2.6494 -2.4152 -2.4151 -2.3460 -2.3432 3.4933 3.4995 5.6006 5.6050 5.6687 5.6735 6.2940 6.3323 6.3703 6.3813 6.4587 6.4693 6.7953 6.7981 6.9811 6.9814 7.3592 7.3603 10.9124 10.9150 12.5801 12.5954 12.8110 12.8221 14.2094 14.2171 k = 0.4500-0.0014-0.0014 ( 2432 PWs) bands (ev): -46.2432 -46.2432 -23.8931 -23.8922 -21.8810 -21.8799 -21.7729 -21.7726 -18.9657 -18.9656 -8.7088 -8.7073 -8.2586 -8.2585 -7.4505 -7.4457 -2.6507 -2.6489 -2.4147 -2.4146 -2.3442 -2.3419 3.4592 3.4643 5.5928 5.5963 5.6606 5.6644 6.2940 6.3261 6.3676 6.3776 6.4489 6.4577 6.7896 6.7919 6.9793 6.9796 7.3586 7.3595 10.9145 10.9166 12.6117 12.6241 12.8422 12.8513 14.2088 14.2152 k = 0.4625-0.0014-0.0014 ( 2427 PWs) bands (ev): -46.2431 -46.2431 -23.8933 -23.8926 -21.8818 -21.8810 -21.7728 -21.7726 -18.9654 -18.9653 -8.7093 -8.7082 -8.2584 -8.2583 -7.4382 -7.4346 -2.6499 -2.6485 -2.4143 -2.4142 -2.3427 -2.3410 3.4326 3.4365 5.5869 5.5894 5.6543 5.6571 6.2950 6.3200 6.3661 6.3744 6.4415 6.4482 6.7853 6.7870 6.9780 6.9782 7.3582 7.3589 10.9163 10.9178 12.6369 12.6464 12.8670 12.8740 14.2085 14.2134 k = 0.4750-0.0015-0.0015 ( 2427 PWs) bands (ev): -46.2431 -46.2431 -23.8934 -23.8930 -21.8824 -21.8819 -21.7728 -21.7726 -18.9652 -18.9651 -8.7097 -8.7090 -8.2582 -8.2582 -7.4292 -7.4268 -2.6492 -2.6483 -2.4140 -2.4140 -2.3415 -2.3404 3.4137 3.4163 5.5827 5.5843 5.6499 5.6518 6.2971 6.3142 6.3656 6.3715 6.4366 6.4411 6.7822 6.7834 6.9771 6.9772 7.3580 7.3584 10.9175 10.9185 12.6556 12.6619 12.8852 12.8900 14.2085 14.2119 k = 0.4875-0.0015-0.0015 ( 2424 PWs) bands (ev): -46.2430 -46.2430 -23.8935 -23.8933 -21.8827 -21.8824 -21.7727 -21.7726 -18.9650 -18.9650 -8.7098 -8.7095 -8.2581 -8.2581 -7.4235 -7.4223 -2.6487 -2.6482 -2.4138 -2.4138 -2.3407 -2.3401 3.4026 3.4039 5.5803 5.5811 5.6474 5.6484 6.3001 6.3088 6.3661 6.3692 6.4341 6.4363 6.7805 6.7811 6.9766 6.9766 7.3579 7.3581 10.9184 10.9189 12.6675 12.6707 12.8968 12.8991 14.2088 14.2105 k = 0.5000-0.0015-0.0015 ( 2426 PWs) bands (ev): -46.2430 -46.2430 -23.8934 -23.8934 -21.8827 -21.8827 -21.7727 -21.7727 -18.9650 -18.9650 -8.7097 -8.7097 -8.2580 -8.2580 -7.4212 -7.4212 -2.6484 -2.6484 -2.4138 -2.4138 -2.3402 -2.3402 3.3993 3.3993 5.5798 5.5798 5.6469 5.6469 6.3041 6.3041 6.3673 6.3673 6.4340 6.4340 6.7801 6.7801 6.9764 6.9764 7.3579 7.3579 10.9189 10.9189 12.6725 12.6725 12.9014 12.9014 14.2095 14.2095 k = 0.5000-0.0015-0.0015 ( 2426 PWs) bands (ev): -46.2430 -46.2430 -23.8934 -23.8934 -21.8827 -21.8827 -21.7727 -21.7727 -18.9650 -18.9650 -8.7097 -8.7097 -8.2580 -8.2580 -7.4212 -7.4212 -2.6484 -2.6484 -2.4138 -2.4138 -2.3402 -2.3402 3.3993 3.3993 5.5798 5.5798 5.6469 5.6469 6.3041 6.3041 6.3673 6.3673 6.4340 6.4340 6.7801 6.7801 6.9764 6.9764 7.3579 7.3579 10.9189 10.9189 12.6725 12.6725 12.9014 12.9014 14.2095 14.2095 k = 0.5000 0.0073-0.0104 ( 2424 PWs) bands (ev): -46.2430 -46.2430 -23.8936 -23.8933 -21.8829 -21.8825 -21.7731 -21.7725 -18.9650 -18.9650 -8.7096 -8.7080 -8.2586 -8.2563 -7.4214 -7.4212 -2.6493 -2.6475 -2.4149 -2.4126 -2.3406 -2.3402 3.3992 3.3994 5.5682 5.5791 5.6388 5.6498 6.2900 6.3149 6.3533 6.3837 6.4287 6.4409 6.7825 6.7833 6.9648 6.9810 7.3522 7.3692 10.9161 10.9235 12.6700 12.6748 12.8998 12.9035 14.2134 14.2169 k = 0.5000 0.0162-0.0193 ( 2436 PWs) bands (ev): -46.2432 -46.2432 -23.8939 -23.8933 -21.8832 -21.8825 -21.7738 -21.7725 -18.9649 -18.9649 -8.7077 -8.7046 -8.2579 -8.2534 -7.4218 -7.4213 -2.6503 -2.6468 -2.4160 -2.4115 -2.3414 -2.3405 3.3991 3.3994 5.5465 5.5647 5.6275 5.6459 6.2747 6.3103 6.3520 6.3947 6.4297 6.4515 6.7901 6.7916 6.9487 6.9777 7.3527 7.3844 10.9152 10.9301 12.6673 12.6767 12.8988 12.9061 14.2284 14.2354 k = 0.5000 0.0251-0.0282 ( 2446 PWs) bands (ev): -46.2433 -46.2433 -23.8943 -23.8934 -21.8835 -21.8825 -21.7746 -21.7728 -18.9649 -18.9649 -8.7041 -8.6993 -8.2561 -8.2494 -7.4223 -7.4216 -2.6514 -2.6461 -2.4171 -2.4104 -2.3426 -2.3413 3.3990 3.3994 5.5164 5.5380 5.6133 5.6348 6.2566 6.2894 6.3595 6.3890 6.4483 6.4693 6.8017 6.8038 6.9319 6.9681 7.3585 7.4013 10.9166 10.9387 12.6646 12.6783 12.8985 12.9092 14.2544 14.2648 k = 0.5000 0.0340-0.0371 ( 2450 PWs) bands (ev): -46.2433 -46.2433 -23.8947 -23.8936 -21.8839 -21.8826 -21.7757 -21.7732 -18.9648 -18.9648 -8.6986 -8.6922 -8.2531 -8.2442 -7.4230 -7.4221 -2.6526 -2.6456 -2.4182 -2.4092 -2.3442 -2.3424 3.3988 3.3994 5.4795 5.5019 5.5952 5.6172 6.2334 6.2618 6.3632 6.3720 6.4793 6.4961 6.8135 6.8179 6.9198 6.9558 7.3675 7.4179 10.9206 10.9497 12.6622 12.6798 12.8989 12.9127 14.2911 14.3045 k = 0.5000 0.0428-0.0460 ( 2450 PWs) bands (ev): -46.2433 -46.2433 -23.8953 -23.8939 -21.8844 -21.8827 -21.7770 -21.7739 -18.9647 -18.9646 -8.6913 -8.6834 -8.2490 -8.2379 -7.4238 -7.4227 -2.6538 -2.6451 -2.4192 -2.4081 -2.3461 -2.3438 3.3986 3.3994 5.4372 5.4592 5.5727 5.5939 6.2034 6.2302 6.3484 6.3605 6.5174 6.5304 6.8195 6.8302 6.9193 6.9470 7.3774 7.4325 10.9276 10.9633 12.6604 12.6814 12.8999 12.9166 14.3378 14.3541 k = 0.5000 0.0517-0.0549 ( 2452 PWs) bands (ev): -46.2433 -46.2433 -23.8959 -23.8942 -21.8849 -21.8829 -21.7785 -21.7748 -18.9645 -18.9645 -8.6823 -8.6729 -8.2436 -8.2304 -7.4248 -7.4234 -2.6553 -2.6449 -2.4203 -2.4070 -2.3483 -2.3456 3.3984 3.3993 5.3908 5.4120 5.5458 5.5657 6.1657 6.1951 6.3197 6.3518 6.5600 6.5698 6.8170 6.8346 6.9341 6.9497 7.3863 7.4438 10.9381 10.9800 12.6594 12.6833 12.9017 12.9210 14.3938 14.4128 k = 0.5000 0.0606-0.0638 ( 2450 PWs) bands (ev): -46.2432 -46.2432 -23.8966 -23.8947 -21.8855 -21.8832 -21.7802 -21.7759 -18.9643 -18.9643 -8.6715 -8.6607 -8.2372 -8.2219 -7.4259 -7.4243 -2.6568 -2.6448 -2.4215 -2.4060 -2.3509 -2.3476 3.3982 3.3993 5.3414 5.3617 5.5150 5.5336 6.1215 6.1557 6.2865 6.3375 6.6046 6.6119 6.8104 6.8296 6.9603 6.9673 7.3928 7.4511 10.9525 11.0001 12.6593 12.6858 12.9041 12.9258 14.4586 14.4799 k = 0.5000 0.0695-0.0727 ( 2454 PWs) bands (ev): -46.2432 -46.2432 -23.8974 -23.8952 -21.8861 -21.8835 -21.7821 -21.7772 -18.9641 -18.9641 -8.6590 -8.6467 -8.2295 -8.2123 -7.4271 -7.4252 -2.6586 -2.6450 -2.4227 -2.4051 -2.3537 -2.3500 3.3980 3.3992 5.2899 5.3092 5.4807 5.4981 6.0723 6.1112 6.2497 6.3175 6.6476 6.6545 6.8048 6.8224 6.9933 6.9957 7.3958 7.4537 10.9713 11.0242 12.6605 12.6891 12.9073 12.9312 14.5313 14.5546 k = 0.5000 0.0783-0.0816 ( 2454 PWs) bands (ev): -46.2432 -46.2432 -23.8983 -23.8958 -21.8868 -21.8839 -21.7841 -21.7787 -18.9639 -18.9638 -8.6448 -8.6312 -8.2208 -8.2016 -7.4284 -7.4263 -2.6606 -2.6454 -2.4240 -2.4045 -2.3567 -2.3525 3.3977 3.3991 5.2371 5.2555 5.4434 5.4598 6.0190 6.0614 6.2097 6.2917 6.6830 6.6937 6.8053 6.8227 7.0304 7.0304 7.3951 7.4515 10.9948 11.0524 12.6630 12.6935 12.9113 12.9372 14.6112 14.6362 k = 0.5000 0.0872-0.0905 ( 2458 PWs) bands (ev): -46.2432 -46.2432 -23.8992 -23.8965 -21.8875 -21.8844 -21.7864 -21.7805 -18.9636 -18.9635 -8.6290 -8.6140 -8.2109 -8.1898 -7.4298 -7.4274 -2.6629 -2.6462 -2.4255 -2.4041 -2.3599 -2.3554 3.3975 3.3991 5.1835 5.2011 5.4035 5.4191 5.9627 6.0071 6.1668 6.2598 6.7036 6.7203 6.8208 6.8388 7.0689 7.0702 7.3904 7.4445 11.0234 11.0851 12.6670 12.6991 12.9160 12.9438 14.6976 14.7241 k = 0.5000 0.0961-0.0994 ( 2460 PWs) bands (ev): -46.2431 -46.2431 -23.9002 -23.8973 -21.8883 -21.8849 -21.7888 -21.7824 -18.9633 -18.9632 -8.6115 -8.5953 -8.2000 -8.1771 -7.4313 -7.4286 -2.6655 -2.6474 -2.4273 -2.4042 -2.3631 -2.3583 3.3973 3.3990 5.1297 5.1465 5.3614 5.3763 5.9041 5.9490 6.1211 6.2221 6.7078 6.7304 6.8557 6.8714 7.1096 7.1119 7.3822 7.4331 11.0571 11.1225 12.6725 12.7059 12.9217 12.9513 14.7897 14.8174 k = 0.5000 0.1050-0.1083 ( 2464 PWs) bands (ev): -46.2431 -46.2431 -23.9013 -23.8981 -21.8892 -21.8855 -21.7914 -21.7844 -18.9630 -18.9629 -8.5925 -8.5750 -8.1880 -8.1634 -7.4328 -7.4298 -2.6684 -2.6489 -2.4293 -2.4049 -2.3662 -2.3614 3.3970 3.3989 5.0762 5.0923 5.3172 5.3317 5.8439 5.8882 6.0728 6.1789 6.7019 6.7306 6.9012 6.9142 7.1519 7.1548 7.3712 7.4183 11.0961 11.1645 12.6797 12.7143 12.9283 12.9596 14.8870 14.9156 k = 0.5000 0.1138-0.1172 ( 2458 PWs) bands (ev): -46.2429 -46.2429 -23.9024 -23.8990 -21.8901 -21.8861 -21.7941 -21.7867 -18.9627 -18.9626 -8.5719 -8.5533 -8.1749 -8.1488 -7.4343 -7.4311 -2.6716 -2.6508 -2.4316 -2.4064 -2.3691 -2.3646 3.3968 3.3988 5.0232 5.0387 5.2711 5.2855 5.7827 5.8255 6.0220 6.1307 6.6908 6.7254 6.9508 6.9617 7.1949 7.1983 7.3585 7.4011 11.1403 11.2113 12.6884 12.7241 12.9359 12.9689 14.9887 15.0181 k = 0.5000 0.1227-0.1261 ( 2458 PWs) bands (ev): -46.2428 -46.2428 -23.9036 -23.9000 -21.8910 -21.8868 -21.7970 -21.7891 -18.9623 -18.9622 -8.5498 -8.5302 -8.1608 -8.1333 -7.4358 -7.4323 -2.6751 -2.6532 -2.4343 -2.4087 -2.3719 -2.3677 3.3967 3.3988 4.9711 4.9861 5.2233 5.2377 5.7211 5.7619 5.9689 6.0782 6.6759 6.7157 7.0017 7.0112 7.2377 7.2418 7.3459 7.3834 11.1894 11.2625 12.6988 12.7355 12.9445 12.9792 15.0943 15.1242 k = 0.5000 0.1316-0.1351 ( 2460 PWs) bands (ev): -46.2428 -46.2428 -23.9049 -23.9011 -21.8920 -21.8876 -21.8000 -21.7917 -18.9619 -18.9618 -8.5263 -8.5057 -8.1457 -8.1169 -7.4373 -7.4334 -2.6791 -2.6560 -2.4375 -2.4121 -2.3745 -2.3706 3.3965 3.3988 4.9200 4.9346 5.1739 5.1884 5.6597 5.6980 5.9136 6.0221 6.6567 6.7010 7.0530 7.0614 7.2775 7.2836 7.3374 7.3680 11.2432 11.3179 12.7108 12.7485 12.9542 12.9906 15.2031 15.2334 k = 0.5000 0.1404-0.1440 ( 2458 PWs) bands (ev): -46.2426 -46.2426 -23.9062 -23.9022 -21.8930 -21.8884 -21.8032 -21.7944 -18.9614 -18.9613 -8.5014 -8.4800 -8.1297 -8.0997 -7.4387 -7.4345 -2.6834 -2.6593 -2.4413 -2.4164 -2.3772 -2.3732 3.3964 3.3988 4.8703 4.8846 5.1229 5.1376 5.5989 5.6345 5.8564 5.9628 6.6324 6.6801 7.1039 7.1115 7.3007 7.3161 7.3478 7.3640 11.3014 11.3774 12.7245 12.7632 12.9652 13.0031 15.3148 15.3452 k = 0.5000 0.1493-0.1529 ( 2450 PWs) bands (ev): -46.2424 -46.2424 -23.9076 -23.9034 -21.8941 -21.8893 -21.8064 -21.7973 -18.9610 -18.9609 -8.4752 -8.4530 -8.1127 -8.0817 -7.4401 -7.4356 -2.6880 -2.6630 -2.4456 -2.4215 -2.3802 -2.3754 3.3962 3.3988 4.8221 4.8361 5.0703 5.0854 5.5394 5.5721 5.7976 5.9011 6.6020 6.6522 7.1542 7.1613 7.3019 7.3221 7.3835 7.3901 11.3637 11.4406 12.7398 12.7794 12.9773 13.0168 15.4287 15.4591 k = 0.5000 0.1582-0.1618 ( 2456 PWs) bands (ev): -46.2424 -46.2424 -23.9090 -23.9047 -21.8952 -21.8902 -21.8098 -21.8003 -18.9605 -18.9604 -8.4477 -8.4249 -8.0948 -8.0630 -7.4413 -7.4365 -2.6931 -2.6672 -2.4505 -2.4274 -2.3836 -2.3774 3.3962 3.3989 4.7755 4.7893 5.0161 5.0317 5.4813 5.5111 5.7375 5.8374 6.5648 6.6164 7.2035 7.2103 7.3013 7.3188 7.4255 7.4303 11.4296 11.5071 12.7566 12.7971 12.9907 13.0317 15.5443 15.5745 k = 0.5000 0.1671-0.1707 ( 2458 PWs) bands (ev): -46.2423 -46.2423 -23.9105 -23.9060 -21.8963 -21.8912 -21.8132 -21.8034 -18.9600 -18.9599 -8.4191 -8.3957 -8.0761 -8.0436 -7.4425 -7.4373 -2.6985 -2.6719 -2.4559 -2.4339 -2.3873 -2.3794 3.3961 3.3990 4.7306 4.7444 4.9605 4.9766 5.4250 5.4520 5.6762 5.7721 6.5206 6.5725 7.2510 7.2580 7.3054 7.3187 7.4684 7.4727 11.4986 11.5765 12.7751 12.8165 13.0053 13.0478 15.6612 15.6910 k = 0.5000 0.1759-0.1796 ( 2460 PWs) bands (ev): -46.2423 -46.2423 -23.9120 -23.9073 -21.8975 -21.8923 -21.8168 -21.8066 -18.9595 -18.9594 -8.3894 -8.3656 -8.0565 -8.0236 -7.4435 -7.4379 -2.7043 -2.6769 -2.4619 -2.4410 -2.3912 -2.3816 3.3961 3.3991 4.6875 4.7014 4.9035 4.9202 5.3709 5.3951 5.6142 5.7057 6.4695 6.5208 7.2919 7.3018 7.3206 7.3260 7.5111 7.5152 11.5704 11.6484 12.7951 12.8373 13.0212 13.0651 15.7788 15.8080 k = 0.5000 0.1848-0.1885 ( 2454 PWs) bands (ev): -46.2421 -46.2421 -23.9135 -23.9087 -21.8986 -21.8933 -21.8203 -21.8099 -18.9589 -18.9588 -8.3586 -8.3346 -8.0362 -8.0030 -7.4444 -7.4384 -2.7104 -2.6824 -2.4684 -2.4485 -2.3955 -2.3843 3.3961 3.3992 4.6460 4.6602 4.8454 4.8626 5.3189 5.3407 5.5516 5.6386 6.4122 6.4620 7.3146 7.3276 7.3546 7.3586 7.5533 7.5573 11.6446 11.7225 12.8166 12.8596 13.0384 13.0836 15.8967 15.9251 k = 0.5000 0.1937-0.1974 ( 2460 PWs) bands (ev): -46.2420 -46.2420 -23.9151 -23.9102 -21.8998 -21.8945 -21.8240 -21.8133 -18.9584 -18.9583 -8.3269 -8.3027 -8.0151 -7.9819 -7.4451 -7.4387 -2.7168 -2.6882 -2.4754 -2.4564 -2.4003 -2.3874 3.3961 3.3993 4.6061 4.6209 4.7863 4.8043 5.2692 5.2887 5.4887 5.5711 6.3494 6.3970 7.3330 7.3439 7.3983 7.4028 7.5947 7.5987 11.7207 11.7982 12.8395 12.8834 13.0568 13.1033 16.0143 16.0418 k = 0.5000 0.2026-0.2063 ( 2454 PWs) bands (ev): -46.2418 -46.2418 -23.9166 -23.9117 -21.9011 -21.8956 -21.8276 -21.8168 -18.9578 -18.9577 -8.2944 -8.2702 -7.9933 -7.9604 -7.4456 -7.4388 -2.7235 -2.6944 -2.4827 -2.4646 -2.4055 -2.3911 3.3961 3.3995 4.5674 4.5832 4.7269 4.7458 5.2219 5.2393 5.4259 5.5036 6.2818 6.3268 7.3538 7.3633 7.4426 7.4471 7.6352 7.6392 11.7983 11.8755 12.8639 12.9085 13.0765 13.1242 16.1310 16.1574 k = 0.5000 0.2114-0.2152 ( 2452 PWs) bands (ev): -46.2417 -46.2417 -23.9182 -23.9132 -21.9023 -21.8969 -21.8313 -21.8203 -18.9572 -18.9571 -8.2611 -8.2370 -7.9709 -7.9385 -7.4459 -7.4387 -2.7306 -2.7010 -2.4905 -2.4731 -2.4112 -2.3955 3.3962 3.3996 4.5294 4.5466 4.6678 4.6878 5.1769 5.1925 5.3633 5.4364 6.2105 6.2525 7.3778 7.3860 7.4862 7.4907 7.6746 7.6787 11.8771 11.9537 12.8896 12.9349 13.0973 13.1461 16.2462 16.2712 k = 0.5000 0.2203-0.2241 ( 2452 PWs) bands (ev): -46.2415 -46.2415 -23.9199 -23.9147 -21.9036 -21.8981 -21.8350 -21.8239 -18.9566 -18.9565 -8.2272 -8.2033 -7.9478 -7.9163 -7.4460 -7.4383 -2.7379 -2.7079 -2.4985 -2.4818 -2.4175 -2.4005 3.3962 3.3997 4.4910 4.5100 4.6104 4.6317 5.1340 5.1480 5.3012 5.3697 6.1361 6.1749 7.4046 7.4119 7.5289 7.5333 7.7130 7.7170 11.9566 12.0327 12.9166 12.9625 13.1193 13.1692 16.3592 16.3825 k = 0.5000 0.2292-0.2330 ( 2452 PWs) bands (ev): -46.2414 -46.2414 -23.9215 -23.9163 -21.9049 -21.8994 -21.8387 -21.8275 -18.9559 -18.9558 -8.1927 -8.1692 -7.9241 -7.8938 -7.4459 -7.4377 -2.7454 -2.7150 -2.5068 -2.4907 -2.4244 -2.4063 3.3962 3.3998 4.4504 4.4711 4.5573 4.5794 5.0933 5.1060 5.2397 5.3038 6.0595 6.0950 7.4338 7.4405 7.5706 7.5750 7.7502 7.7542 12.0366 12.1120 12.9448 12.9913 13.1424 13.1932 16.4691 16.4905 k = 0.5000 0.2381-0.2419 ( 2448 PWs) bands (ev): -46.2412 -46.2412 -23.9231 -23.9179 -21.9062 -21.9008 -21.8424 -21.8311 -18.9553 -18.9552 -8.1578 -8.1348 -7.9000 -7.8711 -7.4455 -7.4369 -2.7531 -2.7224 -2.5153 -2.4998 -2.4319 -2.4128 3.3961 3.3998 4.4057 4.4266 4.5119 4.5332 5.0545 5.0660 5.1792 5.2390 5.9814 6.0135 7.4652 7.4713 7.6113 7.6156 7.7862 7.7902 12.1167 12.1913 12.9743 13.0212 13.1666 13.2181 16.5749 16.5941 k = 0.5000 0.2469-0.2508 ( 2444 PWs) bands (ev): -46.2410 -46.2410 -23.9247 -23.9195 -21.9075 -21.9022 -21.8460 -21.8347 -18.9546 -18.9545 -8.1227 -8.1002 -7.8753 -7.8483 -7.4448 -7.4358 -2.7611 -2.7301 -2.5240 -2.5090 -2.4401 -2.4201 3.3959 3.3997 4.3557 4.3751 4.4757 4.4944 5.0175 5.0281 5.1198 5.1756 5.9024 5.9311 7.4984 7.5039 7.6510 7.6552 7.8208 7.8249 12.1967 12.2705 13.0048 13.0520 13.1918 13.2440 16.6754 16.6919 k = 0.5000 0.2558-0.2597 ( 2438 PWs) bands (ev): -46.2408 -46.2408 -23.9263 -23.9211 -21.9088 -21.9036 -21.8495 -21.8383 -18.9540 -18.9539 -8.0875 -8.0654 -7.8503 -7.8254 -7.4440 -7.4344 -2.7692 -2.7380 -2.5328 -2.5183 -2.4489 -2.4280 3.3957 3.3995 4.3011 4.3185 4.4470 4.4626 4.9821 4.9920 5.0618 5.1138 5.8231 5.8484 7.5331 7.5381 7.6896 7.6938 7.8542 7.8583 12.2761 12.3491 13.0363 13.0838 13.2179 13.2706 16.7691 16.7827 k = 0.5000 0.2647-0.2686 ( 2438 PWs) bands (ev): -46.2407 -46.2407 -23.9280 -23.9228 -21.9101 -21.9050 -21.8531 -21.8419 -18.9533 -18.9532 -8.0523 -8.0305 -7.8248 -7.8026 -7.4428 -7.4327 -2.7774 -2.7460 -2.5417 -2.5276 -2.4583 -2.4367 3.3953 3.3992 4.2436 4.2595 4.4231 4.4363 4.9481 4.9574 5.0056 5.0541 5.7439 5.7660 7.5690 7.5736 7.7272 7.7314 7.8862 7.8903 12.3548 12.4269 13.0688 13.1163 13.2449 13.2978 16.8545 16.8646 k = 0.5000 0.2736-0.2775 ( 2428 PWs) bands (ev): -46.2404 -46.2404 -23.9295 -23.9244 -21.9114 -21.9065 -21.8565 -21.8454 -18.9526 -18.9525 -8.0174 -7.9957 -7.7991 -7.7799 -7.4414 -7.4308 -2.7858 -2.7543 -2.5506 -2.5369 -2.4683 -2.4460 3.3947 3.3987 4.1846 4.1994 4.4025 4.4141 4.9151 4.9231 4.9523 4.9970 5.6655 5.6844 7.6059 7.6101 7.7638 7.7679 7.9168 7.9210 12.4325 12.5037 13.1021 13.1495 13.2726 13.3257 16.9298 16.9362 k = 0.5000 0.2824-0.2864 ( 2430 PWs) bands (ev): -46.2403 -46.2403 -23.9311 -23.9260 -21.9127 -21.9080 -21.8598 -21.8489 -18.9519 -18.9519 -7.9829 -7.9609 -7.7731 -7.7573 -7.4397 -7.4286 -2.7942 -2.7626 -2.5595 -2.5462 -2.4789 -2.4561 3.3939 3.3980 4.1252 4.1393 4.3844 4.3948 4.8820 4.8848 4.9065 4.9434 5.5883 5.6040 7.6435 7.6473 7.7994 7.8035 7.9461 7.9503 12.5089 12.5791 13.1361 13.1832 13.3011 13.3541 16.9931 16.9963 k = 0.5000 0.2913-0.2953 ( 2430 PWs) bands (ev): -46.2402 -46.2402 -23.9327 -23.9276 -21.9141 -21.9096 -21.8631 -21.8524 -18.9513 -18.9512 -7.9491 -7.9262 -7.7470 -7.7349 -7.4377 -7.4261 -2.8027 -2.7711 -2.5683 -2.5555 -2.4899 -2.4666 3.3929 3.3970 4.0661 4.0797 4.3681 4.3778 4.8386 4.8472 4.8721 4.8955 5.5126 5.5254 7.6816 7.6850 7.8339 7.8380 7.9740 7.9782 12.5837 12.6529 13.1708 13.2175 13.3302 13.3829 17.0417 17.0458 k = 0.5000 0.3002-0.3042 ( 2430 PWs) bands (ev): -46.2401 -46.2401 -23.9342 -23.9292 -21.9154 -21.9111 -21.8662 -21.8558 -18.9506 -18.9506 -7.9161 -7.8917 -7.7210 -7.7126 -7.4355 -7.4233 -2.8112 -2.7797 -2.5771 -2.5647 -2.5013 -2.4777 3.3916 3.3957 4.0078 4.0209 4.3532 4.3623 4.7909 4.8081 4.8429 4.8557 5.4390 5.4490 7.7200 7.7231 7.8674 7.8716 8.0005 8.0048 12.6567 12.7249 13.2060 13.2520 13.3598 13.4119 17.0762 17.0839 k = 0.5000 0.3091-0.3131 ( 2430 PWs) bands (ev): -46.2400 -46.2400 -23.9357 -23.9308 -21.9167 -21.9127 -21.8692 -21.8590 -18.9499 -18.9499 -7.8841 -7.8575 -7.6957 -7.6899 -7.4329 -7.4203 -2.8197 -2.7883 -2.5857 -2.5737 -2.5131 -2.4892 3.3900 3.3942 3.9507 3.9632 4.3391 4.3478 4.7449 4.7656 4.8161 4.8236 5.3677 5.3750 7.7584 7.7612 7.8999 7.9041 8.0256 8.0300 12.7277 12.7948 13.2418 13.2868 13.3899 13.4412 17.0988 17.1103 k = 0.5000 0.3179-0.3220 ( 2434 PWs) bands (ev): -46.2399 -46.2399 -23.9371 -23.9323 -21.9180 -21.9143 -21.8721 -21.8623 -18.9493 -18.9493 -7.8532 -7.8238 -7.6725 -7.6656 -7.4301 -7.4170 -2.8282 -2.7970 -2.5942 -2.5826 -2.5252 -2.5010 3.3880 3.3922 3.8950 3.9070 4.3254 4.3335 4.7017 4.7230 4.7910 4.7960 5.2990 5.3040 7.7967 7.7993 7.9314 7.9356 8.0494 8.0538 12.7964 12.8624 13.2778 13.3217 13.4205 13.4706 17.1114 17.1262 k = 0.5000 0.3268-0.3309 ( 2430 PWs) bands (ev): -46.2397 -46.2397 -23.9385 -23.9338 -21.9193 -21.9159 -21.8748 -21.8653 -18.9486 -18.9486 -7.8235 -7.7908 -7.6513 -7.6400 -7.4270 -7.4135 -2.8366 -2.8057 -2.6024 -2.5913 -2.5373 -2.5131 3.3857 3.3899 3.8410 3.8524 4.3113 4.3190 4.6620 4.6827 4.7673 4.7710 5.2334 5.2361 7.8347 7.8370 7.9618 7.9661 8.0718 8.0764 12.8626 12.9273 13.3142 13.3566 13.4513 13.5000 17.1160 17.1336 k = 0.5000 0.3357-0.3398 ( 2430 PWs) bands (ev): -46.2396 -46.2396 -23.9398 -23.9353 -21.9206 -21.9175 -21.8774 -21.8683 -18.9480 -18.9480 -7.7951 -7.7586 -7.6309 -7.6143 -7.4236 -7.4096 -2.8448 -2.8144 -2.6104 -2.5997 -2.5496 -2.5254 3.3829 3.3871 3.7888 3.7996 4.2963 4.3033 4.6263 4.6458 4.7448 4.7479 5.1710 5.1718 7.8722 7.8743 7.9912 7.9955 8.0929 8.0976 12.9260 12.9893 13.3508 13.3914 13.4824 13.5294 17.1144 17.1345 k = 0.5000 0.3446-0.3487 ( 2430 PWs) bands (ev): -46.2395 -46.2395 -23.9411 -23.9368 -21.9219 -21.9192 -21.8798 -21.8712 -18.9474 -18.9474 -7.7680 -7.7276 -7.6112 -7.5888 -7.4199 -7.4056 -2.8529 -2.8230 -2.6182 -2.6080 -2.5618 -2.5377 3.3797 3.3839 3.7388 3.7489 4.2798 4.2860 4.5953 4.6132 4.7236 4.7261 5.1112 5.1120 7.9090 7.9109 8.0194 8.0239 8.1126 8.1175 12.9865 13.0482 13.3874 13.4258 13.5137 13.5585 17.1083 17.1306 k = 0.5000 0.3534-0.3576 ( 2432 PWs) bands (ev): -46.2394 -46.2394 -23.9424 -23.9382 -21.9232 -21.9208 -21.8821 -21.8739 -18.9468 -18.9468 -7.7423 -7.6980 -7.5920 -7.5638 -7.4159 -7.4013 -2.8609 -2.8316 -2.6256 -2.6159 -2.5739 -2.5501 3.3761 3.3802 3.6909 3.7002 4.2613 4.2665 4.5694 4.5855 4.7035 4.7055 5.0546 5.0567 7.9449 7.9466 8.0465 8.0511 8.1311 8.1362 13.0439 13.1036 13.4240 13.4599 13.5449 13.5874 17.0991 17.1234 k = 0.5000 0.3623-0.3665 ( 2432 PWs) bands (ev): -46.2393 -46.2393 -23.9435 -23.9395 -21.9245 -21.9223 -21.8842 -21.8765 -18.9462 -18.9462 -7.7179 -7.6701 -7.5733 -7.5394 -7.4117 -7.3968 -2.8685 -2.8401 -2.6327 -2.6235 -2.5857 -2.5623 3.3719 3.3760 3.6454 3.6539 4.2405 4.2447 4.5486 4.5627 4.6844 4.6860 5.0020 5.0053 7.9797 7.9813 8.0725 8.0772 8.1484 8.1536 13.0980 13.1555 13.4604 13.4934 13.5760 13.6158 17.0881 17.1141 k = 0.5000 0.3712-0.3754 ( 2434 PWs) bands (ev): -46.2393 -46.2393 -23.9446 -23.9408 -21.9257 -21.9239 -21.8861 -21.8789 -18.9457 -18.9457 -7.6950 -7.6443 -7.5547 -7.5159 -7.4072 -7.3922 -2.8760 -2.8484 -2.6395 -2.6308 -2.5972 -2.5743 3.3673 3.3713 3.6024 3.6101 4.2177 4.2208 4.5328 4.5450 4.6663 4.6675 4.9537 4.9577 8.0132 8.0148 8.0972 8.1021 8.1643 8.1699 13.1486 13.2035 13.4965 13.5263 13.6069 13.6438 17.0761 17.1038 k = 0.5000 0.3801-0.3843 ( 2434 PWs) bands (ev): -46.2392 -46.2392 -23.9457 -23.9421 -21.9269 -21.9254 -21.8879 -21.8812 -18.9452 -18.9451 -7.6735 -7.6209 -7.5362 -7.4933 -7.4024 -7.3873 -2.8830 -2.8566 -2.6458 -2.6378 -2.6082 -2.5860 3.3623 3.3662 3.5620 3.5689 4.1932 4.1953 4.5214 4.5317 4.6490 4.6499 4.9095 4.9140 8.0454 8.0468 8.1206 8.1258 8.1791 8.1850 13.1957 13.2477 13.5319 13.5582 13.6373 13.6711 17.0641 17.0933 k = 0.5000 0.3889-0.3932 ( 2438 PWs) bands (ev): -46.2392 -46.2392 -23.9466 -23.9433 -21.9281 -21.9268 -21.8895 -21.8833 -18.9447 -18.9447 -7.6535 -7.6002 -7.5177 -7.4719 -7.3974 -7.3824 -2.8898 -2.8645 -2.6518 -2.6443 -2.6188 -2.5974 3.3568 3.3605 3.5242 3.5303 4.1676 4.1689 4.5137 4.5223 4.6327 4.6331 4.8696 4.8744 8.0758 8.0773 8.1426 8.1483 8.1927 8.1990 13.2392 13.2879 13.5665 13.5891 13.6671 13.6976 17.0526 17.0832 k = 0.5000 0.3978-0.4021 ( 2438 PWs) bands (ev): -46.2391 -46.2391 -23.9475 -23.9444 -21.9292 -21.9282 -21.8910 -21.8853 -18.9442 -18.9442 -7.6350 -7.5824 -7.4992 -7.4518 -7.3923 -7.3773 -2.8961 -2.8722 -2.6573 -2.6505 -2.6286 -2.6083 3.3510 3.3545 3.4893 3.4946 4.1418 4.1425 4.5089 4.5161 4.6171 4.6173 4.8339 4.8387 8.1045 8.1060 8.1632 8.1694 8.2052 8.2120 13.2790 13.3241 13.5999 13.6188 13.6960 13.7233 17.0422 17.0741 k = 0.5000 0.4067-0.4110 ( 2436 PWs) bands (ev): -46.2390 -46.2390 -23.9483 -23.9454 -21.9303 -21.9295 -21.8923 -21.8872 -18.9438 -18.9437 -7.6179 -7.5674 -7.4808 -7.4333 -7.3870 -7.3722 -2.9020 -2.8796 -2.6624 -2.6562 -2.6378 -2.6187 3.3449 3.3482 3.4572 3.4618 4.1163 4.1166 4.5064 4.5123 4.6023 4.6024 4.8022 4.8068 8.1312 8.1328 8.1823 8.1891 8.2166 8.2241 13.3153 13.3566 13.6317 13.6469 13.7239 13.7480 17.0333 17.0664 k = 0.5000 0.4155-0.4199 ( 2438 PWs) bands (ev): -46.2389 -46.2389 -23.9491 -23.9464 -21.9313 -21.9307 -21.8935 -21.8888 -18.9434 -18.9433 -7.6023 -7.5550 -7.4630 -7.4164 -7.3815 -7.3671 -2.9073 -2.8866 -2.6670 -2.6615 -2.6463 -2.6284 3.3386 3.3416 3.4281 3.4319 4.0917 4.0921 4.5056 4.5105 4.5881 4.5886 4.7744 4.7787 8.1557 8.1574 8.1998 8.2074 8.2269 8.2353 13.3480 13.3852 13.6616 13.6734 13.7503 13.7714 17.0263 17.0605 k = 0.5000 0.4244-0.4288 ( 2436 PWs) bands (ev): -46.2388 -46.2388 -23.9497 -23.9473 -21.9322 -21.9318 -21.8945 -21.8903 -18.9430 -18.9430 -7.5882 -7.5449 -7.4460 -7.4016 -7.3757 -7.3620 -2.9122 -2.8933 -2.6711 -2.6664 -2.6539 -2.6375 3.3322 3.3350 3.4018 3.4050 4.0687 4.0692 4.5061 4.5100 4.5750 4.5757 4.7503 4.7542 8.1779 8.1797 8.2155 8.2241 8.2362 8.2458 13.3772 13.4103 13.6892 13.6979 13.7752 13.7935 17.0214 17.0564 k = 0.5000 0.4333-0.4377 ( 2440 PWs) bands (ev): -46.2389 -46.2389 -23.9503 -23.9481 -21.9331 -21.9328 -21.8953 -21.8917 -18.9427 -18.9427 -7.5755 -7.5368 -7.4301 -7.3894 -7.3694 -7.3570 -2.9164 -2.8995 -2.6747 -2.6708 -2.6607 -2.6458 3.3260 3.3284 3.3786 3.3811 4.0476 4.0482 4.5073 4.5105 4.5630 4.5638 4.7296 4.7330 8.1976 8.1995 8.2293 8.2388 8.2452 8.2557 13.4030 13.4320 13.7142 13.7203 13.7981 13.8138 17.0186 17.0543 k = 0.5000 0.4422-0.4466 ( 2444 PWs) bands (ev): -46.2389 -46.2389 -23.9507 -23.9489 -21.9339 -21.9337 -21.8960 -21.8929 -18.9424 -18.9424 -7.5642 -7.5305 -7.4158 -7.3801 -7.3622 -7.3522 -2.9201 -2.9052 -2.6778 -2.6746 -2.6666 -2.6534 3.3200 3.3221 3.3583 3.3603 4.0288 4.0295 4.5091 4.5116 4.5521 4.5530 4.7122 4.7151 8.2147 8.2167 8.2411 8.2494 8.2556 8.2651 13.4255 13.4504 13.7363 13.7403 13.8189 13.8322 17.0180 17.0540 k = 0.5000 0.4510-0.4555 ( 2442 PWs) bands (ev): -46.2388 -46.2388 -23.9511 -23.9496 -21.9345 -21.9344 -21.8966 -21.8940 -18.9421 -18.9421 -7.5543 -7.5258 -7.4032 -7.3737 -7.3546 -7.3476 -2.9231 -2.9103 -2.6804 -2.6780 -2.6715 -2.6601 3.3144 3.3162 3.3410 3.3426 4.0126 4.0133 4.5110 4.5131 4.5426 4.5435 4.6978 4.7002 8.2290 8.2311 8.2509 8.2564 8.2670 8.2740 13.4448 13.4656 13.7554 13.7579 13.8374 13.8484 17.0194 17.0549 k = 0.5000 0.4599-0.4644 ( 2440 PWs) bands (ev): -46.2387 -46.2387 -23.9514 -23.9501 -21.9351 -21.9351 -21.8970 -21.8949 -18.9419 -18.9419 -7.5456 -7.5225 -7.3925 -7.3695 -7.3475 -7.3433 -2.9254 -2.9149 -2.6824 -2.6808 -2.6754 -2.6659 3.3095 3.3109 3.3267 3.3280 3.9990 3.9996 4.5130 4.5146 4.5346 4.5355 4.6862 4.6881 8.2405 8.2427 8.2590 8.2620 8.2773 8.2821 13.4610 13.4777 13.7713 13.7727 13.8533 13.8621 17.0224 17.0560 k = 0.5000 0.4688-0.4733 ( 2440 PWs) bands (ev): -46.2387 -46.2387 -23.9516 -23.9506 -21.9356 -21.9356 -21.8973 -21.8957 -18.9417 -18.9417 -7.5383 -7.5205 -7.3836 -7.3667 -7.3415 -7.3395 -2.9270 -2.9188 -2.6840 -2.6831 -2.6784 -2.6708 3.3054 3.3065 3.3155 3.3163 3.9881 3.9887 4.5148 4.5159 4.5282 4.5289 4.6772 4.6786 8.2492 8.2512 8.2654 8.2669 8.2858 8.2889 13.4741 13.4869 13.7840 13.7846 13.8663 13.8730 17.0263 17.0554 k = 0.5000 0.4777-0.4822 ( 2440 PWs) bands (ev): -46.2387 -46.2387 -23.9517 -23.9510 -21.9360 -21.9359 -21.8975 -21.8963 -18.9416 -18.9416 -7.5323 -7.5198 -7.3767 -7.3653 -7.3370 -7.3363 -2.9278 -2.9221 -2.6851 -2.6848 -2.6803 -2.6748 3.3022 3.3030 3.3072 3.3077 3.9801 3.9805 4.5161 4.5168 4.5236 4.5241 4.6707 4.6717 8.2553 8.2570 8.2704 8.2709 8.2923 8.2943 13.4843 13.4932 13.7934 13.7936 13.8764 13.8811 17.0303 17.0517 k = 0.5000 0.4865-0.4911 ( 2440 PWs) bands (ev): -46.2387 -46.2387 -23.9517 -23.9513 -21.9362 -21.9362 -21.8975 -21.8968 -18.9415 -18.9415 -7.5274 -7.5203 -7.3715 -7.3651 -7.3341 -7.3340 -2.9280 -2.9246 -2.6859 -2.6858 -2.6812 -2.6779 3.3001 3.3005 3.3018 3.3022 3.9749 3.9751 4.5166 4.5168 4.5212 4.5214 4.6665 4.6671 8.2591 8.2602 8.2737 8.2738 8.2967 8.2978 13.4915 13.4966 13.7995 13.7995 13.8833 13.8860 17.0341 17.0462 k = 0.5000 0.4954-0.5000 ( 2440 PWs) bands (ev): -46.2386 -46.2386 -23.9517 -23.9516 -21.9363 -21.9363 -21.8974 -21.8972 -18.9415 -18.9415 -7.5238 -7.5220 -7.3679 -7.3663 -7.3329 -7.3329 -2.9273 -2.9265 -2.6863 -2.6863 -2.6808 -2.6800 3.2992 3.2992 3.2996 3.2997 3.9726 3.9726 4.5164 4.5164 4.5205 4.5205 4.6648 4.6649 8.2611 8.2614 8.2752 8.2752 8.2990 8.2992 13.4958 13.4971 13.8023 13.8023 13.8871 13.8878 17.0379 17.0410 k = 0.5031 0.4985 0.4939 ( 2440 PWs) bands (ev): -46.2386 -46.2386 -23.9517 -23.9516 -21.9363 -21.9363 -21.8974 -21.8972 -18.9415 -18.9415 -7.5238 -7.5220 -7.3679 -7.3663 -7.3329 -7.3329 -2.9273 -2.9265 -2.6863 -2.6863 -2.6808 -2.6800 3.2992 3.2992 3.2996 3.2997 3.9726 3.9726 4.5164 4.5164 4.5205 4.5205 4.6648 4.6649 8.2611 8.2614 8.2752 8.2752 8.2990 8.2992 13.4958 13.4971 13.8023 13.8023 13.8871 13.8878 17.0379 17.0410 k = 0.5000 0.4985 0.4969 ( 2440 PWs) bands (ev): -46.2386 -46.2386 -23.9516 -23.9516 -21.9363 -21.9363 -21.8973 -21.8973 -18.9415 -18.9415 -7.5228 -7.5228 -7.3670 -7.3670 -7.3328 -7.3328 -2.9270 -2.9270 -2.6863 -2.6863 -2.6805 -2.6805 3.2991 3.2991 3.2995 3.2995 3.9724 3.9724 4.5164 4.5164 4.5205 4.5205 4.6647 4.6647 8.2613 8.2613 8.2753 8.2753 8.2992 8.2992 13.4966 13.4966 13.8025 13.8025 13.8876 13.8876 17.0394 17.0394 k = 0.5000 0.4985 0.4969 ( 2440 PWs) bands (ev): -46.2386 -46.2386 -23.9516 -23.9516 -21.9363 -21.9363 -21.8973 -21.8973 -18.9415 -18.9415 -7.5228 -7.5228 -7.3670 -7.3670 -7.3328 -7.3328 -2.9270 -2.9270 -2.6863 -2.6863 -2.6805 -2.6805 3.2991 3.2991 3.2995 3.2995 3.9724 3.9724 4.5164 4.5164 4.5205 4.5205 4.6647 4.6647 8.2613 8.2613 8.2753 8.2753 8.2992 8.2992 13.4966 13.4966 13.8025 13.8025 13.8876 13.8876 17.0394 17.0394 k = 0.4926 0.4911 0.4896 ( 2440 PWs) bands (ev): -46.2387 -46.2387 -23.9516 -23.9516 -21.9362 -21.9362 -21.8972 -21.8972 -18.9415 -18.9415 -7.5235 -7.5235 -7.3678 -7.3678 -7.3334 -7.3334 -2.9266 -2.9266 -2.6860 -2.6860 -2.6799 -2.6799 3.3003 3.3007 3.3009 3.3009 3.9736 3.9736 4.5171 4.5171 4.5210 4.5213 4.6647 4.6647 8.2602 8.2602 8.2741 8.2742 8.2986 8.2986 13.4952 13.4952 13.8004 13.8014 13.8860 13.8860 17.0412 17.0412 k = 0.4853 0.4838 0.4823 ( 2443 PWs) bands (ev): -46.2387 -46.2387 -23.9514 -23.9514 -21.9360 -21.9360 -21.8970 -21.8970 -18.9416 -18.9416 -7.5255 -7.5255 -7.3702 -7.3702 -7.3352 -7.3352 -2.9255 -2.9255 -2.6852 -2.6852 -2.6783 -2.6783 3.3044 3.3050 3.3050 3.3052 3.9770 3.9770 4.5191 4.5191 4.5229 4.5235 4.6647 4.6647 8.2567 8.2567 8.2705 8.2708 8.2967 8.2967 13.4909 13.4909 13.7952 13.7972 13.8812 13.8812 17.0466 17.0466 k = 0.4779 0.4765 0.4750 ( 2449 PWs) bands (ev): -46.2388 -46.2388 -23.9512 -23.9512 -21.9357 -21.9357 -21.8967 -21.8967 -18.9417 -18.9417 -7.5290 -7.5290 -7.3743 -7.3743 -7.3382 -7.3381 -2.9236 -2.9236 -2.6839 -2.6839 -2.6756 -2.6756 3.3114 3.3119 3.3119 3.3126 3.9827 3.9827 4.5225 4.5225 4.5262 4.5270 4.6647 4.6647 8.2509 8.2509 8.2646 8.2650 8.2935 8.2935 13.4837 13.4837 13.7868 13.7899 13.8732 13.8732 17.0554 17.0554 k = 0.4706 0.4691 0.4677 ( 2449 PWs) bands (ev): -46.2388 -46.2388 -23.9509 -23.9509 -21.9352 -21.9352 -21.8962 -21.8962 -18.9419 -18.9419 -7.5338 -7.5338 -7.3798 -7.3798 -7.3423 -7.3423 -2.9210 -2.9210 -2.6820 -2.6820 -2.6718 -2.6718 3.3212 3.3215 3.3215 3.3228 3.9907 3.9907 4.5273 4.5273 4.5308 4.5319 4.6648 4.6648 8.2429 8.2429 8.2564 8.2569 8.2891 8.2891 13.4738 13.4738 13.7754 13.7794 13.8621 13.8621 17.0677 17.0677 k = 0.4632 0.4618 0.4604 ( 2449 PWs) bands (ev): -46.2389 -46.2389 -23.9505 -23.9505 -21.9346 -21.9346 -21.8956 -21.8956 -18.9421 -18.9421 -7.5400 -7.5400 -7.3869 -7.3869 -7.3477 -7.3476 -2.9178 -2.9178 -2.6797 -2.6797 -2.6670 -2.6670 3.3338 3.3338 3.3339 3.3359 4.0008 4.0008 4.5335 4.5335 4.5367 4.5381 4.6652 4.6652 8.2325 8.2325 8.2459 8.2466 8.2836 8.2836 13.4612 13.4612 13.7609 13.7659 13.8479 13.8479 17.0832 17.0832 k = 0.4559 0.4545 0.4531 ( 2455 PWs) bands (ev): -46.2390 -46.2390 -23.9500 -23.9500 -21.9338 -21.9338 -21.8949 -21.8949 -18.9423 -18.9423 -7.5476 -7.5476 -7.3955 -7.3955 -7.3541 -7.3540 -2.9138 -2.9138 -2.6768 -2.6768 -2.6612 -2.6612 3.3488 3.3488 3.3494 3.3518 4.0129 4.0129 4.5410 4.5410 4.5441 4.5458 4.6659 4.6659 8.2200 8.2200 8.2333 8.2341 8.2768 8.2768 13.4459 13.4459 13.7433 13.7494 13.8305 13.8305 17.1018 17.1018 k = 0.4485 0.4472 0.4458 ( 2455 PWs) bands (ev): -46.2390 -46.2390 -23.9494 -23.9494 -21.9329 -21.9329 -21.8940 -21.8940 -18.9426 -18.9426 -7.5566 -7.5566 -7.4054 -7.4054 -7.3617 -7.3616 -2.9093 -2.9093 -2.6735 -2.6734 -2.6543 -2.6543 3.3665 3.3665 3.3677 3.3705 4.0270 4.0270 4.5500 4.5500 4.5528 4.5548 4.6671 4.6671 8.2053 8.2053 8.2186 8.2196 8.2689 8.2689 13.4280 13.4280 13.7228 13.7299 13.8102 13.8102 17.1231 17.1231 k = 0.4412 0.4398 0.4385 ( 2446 PWs) bands (ev): -46.2389 -46.2389 -23.9487 -23.9487 -21.9319 -21.9319 -21.8930 -21.8930 -18.9429 -18.9429 -7.5670 -7.5670 -7.4166 -7.4166 -7.3704 -7.3702 -2.9042 -2.9042 -2.6697 -2.6696 -2.6465 -2.6465 3.3868 3.3868 3.3888 3.3920 4.0429 4.0429 4.5604 4.5604 4.5630 4.5652 4.6691 4.6691 8.1886 8.1886 8.2019 8.2030 8.2600 8.2600 13.4076 13.4076 13.6994 13.7075 13.7869 13.7869 17.1469 17.1469 k = 0.4338 0.4325 0.4312 ( 2434 PWs) bands (ev): -46.2388 -46.2388 -23.9479 -23.9479 -21.9307 -21.9307 -21.8918 -21.8918 -18.9433 -18.9433 -7.5787 -7.5787 -7.4290 -7.4290 -7.3801 -7.3800 -2.8985 -2.8985 -2.6654 -2.6654 -2.6378 -2.6378 3.4098 3.4098 3.4125 3.4162 4.0605 4.0605 4.5721 4.5721 4.5745 4.5770 4.6721 4.6721 8.1699 8.1699 8.1832 8.1844 8.2499 8.2499 13.3847 13.3847 13.6731 13.6822 13.7607 13.7607 17.1728 17.1728 k = 0.4265 0.4252 0.4239 ( 2428 PWs) bands (ev): -46.2388 -46.2388 -23.9470 -23.9470 -21.9294 -21.9294 -21.8906 -21.8906 -18.9437 -18.9437 -7.5919 -7.5919 -7.4425 -7.4425 -7.3909 -7.3907 -2.8924 -2.8924 -2.6607 -2.6607 -2.6282 -2.6282 3.4353 3.4353 3.4390 3.4430 4.0796 4.0796 4.5853 4.5853 4.5875 4.5903 4.6763 4.6763 8.1493 8.1493 8.1628 8.1641 8.2388 8.2388 13.3594 13.3594 13.6441 13.6542 13.7318 13.7318 17.2004 17.2004 k = 0.4191 0.4178 0.4166 ( 2422 PWs) bands (ev): -46.2388 -46.2388 -23.9460 -23.9460 -21.9280 -21.9280 -21.8892 -21.8892 -18.9441 -18.9441 -7.6065 -7.6065 -7.4571 -7.4571 -7.4026 -7.4025 -2.8859 -2.8859 -2.6556 -2.6556 -2.6179 -2.6179 3.4633 3.4633 3.4681 3.4725 4.1000 4.1000 4.5999 4.5999 4.6019 4.6050 4.6820 4.6820 8.1270 8.1270 8.1406 8.1421 8.2267 8.2267 13.3318 13.3318 13.6123 13.6234 13.7000 13.7000 17.2292 17.2292 k = 0.4118 0.4105 0.4092 ( 2437 PWs) bands (ev): -46.2391 -46.2391 -23.9450 -23.9450 -21.9265 -21.9265 -21.8877 -21.8877 -18.9446 -18.9446 -7.6226 -7.6226 -7.4725 -7.4725 -7.4154 -7.4152 -2.8791 -2.8791 -2.6502 -2.6502 -2.6069 -2.6069 3.4938 3.4938 3.4997 3.5046 4.1215 4.1215 4.6160 4.6160 4.6178 4.6212 4.6896 4.6896 8.1031 8.1031 8.1169 8.1184 8.2136 8.2136 13.3019 13.3019 13.5779 13.5900 13.6656 13.6656 17.2586 17.2586 k = 0.4044 0.4032 0.4019 ( 2437 PWs) bands (ev): -46.2392 -46.2392 -23.9439 -23.9439 -21.9248 -21.9248 -21.8861 -21.8861 -18.9451 -18.9451 -7.6400 -7.6400 -7.4887 -7.4887 -7.4290 -7.4288 -2.8719 -2.8719 -2.6445 -2.6444 -2.5952 -2.5952 3.5267 3.5267 3.5339 3.5392 4.1438 4.1438 4.6335 4.6335 4.6351 4.6388 4.6993 4.6993 8.0777 8.0777 8.0917 8.0934 8.1995 8.1995 13.2700 13.2700 13.5409 13.5540 13.6287 13.6287 17.2881 17.2881 k = 0.3971 0.3958 0.3946 ( 2437 PWs) bands (ev): -46.2393 -46.2393 -23.9427 -23.9427 -21.9230 -21.9230 -21.8843 -21.8843 -18.9457 -18.9457 -7.6587 -7.6587 -7.5056 -7.5056 -7.4435 -7.4433 -2.8645 -2.8645 -2.6384 -2.6383 -2.5830 -2.5830 3.5619 3.5619 3.5705 3.5762 4.1667 4.1667 4.6525 4.6525 4.6540 4.6580 4.7116 4.7116 8.0509 8.0509 8.0652 8.0670 8.1845 8.1845 13.2361 13.2361 13.5015 13.5155 13.5893 13.5893 17.3169 17.3169 k = 0.3897 0.3885 0.3873 ( 2443 PWs) bands (ev): -46.2395 -46.2395 -23.9414 -23.9414 -21.9211 -21.9211 -21.8825 -21.8825 -18.9463 -18.9463 -7.6789 -7.6789 -7.5232 -7.5232 -7.4589 -7.4587 -2.8568 -2.8568 -2.6321 -2.6320 -2.5703 -2.5703 3.5995 3.5995 3.6096 3.6157 4.1901 4.1901 4.6729 4.6729 4.6744 4.6787 4.7267 4.7267 8.0229 8.0229 8.0374 8.0393 8.1686 8.1686 13.2001 13.2001 13.4597 13.4747 13.5475 13.5475 17.3443 17.3443 k = 0.3824 0.3812 0.3800 ( 2437 PWs) bands (ev): -46.2395 -46.2395 -23.9401 -23.9401 -21.9191 -21.9191 -21.8806 -21.8806 -18.9469 -18.9469 -7.7003 -7.7003 -7.5412 -7.5412 -7.4750 -7.4748 -2.8490 -2.8490 -2.6254 -2.6254 -2.5573 -2.5573 3.6393 3.6393 3.6509 3.6575 4.2136 4.2136 4.6949 4.6949 4.6963 4.7009 4.7448 4.7448 7.9938 7.9938 8.0086 8.0107 8.1519 8.1519 13.1623 13.1623 13.4157 13.4316 13.5034 13.5034 17.3692 17.3692 k = 0.3750 0.3738 0.3727 ( 2437 PWs) bands (ev): -46.2396 -46.2396 -23.9387 -23.9387 -21.9170 -21.9170 -21.8785 -21.8785 -18.9475 -18.9475 -7.7229 -7.7229 -7.5596 -7.5596 -7.4919 -7.4916 -2.8411 -2.8411 -2.6187 -2.6186 -2.5440 -2.5440 3.6812 3.6812 3.6945 3.7015 4.2373 4.2373 4.7184 4.7184 4.7198 4.7247 4.7663 4.7663 7.9638 7.9638 7.9789 7.9810 8.1344 8.1344 13.1227 13.1227 13.3694 13.3863 13.4572 13.4572 17.3908 17.3908 k = 0.3676 0.3665 0.3654 ( 2431 PWs) bands (ev): -46.2396 -46.2396 -23.9372 -23.9372 -21.9148 -21.9148 -21.8764 -21.8764 -18.9482 -18.9482 -7.7467 -7.7467 -7.5785 -7.5785 -7.5094 -7.5092 -2.8330 -2.8330 -2.6117 -2.6116 -2.5306 -2.5306 3.7253 3.7253 3.7403 3.7478 4.2608 4.2608 4.7435 4.7435 4.7449 4.7501 4.7911 4.7911 7.9329 7.9329 7.9484 7.9506 8.1162 8.1162 13.0814 13.0814 13.3211 13.3390 13.4089 13.4089 17.4080 17.4080 k = 0.3603 0.3592 0.3581 ( 2425 PWs) bands (ev): -46.2396 -46.2396 -23.9356 -23.9356 -21.9125 -21.9125 -21.8741 -21.8741 -18.9489 -18.9489 -7.7716 -7.7716 -7.5976 -7.5976 -7.5276 -7.5273 -2.8250 -2.8250 -2.6046 -2.6045 -2.5171 -2.5171 3.7713 3.7713 3.7882 3.7961 4.2844 4.2844 4.7703 4.7703 4.7716 4.7771 4.8194 4.8194 7.9014 7.9014 7.9172 7.9196 8.0972 8.0972 13.0384 13.0384 13.2708 13.2896 13.3587 13.3587 17.4198 17.4198 k = 0.3529 0.3519 0.3508 ( 2425 PWs) bands (ev): -46.2398 -46.2398 -23.9340 -23.9340 -21.9101 -21.9101 -21.8718 -21.8718 -18.9496 -18.9496 -7.7974 -7.7974 -7.6171 -7.6171 -7.5463 -7.5461 -2.8169 -2.8169 -2.5974 -2.5973 -2.5036 -2.5036 3.8193 3.8193 3.8381 3.8464 4.3080 4.3080 4.7989 4.7989 4.8000 4.8057 4.8512 4.8512 7.8694 7.8694 7.8855 7.8879 8.0776 8.0776 12.9938 12.9938 13.2187 13.2384 13.3066 13.3066 17.4249 17.4249 k = 0.3456 0.3445 0.3435 ( 2431 PWs) bands (ev): -46.2400 -46.2400 -23.9323 -23.9323 -21.9076 -21.9076 -21.8694 -21.8694 -18.9503 -18.9503 -7.8242 -7.8242 -7.6367 -7.6367 -7.5656 -7.5654 -2.8089 -2.8089 -2.5901 -2.5900 -2.4904 -2.4904 3.8691 3.8691 3.8899 3.8986 4.3317 4.3317 4.8291 4.8291 4.8300 4.8360 4.8864 4.8864 7.8369 7.8369 7.8534 7.8559 8.0574 8.0574 12.9476 12.9476 13.1647 13.1853 13.2527 13.2527 17.4224 17.4224 k = 0.3382 0.3372 0.3362 ( 2437 PWs) bands (ev): -46.2402 -46.2402 -23.9306 -23.9306 -21.9050 -21.9050 -21.8669 -21.8669 -18.9511 -18.9511 -7.8517 -7.8517 -7.6566 -7.6566 -7.5854 -7.5851 -2.8010 -2.8010 -2.5828 -2.5827 -2.4774 -2.4774 3.9206 3.9206 3.9436 3.9527 4.3557 4.3557 4.8611 4.8611 4.8617 4.8679 4.9248 4.9248 7.8042 7.8042 7.8211 7.8237 8.0366 8.0366 12.9000 12.9000 13.1091 13.1306 13.1972 13.1972 17.4116 17.4116 k = 0.3309 0.3299 0.3289 ( 2437 PWs) bands (ev): -46.2403 -46.2403 -23.9288 -23.9288 -21.9024 -21.9024 -21.8643 -21.8643 -18.9519 -18.9519 -7.8799 -7.8799 -7.6766 -7.6766 -7.6056 -7.6053 -2.7931 -2.7931 -2.5755 -2.5754 -2.4647 -2.4647 3.9738 3.9738 3.9989 4.0085 4.3803 4.3803 4.8947 4.8947 4.8950 4.9015 4.9663 4.9663 7.7713 7.7713 7.7885 7.7912 8.0154 8.0154 12.8510 12.8510 13.0520 13.0743 13.1401 13.1401 17.3920 17.3921 k = 0.3235 0.3225 0.3216 ( 2455 PWs) bands (ev): -46.2407 -46.2407 -23.9270 -23.9270 -21.8997 -21.8996 -21.8617 -21.8617 -18.9528 -18.9528 -7.9087 -7.9087 -7.6968 -7.6968 -7.6262 -7.6259 -2.7855 -2.7855 -2.5682 -2.5682 -2.4526 -2.4526 4.0285 4.0285 4.0559 4.0658 4.4057 4.4057 4.9301 4.9301 4.9301 4.9369 5.0107 5.0107 7.7384 7.7384 7.7560 7.7588 7.9936 7.9936 12.8006 12.8006 12.9933 13.0165 13.0816 13.0816 17.3633 17.3633 k = 0.3162 0.3152 0.3142 ( 2452 PWs) bands (ev): -46.2408 -46.2408 -23.9252 -23.9252 -21.8969 -21.8968 -21.8590 -21.8590 -18.9536 -18.9536 -7.9379 -7.9379 -7.7171 -7.7171 -7.6471 -7.6468 -2.7779 -2.7779 -2.5610 -2.5609 -2.4409 -2.4409 4.0847 4.0847 4.1144 4.1247 4.4321 4.4321 4.9669 4.9671 4.9671 4.9739 5.0578 5.0578 7.7056 7.7056 7.7235 7.7264 7.9715 7.9715 12.7491 12.7491 12.9334 12.9574 13.0218 13.0218 17.3257 17.3257 k = 0.3088 0.3079 0.3069 ( 2449 PWs) bands (ev): -46.2409 -46.2409 -23.9233 -23.9233 -21.8940 -21.8940 -21.8562 -21.8562 -18.9545 -18.9545 -7.9675 -7.9675 -7.7374 -7.7374 -7.6682 -7.6679 -2.7706 -2.7706 -2.5539 -2.5538 -2.4299 -2.4299 4.1422 4.1422 4.1744 4.1851 4.4598 4.4598 5.0055 5.0058 5.0058 5.0126 5.1072 5.1072 7.6730 7.6730 7.6913 7.6942 7.9490 7.9490 12.6964 12.6964 12.8722 12.8970 12.9608 12.9608 17.2796 17.2796 k = 0.3015 0.3005 0.2996 ( 2449 PWs) bands (ev): -46.2411 -46.2411 -23.9213 -23.9213 -21.8911 -21.8911 -21.8534 -21.8534 -18.9553 -18.9553 -7.9974 -7.9974 -7.7578 -7.7578 -7.6896 -7.6893 -2.7634 -2.7634 -2.5469 -2.5468 -2.4195 -2.4195 4.2008 4.2008 4.2357 4.2467 4.4890 4.4890 5.0458 5.0461 5.0461 5.0531 5.1589 5.1589 7.6407 7.6407 7.6594 7.6624 7.9263 7.9263 12.6426 12.6426 12.8098 12.8354 12.8987 12.8987 17.2256 17.2257 k = 0.2941 0.2932 0.2923 ( 2455 PWs) bands (ev): -46.2413 -46.2413 -23.9193 -23.9193 -21.8881 -21.8881 -21.8505 -21.8505 -18.9563 -18.9563 -8.0274 -8.0274 -7.7781 -7.7781 -7.7111 -7.7109 -2.7566 -2.7566 -2.5400 -2.5399 -2.4098 -2.4098 4.2606 4.2606 4.2981 4.3094 4.5199 4.5199 5.0878 5.0881 5.0881 5.0952 5.2124 5.2124 7.6089 7.6089 7.6279 7.6310 7.9033 7.9033 12.5878 12.5878 12.7464 12.7728 12.8355 12.8355 17.1644 17.1645 k = 0.2868 0.2859 0.2850 ( 2455 PWs) bands (ev): -46.2415 -46.2415 -23.9173 -23.9173 -21.8851 -21.8851 -21.8476 -21.8476 -18.9572 -18.9572 -8.0575 -8.0575 -7.7985 -7.7985 -7.7328 -7.7325 -2.7500 -2.7500 -2.5333 -2.5332 -2.4010 -2.4010 4.3212 4.3212 4.3617 4.3732 4.5526 4.5526 5.1315 5.1318 5.1318 5.1390 5.2677 5.2677 7.5777 7.5777 7.5969 7.6001 7.8801 7.8801 12.5321 12.5321 12.6821 12.7091 12.7715 12.7715 17.0969 17.0969 k = 0.2794 0.2786 0.2777 ( 2449 PWs) bands (ev): -46.2415 -46.2415 -23.9153 -23.9153 -21.8821 -21.8821 -21.8446 -21.8446 -18.9581 -18.9581 -8.0876 -8.0876 -7.8188 -7.8188 -7.7545 -7.7542 -2.7436 -2.7436 -2.5268 -2.5267 -2.3930 -2.3930 4.3826 4.3826 4.4262 4.4380 4.5874 4.5874 5.1770 5.1770 5.1770 5.1845 5.3244 5.3244 7.5470 7.5470 7.5666 7.5698 7.8568 7.8568 12.4757 12.4757 12.6169 12.6447 12.7066 12.7066 17.0237 17.0238 k = 0.2721 0.2712 0.2704 ( 2449 PWs) bands (ev): -46.2417 -46.2417 -23.9132 -23.9132 -21.8790 -21.8790 -21.8416 -21.8416 -18.9591 -18.9591 -8.1177 -8.1177 -7.8391 -7.8391 -7.7763 -7.7760 -2.7376 -2.7376 -2.5205 -2.5204 -2.3858 -2.3858 4.4446 4.4446 4.4916 4.5036 4.6245 4.6245 5.2238 5.2238 5.2241 5.2316 5.3824 5.3824 7.5172 7.5172 7.5370 7.5403 7.8334 7.8334 12.4185 12.4185 12.5510 12.5795 12.6411 12.6411 16.9456 16.9457 k = 0.2647 0.2639 0.2631 ( 2455 PWs) bands (ev): -46.2420 -46.2420 -23.9112 -23.9112 -21.8760 -21.8760 -21.8386 -21.8386 -18.9601 -18.9601 -8.1475 -8.1475 -7.8592 -7.8592 -7.7980 -7.7977 -2.7319 -2.7319 -2.5144 -2.5143 -2.3796 -2.3796 4.5070 4.5070 4.5578 4.5699 4.6638 4.6638 5.2721 5.2721 5.2728 5.2802 5.4414 5.4414 7.4882 7.4882 7.5082 7.5115 7.8099 7.8099 12.3608 12.3608 12.4844 12.5136 12.5750 12.5750 16.8633 16.8634 k = 0.2574 0.2566 0.2558 ( 2455 PWs) bands (ev): -46.2421 -46.2421 -23.9091 -23.9091 -21.8729 -21.8728 -21.8355 -21.8355 -18.9611 -18.9611 -8.1771 -8.1771 -7.8792 -7.8792 -7.8197 -7.8194 -2.7265 -2.7265 -2.5086 -2.5085 -2.3742 -2.3742 4.5695 4.5695 4.6246 4.6367 4.7057 4.7057 5.3220 5.3220 5.3232 5.3304 5.5014 5.5014 7.4601 7.4601 7.4804 7.4837 7.7865 7.7865 12.3025 12.3025 12.4173 12.4471 12.5084 12.5084 16.7774 16.7774 k = 0.2500 0.2492 0.2485 ( 2455 PWs) bands (ev): -46.2423 -46.2423 -23.9070 -23.9070 -21.8697 -21.8697 -21.8324 -21.8324 -18.9621 -18.9621 -8.2064 -8.2064 -7.8990 -7.8989 -7.8412 -7.8409 -2.7215 -2.7215 -2.5030 -2.5029 -2.3698 -2.3698 4.6318 4.6318 4.6919 4.7041 4.7503 4.7503 5.3732 5.3732 5.3750 5.3820 5.5620 5.5620 7.4330 7.4330 7.4535 7.4569 7.7632 7.7632 12.2439 12.2439 12.3497 12.3802 12.4415 12.4415 16.6884 16.6885 k = 0.2426 0.2419 0.2412 ( 2455 PWs) bands (ev): -46.2424 -46.2424 -23.9049 -23.9049 -21.8666 -21.8666 -21.8294 -21.8294 -18.9632 -18.9632 -8.2353 -8.2353 -7.9185 -7.9185 -7.8626 -7.8623 -2.7169 -2.7169 -2.4977 -2.4976 -2.3663 -2.3663 4.6935 4.6935 4.7597 4.7717 4.7978 4.7978 5.4257 5.4257 5.4283 5.4350 5.6231 5.6231 7.4071 7.4071 7.4278 7.4312 7.7399 7.7399 12.1850 12.1850 12.2818 12.3129 12.3743 12.3743 16.5969 16.5970 k = 0.2353 0.2346 0.2339 ( 2461 PWs) bands (ev): -46.2427 -46.2427 -23.9028 -23.9028 -21.8635 -21.8635 -21.8263 -21.8263 -18.9642 -18.9642 -8.2638 -8.2638 -7.9379 -7.9379 -7.8838 -7.8835 -2.7126 -2.7126 -2.4927 -2.4926 -2.3636 -2.3636 4.7544 4.7544 4.8277 4.8396 4.8484 4.8484 5.4794 5.4794 5.4829 5.4892 5.6846 5.6846 7.3824 7.3824 7.4032 7.4067 7.7169 7.7169 12.1260 12.1260 12.2137 12.2453 12.3070 12.3070 16.5031 16.5031 k = 0.2279 0.2272 0.2265 ( 2455 PWs) bands (ev): -46.2428 -46.2428 -23.9007 -23.9007 -21.8604 -21.8604 -21.8232 -21.8232 -18.9653 -18.9653 -8.2918 -8.2918 -7.9570 -7.9570 -7.9047 -7.9044 -2.7087 -2.7087 -2.4880 -2.4879 -2.3618 -2.3618 4.8141 4.8141 4.8960 4.9020 4.9020 4.9077 5.5343 5.5343 5.5387 5.5445 5.7462 5.7462 7.3591 7.3591 7.3799 7.3834 7.6940 7.6940 12.0670 12.0670 12.1454 12.1776 12.2397 12.2397 16.4077 16.4078 k = 0.2206 0.2199 0.2192 ( 2455 PWs) bands (ev): -46.2429 -46.2429 -23.8986 -23.8986 -21.8573 -21.8573 -21.8201 -21.8201 -18.9664 -18.9664 -8.3192 -8.3192 -7.9757 -7.9757 -7.9253 -7.9251 -2.7051 -2.7051 -2.4836 -2.4835 -2.3608 -2.3608 4.8726 4.8726 4.9586 4.9586 4.9644 4.9757 5.5901 5.5901 5.5956 5.6007 5.8080 5.8080 7.3371 7.3371 7.3580 7.3615 7.6714 7.6714 12.0081 12.0081 12.0771 12.1098 12.1726 12.1726 16.3109 16.3109 k = 0.2132 0.2126 0.2119 ( 2455 PWs) bands (ev): -46.2431 -46.2431 -23.8966 -23.8966 -21.8542 -21.8542 -21.8170 -21.8170 -18.9675 -18.9675 -8.3460 -8.3460 -7.9942 -7.9942 -7.9457 -7.9454 -2.7020 -2.7020 -2.4794 -2.4793 -2.3606 -2.3606 4.9301 4.9301 5.0177 5.0177 5.0327 5.0436 5.6468 5.6468 5.6533 5.6578 5.8696 5.8696 7.3166 7.3166 7.3375 7.3410 7.6491 7.6491 11.9493 11.9493 12.0088 12.0420 12.1057 12.1057 16.2130 16.2138 k = 0.2059 0.2053 0.2046 ( 2446 PWs) bands (ev): -46.2431 -46.2431 -23.8945 -23.8945 -21.8512 -21.8512 -21.8139 -21.8139 -18.9687 -18.9687 -8.3722 -8.3722 -8.0122 -8.0122 -7.9656 -7.9654 -2.6992 -2.6992 -2.4756 -2.4755 -2.3611 -2.3611 4.9869 4.9869 5.0786 5.0786 5.1009 5.1113 5.7041 5.7041 5.7118 5.7155 5.9310 5.9310 7.2976 7.2976 7.3186 7.3221 7.6271 7.6271 11.8909 11.8909 11.9407 11.9744 12.0392 12.0392 16.1145 16.1145 k = 0.1985 0.1979 0.1973 ( 2458 PWs) bands (ev): -46.2434 -46.2434 -23.8925 -23.8925 -21.8482 -21.8482 -21.8109 -21.8109 -18.9698 -18.9698 -8.3977 -8.3977 -8.0299 -8.0299 -7.9852 -7.9849 -2.6968 -2.6968 -2.4720 -2.4719 -2.3624 -2.3624 5.0433 5.0433 5.1408 5.1408 5.1689 5.1786 5.7620 5.7620 5.7709 5.7736 5.9920 5.9920 7.2803 7.2803 7.3013 7.3048 7.6056 7.6056 11.8327 11.8327 11.8729 11.9069 11.9734 11.9734 16.0155 16.0156 k = 0.1912 0.1906 0.1900 ( 2467 PWs) bands (ev): -46.2437 -46.2437 -23.8905 -23.8905 -21.8452 -21.8452 -21.8080 -21.8080 -18.9710 -18.9710 -8.4225 -8.4225 -8.0472 -8.0472 -8.0044 -8.0041 -2.6948 -2.6948 -2.4688 -2.4687 -2.3643 -2.3643 5.0996 5.0996 5.2036 5.2036 5.2364 5.2454 5.8202 5.8202 5.8302 5.8319 6.0526 6.0526 7.2648 7.2648 7.2858 7.2892 7.5844 7.5844 11.7750 11.7750 11.8055 11.8398 11.9083 11.9083 15.9164 15.9166 k = 0.1838 0.1833 0.1827 ( 2461 PWs) bands (ev): -46.2438 -46.2438 -23.8886 -23.8886 -21.8423 -21.8423 -21.8050 -21.8050 -18.9721 -18.9721 -8.4464 -8.4464 -8.0641 -8.0641 -8.0231 -8.0228 -2.6931 -2.6931 -2.4658 -2.4657 -2.3667 -2.3667 5.1558 5.1558 5.2667 5.2667 5.3035 5.3117 5.8786 5.8786 5.8896 5.8902 6.1125 6.1125 7.2511 7.2511 7.2720 7.2754 7.5637 7.5637 11.7178 11.7178 11.7385 11.7732 11.8444 11.8444 15.8175 15.8175 k = 0.1765 0.1759 0.1754 ( 2461 PWs) bands (ev): -46.2439 -46.2439 -23.8866 -23.8866 -21.8394 -21.8394 -21.8021 -21.8021 -18.9733 -18.9733 -8.4696 -8.4696 -8.0804 -8.0804 -8.0412 -8.0410 -2.6918 -2.6918 -2.4631 -2.4630 -2.3696 -2.3696 5.2119 5.2119 5.3296 5.3296 5.3699 5.3772 5.9369 5.9369 5.9483 5.9489 6.1717 6.1717 7.2393 7.2393 7.2602 7.2634 7.5436 7.5436 11.6610 11.6610 11.6722 11.7071 11.7817 11.7817 15.7190 15.7190 k = 0.1691 0.1686 0.1681 ( 2467 PWs) bands (ev): -46.2441 -46.2441 -23.8848 -23.8848 -21.8366 -21.8366 -21.7993 -21.7993 -18.9745 -18.9745 -8.4920 -8.4920 -8.0963 -8.0963 -8.0589 -8.0587 -2.6909 -2.6909 -2.4606 -2.4606 -2.3730 -2.3730 5.2677 5.2677 5.3920 5.3920 5.4354 5.4417 5.9950 5.9950 6.0058 6.0078 6.2300 6.2300 7.2295 7.2295 7.2504 7.2535 7.5239 7.5239 11.6046 11.6046 11.6067 11.6417 11.7206 11.7206 15.6213 15.6216 k = 0.1618 0.1613 0.1608 ( 2455 PWs) bands (ev): -46.2441 -46.2441 -23.8829 -23.8829 -21.8339 -21.8339 -21.7964 -21.7964 -18.9756 -18.9756 -8.5135 -8.5135 -8.1117 -8.1117 -8.0761 -8.0758 -2.6902 -2.6902 -2.4584 -2.4584 -2.3767 -2.3767 5.3231 5.3231 5.4538 5.4538 5.4999 5.5052 6.0526 6.0526 6.0627 6.0661 6.2873 6.2873 7.2218 7.2218 7.2426 7.2456 7.5049 7.5049 11.5421 11.5487 11.5487 11.5772 11.6614 11.6614 15.5245 15.5245 k = 0.1544 0.1539 0.1535 ( 2454 PWs) bands (ev): -46.2442 -46.2442 -23.8811 -23.8811 -21.8312 -21.8312 -21.7937 -21.7937 -18.9768 -18.9768 -8.5342 -8.5342 -8.1265 -8.1265 -8.0926 -8.0924 -2.6899 -2.6899 -2.4565 -2.4564 -2.3808 -2.3808 5.3780 5.3780 5.5145 5.5145 5.5632 5.5674 6.1097 6.1097 6.1187 6.1236 6.3436 6.3436 7.2161 7.2161 7.2370 7.2399 7.4864 7.4864 11.4785 11.4931 11.4931 11.5136 11.6045 11.6045 15.4290 15.4300 k = 0.1471 0.1466 0.1462 ( 2469 PWs) bands (ev): -46.2445 -46.2445 -23.8794 -23.8794 -21.8287 -21.8287 -21.7911 -21.7911 -18.9779 -18.9779 -8.5539 -8.5539 -8.1408 -8.1408 -8.1086 -8.1084 -2.6899 -2.6899 -2.4548 -2.4548 -2.3851 -2.3851 5.4319 5.4319 5.5740 5.5740 5.6250 5.6281 6.1659 6.1659 6.1736 6.1799 6.3986 6.3986 7.2126 7.2126 7.2335 7.2363 7.4686 7.4686 11.4160 11.4377 11.4377 11.4510 11.5500 11.5500 15.3349 15.3360 k = 0.1397 0.1393 0.1389 ( 2469 PWs) bands (ev): -46.2447 -46.2447 -23.8777 -23.8777 -21.8262 -21.8262 -21.7885 -21.7885 -18.9791 -18.9791 -8.5728 -8.5728 -8.1545 -8.1545 -8.1239 -8.1237 -2.6901 -2.6901 -2.4533 -2.4533 -2.3896 -2.3896 5.4848 5.4848 5.6320 5.6320 5.6851 5.6870 6.2211 6.2211 6.2272 6.2350 6.4523 6.4523 7.2111 7.2111 7.2323 7.2348 7.4515 7.4515 11.3550 11.3828 11.3828 11.3898 11.4983 11.4983 15.2428 15.2431 k = 0.1324 0.1319 0.1315 ( 2448 PWs) bands (ev): -46.2445 -46.2445 -23.8760 -23.8760 -21.8237 -21.8237 -21.7860 -21.7860 -18.9802 -18.9802 -8.5907 -8.5907 -8.1676 -8.1676 -8.1386 -8.1384 -2.6906 -2.6906 -2.4520 -2.4520 -2.3941 -2.3941 5.5362 5.5362 5.6881 5.6882 5.7432 5.7439 6.2753 6.2753 6.2793 6.2886 6.5045 6.5045 7.2118 7.2118 7.2332 7.2356 7.4351 7.4351 11.2954 11.3285 11.3285 11.3300 11.4494 11.4494 15.1529 15.1529 k = 0.1250 0.1246 0.1242 ( 2448 PWs) bands (ev): -46.2446 -46.2446 -23.8745 -23.8745 -21.8214 -21.8214 -21.7836 -21.7836 -18.9813 -18.9813 -8.6077 -8.6077 -8.1801 -8.1801 -8.1526 -8.1524 -2.6913 -2.6913 -2.4509 -2.4509 -2.3988 -2.3988 5.5861 5.5861 5.7423 5.7423 5.7985 5.7990 6.3282 6.3282 6.3300 6.3407 6.5552 6.5553 7.2145 7.2145 7.2363 7.2384 7.4194 7.4194 11.2376 11.2717 11.2748 11.2748 11.4034 11.4034 15.0652 15.0653 k = 0.1176 0.1173 0.1169 ( 2451 PWs) bands (ev): -46.2447 -46.2447 -23.8730 -23.8730 -21.8192 -21.8192 -21.7813 -21.7813 -18.9823 -18.9823 -8.6237 -8.6237 -8.1920 -8.1920 -8.1659 -8.1657 -2.6922 -2.6922 -2.4500 -2.4499 -2.4035 -2.4035 5.6340 5.6340 5.7942 5.7942 5.8506 5.8522 6.3791 6.3797 6.3797 6.3912 6.6043 6.6043 7.2190 7.2190 7.2413 7.2432 7.4044 7.4044 11.1816 11.2152 11.2221 11.2221 11.3603 11.3603 14.9803 14.9803 k = 0.1103 0.1100 0.1096 ( 2451 PWs) bands (ev): -46.2448 -46.2448 -23.8716 -23.8716 -21.8171 -21.8171 -21.7791 -21.7791 -18.9834 -18.9834 -8.6388 -8.6388 -8.2032 -8.2032 -8.1785 -8.1783 -2.6932 -2.6932 -2.4492 -2.4492 -2.4081 -2.4081 5.6797 5.6797 5.8435 5.8435 5.8998 5.9024 6.4268 6.4299 6.4299 6.4399 6.6515 6.6515 7.2252 7.2252 7.2481 7.2498 7.3903 7.3903 11.1278 11.1606 11.1708 11.1708 11.3201 11.3201 14.8983 14.8983 k = 0.1029 0.1026 0.1023 ( 2448 PWs) bands (ev): -46.2449 -46.2449 -23.8702 -23.8702 -21.8152 -21.8151 -21.7770 -21.7770 -18.9844 -18.9844 -8.6529 -8.6529 -8.2138 -8.2138 -8.1903 -8.1902 -2.6944 -2.6944 -2.4486 -2.4486 -2.4126 -2.4126 5.7230 5.7230 5.8901 5.8901 5.9459 5.9494 6.4729 6.4785 6.4785 6.4870 6.6969 6.6969 7.2329 7.2329 7.2564 7.2579 7.3769 7.3769 11.0762 11.1082 11.1211 11.1211 11.2826 11.2826 14.8197 14.8197 k = 0.0956 0.0953 0.0950 ( 2454 PWs) bands (ev): -46.2451 -46.2451 -23.8690 -23.8690 -21.8133 -21.8133 -21.7750 -21.7750 -18.9853 -18.9853 -8.6661 -8.6661 -8.2237 -8.2237 -8.2014 -8.2013 -2.6958 -2.6958 -2.4481 -2.4481 -2.4170 -2.4170 5.7637 5.7637 5.9338 5.9338 5.9886 5.9929 6.5175 6.5256 6.5256 6.5324 6.7402 6.7402 7.2416 7.2416 7.2659 7.2673 7.3644 7.3644 11.0271 11.0580 11.0733 11.0733 11.2480 11.2480 14.7446 14.7446 k = 0.0882 0.0880 0.0877 ( 2454 PWs) bands (ev): -46.2452 -46.2452 -23.8678 -23.8678 -21.8115 -21.8115 -21.7731 -21.7731 -18.9862 -18.9862 -8.6783 -8.6783 -8.2329 -8.2329 -8.2118 -8.2117 -2.6972 -2.6972 -2.4477 -2.4477 -2.4213 -2.4213 5.8016 5.8016 5.9744 5.9744 6.0278 6.0326 6.5608 6.5710 6.5710 6.5760 6.7813 6.7813 7.2512 7.2512 7.2763 7.2776 7.3527 7.3527 10.9807 11.0104 11.0278 11.0278 11.2160 11.2160 14.6735 14.6735 k = 0.0809 0.0806 0.0804 ( 2457 PWs) bands (ev): -46.2453 -46.2453 -23.8667 -23.8667 -21.8099 -21.8099 -21.7714 -21.7714 -18.9871 -18.9871 -8.6895 -8.6895 -8.2415 -8.2415 -8.2214 -8.2213 -2.6986 -2.6986 -2.4474 -2.4474 -2.4253 -2.4253 5.8365 5.8365 6.0118 6.0118 6.0634 6.0685 6.6025 6.6146 6.6146 6.6179 6.8200 6.8200 7.2613 7.2613 7.2872 7.2883 7.3419 7.3419 10.9372 10.9655 10.9847 10.9847 11.1867 11.1867 14.6065 14.6066 k = 0.0735 0.0733 0.0731 ( 2463 PWs) bands (ev): -46.2455 -46.2455 -23.8657 -23.8657 -21.8084 -21.8084 -21.7698 -21.7698 -18.9879 -18.9879 -8.6997 -8.6997 -8.2493 -8.2493 -8.2302 -8.2301 -2.7000 -2.7000 -2.4473 -2.4472 -2.4290 -2.4290 5.8683 5.8683 6.0460 6.0460 6.0952 6.1006 6.6428 6.6563 6.6563 6.6579 6.8563 6.8563 7.2713 7.2713 7.2982 7.2992 7.3320 7.3320 10.8969 10.9235 10.9444 10.9444 11.1601 11.1601 14.5441 14.5468 k = 0.0662 0.0660 0.0658 ( 2457 PWs) bands (ev): -46.2455 -46.2455 -23.8647 -23.8647 -21.8071 -21.8071 -21.7684 -21.7684 -18.9887 -18.9887 -8.7090 -8.7090 -8.2564 -8.2564 -8.2382 -8.2381 -2.7014 -2.7014 -2.4471 -2.4470 -2.4324 -2.4324 5.8970 5.8970 6.0768 6.0768 6.1234 6.1287 6.6813 6.6958 6.6958 6.6959 6.8898 6.8898 7.2811 7.2811 7.3089 7.3098 7.3230 7.3230 10.8599 10.8847 10.9072 10.9072 11.1361 11.1361 14.4866 14.4866 k = 0.0588 0.0586 0.0585 ( 2463 PWs) bands (ev): -46.2456 -46.2456 -23.8639 -23.8639 -21.8058 -21.8058 -21.7671 -21.7671 -18.9893 -18.9893 -8.7172 -8.7172 -8.2628 -8.2628 -8.2454 -8.2453 -2.7028 -2.7028 -2.4470 -2.4470 -2.4356 -2.4356 5.9224 5.9224 6.1044 6.1044 6.1480 6.1531 6.7177 6.7315 6.7329 6.7329 6.9205 6.9205 7.2903 7.2903 7.3150 7.3150 7.3189 7.3197 10.8264 10.8492 10.8731 10.8731 11.1146 11.1146 14.4342 14.4342 k = 0.0515 0.0513 0.0512 ( 2475 PWs) bands (ev): -46.2458 -46.2458 -23.8632 -23.8632 -21.8048 -21.8048 -21.7659 -21.7659 -18.9900 -18.9900 -8.7246 -8.7246 -8.2684 -8.2684 -8.2517 -8.2516 -2.7041 -2.7041 -2.4470 -2.4469 -2.4384 -2.4384 5.9447 5.9447 6.1286 6.1286 6.1692 6.1739 6.7518 6.7645 6.7672 6.7672 6.9481 6.9481 7.2983 7.2983 7.3081 7.3081 7.3281 7.3287 10.7966 10.8171 10.8426 10.8426 11.0958 11.0958 14.3871 14.3871 k = 0.0441 0.0440 0.0438 ( 2487 PWs) bands (ev): -46.2461 -46.2461 -23.8626 -23.8626 -21.8038 -21.8038 -21.7649 -21.7649 -18.9905 -18.9905 -8.7309 -8.7309 -8.2733 -8.2733 -8.2572 -8.2572 -2.7053 -2.7053 -2.4470 -2.4469 -2.4410 -2.4410 5.9638 5.9638 6.1496 6.1496 6.1870 6.1913 6.7830 6.7943 6.7983 6.7983 6.9725 6.9725 7.3005 7.3005 7.3069 7.3069 7.3360 7.3366 10.7707 10.7887 10.8156 10.8156 11.0795 11.0795 14.3457 14.3478 k = 0.0368 0.0367 0.0365 ( 2487 PWs) bands (ev): -46.2461 -46.2461 -23.8620 -23.8620 -21.8030 -21.8030 -21.7640 -21.7640 -18.9910 -18.9910 -8.7362 -8.7362 -8.2775 -8.2775 -8.2619 -8.2619 -2.7063 -2.7063 -2.4470 -2.4469 -2.4431 -2.4431 5.9797 5.9797 6.1673 6.1673 6.2018 6.2055 6.8109 6.8207 6.8257 6.8257 6.9935 6.9935 7.2958 7.2958 7.3124 7.3124 7.3427 7.3432 10.7488 10.7641 10.7926 10.7926 11.0658 11.0658 14.3103 14.3103 k = 0.0294 0.0293 0.0292 ( 2487 PWs) bands (ev): -46.2461 -46.2461 -23.8616 -23.8616 -21.8024 -21.8024 -21.7633 -21.7633 -18.9913 -18.9913 -8.7406 -8.7406 -8.2809 -8.2809 -8.2658 -8.2657 -2.7072 -2.7072 -2.4470 -2.4469 -2.4448 -2.4448 5.9926 5.9927 6.1817 6.1817 6.2137 6.2167 6.8349 6.8429 6.8491 6.8491 7.0109 7.0109 7.2915 7.2915 7.3171 7.3171 7.3481 7.3485 10.7310 10.7435 10.7735 10.7735 11.0546 11.0546 14.2810 14.2810 k = 0.0221 0.0220 0.0219 ( 2481 PWs) bands (ev): -46.2461 -46.2461 -23.8612 -23.8612 -21.8018 -21.8018 -21.7628 -21.7628 -18.9916 -18.9916 -8.7440 -8.7440 -8.2836 -8.2836 -8.2688 -8.2687 -2.7079 -2.7079 -2.4469 -2.4469 -2.4462 -2.4462 6.0026 6.0026 6.1929 6.1929 6.2228 6.2251 6.8545 6.8606 6.8679 6.8679 7.0246 7.0246 7.2882 7.2882 7.3207 7.3207 7.3522 7.3525 10.7175 10.7270 10.7585 10.7585 11.0459 11.0459 14.2581 14.2601 k = 0.0147 0.0147 0.0146 ( 2481 PWs) bands (ev): -46.2461 -46.2461 -23.8610 -23.8610 -21.8015 -21.8015 -21.7624 -21.7624 -18.9918 -18.9918 -8.7464 -8.7464 -8.2855 -8.2855 -8.2709 -8.2709 -2.7084 -2.7084 -2.4472 -2.4472 -2.4470 -2.4470 6.0097 6.0097 6.2009 6.2009 6.2294 6.2309 6.8692 6.8734 6.8817 6.8817 7.0345 7.0345 7.2858 7.2858 7.3232 7.3232 7.3550 7.3552 10.7082 10.7146 10.7478 10.7478 11.0397 11.0397 14.2415 14.2415 k = 0.0074 0.0073 0.0073 ( 2487 PWs) bands (ev): -46.2462 -46.2462 -23.8608 -23.8608 -21.8012 -21.8012 -21.7621 -21.7621 -18.9920 -18.9920 -8.7479 -8.7479 -8.2866 -8.2866 -8.2722 -8.2722 -2.7087 -2.7087 -2.4478 -2.4478 -2.4470 -2.4470 6.0139 6.0139 6.2057 6.2057 6.2334 6.2342 6.8786 6.8807 6.8901 6.8901 7.0405 7.0405 7.2843 7.2843 7.3246 7.3246 7.3567 7.3568 10.7033 10.7065 10.7413 10.7413 11.0359 11.0359 14.2315 14.2316 k = 0.0000 0.0000 0.0000 ( 2481 PWs) bands (ev): -46.2461 -46.2461 -23.8608 -23.8608 -21.8012 -21.8012 -21.7621 -21.7621 -18.9920 -18.9920 -8.7484 -8.7484 -8.2870 -8.2870 -8.2726 -8.2726 -2.7088 -2.7088 -2.4480 -2.4480 -2.4470 -2.4470 6.0153 6.0153 6.2073 6.2073 6.2350 6.2350 6.8825 6.8825 6.8929 6.8929 7.0425 7.0425 7.2838 7.2838 7.3251 7.3251 7.3573 7.3573 10.7028 10.7028 10.7391 10.7391 11.0346 11.0346 14.2282 14.2282 k = 0.0000 0.0000 0.0000 ( 2481 PWs) bands (ev): -46.2461 -46.2461 -23.8608 -23.8608 -21.8012 -21.8012 -21.7621 -21.7621 -18.9920 -18.9920 -8.7484 -8.7484 -8.2870 -8.2870 -8.2726 -8.2726 -2.7088 -2.7088 -2.4480 -2.4480 -2.4470 -2.4470 6.0153 6.0153 6.2073 6.2073 6.2350 6.2350 6.8825 6.8825 6.8929 6.8929 7.0425 7.0425 7.2838 7.2838 7.3251 7.3251 7.3573 7.3573 10.7028 10.7028 10.7391 10.7391 11.0346 11.0346 14.2282 14.2283 k = 0.0089-0.0000-0.0089 ( 2485 PWs) bands (ev): -46.2461 -46.2461 -23.8609 -23.8607 -21.8012 -21.8012 -21.7623 -21.7619 -18.9920 -18.9920 -8.7483 -8.7475 -8.2875 -8.2858 -8.2722 -8.2722 -2.7090 -2.7084 -2.4484 -2.4477 -2.4468 -2.4466 6.0102 6.0160 6.1992 6.2095 6.2333 6.2336 6.8807 6.8808 6.8885 6.8942 7.0343 7.0441 7.2790 7.2805 7.3234 7.3333 7.3604 7.3606 10.7040 10.7044 10.7379 10.7440 11.0336 11.0362 14.2310 14.2316 k = 0.0178-0.0001-0.0179 ( 2493 PWs) bands (ev): -46.2462 -46.2462 -23.8612 -23.8607 -21.8015 -21.8015 -21.7628 -21.7619 -18.9919 -18.9918 -8.7473 -8.7456 -8.2872 -8.2839 -8.2711 -8.2708 -2.7091 -2.7077 -2.4486 -2.4477 -2.4463 -2.4457 6.0006 6.0125 6.1846 6.2063 6.2279 6.2298 6.8744 6.8759 6.8819 6.8920 7.0212 7.0390 7.2683 7.2711 7.3278 7.3447 7.3686 7.3702 10.7064 10.7094 10.7417 10.7522 11.0332 11.0383 14.2375 14.2388 k = 0.0267-0.0001-0.0268 ( 2493 PWs) bands (ev): -46.2462 -46.2462 -23.8616 -23.8608 -21.8019 -21.8019 -21.7634 -21.7621 -18.9917 -18.9916 -8.7453 -8.7428 -8.2862 -8.2815 -8.2692 -8.2682 -2.7089 -2.7069 -2.4487 -2.4477 -2.4456 -2.4443 5.9859 6.0049 6.1633 6.1985 6.2184 6.2240 6.8631 6.8678 6.8741 6.8864 7.0052 7.0287 7.2549 7.2590 7.3360 7.3553 7.3793 7.3846 10.7084 10.7178 10.7519 10.7643 11.0335 11.0415 14.2457 14.2489 k = 0.0356-0.0001-0.0357 ( 2491 PWs) bands (ev): -46.2462 -46.2462 -23.8621 -23.8610 -21.8025 -21.8024 -21.7641 -21.7624 -18.9914 -18.9913 -8.7424 -8.7391 -8.2845 -8.2787 -8.2666 -8.2643 -2.7085 -2.7059 -2.4487 -2.4476 -2.4445 -2.4426 5.9657 5.9927 6.1353 6.1868 6.2050 6.2162 6.8478 6.8566 6.8644 6.8775 6.9880 7.0149 7.2405 7.2460 7.3454 7.3637 7.3912 7.4018 10.7101 10.7286 10.7678 10.7815 11.0349 11.0460 14.2568 14.2615 k = 0.0445-0.0001-0.0446 ( 2487 PWs) bands (ev): -46.2461 -46.2461 -23.8627 -23.8613 -21.8032 -21.8031 -21.7649 -21.7628 -18.9911 -18.9908 -8.7385 -8.7344 -8.2822 -8.2754 -8.2633 -8.2590 -2.7079 -2.7046 -2.4487 -2.4475 -2.4431 -2.4404 5.9393 5.9756 6.1010 6.1711 6.1886 6.2063 6.8299 6.8427 6.8523 6.8654 6.9706 6.9993 7.2263 7.2330 7.3540 7.3698 7.4034 7.4192 10.7121 10.7408 10.7887 10.8049 11.0378 11.0522 14.2709 14.2769 k = 0.0534-0.0002-0.0536 ( 2485 PWs) bands (ev): -46.2460 -46.2460 -23.8633 -23.8617 -21.8041 -21.8039 -21.7658 -21.7634 -18.9906 -18.9904 -8.7338 -8.7290 -8.2796 -8.2714 -8.2590 -8.2524 -2.7072 -2.7033 -2.4486 -2.4473 -2.4414 -2.4380 5.9064 5.9528 6.0613 6.1499 6.1715 6.1945 6.8103 6.8265 6.8377 6.8502 6.9535 6.9826 7.2129 7.2206 7.3604 7.3737 7.4151 7.4353 10.7153 10.7538 10.8144 10.8343 11.0427 11.0608 14.2877 14.2949 k = 0.0623-0.0002-0.0625 ( 2479 PWs) bands (ev): -46.2459 -46.2459 -23.8641 -23.8622 -21.8052 -21.8049 -21.7669 -21.7641 -18.9901 -18.9898 -8.7283 -8.7227 -8.2765 -8.2669 -8.2538 -8.2445 -2.7062 -2.7018 -2.4485 -2.4471 -2.4393 -2.4352 5.8667 5.9228 6.0180 6.1226 6.1549 6.1811 6.7897 6.8085 6.8206 6.8320 6.9368 6.9653 7.2009 7.2092 7.3641 7.3752 7.4256 7.4491 10.7200 10.7675 10.8452 10.8692 11.0501 11.0723 14.3070 14.3153 k = 0.0712-0.0002-0.0714 ( 2477 PWs) bands (ev): -46.2458 -46.2458 -23.8649 -23.8628 -21.8064 -21.8060 -21.7680 -21.7649 -18.9895 -18.9892 -8.7220 -8.7157 -8.2730 -8.2616 -8.2474 -8.2356 -2.7052 -2.7001 -2.4484 -2.4469 -2.4370 -2.4321 5.8204 5.8838 5.9734 6.0897 6.1386 6.1662 6.7685 6.7886 6.8013 6.8112 6.9202 6.9477 7.1903 7.1991 7.3651 7.3744 7.4342 7.4600 10.7267 10.7822 10.8806 10.9088 11.0603 11.0871 14.3285 14.3379 k = 0.0801-0.0002-0.0804 ( 2471 PWs) bands (ev): -46.2457 -46.2457 -23.8659 -23.8634 -21.8079 -21.8073 -21.7693 -21.7658 -18.9888 -18.9885 -8.7149 -8.7080 -8.2690 -8.2558 -8.2398 -8.2255 -2.7040 -2.6984 -2.4482 -2.4466 -2.4343 -2.4287 5.7678 5.8344 5.9294 6.0519 6.1223 6.1501 6.7467 6.7663 6.7794 6.7892 6.9036 6.9297 7.1812 7.1902 7.3635 7.3714 7.4403 7.4678 10.7357 10.7982 10.9203 10.9528 11.0740 11.1058 14.3519 14.3623 k = 0.0890-0.0003-0.0893 ( 2465 PWs) bands (ev): -46.2455 -46.2455 -23.8669 -23.8642 -21.8095 -21.8087 -21.7706 -21.7669 -18.9881 -18.9877 -8.7073 -8.6997 -8.2643 -8.2493 -8.2310 -8.2144 -2.7028 -2.6966 -2.4480 -2.4463 -2.4314 -2.4251 5.7094 5.7754 5.8861 6.0098 6.1056 6.1328 6.7234 6.7416 6.7537 6.7682 6.8871 6.9115 7.1734 7.1824 7.3598 7.3666 7.4438 7.4724 10.7475 10.8160 10.9636 11.0006 11.0915 11.1289 14.3771 14.3883 k = 0.0979-0.0003-0.0982 ( 2460 PWs) bands (ev): -46.2454 -46.2454 -23.8680 -23.8651 -21.8114 -21.8103 -21.7719 -21.7680 -18.9873 -18.9869 -8.6991 -8.6908 -8.2590 -8.2421 -8.2210 -8.2023 -2.7014 -2.6947 -2.4478 -2.4459 -2.4282 -2.4213 5.6459 5.7089 5.8421 5.9636 6.0885 6.1146 6.6965 6.7144 6.7261 6.7480 6.8706 6.8931 7.1666 7.1754 7.3545 7.3604 7.4446 7.4739 10.7621 10.8359 11.0098 11.0512 11.1133 11.1572 14.4036 14.4157 k = 0.1068-0.0003-0.1071 ( 2462 PWs) bands (ev): -46.2453 -46.2453 -23.8692 -23.8660 -21.8134 -21.8121 -21.7734 -21.7692 -18.9864 -18.9860 -8.6904 -8.6816 -8.2529 -8.2342 -8.2098 -8.1892 -2.7000 -2.6928 -2.4476 -2.4455 -2.4249 -2.4174 5.5780 5.6369 5.7964 5.9138 6.0707 6.0955 6.6646 6.6825 6.7009 6.7275 6.8542 6.8745 7.1603 7.1687 7.3484 7.3539 7.4428 7.4725 10.7799 10.8580 11.0579 11.1027 11.1409 11.1913 14.4314 14.4443 k = 0.1157-0.0004-0.1161 ( 2460 PWs) bands (ev): -46.2452 -46.2452 -23.8704 -23.8670 -21.8156 -21.8140 -21.7748 -21.7705 -18.9855 -18.9851 -8.6814 -8.6719 -8.2460 -8.2254 -8.1976 -8.1752 -2.6986 -2.6909 -2.4473 -2.4451 -2.4214 -2.4133 5.5064 5.5608 5.7482 5.8607 6.0522 6.0755 6.6281 6.6459 6.6781 6.7057 6.8379 6.8558 7.1538 7.1618 7.3424 7.3478 7.4386 7.4686 10.8011 10.8828 11.1068 11.1492 11.1800 11.2323 14.4600 14.4737 k = 0.1246-0.0004-0.1250 ( 2458 PWs) bands (ev): -46.2451 -46.2451 -23.8717 -23.8682 -21.8179 -21.8160 -21.7763 -21.7718 -18.9846 -18.9841 -8.6721 -8.6620 -8.2381 -8.2157 -8.1842 -8.1604 -2.6971 -2.6890 -2.4470 -2.4446 -2.4178 -2.4091 5.4318 5.4817 5.6974 5.8046 6.0329 6.0547 6.5875 6.6059 6.6554 6.6822 6.8220 6.8371 7.1467 7.1541 7.3374 7.3433 7.4324 7.4624 10.8257 10.9103 11.1552 11.1877 11.2332 11.2807 14.4894 14.5038 k = 0.1335-0.0004-0.1339 ( 2456 PWs) bands (ev): -46.2450 -46.2450 -23.8731 -23.8693 -21.8205 -21.8182 -21.7779 -21.7732 -18.9836 -18.9831 -8.6626 -8.6519 -8.2292 -8.2050 -8.1698 -8.1447 -2.6956 -2.6871 -2.4467 -2.4440 -2.4142 -2.4049 5.3547 5.4004 5.6440 5.7457 6.0126 6.0329 6.5431 6.5628 6.6317 6.6562 6.8066 6.8187 7.1384 7.1452 7.3343 7.3413 7.4248 7.4542 10.8539 10.9408 11.2024 11.2257 11.2931 11.3364 14.5193 14.5344 k = 0.1424-0.0004-0.1429 ( 2452 PWs) bands (ev): -46.2448 -46.2448 -23.8745 -23.8706 -21.8232 -21.8205 -21.7794 -21.7747 -18.9825 -18.9820 -8.6531 -8.6417 -8.2192 -8.1934 -8.1545 -8.1282 -2.6941 -2.6852 -2.4463 -2.4434 -2.4105 -2.4007 5.2757 5.3174 5.5881 5.6845 5.9914 6.0103 6.4952 6.5167 6.6064 6.6274 6.7919 6.8009 7.1287 7.1347 7.3337 7.3425 7.4162 7.4444 10.8855 10.9742 11.2484 11.2665 11.3565 11.3982 14.5496 14.5654 k = 0.1513-0.0005-0.1518 ( 2452 PWs) bands (ev): -46.2447 -46.2447 -23.8760 -23.8719 -21.8261 -21.8230 -21.7810 -21.7761 -18.9815 -18.9810 -8.6435 -8.6316 -8.2081 -8.1806 -8.1382 -8.1110 -2.6927 -2.6834 -2.4459 -2.4428 -2.4069 -2.3966 5.1953 5.2333 5.5299 5.6211 5.9693 5.9867 6.4439 6.4676 6.5790 6.5960 6.7781 6.7840 7.1177 7.1229 7.3353 7.3470 7.4077 7.4335 10.9205 11.0106 11.2935 11.3107 11.4229 11.4645 14.5800 14.5964 k = 0.1602-0.0005-0.1607 ( 2452 PWs) bands (ev): -46.2446 -46.2446 -23.8776 -23.8733 -21.8291 -21.8257 -21.7826 -21.7776 -18.9804 -18.9799 -8.6340 -8.6215 -8.1958 -8.1668 -8.1209 -8.0931 -2.6913 -2.6817 -2.4454 -2.4421 -2.4034 -2.3926 5.1139 5.1486 5.4697 5.5558 5.9461 5.9621 6.3891 6.4151 6.5493 6.5620 6.7653 6.7682 7.1057 7.1102 7.3375 7.3547 7.4007 7.4221 10.9588 11.0499 11.3391 11.3577 11.4920 11.5343 14.6105 14.6275 k = 0.1691-0.0005-0.1696 ( 2448 PWs) bands (ev): -46.2445 -46.2445 -23.8791 -23.8747 -21.8323 -21.8284 -21.7841 -21.7791 -18.9793 -18.9788 -8.6246 -8.6115 -8.1822 -8.1519 -8.1028 -8.0745 -2.6899 -2.6800 -2.4449 -2.4413 -2.4001 -2.3887 5.0319 5.0635 5.4077 5.4889 5.9219 5.9365 6.3310 6.3592 6.5172 6.5262 6.7534 6.7538 7.0931 7.0970 7.3376 7.3641 7.3976 7.4122 11.0003 11.0920 11.3858 11.4067 11.5633 11.6066 14.6408 14.6584 k = 0.1780-0.0005-0.1786 ( 2446 PWs) bands (ev): -46.2443 -46.2443 -23.8808 -23.8762 -21.8356 -21.8313 -21.7857 -21.7806 -18.9782 -18.9776 -8.6154 -8.6018 -8.1674 -8.1359 -8.0838 -8.0553 -2.6885 -2.6784 -2.4443 -2.4405 -2.3969 -2.3850 4.9497 4.9785 5.3441 5.4207 5.8964 5.9096 6.2699 6.2999 6.4823 6.4895 6.7407 6.7430 7.0802 7.0839 7.3330 7.3702 7.3993 7.4103 11.0447 11.1369 11.4342 11.4574 11.6366 11.6808 14.6707 14.6889 k = 0.1869-0.0006-0.1875 ( 2448 PWs) bands (ev): -46.2442 -46.2442 -23.8825 -23.8777 -21.8390 -21.8343 -21.7873 -21.7821 -18.9771 -18.9765 -8.6064 -8.5923 -8.1513 -8.1188 -8.0641 -8.0355 -2.6873 -2.6769 -2.4438 -2.4396 -2.3940 -2.3816 4.8676 4.8938 5.2792 5.3513 5.8695 5.8812 6.2061 6.2375 6.4448 6.4528 6.7292 6.7335 7.0674 7.0712 7.3240 7.3646 7.4099 7.4202 11.0920 11.1844 11.4840 11.5094 11.7114 11.7565 14.7002 14.7190 k = 0.1958-0.0006-0.1964 ( 2454 PWs) bands (ev): -46.2442 -46.2442 -23.8842 -23.8793 -21.8425 -21.8374 -21.7888 -21.7836 -18.9760 -18.9754 -8.5977 -8.5832 -8.1340 -8.1007 -8.0436 -8.0153 -2.6861 -2.6755 -2.4432 -2.4387 -2.3915 -2.3785 4.7859 4.8097 5.2132 5.2809 5.8408 5.8510 6.1403 6.1727 6.4056 6.4159 6.7192 6.7253 7.0550 7.0590 7.3122 7.3520 7.4279 7.4368 11.1418 11.2343 11.5352 11.5626 11.7876 11.8334 14.7292 14.7485 k = 0.2047-0.0006-0.2054 ( 2458 PWs) bands (ev): -46.2441 -46.2441 -23.8859 -23.8810 -21.8460 -21.8407 -21.7904 -21.7851 -18.9749 -18.9743 -8.5893 -8.5743 -8.1156 -8.0817 -8.0223 -7.9946 -2.6850 -2.6741 -2.4425 -2.4378 -2.3892 -2.3757 4.7048 4.7264 5.1463 5.2099 5.8096 5.8182 6.0735 6.1064 6.3657 6.3785 6.7107 6.7184 7.0432 7.0475 7.2990 7.3373 7.4496 7.4571 11.1940 11.2864 11.5876 11.6168 11.8649 11.9111 14.7574 14.7774 k = 0.2136-0.0007-0.2143 ( 2448 PWs) bands (ev): -46.2439 -46.2439 -23.8876 -23.8826 -21.8496 -21.8439 -21.7919 -21.7865 -18.9737 -18.9732 -8.5811 -8.5658 -8.0960 -8.0618 -8.0004 -7.9734 -2.6839 -2.6729 -2.4418 -2.4367 -2.3872 -2.3732 4.6246 4.6443 5.0788 5.1385 5.7745 5.7819 6.0073 6.0403 6.3258 6.3406 6.7036 6.7127 7.0320 7.0366 7.2852 7.3219 7.4737 7.4802 11.2483 11.3406 11.6410 11.6718 11.9429 11.9896 14.7849 14.8054 k = 0.2225-0.0007-0.2232 ( 2452 PWs) bands (ev): -46.2438 -46.2438 -23.8894 -23.8843 -21.8533 -21.8473 -21.7934 -21.7880 -18.9726 -18.9721 -8.5731 -8.5577 -8.0753 -8.0411 -7.9779 -7.9520 -2.6830 -2.6718 -2.4412 -2.4357 -2.3857 -2.3711 4.5455 4.5633 5.0109 5.0668 5.7335 5.7407 5.9439 5.9766 6.2860 6.3025 6.6981 6.7083 7.0215 7.0263 7.2711 7.3063 7.4996 7.5055 11.3046 11.3965 11.6950 11.7274 12.0215 12.0684 14.8115 14.8325 k = 0.2314-0.0007-0.2321 ( 2452 PWs) bands (ev): -46.2437 -46.2437 -23.8911 -23.8860 -21.8571 -21.8508 -21.7948 -21.7894 -18.9716 -18.9711 -8.5655 -8.5499 -8.0537 -8.0196 -7.9547 -7.9302 -2.6821 -2.6708 -2.4404 -2.4345 -2.3845 -2.3694 4.4678 4.4838 4.9429 4.9950 5.6846 5.6925 5.8860 5.9178 6.2465 6.2644 6.6939 6.7052 7.0117 7.0167 7.2571 7.2906 7.5272 7.5324 11.3625 11.4541 11.7496 11.7833 12.1005 12.1473 14.8371 14.8586 k = 0.2403-0.0007-0.2411 ( 2452 PWs) bands (ev): -46.2435 -46.2435 -23.8929 -23.8878 -21.8608 -21.8543 -21.7963 -21.7908 -18.9705 -18.9700 -8.5581 -8.5424 -8.0313 -7.9976 -7.9311 -7.9082 -2.6813 -2.6700 -2.4397 -2.4334 -2.3838 -2.3681 4.3915 4.4060 4.8748 4.9234 5.6266 5.6356 5.8356 5.8660 6.2075 6.2263 6.6913 6.7034 7.0025 7.0076 7.2433 7.2752 7.5561 7.5608 11.4219 11.5131 11.8045 11.8394 12.1795 12.2263 14.8617 14.8837 k = 0.2492-0.0008-0.2500 ( 2454 PWs) bands (ev): -46.2435 -46.2435 -23.8947 -23.8895 -21.8645 -21.8578 -21.7977 -21.7922 -18.9695 -18.9690 -8.5509 -8.5352 -8.0082 -7.9750 -7.9070 -7.8860 -2.6807 -2.6692 -2.4390 -2.4322 -2.3835 -2.3672 4.3168 4.3299 4.8070 4.8522 5.5602 5.5697 5.7930 5.8214 6.1690 6.1886 6.6901 6.7029 6.9940 6.9990 7.2298 7.2600 7.5861 7.5903 11.4825 11.5732 11.8594 11.8955 12.2585 12.3050 14.8851 14.9075 k = 0.2581-0.0008-0.2589 ( 2454 PWs) bands (ev): -46.2433 -46.2433 -23.8964 -23.8912 -21.8683 -21.8613 -21.7991 -21.7936 -18.9685 -18.9680 -8.5439 -8.5283 -7.9844 -7.9519 -7.8825 -7.8637 -2.6801 -2.6686 -2.4384 -2.4311 -2.3836 -2.3666 4.2440 4.2558 4.7396 4.7816 5.4873 5.4966 5.7565 5.7830 6.1310 6.1511 6.6903 6.7038 6.9861 6.9910 7.2168 7.2452 7.6170 7.6209 11.5441 11.6342 11.9143 11.9513 12.3373 12.3833 14.9073 14.9302 k = 0.2670-0.0008-0.2679 ( 2456 PWs) bands (ev): -46.2432 -46.2432 -23.8981 -23.8930 -21.8720 -21.8649 -21.8004 -21.7950 -18.9675 -18.9671 -8.5372 -8.5216 -7.9603 -7.9286 -7.8577 -7.8413 -2.6796 -2.6681 -2.4377 -2.4299 -2.3840 -2.3664 4.1732 4.1838 4.6728 4.7117 5.4099 5.4185 5.7245 5.7492 6.0937 6.1141 6.6919 6.7060 6.9787 6.9834 7.2042 7.2309 7.6487 7.6522 11.6065 11.6959 11.9687 12.0068 12.4155 12.4610 14.9283 14.9515 k = 0.2759-0.0008-0.2768 ( 2452 PWs) bands (ev): -46.2430 -46.2430 -23.8999 -23.8947 -21.8756 -21.8685 -21.8017 -21.7963 -18.9666 -18.9661 -8.5306 -8.5152 -7.9358 -7.9049 -7.8327 -7.8189 -2.6792 -2.6677 -2.4371 -2.4288 -2.3849 -2.3666 4.1044 4.1140 4.6068 4.6427 5.3299 5.3373 5.6955 5.7188 6.0570 6.0777 6.6948 6.7095 6.9718 6.9763 7.1921 7.2170 7.6809 7.6842 11.6694 11.7581 12.0227 12.0616 12.4931 12.5379 14.9480 14.9716 k = 0.2848-0.0009-0.2857 ( 2452 PWs) bands (ev): -46.2429 -46.2429 -23.9015 -23.8965 -21.8793 -21.8721 -21.8030 -21.7976 -18.9657 -18.9653 -8.5241 -8.5090 -7.9113 -7.8812 -7.8076 -7.7965 -2.6789 -2.6674 -2.4366 -2.4277 -2.3860 -2.3671 4.0379 4.0466 4.5417 4.5748 5.2484 5.2545 5.6688 5.6909 6.0210 6.0419 6.6991 6.7143 6.9654 6.9696 7.1805 7.2037 7.7136 7.7165 11.7326 11.8206 12.0760 12.1157 12.5698 12.6138 14.9664 14.9902 k = 0.2937-0.0009-0.2946 ( 2456 PWs) bands (ev): -46.2428 -46.2428 -23.9032 -23.8982 -21.8828 -21.8756 -21.8042 -21.7989 -18.9648 -18.9644 -8.5179 -8.5031 -7.8867 -7.8573 -7.7825 -7.7741 -2.6788 -2.6673 -2.4362 -2.4268 -2.3873 -2.3678 3.9738 3.9816 4.4777 4.5082 5.1663 5.1709 5.6438 5.6649 5.9858 6.0067 6.7047 6.7204 6.9595 6.9633 7.1696 7.1909 7.7465 7.7492 11.7959 11.8830 12.1284 12.1689 12.6455 12.6885 14.9835 15.0075 k = 0.3026-0.0009-0.3036 ( 2448 PWs) bands (ev): -46.2426 -46.2426 -23.9048 -23.8999 -21.8863 -21.8791 -21.8053 -21.8002 -18.9640 -18.9636 -8.5118 -8.4973 -7.8623 -7.8335 -7.7576 -7.7517 -2.6787 -2.6673 -2.4359 -2.4260 -2.3888 -2.3688 3.9121 3.9192 4.4150 4.4430 5.0843 5.0874 5.6202 5.6405 5.9514 5.9722 6.7116 6.7276 6.9539 6.9574 7.1591 7.1786 7.7796 7.7820 11.8591 11.9453 12.1797 12.2210 12.7200 12.7619 14.9992 15.0234 k = 0.3115-0.0010-0.3125 ( 2454 PWs) bands (ev): -46.2426 -46.2426 -23.9064 -23.9016 -21.8897 -21.8825 -21.8065 -21.8014 -18.9632 -18.9628 -8.5058 -8.4917 -7.8382 -7.8098 -7.7333 -7.7290 -2.6788 -2.6674 -2.4358 -2.4254 -2.3904 -2.3699 3.8530 3.8595 4.3537 4.3793 5.0028 5.0047 5.5978 5.6176 5.9178 5.9385 6.7195 6.7359 6.9488 6.9518 7.1492 7.1670 7.8125 7.8147 11.9218 12.0071 12.2299 12.2719 12.7930 12.8337 15.0137 15.0379 k = 0.3204-0.0010-0.3214 ( 2458 PWs) bands (ev): -46.2425 -46.2425 -23.9080 -23.9032 -21.8930 -21.8859 -21.8076 -21.8026 -18.9624 -18.9621 -8.4999 -8.4863 -7.8146 -7.7864 -7.7102 -7.7056 -2.6789 -2.6677 -2.4358 -2.4252 -2.3920 -2.3712 3.7966 3.8026 4.2940 4.3174 4.9218 4.9235 5.5767 5.5959 5.8850 5.9056 6.7285 6.7452 6.9441 6.9465 7.1399 7.1559 7.8453 7.8473 11.9839 12.0682 12.2787 12.3214 12.8644 12.9039 15.0268 15.0510 k = 0.3293-0.0010-0.3304 ( 2454 PWs) bands (ev): -46.2423 -46.2423 -23.9094 -23.9048 -21.8962 -21.8892 -21.8086 -21.8037 -18.9617 -18.9614 -8.4942 -8.4811 -7.7915 -7.7633 -7.6882 -7.6817 -2.6792 -2.6681 -2.4361 -2.4254 -2.3933 -2.3724 3.7430 3.7485 4.2359 4.2574 4.8418 4.8445 5.5567 5.5755 5.8532 5.8736 6.7385 6.7555 6.9397 6.9417 7.1311 7.1453 7.8777 7.8795 12.0452 12.1284 12.3261 12.3694 12.9340 12.9721 15.0386 15.0627 k = 0.3382-0.0010-0.3393 ( 2454 PWs) bands (ev): -46.2422 -46.2422 -23.9109 -23.9064 -21.8993 -21.8925 -21.8095 -21.8048 -18.9611 -18.9608 -8.4887 -8.4760 -7.7690 -7.7407 -7.6668 -7.6580 -2.6795 -2.6686 -2.4365 -2.4261 -2.3944 -2.3738 3.6922 3.6973 4.1797 4.1994 4.7635 4.7674 5.5379 5.5563 5.8224 5.8425 6.7493 6.7666 6.9357 6.9371 7.1228 7.1353 7.9096 7.9112 12.1054 12.1874 12.3718 12.4158 13.0016 13.0382 15.0492 15.0731 k = 0.3472-0.0011-0.3482 ( 2452 PWs) bands (ev): -46.2421 -46.2421 -23.9122 -23.9079 -21.9023 -21.8956 -21.8104 -21.8059 -18.9605 -18.9602 -8.4833 -8.4711 -7.7472 -7.7188 -7.6459 -7.6348 -2.6800 -2.6693 -2.4372 -2.4272 -2.3950 -2.3750 3.6443 3.6491 4.1254 4.1435 4.6873 4.6926 5.5202 5.5382 5.7926 5.8125 6.7608 6.7784 6.9319 6.9330 7.1150 7.1258 7.9408 7.9423 12.1642 12.2451 12.4157 12.4604 13.0670 13.1020 15.0586 15.0823 k = 0.3561-0.0011-0.3571 ( 2452 PWs) bands (ev): -46.2420 -46.2420 -23.9136 -23.9094 -21.9051 -21.8986 -21.8113 -21.8069 -18.9599 -18.9596 -8.4781 -8.4665 -7.7262 -7.6978 -7.6254 -7.6122 -2.6805 -2.6700 -2.4381 -2.4289 -2.3953 -2.3761 3.5993 3.6039 4.0732 4.0898 4.6137 4.6201 5.5037 5.5214 5.7638 5.7834 6.7729 6.7908 6.9282 6.9295 7.1077 7.1168 7.9713 7.9725 12.2215 12.3011 12.4579 12.5031 13.1300 13.1633 15.0668 15.0901 k = 0.3650-0.0011-0.3661 ( 2454 PWs) bands (ev): -46.2419 -46.2419 -23.9148 -23.9108 -21.9078 -21.9016 -21.8121 -21.8079 -18.9594 -18.9591 -8.4730 -8.4620 -7.7060 -7.6776 -7.6053 -7.5904 -2.6811 -2.6709 -2.4392 -2.4310 -2.3952 -2.3772 3.5574 3.5618 4.0231 4.0384 4.5429 4.5504 5.4884 5.5057 5.7362 5.7554 6.7854 6.8036 6.9246 6.9266 7.1008 7.1082 8.0008 8.0019 12.2770 12.3553 12.4980 12.5439 13.1904 13.2219 15.0740 15.0968 k = 0.3739-0.0011-0.3750 ( 2452 PWs) bands (ev): -46.2418 -46.2418 -23.9160 -23.9122 -21.9103 -21.9043 -21.8128 -21.8089 -18.9589 -18.9587 -8.4681 -8.4577 -7.6867 -7.6585 -7.5858 -7.5695 -2.6818 -2.6720 -2.4406 -2.4335 -2.3948 -2.3781 3.5185 3.5228 3.9754 3.9895 4.4753 4.4836 5.4742 5.4913 5.7097 5.7286 6.7982 6.8167 6.9212 6.9242 7.0942 7.1002 8.0292 8.0302 12.3306 12.4074 12.5360 12.5825 13.2480 13.2777 15.0802 15.1024 k = 0.3828-0.0012-0.3839 ( 2452 PWs) bands (ev): -46.2417 -46.2417 -23.9171 -23.9135 -21.9127 -21.9070 -21.8135 -21.8098 -18.9584 -18.9582 -8.4635 -8.4537 -7.6683 -7.6406 -7.5668 -7.5497 -2.6825 -2.6731 -2.4421 -2.4361 -2.3941 -2.3788 3.4827 3.4870 3.9300 3.9431 4.4110 4.4200 5.4613 5.4780 5.6844 5.7029 6.8110 6.8299 6.9180 6.9222 7.0881 7.0925 8.0563 8.0572 12.3819 12.4571 12.5718 12.6189 13.3027 13.3305 15.0854 15.1069 k = 0.3917-0.0012-0.3929 ( 2446 PWs) bands (ev): -46.2415 -46.2415 -23.9181 -23.9147 -21.9149 -21.9095 -21.8141 -21.8106 -18.9580 -18.9578 -8.4590 -8.4499 -7.6509 -7.6240 -7.5486 -7.5309 -2.6832 -2.6743 -2.4437 -2.4388 -2.3932 -2.3794 3.4500 3.4542 3.8872 3.8993 4.3503 4.3598 5.4497 5.4660 5.6605 5.6785 6.8236 6.8431 6.9151 6.9208 7.0823 7.0852 8.0821 8.0829 12.4307 12.5044 12.6054 12.6530 13.3543 13.3801 15.0899 15.1104 k = 0.4006-0.0012-0.4018 ( 2446 PWs) bands (ev): -46.2415 -46.2415 -23.9190 -23.9159 -21.9169 -21.9119 -21.8147 -21.8114 -18.9576 -18.9575 -8.4548 -8.4463 -7.6345 -7.6087 -7.5311 -7.5134 -2.6840 -2.6755 -2.4455 -2.4416 -2.3923 -2.3798 3.4204 3.4245 3.8470 3.8581 4.2936 4.3034 5.4392 5.4552 5.6379 5.6554 6.8359 6.8560 6.9125 6.9201 7.0768 7.0783 8.1064 8.1071 12.4769 12.5487 12.6366 12.6846 13.4025 13.4264 15.0936 15.1131 k = 0.4095-0.0013-0.4107 ( 2446 PWs) bands (ev): -46.2414 -46.2414 -23.9198 -23.9170 -21.9187 -21.9141 -21.8152 -21.8122 -18.9573 -18.9571 -8.4508 -8.4431 -7.6192 -7.5947 -7.5145 -7.4972 -2.6848 -2.6768 -2.4473 -2.4442 -2.3913 -2.3802 3.3938 3.3979 3.8096 3.8198 4.2410 4.2508 5.4301 5.4456 5.6168 5.6337 6.8475 6.8685 6.9102 6.9202 7.0715 7.0718 8.1291 8.1297 12.5202 12.5900 12.6655 12.7137 13.4473 13.4691 15.0966 15.1150 k = 0.4184-0.0013-0.4196 ( 2452 PWs) bands (ev): -46.2414 -46.2414 -23.9206 -23.9180 -21.9204 -21.9162 -21.8157 -21.8129 -18.9570 -18.9569 -8.4471 -8.4401 -7.6050 -7.5821 -7.4990 -7.4823 -2.6855 -2.6782 -2.4491 -2.4468 -2.3903 -2.3805 3.3702 3.3742 3.7750 3.7843 4.1927 4.2024 5.4222 5.4371 5.5972 5.6134 6.8581 6.8803 6.9084 6.9212 7.0656 7.0665 8.1501 8.1506 12.5605 12.6279 12.6921 12.7402 13.4884 13.5082 15.0991 15.1163 k = 0.4273-0.0013-0.4286 ( 2448 PWs) bands (ev): -46.2413 -46.2413 -23.9213 -23.9189 -21.9219 -21.9181 -21.8160 -21.8135 -18.9567 -18.9566 -8.4437 -8.4374 -7.5919 -7.5710 -7.4846 -7.4690 -2.6862 -2.6795 -2.4508 -2.4491 -2.3892 -2.3807 3.3496 3.3535 3.7434 3.7519 4.1489 4.1583 5.4155 5.4298 5.5792 5.5946 6.8672 6.8905 6.9077 6.9236 7.0597 7.0617 8.1692 8.1697 12.5976 12.6621 12.7164 12.7639 13.5259 13.5435 15.1012 15.1169 k = 0.4362-0.0013-0.4375 ( 2450 PWs) bands (ev): -46.2413 -46.2413 -23.9219 -23.9198 -21.9232 -21.9198 -21.8164 -21.8141 -18.9565 -18.9564 -8.4406 -8.4350 -7.5801 -7.5613 -7.4714 -7.4571 -2.6869 -2.6809 -2.4525 -2.4513 -2.3882 -2.3809 3.3319 3.3356 3.7150 3.7225 4.1099 4.1187 5.4101 5.4236 5.5629 5.5774 6.8746 6.8969 6.9102 6.9274 7.0541 7.0571 8.1864 8.1868 12.6313 12.6920 12.7388 12.7847 13.5594 13.5749 15.1029 15.1171 k = 0.4451-0.0014-0.4464 ( 2454 PWs) bands (ev): -46.2413 -46.2413 -23.9224 -23.9206 -21.9243 -21.9213 -21.8166 -21.8147 -18.9563 -18.9562 -8.4378 -8.4330 -7.5696 -7.5530 -7.4596 -7.4468 -2.6874 -2.6821 -2.4540 -2.4532 -2.3873 -2.3810 3.3169 3.3203 3.6899 3.6964 4.0758 4.0838 5.4059 5.4183 5.5485 5.5618 6.8800 6.8982 6.9173 6.9325 7.0490 7.0526 8.2015 8.2019 12.6614 12.7171 12.7595 12.8026 13.5889 13.6023 15.1044 15.1168 k = 0.4540-0.0014-0.4554 ( 2454 PWs) bands (ev): -46.2412 -46.2412 -23.9228 -23.9213 -21.9252 -21.9227 -21.8168 -21.8152 -18.9561 -18.9560 -8.4354 -8.4313 -7.5603 -7.5461 -7.4492 -7.4382 -2.6879 -2.6834 -2.4553 -2.4548 -2.3863 -2.3812 3.3046 3.3077 3.6682 3.6737 4.0467 4.0537 5.4028 5.4139 5.5361 5.5480 6.8839 6.8975 6.9256 6.9384 7.0442 7.0483 8.2146 8.2149 12.6880 12.7371 12.7788 12.8174 13.6143 13.6255 15.1056 15.1163 k = 0.4629-0.0014-0.4643 ( 2452 PWs) bands (ev): -46.2412 -46.2412 -23.9231 -23.9218 -21.9259 -21.9238 -21.8169 -21.8156 -18.9560 -18.9559 -8.4333 -8.4300 -7.5523 -7.5408 -7.4403 -7.4312 -2.6881 -2.6845 -2.4565 -2.4562 -2.3855 -2.3814 3.2948 3.2974 3.6501 3.6546 4.0227 4.0286 5.4007 5.4103 5.5258 5.5360 6.8865 6.8965 6.9336 6.9442 7.0401 7.0443 8.2254 8.2256 12.7109 12.7519 12.7964 12.8290 13.6356 13.6446 15.1067 15.1155 k = 0.4718-0.0014-0.4732 ( 2452 PWs) bands (ev): -46.2412 -46.2412 -23.9233 -23.9223 -21.9264 -21.9248 -21.8170 -21.8160 -18.9558 -18.9558 -8.4315 -8.4290 -7.5457 -7.5368 -7.4330 -7.4259 -2.6883 -2.6855 -2.4574 -2.4572 -2.3847 -2.3816 3.2874 3.2895 3.6358 3.6392 4.0039 4.0085 5.3996 5.4074 5.5179 5.5261 6.8884 6.8954 6.9408 6.9493 7.0366 7.0406 8.2340 8.2342 12.7301 12.7619 12.8119 12.8374 13.6526 13.6595 15.1078 15.1145 k = 0.4807-0.0015-0.4821 ( 2456 PWs) bands (ev): -46.2412 -46.2412 -23.9234 -23.9227 -21.9267 -21.9256 -21.8170 -21.8163 -18.9558 -18.9557 -8.4301 -8.4284 -7.5405 -7.5344 -7.4273 -7.4224 -2.6883 -2.6864 -2.4582 -2.4580 -2.3840 -2.3820 3.2822 3.2837 3.6254 3.6277 3.9905 3.9937 5.3994 5.4049 5.5124 5.5183 6.8898 6.8943 6.9469 6.9531 7.0342 7.0373 8.2403 8.2404 12.7454 12.7674 12.8246 12.8424 13.6653 13.6700 15.1088 15.1135 k = 0.4896-0.0015-0.4911 ( 2464 PWs) bands (ev): -46.2413 -46.2413 -23.9234 -23.9231 -21.9268 -21.9262 -21.8170 -21.8166 -18.9557 -18.9557 -8.4291 -8.4281 -7.5367 -7.5334 -7.4233 -7.4206 -2.6882 -2.6871 -2.4586 -2.4585 -2.3834 -2.3823 3.2792 3.2800 3.6190 3.6203 3.9823 3.9841 5.3998 5.4029 5.5094 5.5127 6.8909 6.8933 6.9515 6.9550 7.0328 7.0348 8.2443 8.2443 12.7569 12.7689 12.8343 12.8440 13.6737 13.6762 15.1098 15.1124 k = 0.4985-0.0015-0.5000 ( 2464 PWs) bands (ev): -46.2413 -46.2413 -23.9233 -23.9233 -21.9266 -21.9266 -21.8169 -21.8168 -18.9557 -18.9557 -8.4284 -8.4283 -7.5343 -7.5338 -7.4210 -7.4206 -2.6878 -2.6877 -2.4588 -2.4588 -2.3829 -2.3827 3.2782 3.2783 3.6168 3.6169 3.9795 3.9797 5.4008 5.4013 5.5091 5.5096 6.8919 6.8923 6.9544 6.9549 7.0328 7.0331 8.2459 8.2459 12.7646 12.7664 12.8408 12.8422 13.6777 13.6780 15.1109 15.1113 k = 0.5015 0.4969-0.0031 ( 2464 PWs) bands (ev): -46.2413 -46.2413 -23.9233 -23.9233 -21.9266 -21.9266 -21.8169 -21.8168 -18.9557 -18.9557 -8.4284 -8.4283 -7.5343 -7.5339 -7.4210 -7.4206 -2.6878 -2.6877 -2.4588 -2.4588 -2.3829 -2.3827 3.2782 3.2783 3.6167 3.6169 3.9795 3.9797 5.4008 5.4013 5.5091 5.5096 6.8920 6.8923 6.9544 6.9549 7.0329 7.0332 8.2459 8.2459 12.7646 12.7664 12.8408 12.8422 13.6777 13.6780 15.1109 15.1113 k = 0.5000 0.4985-0.0031 ( 2464 PWs) bands (ev): -46.2413 -46.2413 -23.9233 -23.9233 -21.9266 -21.9266 -21.8168 -21.8168 -18.9557 -18.9557 -8.4283 -8.4283 -7.5341 -7.5341 -7.4208 -7.4208 -2.6877 -2.6877 -2.4588 -2.4588 -2.3828 -2.3828 3.2782 3.2782 3.6168 3.6168 3.9795 3.9795 5.4010 5.4010 5.5093 5.5093 6.8921 6.8921 6.9547 6.9547 7.0330 7.0330 8.2459 8.2459 12.7655 12.7655 12.8415 12.8415 13.6779 13.6779 15.1111 15.1111 k = 0.5000 0.4985-0.0031 ( 2464 PWs) bands (ev): -46.2413 -46.2413 -23.9233 -23.9233 -21.9266 -21.9266 -21.8168 -21.8168 -18.9557 -18.9557 -8.4283 -8.4283 -7.5341 -7.5341 -7.4208 -7.4208 -2.6877 -2.6877 -2.4588 -2.4588 -2.3828 -2.3828 3.2782 3.2782 3.6168 3.6168 3.9795 3.9795 5.4010 5.4010 5.5093 5.5093 6.8921 6.8921 6.9547 6.9547 7.0330 7.0330 8.2459 8.2459 12.7655 12.7655 12.8415 12.8415 13.6779 13.6779 15.1111 15.1111 k = 0.5000 0.4985 0.0097 ( 2464 PWs) bands (ev): -46.2413 -46.2413 -23.9235 -23.9232 -21.9266 -21.9266 -21.8172 -21.8167 -18.9557 -18.9557 -8.4274 -8.4263 -7.5343 -7.5336 -7.4207 -7.4206 -2.6891 -2.6872 -2.4592 -2.4591 -2.3843 -2.3824 3.2782 3.2783 3.6167 3.6169 3.9804 3.9805 5.3971 5.3981 5.5061 5.5062 6.8950 6.8962 6.9582 6.9585 7.0271 7.0277 8.2460 8.2460 12.7639 12.7684 12.8411 12.8425 13.6778 13.6783 15.1168 15.1214 k = 0.5001 0.4985 0.0224 ( 2462 PWs) bands (ev): -46.2413 -46.2413 -23.9237 -23.9232 -21.9266 -21.9265 -21.8179 -21.8170 -18.9556 -18.9556 -8.4237 -8.4214 -7.5343 -7.5329 -7.4204 -7.4203 -2.6911 -2.6874 -2.4603 -2.4602 -2.3867 -2.3830 3.2783 3.2784 3.6167 3.6170 3.9831 3.9833 5.3864 5.3884 5.4968 5.4968 6.9040 6.9068 6.9688 6.9694 7.0110 7.0119 8.2461 8.2461 12.7635 12.7726 12.8417 12.8441 13.6779 13.6790 15.1384 15.1475 k = 0.5001 0.4986 0.0352 ( 2462 PWs) bands (ev): -46.2413 -46.2413 -23.9241 -23.9233 -21.9267 -21.9265 -21.8189 -21.8175 -18.9555 -18.9555 -8.4171 -8.4137 -7.5340 -7.5320 -7.4198 -7.4197 -2.6940 -2.6884 -2.4622 -2.4621 -2.3901 -2.3846 3.2785 3.2786 3.6168 3.6172 3.9877 3.9879 5.3694 5.3723 5.4816 5.4816 6.9149 6.9207 6.9791 6.9815 6.9943 6.9954 8.2464 8.2464 12.7638 12.7781 12.8437 12.8463 13.6784 13.6799 15.1754 15.1886 k = 0.5002 0.4986 0.0479 ( 2460 PWs) bands (ev): -46.2412 -46.2412 -23.9245 -23.9235 -21.9267 -21.9264 -21.8202 -21.8184 -18.9553 -18.9553 -8.4076 -8.4031 -7.5335 -7.5308 -7.4190 -7.4189 -2.6975 -2.6902 -2.4649 -2.4646 -2.3945 -2.3872 3.2787 3.2788 3.6168 3.6174 3.9940 3.9943 5.3465 5.3503 5.4610 5.4611 6.9073 6.9167 6.9735 6.9770 7.0146 7.0147 8.2467 8.2468 12.7650 12.7847 12.8476 12.8496 13.6791 13.6811 15.2271 15.2439 k = 0.5002 0.4987 0.0606 ( 2458 PWs) bands (ev): -46.2411 -46.2411 -23.9250 -23.9238 -21.9266 -21.9264 -21.8218 -21.8195 -18.9551 -18.9551 -8.3954 -8.3897 -7.5328 -7.5294 -7.4181 -7.4179 -2.7018 -2.6927 -2.4682 -2.4679 -2.3998 -2.3908 3.2789 3.2791 3.6169 3.6177 4.0021 4.0025 5.3185 5.3231 5.4358 5.4358 6.8652 6.8743 6.9965 6.9980 7.0448 7.0451 8.2472 8.2472 12.7668 12.7923 12.8540 12.8546 13.6801 13.6826 15.2923 15.3122 k = 0.5002 0.4987 0.0734 ( 2455 PWs) bands (ev): -46.2411 -46.2411 -23.9255 -23.9241 -21.9266 -21.9263 -21.8236 -21.8209 -18.9549 -18.9549 -8.3804 -8.3736 -7.5319 -7.5277 -7.4169 -7.4167 -2.7067 -2.6959 -2.4722 -2.4718 -2.4059 -2.3953 3.2792 3.2795 3.6170 3.6179 4.0119 4.0124 5.2860 5.2913 5.4065 5.4065 6.8051 6.8145 7.0316 7.0318 7.0805 7.0809 8.2477 8.2478 12.7694 12.8006 12.8620 12.8632 13.6814 13.6844 15.3697 15.3922 k = 0.5003 0.4987 0.0861 ( 2456 PWs) bands (ev): -46.2410 -46.2410 -23.9262 -23.9246 -21.9266 -21.9262 -21.8257 -21.8226 -18.9546 -18.9546 -8.3628 -8.3549 -7.5307 -7.5258 -7.4155 -7.4152 -2.7124 -2.6999 -2.4770 -2.4765 -2.4130 -2.4007 3.2796 3.2799 3.6170 3.6181 4.0234 4.0239 5.2498 5.2557 5.3739 5.3739 6.7338 6.7437 7.0721 7.0725 7.1207 7.1212 8.2484 8.2485 12.7731 12.8093 12.8723 12.8753 13.6830 13.6864 15.4580 15.4823 k = 0.5003 0.4988 0.0989 ( 2459 PWs) bands (ev): -46.2410 -46.2410 -23.9269 -23.9251 -21.9266 -21.9261 -21.8281 -21.8246 -18.9543 -18.9543 -8.3427 -8.3336 -7.5294 -7.5237 -7.4139 -7.4136 -2.7186 -2.7045 -2.4823 -2.4818 -2.4208 -2.4070 3.2800 3.2803 3.6170 3.6182 4.0364 4.0369 5.2104 5.2169 5.3387 5.3387 6.6532 6.6641 7.1168 7.1177 7.1646 7.1652 8.2491 8.2492 12.7783 12.8186 12.8859 12.8903 13.6849 13.6887 15.5554 15.5809 k = 0.5004 0.4988 0.1116 ( 2451 PWs) bands (ev): -46.2408 -46.2408 -23.9277 -23.9257 -21.9266 -21.9261 -21.8307 -21.8268 -18.9539 -18.9539 -8.3201 -8.3099 -7.5278 -7.5213 -7.4121 -7.4118 -2.7254 -2.7098 -2.4883 -2.4876 -2.4293 -2.4141 3.2805 3.2808 3.6169 3.6183 4.0508 4.0514 5.1685 5.1755 5.3014 5.3014 6.5649 6.5767 7.1650 7.1660 7.2115 7.2122 8.2500 8.2501 12.7853 12.8287 12.9028 12.9080 13.6871 13.6914 15.6604 15.6866 k = 0.5004 0.4989 0.1244 ( 2449 PWs) bands (ev): -46.2407 -46.2407 -23.9286 -23.9264 -21.9266 -21.9260 -21.8335 -21.8292 -18.9535 -18.9535 -8.2952 -8.2838 -7.5260 -7.5188 -7.4102 -7.4098 -2.7327 -2.7157 -2.4948 -2.4940 -2.4384 -2.4220 3.2810 3.2814 3.6167 3.6182 4.0667 4.0673 5.1245 5.1320 5.2626 5.2627 6.4701 6.4828 7.2157 7.2169 7.2608 7.2616 8.2509 8.2510 12.7944 12.8401 12.9227 12.9284 13.6895 13.6943 15.7713 15.7975 k = 0.5004 0.4989 0.1371 ( 2450 PWs) bands (ev): -46.2407 -46.2407 -23.9295 -23.9271 -21.9266 -21.9259 -21.8364 -21.8319 -18.9531 -18.9531 -8.2680 -8.2555 -7.5241 -7.5160 -7.4081 -7.4076 -2.7406 -2.7222 -2.5019 -2.5009 -2.4482 -2.4305 3.2816 3.2820 3.6163 3.6179 4.0838 4.0845 5.0790 5.0868 5.2228 5.2229 6.3698 6.3834 7.2683 7.2695 7.3119 7.3127 8.2519 8.2520 12.8059 12.8531 12.9455 12.9513 13.6923 13.6974 15.8863 15.9120 k = 0.5005 0.4989 0.1498 ( 2446 PWs) bands (ev): -46.2405 -46.2405 -23.9304 -23.9279 -21.9266 -21.9259 -21.8396 -21.8347 -18.9526 -18.9526 -8.2388 -8.2252 -7.5220 -7.5130 -7.4058 -7.4053 -2.7488 -2.7292 -2.5095 -2.5083 -2.4585 -2.4397 3.2822 3.2827 3.6156 3.6174 4.1020 4.1027 5.0322 5.0404 5.1824 5.1825 6.2651 6.2796 7.3222 7.3235 7.3642 7.3651 8.2529 8.2531 12.8199 12.8681 12.9708 12.9767 13.6952 13.7008 16.0038 16.0284 k = 0.5005 0.4990 0.1626 ( 2446 PWs) bands (ev): -46.2405 -46.2405 -23.9314 -23.9288 -21.9266 -21.9258 -21.8428 -21.8377 -18.9522 -18.9522 -8.2078 -8.1929 -7.5198 -7.5098 -7.4034 -7.4029 -2.7575 -2.7367 -2.5175 -2.5161 -2.4692 -2.4495 3.2829 3.2834 3.6148 3.6167 4.1212 4.1220 4.9844 4.9929 5.1417 5.1420 6.1573 6.1726 7.3770 7.3782 7.4174 7.4183 8.2540 8.2542 12.8364 12.8852 12.9985 13.0043 13.6985 13.7045 16.1219 16.1448 k = 0.5005 0.4990 0.1753 ( 2446 PWs) bands (ev): -46.2404 -46.2404 -23.9325 -23.9297 -21.9266 -21.9258 -21.8462 -21.8408 -18.9517 -18.9517 -8.1750 -8.1589 -7.5174 -7.5064 -7.4009 -7.4003 -2.7665 -2.7447 -2.5259 -2.5243 -2.4803 -2.4598 3.2836 3.2841 3.6136 3.6156 4.1414 4.1422 4.9358 4.9445 5.1012 5.1014 6.0473 6.0634 7.4322 7.4333 7.4709 7.4719 8.2552 8.2554 12.8554 12.9045 13.0285 13.0340 13.7019 13.7084 16.2386 16.2593 k = 0.5006 0.4991 0.1881 ( 2448 PWs) bands (ev): -46.2403 -46.2403 -23.9336 -23.9307 -21.9266 -21.9258 -21.8497 -21.8441 -18.9512 -18.9512 -8.1406 -8.1234 -7.5148 -7.5028 -7.3983 -7.3976 -2.7757 -2.7531 -2.5346 -2.5328 -2.4917 -2.4705 3.2843 3.2848 3.6120 3.6142 4.1622 4.1630 4.8865 4.8955 5.0610 5.0613 5.9363 5.9532 7.4874 7.4884 7.5245 7.5255 8.2564 8.2567 12.8770 12.9260 13.0604 13.0658 13.7056 13.7125 16.3521 16.3700 k = 0.5006 0.4991 0.2008 ( 2448 PWs) bands (ev): -46.2403 -46.2403 -23.9347 -23.9317 -21.9267 -21.9258 -21.8532 -21.8474 -18.9506 -18.9506 -8.1050 -8.0865 -7.5122 -7.4990 -7.3956 -7.3948 -2.7852 -2.7618 -2.5436 -2.5416 -2.5032 -2.4815 3.2851 3.2856 3.6099 3.6122 4.1836 4.1844 4.8367 4.8457 5.0214 5.0217 5.8255 5.8429 7.5422 7.5430 7.5777 7.5788 8.2577 8.2580 12.9010 12.9498 13.0944 13.0994 13.7096 13.7168 16.4603 16.4749 k = 0.5007 0.4991 0.2136 ( 2444 PWs) bands (ev): -46.2401 -46.2401 -23.9358 -23.9328 -21.9268 -21.9258 -21.8567 -21.8508 -18.9501 -18.9501 -8.0682 -8.0485 -7.5094 -7.4950 -7.3928 -7.3919 -2.7948 -2.7708 -2.5528 -2.5505 -2.5149 -2.4929 3.2859 3.2864 3.6073 3.6098 4.2053 4.2062 4.7863 4.7954 4.9825 4.9829 5.7159 5.7338 7.5964 7.5971 7.6304 7.6315 8.2590 8.2593 12.9273 12.9756 13.1300 13.1348 13.7137 13.7214 16.5613 16.5721 k = 0.5007 0.4992 0.2263 ( 2436 PWs) bands (ev): -46.2399 -46.2399 -23.9369 -23.9338 -21.9269 -21.9259 -21.8602 -21.8542 -18.9495 -18.9495 -8.0306 -8.0096 -7.5065 -7.4909 -7.3899 -7.3890 -2.8045 -2.7800 -2.5621 -2.5596 -2.5266 -2.5044 3.2867 3.2872 3.6040 3.6066 4.2273 4.2282 4.7353 4.7443 4.9447 4.9451 5.6086 5.6268 7.6496 7.6501 7.6822 7.6833 8.2603 8.2607 12.9557 13.0033 13.1673 13.1718 13.7181 13.7262 16.6531 16.6598 k = 0.5007 0.4992 0.2390 ( 2437 PWs) bands (ev): -46.2398 -46.2398 -23.9380 -23.9350 -21.9270 -21.9260 -21.8637 -21.8577 -18.9489 -18.9489 -7.9924 -7.9700 -7.5034 -7.4865 -7.3871 -7.3860 -2.8142 -2.7894 -2.5715 -2.5688 -2.5383 -2.5161 3.2875 3.2881 3.5999 3.6026 4.2492 4.2501 4.6838 4.6926 4.9079 4.9083 5.5047 5.5230 7.7017 7.7020 7.7328 7.7339 8.2616 8.2621 12.9859 13.0328 13.2060 13.2101 13.7227 13.7312 16.7343 16.7366 k = 0.5008 0.4992 0.2518 ( 2435 PWs) bands (ev): -46.2397 -46.2397 -23.9392 -23.9361 -21.9272 -21.9262 -21.8672 -21.8611 -18.9484 -18.9484 -7.9538 -7.9300 -7.5003 -7.4818 -7.3842 -7.3830 -2.8238 -2.7989 -2.5810 -2.5780 -2.5499 -2.5279 3.2883 3.2889 3.5949 3.5977 4.2708 4.2716 4.6319 4.6403 4.8724 4.8728 5.4053 5.4235 7.7522 7.7524 7.7821 7.7832 8.2630 8.2635 13.0179 13.0638 13.2458 13.2496 13.7276 13.7365 16.8018 16.8040 k = 0.5008 0.4993 0.2645 ( 2431 PWs) bands (ev): -46.2395 -46.2395 -23.9403 -23.9372 -21.9275 -21.9264 -21.8705 -21.8645 -18.9478 -18.9478 -7.9152 -7.8899 -7.4970 -7.4770 -7.3813 -7.3800 -2.8333 -2.8085 -2.5904 -2.5872 -2.5614 -2.5396 3.2891 3.2897 3.5888 3.5917 4.2916 4.2924 4.5798 4.5876 4.8382 4.8386 5.3114 5.3293 7.8012 7.8012 7.8298 7.8310 8.2643 8.2649 13.0512 13.0960 13.2867 13.2901 13.7327 13.7420 16.8554 16.8619 k = 0.5009 0.4993 0.2773 ( 2434 PWs) bands (ev): -46.2395 -46.2395 -23.9414 -23.9384 -21.9277 -21.9267 -21.8737 -21.8678 -18.9472 -18.9472 -7.8768 -7.8500 -7.4936 -7.4718 -7.3784 -7.3769 -2.8427 -2.8181 -2.5997 -2.5962 -2.5726 -2.5513 3.2900 3.2906 3.5813 3.5843 4.3108 4.3117 4.5282 4.5352 4.8054 4.8059 5.2237 5.2410 7.8482 7.8483 7.8758 7.8770 8.2657 8.2663 13.0855 13.1292 13.3283 13.3313 13.7381 13.7478 16.8981 16.9086 k = 0.5009 0.4994 0.2900 ( 2436 PWs) bands (ev): -46.2394 -46.2394 -23.9425 -23.9395 -21.9281 -21.9271 -21.8768 -21.8709 -18.9467 -18.9467 -7.8390 -7.8105 -7.4901 -7.4664 -7.3755 -7.3739 -2.8518 -2.8276 -2.6088 -2.6051 -2.5835 -2.5628 3.2908 3.2914 3.5724 3.5754 4.3265 4.3277 4.4792 4.4850 4.7741 4.7746 5.1430 5.1595 7.8932 7.8934 7.9199 7.9211 8.2670 8.2677 13.1206 13.1629 13.3703 13.3730 13.7439 13.7539 16.9310 16.9451 k = 0.5009 0.4994 0.3027 ( 2434 PWs) bands (ev): -46.2393 -46.2393 -23.9435 -23.9406 -21.9285 -21.9275 -21.8797 -21.8740 -18.9461 -18.9461 -7.8021 -7.7719 -7.4863 -7.4606 -7.3727 -7.3709 -2.8607 -2.8370 -2.6176 -2.6138 -2.5941 -2.5741 3.2916 3.2922 3.5617 3.5648 4.3329 4.3348 4.4388 4.4429 4.7444 4.7450 5.0697 5.0851 7.9360 7.9365 7.9619 7.9632 8.2683 8.2691 13.1561 13.1969 13.4125 13.4148 13.7501 13.7604 16.9556 16.9729 k = 0.5010 0.4994 0.3155 ( 2440 PWs) bands (ev): -46.2393 -46.2393 -23.9446 -23.9418 -21.9289 -21.9280 -21.8824 -21.8769 -18.9456 -18.9456 -7.7665 -7.7345 -7.4822 -7.4543 -7.3699 -7.3680 -2.8692 -2.8462 -2.6262 -2.6223 -2.6043 -2.5851 3.2924 3.2930 3.5490 3.5521 4.3173 4.3202 4.4204 4.4222 4.7164 4.7170 5.0038 5.0179 7.9766 7.9772 8.0018 8.0030 8.2696 8.2705 13.1916 13.2307 13.4546 13.4564 13.7566 13.7672 16.9735 16.9936 k = 0.5010 0.4995 0.3282 ( 2441 PWs) bands (ev): -46.2393 -46.2393 -23.9455 -23.9428 -21.9294 -21.9286 -21.8849 -21.8796 -18.9451 -18.9451 -7.7325 -7.6987 -7.4776 -7.4476 -7.3673 -7.3651 -2.8773 -2.8551 -2.6343 -2.6304 -2.6140 -2.5958 3.2932 3.2938 3.5342 3.5373 4.2802 4.2831 4.4240 4.4247 4.6901 4.6906 4.9453 4.9580 8.0149 8.0155 8.0393 8.0406 8.2709 8.2719 13.2267 13.2640 13.4962 13.4974 13.7637 13.7746 16.9862 17.0088 k = 0.5011 0.4995 0.3410 ( 2438 PWs) bands (ev): -46.2391 -46.2391 -23.9465 -23.9439 -21.9300 -21.9292 -21.8871 -21.8822 -18.9446 -18.9446 -7.7006 -7.6651 -7.4725 -7.4403 -7.3647 -7.3623 -2.8849 -2.8637 -2.6420 -2.6381 -2.6233 -2.6060 3.2940 3.2945 3.5171 3.5201 4.2363 4.2384 4.4359 4.4362 4.6656 4.6661 4.8937 4.9050 8.0507 8.0514 8.0744 8.0757 8.2722 8.2733 13.2610 13.2964 13.5368 13.5375 13.7714 13.7825 16.9951 17.0199 k = 0.5011 0.4996 0.3537 ( 2438 PWs) bands (ev): -46.2391 -46.2391 -23.9473 -23.9449 -21.9306 -21.9300 -21.8891 -21.8845 -18.9442 -18.9442 -7.6710 -7.6342 -7.4664 -7.4323 -7.3621 -7.3595 -2.8920 -2.8720 -2.6492 -2.6453 -2.6320 -2.6159 3.2947 3.2952 3.4978 3.5007 4.1925 4.1938 4.4497 4.4498 4.6428 4.6433 4.8487 4.8586 8.0839 8.0847 8.1070 8.1084 8.2734 8.2747 13.2941 13.3273 13.5761 13.5762 13.7798 13.7909 17.0013 17.0279 k = 0.5011 0.4996 0.3665 ( 2440 PWs) bands (ev): -46.2390 -46.2390 -23.9481 -23.9459 -21.9313 -21.9307 -21.8909 -21.8867 -18.9437 -18.9437 -7.6442 -7.6065 -7.4592 -7.4237 -7.3597 -7.3568 -2.8986 -2.8799 -2.6559 -2.6521 -2.6401 -2.6251 3.2954 3.2959 3.4764 3.4791 4.1516 4.1522 4.4633 4.4633 4.6219 4.6224 4.8098 4.8183 8.1144 8.1153 8.1370 8.1384 8.2746 8.2761 13.3256 13.3565 13.6131 13.6136 13.7888 13.8000 17.0058 17.0340 k = 0.5012 0.4996 0.3792 ( 2442 PWs) bands (ev): -46.2390 -46.2390 -23.9489 -23.9468 -21.9320 -21.9315 -21.8924 -21.8886 -18.9433 -18.9433 -7.6203 -7.5829 -7.4504 -7.4146 -7.3573 -7.3542 -2.9046 -2.8873 -2.6619 -2.6584 -2.6477 -2.6339 3.2960 3.2965 3.4534 3.4558 4.1147 4.1148 4.4757 4.4760 4.6028 4.6033 4.7766 4.7838 8.1423 8.1433 8.1642 8.1657 8.2758 8.2775 13.3551 13.3835 13.6477 13.6488 13.7987 13.8097 17.0093 17.0388 k = 0.5012 0.4997 0.3919 ( 2442 PWs) bands (ev): -46.2389 -46.2389 -23.9495 -23.9476 -21.9327 -21.9323 -21.8937 -21.8903 -18.9430 -18.9430 -7.5995 -7.5636 -7.4400 -7.4050 -7.3549 -7.3516 -2.9100 -2.8941 -2.6674 -2.6641 -2.6545 -2.6420 3.2966 3.2971 3.4294 3.4314 4.0822 4.0825 4.4868 4.4872 4.5857 4.5861 4.7486 4.7545 8.1673 8.1684 8.1887 8.1903 8.2771 8.2790 13.3823 13.4079 13.6795 13.6811 13.8093 13.8201 17.0125 17.0430 k = 0.5013 0.4997 0.4047 ( 2443 PWs) bands (ev): -46.2389 -46.2389 -23.9501 -23.9484 -21.9334 -21.9331 -21.8948 -21.8918 -18.9427 -18.9427 -7.5818 -7.5487 -7.4281 -7.3954 -7.3525 -7.3491 -2.9147 -2.9005 -2.6721 -2.6692 -2.6607 -2.6495 3.2972 3.2976 3.4050 3.4068 4.0545 4.0550 4.4961 4.4966 4.5704 4.5708 4.7255 4.7303 8.1895 8.1907 8.2102 8.2119 8.2785 8.2807 13.4068 13.4297 13.7080 13.7101 13.8209 13.8312 17.0157 17.0469 k = 0.5013 0.4998 0.4174 ( 2442 PWs) bands (ev): -46.2388 -46.2388 -23.9506 -23.9491 -21.9340 -21.9338 -21.8957 -21.8931 -18.9424 -18.9424 -7.5670 -7.5378 -7.4156 -7.3864 -7.3498 -7.3465 -2.9187 -2.9062 -2.6761 -2.6737 -2.6662 -2.6562 3.2977 3.2980 3.3814 3.3828 4.0315 4.0321 4.5035 4.5042 4.5571 4.5575 4.7069 4.7106 8.2088 8.2101 8.2287 8.2305 8.2802 8.2827 13.4286 13.4485 13.7328 13.7352 13.8330 13.8425 17.0192 17.0506 k = 0.5013 0.4998 0.4302 ( 2450 PWs) bands (ev): -46.2389 -46.2389 -23.9510 -23.9497 -21.9346 -21.9345 -21.8964 -21.8942 -18.9421 -18.9421 -7.5549 -7.5302 -7.4033 -7.3785 -7.3468 -7.3438 -2.9220 -2.9114 -2.6794 -2.6775 -2.6709 -2.6623 3.2981 3.2984 3.3593 3.3604 4.0129 4.0135 4.5091 4.5099 4.5458 4.5461 4.6924 4.6952 8.2251 8.2264 8.2439 8.2458 8.2824 8.2851 13.4473 13.4642 13.7537 13.7561 13.8454 13.8539 17.0229 17.0538 k = 0.5014 0.4998 0.4429 ( 2447 PWs) bands (ev): -46.2388 -46.2388 -23.9513 -23.9503 -21.9352 -21.9351 -21.8969 -21.8951 -18.9419 -18.9419 -7.5451 -7.5252 -7.3922 -7.3724 -7.3433 -7.3411 -2.9246 -2.9158 -2.6820 -2.6806 -2.6749 -2.6675 3.2985 3.2987 3.3397 3.3405 3.9982 3.9988 4.5130 4.5137 4.5365 4.5367 4.6816 4.6837 8.2383 8.2397 8.2557 8.2574 8.2855 8.2882 13.4631 13.4768 13.7707 13.7729 13.8576 13.8646 17.0268 17.0559 k = 0.5014 0.4999 0.4557 ( 2443 PWs) bands (ev): -46.2387 -46.2387 -23.9515 -23.9507 -21.9356 -21.9356 -21.8972 -21.8959 -18.9417 -18.9417 -7.5373 -7.5222 -7.3829 -7.3683 -7.3396 -7.3383 -2.9264 -2.9196 -2.6839 -2.6831 -2.6779 -2.6720 3.2988 3.2990 3.3233 3.3239 3.9872 3.9876 4.5153 4.5160 4.5292 4.5293 4.6740 4.6754 8.2483 8.2498 8.2644 8.2655 8.2895 8.2918 13.4758 13.4864 13.7839 13.7856 13.8685 13.8741 17.0304 17.0554 k = 0.5014 0.4999 0.4684 ( 2440 PWs) bands (ev): -46.2387 -46.2387 -23.9517 -23.9511 -21.9360 -21.9360 -21.8974 -21.8964 -18.9416 -18.9416 -7.5313 -7.5208 -7.3758 -7.3661 -7.3363 -7.3358 -2.9275 -2.9226 -2.6851 -2.6848 -2.6800 -2.6756 3.2990 3.2992 3.3109 3.3113 3.9794 3.9797 4.5165 4.5170 4.5241 4.5241 4.6689 4.6698 8.2552 8.2565 8.2702 8.2707 8.2938 8.2954 13.4855 13.4929 13.7935 13.7946 13.8776 13.8815 17.0331 17.0513 k = 0.5015 0.4999 0.4811 ( 2440 PWs) bands (ev): -46.2387 -46.2387 -23.9517 -23.9514 -21.9362 -21.9362 -21.8974 -21.8969 -18.9415 -18.9415 -7.5268 -7.5208 -7.3709 -7.3655 -7.3339 -7.3338 -2.9278 -2.9250 -2.6859 -2.6859 -2.6810 -2.6783 3.2992 3.2993 3.3028 3.3030 3.9745 3.9747 4.5167 4.5169 4.5213 4.5213 4.6660 4.6665 8.2593 8.2602 8.2737 8.2739 8.2972 8.2981 13.4922 13.4964 13.7996 13.8001 13.8839 13.8862 17.0354 17.0456 k = 0.5015 0.5000 0.4939 ( 2440 PWs) bands (ev): -46.2386 -46.2386 -23.9517 -23.9516 -21.9363 -21.9363 -21.8973 -21.8972 -18.9415 -18.9415 -7.5236 -7.5221 -7.3677 -7.3664 -7.3329 -7.3329 -2.9273 -2.9266 -2.6863 -2.6863 -2.6808 -2.6801 3.2991 3.2991 3.2996 3.2996 3.9725 3.9726 4.5164 4.5164 4.5205 4.5205 4.6648 4.6649 8.2611 8.2614 8.2752 8.2752 8.2990 8.2992 13.4959 13.4970 13.8023 13.8023 13.8872 13.8878 17.0381 17.0408 k = 0.5015 0.5000 0.4939 ( 2440 PWs) bands (ev): -46.2386 -46.2386 -23.9517 -23.9516 -21.9363 -21.9363 -21.8973 -21.8972 -18.9415 -18.9415 -7.5236 -7.5221 -7.3677 -7.3664 -7.3329 -7.3329 -2.9273 -2.9266 -2.6863 -2.6863 -2.6808 -2.6801 3.2991 3.2991 3.2996 3.2996 3.9725 3.9726 4.5164 4.5164 4.5205 4.5205 4.6648 4.6649 8.2611 8.2614 8.2752 8.2752 8.2990 8.2992 13.4959 13.4970 13.8023 13.8023 13.8872 13.8878 17.0381 17.0408 k = 0.5000 0.4985 0.4969 ( 2440 PWs) bands (ev): -46.2386 -46.2386 -23.9516 -23.9516 -21.9363 -21.9363 -21.8973 -21.8973 -18.9415 -18.9415 -7.5228 -7.5228 -7.3670 -7.3670 -7.3328 -7.3328 -2.9270 -2.9270 -2.6863 -2.6863 -2.6805 -2.6805 3.2991 3.2991 3.2995 3.2995 3.9724 3.9724 4.5164 4.5164 4.5205 4.5205 4.6647 4.6647 8.2613 8.2613 8.2753 8.2753 8.2992 8.2992 13.4966 13.4966 13.8025 13.8025 13.8876 13.8876 17.0394 17.0394 k = 0.5000-0.0015-0.0015 ( 2426 PWs) bands (ev): -46.2430 -46.2430 -23.8934 -23.8934 -21.8827 -21.8827 -21.7727 -21.7727 -18.9650 -18.9650 -8.7097 -8.7097 -8.2580 -8.2580 -7.4212 -7.4212 -2.6484 -2.6484 -2.4138 -2.4138 -2.3402 -2.3402 3.3993 3.3993 5.5798 5.5798 5.6469 5.6469 6.3041 6.3041 6.3673 6.3673 6.4340 6.4340 6.7801 6.7801 6.9764 6.9764 7.3579 7.3579 10.9189 10.9189 12.6725 12.6725 12.9014 12.9014 14.2095 14.2095 k = 0.5001 0.0074 0.0073 ( 2425 PWs) bands (ev): -46.2430 -46.2430 -23.8936 -23.8934 -21.8828 -21.8826 -21.7728 -21.7728 -18.9650 -18.9650 -8.7092 -8.7086 -8.2574 -8.2574 -7.4214 -7.4212 -2.6485 -2.6484 -2.4138 -2.4138 -2.3404 -2.3404 3.3992 3.3994 5.5762 5.5771 5.6404 5.6422 6.2940 6.3118 6.3641 6.3703 6.4333 6.4406 6.7830 6.7833 6.9746 6.9749 7.3560 7.3561 10.9215 10.9216 12.6719 12.6735 12.8994 12.9033 14.2130 14.2161 k = 0.5001 0.0163 0.0162 ( 2431 PWs) bands (ev): -46.2431 -46.2431 -23.8938 -23.8934 -21.8830 -21.8826 -21.7732 -21.7731 -18.9649 -18.9649 -8.7068 -8.7056 -8.2556 -8.2556 -7.4217 -7.4213 -2.6487 -2.6485 -2.4138 -2.4138 -2.3410 -2.3408 3.3991 3.3993 5.5661 5.5682 5.6235 5.6265 6.2829 6.3131 6.3621 6.3703 6.4408 6.4542 6.7920 6.7924 6.9694 6.9702 7.3506 7.3508 10.9295 10.9296 12.6717 12.6749 12.8974 12.9051 14.2266 14.2328 k = 0.5002 0.0252 0.0251 ( 2434 PWs) bands (ev): -46.2431 -46.2431 -23.8941 -23.8936 -21.8833 -21.8826 -21.7738 -21.7736 -18.9649 -18.9648 -8.7027 -8.7009 -8.2526 -8.2526 -7.4222 -7.4216 -2.6489 -2.6487 -2.4138 -2.4138 -2.3420 -2.3417 3.3989 3.3993 5.5492 5.5530 5.5986 5.6015 6.2699 6.3053 6.3584 6.3658 6.4602 6.4761 6.8065 6.8071 6.9609 6.9621 7.3420 7.3422 10.9428 10.9428 12.6719 12.6767 12.8955 12.9068 14.2502 14.2592 k = 0.5002 0.0341 0.0340 ( 2444 PWs) bands (ev): -46.2432 -46.2432 -23.8945 -23.8938 -21.8837 -21.8828 -21.7746 -21.7744 -18.9648 -18.9647 -8.6968 -8.6945 -8.2484 -8.2484 -7.4228 -7.4221 -2.6494 -2.6490 -2.4139 -2.4138 -2.3433 -2.3429 3.3987 3.3992 5.5243 5.5311 5.5689 5.5701 6.2534 6.2894 6.3506 6.3568 6.4909 6.5058 6.8262 6.8268 6.9490 6.9507 7.3305 7.3309 10.9613 10.9613 12.6726 12.6789 12.8939 12.9085 14.2835 14.2951 k = 0.5003 0.0430 0.0428 ( 2450 PWs) bands (ev): -46.2433 -46.2433 -23.8950 -23.8941 -21.8841 -21.8830 -21.7756 -21.7753 -18.9647 -18.9646 -8.6892 -8.6863 -8.2430 -8.2430 -7.4236 -7.4227 -2.6499 -2.6494 -2.4140 -2.4139 -2.3449 -2.3443 3.3984 3.3990 5.4908 5.5009 5.5362 5.5376 6.2321 6.2666 6.3394 6.3444 6.5297 6.5417 6.8502 6.8506 6.9337 6.9362 7.3170 7.3175 10.9848 10.9849 12.6739 12.6816 12.8928 12.9104 14.3261 14.3400 k = 0.5003 0.0519 0.0517 ( 2450 PWs) bands (ev): -46.2432 -46.2432 -23.8956 -23.8945 -21.8845 -21.8832 -21.7768 -21.7765 -18.9645 -18.9645 -8.6799 -8.6764 -8.2364 -8.2364 -7.4245 -7.4234 -2.6506 -2.6500 -2.4141 -2.4140 -2.3469 -2.3461 3.3981 3.3988 5.4496 5.4616 5.5028 5.5058 6.2056 6.2376 6.3253 6.3292 6.5733 6.5817 6.8774 6.8775 6.9154 6.9191 7.3022 7.3029 11.0132 11.0134 12.6758 12.6848 12.8924 12.9126 14.3775 14.3935 k = 0.5004 0.0608 0.0606 ( 2452 PWs) bands (ev): -46.2432 -46.2432 -23.8963 -23.8950 -21.8851 -21.8835 -21.7783 -21.7779 -18.9643 -18.9643 -8.6689 -8.6649 -8.2287 -8.2286 -7.4255 -7.4242 -2.6515 -2.6507 -2.4144 -2.4142 -2.3492 -2.3482 3.3978 3.3986 5.4030 5.4157 5.4694 5.4730 6.1738 6.2033 6.3082 6.3110 6.6191 6.6237 6.8913 6.8936 6.9104 6.9129 7.2873 7.2882 11.0464 11.0467 12.6784 12.6886 12.8929 12.9154 14.4373 14.4549 k = 0.5004 0.0697 0.0695 ( 2458 PWs) bands (ev): -46.2433 -46.2433 -23.8970 -23.8956 -21.8856 -21.8839 -21.7799 -21.7795 -18.9641 -18.9641 -8.6563 -8.6516 -8.2198 -8.2197 -7.4266 -7.4251 -2.6527 -2.6517 -2.4148 -2.4145 -2.3517 -2.3504 3.3974 3.3984 5.3533 5.3659 5.4348 5.4387 6.1372 6.1642 6.2878 6.2898 6.6646 6.6647 6.8694 6.8756 6.9413 6.9419 7.2735 7.2747 11.0841 11.0846 12.6818 12.6931 12.8944 12.9189 14.5047 14.5238 k = 0.5005 0.0786 0.0783 ( 2460 PWs) bands (ev): -46.2432 -46.2432 -23.8978 -23.8963 -21.8863 -21.8844 -21.7818 -21.7812 -18.9639 -18.9638 -8.6420 -8.6367 -8.2098 -8.2097 -7.4278 -7.4261 -2.6541 -2.6529 -2.4153 -2.4149 -2.3546 -2.3529 3.3970 3.3981 5.3017 5.3140 5.3986 5.4026 6.0962 6.1211 6.2634 6.2647 6.6985 6.7042 6.8494 6.8597 6.9740 6.9741 7.2624 7.2639 11.1261 11.1267 12.6860 12.6983 12.8972 12.9232 14.5793 14.5995 k = 0.5005 0.0875 0.0872 ( 2461 PWs) bands (ev): -46.2432 -46.2432 -23.8987 -23.8970 -21.8870 -21.8849 -21.7838 -21.7832 -18.9636 -18.9635 -8.6260 -8.6202 -8.1987 -8.1986 -7.4291 -7.4272 -2.6558 -2.6544 -2.4162 -2.4155 -2.3577 -2.3555 3.3966 3.3978 5.2491 5.2611 5.3608 5.3650 6.0514 6.0746 6.2344 6.2353 6.7129 6.7236 6.8460 6.8599 7.0056 7.0063 7.2556 7.2576 11.1721 11.1730 12.6912 12.7043 12.9012 12.9285 14.6605 14.6815 k = 0.5006 0.0964 0.0961 ( 2462 PWs) bands (ev): -46.2431 -46.2431 -23.8997 -23.8978 -21.8877 -21.8855 -21.7860 -21.7853 -18.9633 -18.9632 -8.6086 -8.6021 -8.1866 -8.1864 -7.4304 -7.4283 -2.6579 -2.6562 -2.4173 -2.4164 -2.3609 -2.3583 3.3962 3.3975 5.1962 5.2079 5.3217 5.3261 6.0035 6.0252 6.2005 6.2011 6.6993 6.7097 6.8719 6.8842 7.0352 7.0365 7.2552 7.2577 11.2219 11.2230 12.6975 12.7112 12.9067 12.9350 14.7476 14.7693 k = 0.5007 0.1053 0.1050 ( 2464 PWs) bands (ev): -46.2431 -46.2431 -23.9007 -23.8987 -21.8885 -21.8861 -21.7884 -21.7877 -18.9630 -18.9629 -8.5896 -8.5826 -8.1733 -8.1732 -7.4318 -7.4294 -2.6603 -2.6583 -2.4189 -2.4176 -2.3643 -2.3611 3.3957 3.3971 5.1435 5.1548 5.2815 5.2860 5.9529 5.9734 6.1611 6.1618 6.6664 6.6749 6.9147 6.9239 7.0614 7.0632 7.2629 7.2658 11.2752 11.2766 12.7048 12.7191 12.9136 12.9427 14.8400 14.8621 k = 0.5007 0.1142 0.1138 ( 2466 PWs) bands (ev): -46.2430 -46.2430 -23.9018 -23.8997 -21.8894 -21.8868 -21.7910 -21.7902 -18.9627 -18.9626 -8.5691 -8.5615 -8.1591 -8.1589 -7.4332 -7.4306 -2.6630 -2.6608 -2.4209 -2.4192 -2.3679 -2.3639 3.3953 3.3968 5.0914 5.1023 5.2402 5.2450 5.9002 5.9196 6.1164 6.1172 6.6231 6.6303 6.9630 6.9697 7.0835 7.0857 7.2796 7.2827 11.3317 11.3334 12.7133 12.7280 12.9221 12.9517 14.9372 14.9596 k = 0.5008 0.1231 0.1227 ( 2464 PWs) bands (ev): -46.2429 -46.2429 -23.9030 -23.9008 -21.8903 -21.8875 -21.7937 -21.7928 -18.9623 -18.9622 -8.5472 -8.5390 -8.1439 -8.1436 -7.4345 -7.4317 -2.6662 -2.6637 -2.4235 -2.4213 -2.3715 -2.3666 3.3949 3.3965 5.0401 5.0507 5.1982 5.2033 5.8456 5.8643 6.0665 6.0674 6.5734 6.5797 7.0130 7.0179 7.1024 7.1047 7.3045 7.3076 11.3911 11.3932 12.7230 12.7380 12.9321 12.9621 15.0387 15.0613 k = 0.5008 0.1320 0.1316 ( 2460 PWs) bands (ev): -46.2428 -46.2428 -23.9042 -23.9019 -21.8912 -21.8883 -21.7965 -21.7956 -18.9619 -18.9617 -8.5239 -8.5151 -8.1278 -8.1274 -7.4359 -7.4328 -2.6698 -2.6669 -2.4267 -2.4240 -2.3751 -2.3693 3.3945 3.3962 4.9901 5.0003 5.1555 5.1609 5.7897 5.8076 6.0115 6.0127 6.5187 6.5245 7.0631 7.0665 7.1200 7.1220 7.3359 7.3389 11.4530 11.4556 12.7340 12.7492 12.9437 12.9739 15.1438 15.1664 k = 0.5009 0.1409 0.1405 ( 2456 PWs) bands (ev): -46.2426 -46.2426 -23.9055 -23.9030 -21.8922 -21.8892 -21.7995 -21.7985 -18.9614 -18.9613 -8.4993 -8.4899 -8.1107 -8.1103 -7.4372 -7.4338 -2.6737 -2.6705 -2.4306 -2.4273 -2.3787 -2.3720 3.3941 3.3959 4.9414 4.9513 5.1122 5.1180 5.7327 5.7500 5.9522 5.9537 6.4601 6.4655 7.1120 7.1133 7.1393 7.1402 7.3717 7.3744 11.5173 11.5205 12.7464 12.7616 12.9569 12.9871 15.2521 15.2747 k = 0.5009 0.1498 0.1493 ( 2458 PWs) bands (ev): -46.2425 -46.2425 -23.9068 -23.9043 -21.8932 -21.8901 -21.8026 -21.8015 -18.9610 -18.9609 -8.4734 -8.4635 -8.0928 -8.0923 -7.4384 -7.4348 -2.6782 -2.6746 -2.4351 -2.4312 -2.3823 -2.3748 3.3938 3.3956 4.8944 4.9039 5.0684 5.0746 5.6750 5.6917 5.8889 5.8909 6.3982 6.4033 7.1479 7.1502 7.1695 7.1717 7.4102 7.4127 11.5836 11.5873 12.7602 12.7753 12.9717 13.0018 15.3630 15.3854 k = 0.5010 0.1587 0.1582 ( 2456 PWs) bands (ev): -46.2424 -46.2424 -23.9082 -23.9056 -21.8942 -21.8911 -21.8059 -21.8047 -18.9605 -18.9604 -8.4464 -8.4358 -8.0741 -8.0735 -7.4395 -7.4356 -2.6830 -2.6790 -2.4402 -2.4359 -2.3860 -2.3776 3.3934 3.3953 4.8490 4.8583 5.0241 5.0307 5.6167 5.6330 5.8225 5.8250 6.3333 6.3383 7.1704 7.1729 7.2155 7.2174 7.4503 7.4525 11.6516 11.6559 12.7753 12.7902 12.9880 13.0179 15.4761 15.4982 k = 0.5010 0.1676 0.1671 ( 2459 PWs) bands (ev): -46.2423 -46.2423 -23.9097 -23.9069 -21.8953 -21.8921 -21.8092 -21.8080 -18.9600 -18.9599 -8.4182 -8.4070 -8.0546 -8.0539 -7.4406 -7.4364 -2.6882 -2.6838 -2.4460 -2.4412 -2.3899 -2.3806 3.3931 3.3951 4.8056 4.8146 4.9792 4.9862 5.5582 5.5740 5.7536 5.7566 6.2660 6.2709 7.1930 7.1953 7.2632 7.2644 7.4911 7.4931 11.7211 11.7261 12.7919 12.8064 13.0058 13.0354 15.5907 15.6125 k = 0.5011 0.1765 0.1759 ( 2460 PWs) bands (ev): -46.2422 -46.2422 -23.9111 -23.9083 -21.8964 -21.8932 -21.8126 -21.8113 -18.9595 -18.9593 -8.3890 -8.3772 -8.0343 -8.0336 -7.4415 -7.4369 -2.6938 -2.6890 -2.4523 -2.4471 -2.3939 -2.3838 3.3928 3.3948 4.7641 4.7729 4.9337 4.9412 5.4996 5.5150 5.6830 5.6864 6.1967 6.2015 7.2174 7.2195 7.3103 7.3111 7.5322 7.5339 11.7917 11.7974 12.8099 12.8239 13.0250 13.0544 15.7064 15.7278 k = 0.5011 0.1854 0.1848 ( 2456 PWs) bands (ev): -46.2421 -46.2421 -23.9126 -23.9097 -21.8976 -21.8943 -21.8161 -21.8147 -18.9589 -18.9588 -8.3589 -8.3464 -8.0134 -8.0125 -7.4422 -7.4374 -2.6998 -2.6945 -2.4591 -2.4535 -2.3983 -2.3873 3.3925 3.3946 4.7247 4.7333 4.8874 4.8954 5.4411 5.4563 5.6113 5.6153 6.1257 6.1305 7.2438 7.2457 7.3566 7.3570 7.5732 7.5747 11.8633 11.8699 12.8293 12.8427 13.0457 13.0747 15.8227 15.8437 k = 0.5012 0.1943 0.1937 ( 2454 PWs) bands (ev): -46.2419 -46.2419 -23.9142 -23.9112 -21.8988 -21.8955 -21.8197 -21.8182 -18.9583 -18.9582 -8.3278 -8.3148 -7.9919 -7.9909 -7.4428 -7.4376 -2.7061 -2.7004 -2.4663 -2.4604 -2.4030 -2.3913 3.3923 3.3944 4.6874 4.6958 4.8402 4.8488 5.3830 5.3979 5.5393 5.5439 6.0535 6.0582 7.2723 7.2740 7.4019 7.4020 7.6137 7.6150 11.9356 11.9430 12.8501 12.8628 13.0678 13.0963 15.9391 15.9596 k = 0.5013 0.2032 0.2026 ( 2456 PWs) bands (ev): -46.2418 -46.2418 -23.9158 -23.9127 -21.9000 -21.8967 -21.8233 -21.8218 -18.9577 -18.9576 -8.2960 -8.2823 -7.9698 -7.9687 -7.4432 -7.4376 -2.7128 -2.7067 -2.4739 -2.4678 -2.4082 -2.3958 3.3921 3.3942 4.6523 4.6605 4.7920 4.8011 5.3253 5.3399 5.4678 5.4729 5.9804 5.9851 7.3026 7.3042 7.4460 7.4462 7.6535 7.6547 12.0084 12.0167 12.8723 12.8842 13.0912 13.1192 16.0549 16.0749 k = 0.5013 0.2121 0.2114 ( 2454 PWs) bands (ev): -46.2417 -46.2417 -23.9174 -23.9143 -21.9012 -21.8979 -21.8270 -21.8254 -18.9571 -18.9570 -8.2635 -8.2491 -7.9473 -7.9459 -7.4434 -7.4375 -2.7198 -2.7132 -2.4819 -2.4756 -2.4139 -2.4008 3.3918 3.3939 4.6192 4.6274 4.7426 4.7523 5.2683 5.2827 5.3973 5.4030 5.9067 5.9114 7.3347 7.3362 7.4891 7.4895 7.6926 7.6935 12.0814 12.0907 12.8958 12.9069 13.1158 13.1432 16.1696 16.1890 k = 0.5014 0.2210 0.2203 ( 2446 PWs) bands (ev): -46.2414 -46.2414 -23.9189 -23.9158 -21.9024 -21.8992 -21.8307 -21.8289 -18.9565 -18.9564 -8.2304 -8.2153 -7.9242 -7.9227 -7.4434 -7.4371 -2.7271 -2.7200 -2.4901 -2.4837 -2.4201 -2.4064 3.3915 3.3937 4.5882 4.5965 4.6917 4.7020 5.2120 5.2262 5.3285 5.3348 5.8329 5.8375 7.3683 7.3697 7.5312 7.5317 7.7307 7.7315 12.1544 12.1648 12.9207 12.9307 13.1416 13.1685 16.2826 16.3014 k = 0.5014 0.2299 0.2292 ( 2448 PWs) bands (ev): -46.2413 -46.2413 -23.9206 -23.9174 -21.9037 -21.9005 -21.8344 -21.8326 -18.9559 -18.9558 -8.1968 -8.1810 -7.9009 -7.8991 -7.4432 -7.4365 -2.7346 -2.7271 -2.4987 -2.4920 -2.4270 -2.4127 3.3912 3.3934 4.5591 4.5675 4.6393 4.6503 5.1567 5.1707 5.2621 5.2688 5.7593 5.7638 7.4034 7.4047 7.5722 7.5729 7.7677 7.7683 12.2271 12.2387 12.9469 12.9558 13.1684 13.1947 16.3932 16.4114 k = 0.5015 0.2388 0.2381 ( 2446 PWs) bands (ev): -46.2412 -46.2412 -23.9222 -23.9191 -21.9050 -21.9018 -21.8381 -21.8362 -18.9552 -18.9551 -8.1628 -8.1463 -7.8772 -7.8751 -7.4427 -7.4356 -2.7425 -2.7344 -2.5074 -2.5006 -2.4345 -2.4196 3.3909 3.3930 4.5313 4.5402 4.5856 4.5974 5.1024 5.1163 5.1985 5.2057 5.6863 5.6907 7.4397 7.4408 7.6122 7.6130 7.8036 7.8041 12.2995 12.3123 12.9744 12.9820 13.1962 13.2219 16.5007 16.5182 k = 0.5015 0.2477 0.2469 ( 2442 PWs) bands (ev): -46.2410 -46.2410 -23.9238 -23.9207 -21.9063 -21.9032 -21.8418 -21.8398 -18.9546 -18.9545 -8.1285 -8.1113 -7.8532 -7.8508 -7.4420 -7.4345 -2.7505 -2.7419 -2.5162 -2.5094 -2.4427 -2.4272 3.3905 3.3925 4.5029 4.5117 4.5330 4.5451 5.0493 5.0631 5.1382 5.1457 5.6141 5.6184 7.4770 7.4780 7.6513 7.6521 7.8382 7.8386 12.3713 12.3854 13.0030 13.0093 13.2248 13.2499 16.6044 16.6211 k = 0.5016 0.2566 0.2558 ( 2443 PWs) bands (ev): -46.2409 -46.2409 -23.9254 -23.9223 -21.9076 -21.9046 -21.8455 -21.8433 -18.9539 -18.9538 -8.0941 -8.0761 -7.8291 -7.8264 -7.4411 -7.4331 -2.7587 -2.7497 -2.5252 -2.5184 -2.4514 -2.4354 3.3899 3.3919 4.4657 4.4658 4.4980 4.5013 4.9976 5.0112 5.0814 5.0891 5.5431 5.5473 7.5152 7.5161 7.6893 7.6902 7.8716 7.8719 12.4422 12.4577 13.0328 13.0376 13.2543 13.2786 16.7032 16.7191 k = 0.5016 0.2655 0.2647 ( 2445 PWs) bands (ev): -46.2408 -46.2408 -23.9271 -23.9239 -21.9089 -21.9061 -21.8491 -21.8468 -18.9532 -18.9532 -8.0597 -8.0408 -7.8049 -7.8018 -7.4399 -7.4314 -2.7671 -2.7576 -2.5343 -2.5274 -2.4608 -2.4442 3.3893 3.3912 4.4074 4.4130 4.4730 4.4751 4.9474 4.9608 5.0284 5.0362 5.4737 5.4778 7.5541 7.5550 7.7263 7.7272 7.9038 7.9039 12.5121 12.5291 13.0637 13.0669 13.2843 13.3080 16.7963 16.8113 k = 0.5017 0.2744 0.2736 ( 2437 PWs) bands (ev): -46.2405 -46.2405 -23.9287 -23.9256 -21.9102 -21.9075 -21.8526 -21.8503 -18.9526 -18.9525 -8.0253 -8.0056 -7.7806 -7.7771 -7.4384 -7.4295 -2.7757 -2.7656 -2.5435 -2.5365 -2.4708 -2.4537 3.3884 3.3903 4.3465 4.3535 4.4510 4.4547 4.8988 4.9121 4.9793 4.9870 5.4061 5.4101 7.5935 7.5943 7.7623 7.7632 7.9345 7.9346 12.5808 12.5993 13.0957 13.0972 13.3149 13.3379 16.8826 16.8967 k = 0.5017 0.2833 0.2824 ( 2435 PWs) bands (ev): -46.2404 -46.2404 -23.9302 -23.9272 -21.9116 -21.9090 -21.8561 -21.8537 -18.9519 -18.9518 -7.9911 -7.9705 -7.7564 -7.7524 -7.4367 -7.4273 -2.7843 -2.7738 -2.5526 -2.5457 -2.4812 -2.4637 3.3874 3.3891 4.2841 4.2916 4.4313 4.4355 4.8522 4.8652 4.9340 4.9415 5.3407 5.3446 7.6333 7.6340 7.7972 7.7982 7.9639 7.9640 12.6481 12.6682 13.1284 13.1287 13.3459 13.3682 16.9611 16.9742 k = 0.5018 0.2922 0.2913 ( 2435 PWs) bands (ev): -46.2402 -46.2402 -23.9318 -23.9288 -21.9129 -21.9106 -21.8595 -21.8570 -18.9512 -18.9512 -7.9573 -7.9358 -7.7323 -7.7277 -7.4347 -7.4248 -2.7931 -2.7821 -2.5617 -2.5548 -2.4922 -2.4742 3.3862 3.3878 4.2209 4.2284 4.4127 4.4170 4.8078 4.8204 4.8923 4.8996 5.2777 5.2814 7.6734 7.6739 7.8312 7.8322 7.9919 7.9921 12.7138 12.7355 13.1605 13.1626 13.3771 13.3987 17.0307 17.0428 k = 0.5019 0.3011 0.3002 ( 2432 PWs) bands (ev): -46.2401 -46.2401 -23.9333 -23.9304 -21.9143 -21.9121 -21.8628 -21.8602 -18.9505 -18.9505 -7.9240 -7.9015 -7.7083 -7.7032 -7.4324 -7.4221 -2.8019 -2.7904 -2.5707 -2.5639 -2.5035 -2.4852 3.3847 3.3861 4.1573 4.1647 4.3943 4.3986 4.7661 4.7782 4.8540 4.8609 5.2173 5.2209 7.7134 7.7139 7.8642 7.8652 8.0185 8.0188 12.7777 12.8009 13.1934 13.1974 13.4085 13.4293 17.0905 17.1016 k = 0.5019 0.3100 0.3091 ( 2428 PWs) bands (ev): -46.2399 -46.2399 -23.9348 -23.9319 -21.9157 -21.9136 -21.8660 -21.8633 -18.9499 -18.9498 -7.8913 -7.8679 -7.6846 -7.6788 -7.4298 -7.4191 -2.8107 -2.7988 -2.5796 -2.5729 -2.5152 -2.4965 3.3829 3.3842 4.0938 4.1009 4.3757 4.3798 4.7275 4.7389 4.8189 4.8254 5.1598 5.1632 7.7533 7.7537 7.8962 7.8971 8.0438 8.0441 12.8395 12.8643 13.2272 13.2330 13.4398 13.4600 17.1398 17.1501 k = 0.5020 0.3189 0.3179 ( 2426 PWs) bands (ev): -46.2398 -46.2398 -23.9363 -23.9334 -21.9170 -21.9152 -21.8691 -21.8663 -18.9492 -18.9492 -7.8594 -7.8350 -7.6612 -7.6547 -7.4269 -7.4158 -2.8195 -2.8072 -2.5883 -2.5817 -2.5271 -2.5082 3.3807 3.3819 4.0308 4.0375 4.3563 4.3600 4.6926 4.7032 4.7866 4.7927 5.1052 5.1085 7.7929 7.7932 7.9272 7.9281 8.0677 8.0681 12.8990 12.9253 13.2618 13.2695 13.4711 13.4905 17.1784 17.1880 k = 0.5020 0.3278 0.3268 ( 2430 PWs) bands (ev): -46.2397 -46.2397 -23.9377 -23.9349 -21.9184 -21.9167 -21.8720 -21.8692 -18.9486 -18.9485 -7.8284 -7.8030 -7.6382 -7.6309 -7.4238 -7.4123 -2.8282 -2.8156 -2.5969 -2.5905 -2.5392 -2.5201 3.3782 3.3792 3.9687 3.9751 4.3354 4.3386 4.6618 4.6716 4.7570 4.7627 5.0538 5.0570 7.8320 7.8322 7.9571 7.9580 8.0903 8.0908 12.9560 12.9837 13.2972 13.3066 13.5020 13.5206 17.2063 17.2156 k = 0.5021 0.3367 0.3357 ( 2428 PWs) bands (ev): -46.2395 -46.2395 -23.9391 -23.9364 -21.9198 -21.9183 -21.8748 -21.8719 -18.9479 -18.9479 -7.7985 -7.7722 -7.6157 -7.6075 -7.4203 -7.4085 -2.8368 -2.8239 -2.6052 -2.5990 -2.5513 -2.5321 3.3753 3.3762 3.9079 3.9139 4.3128 4.3154 4.6356 4.6442 4.7298 4.7350 5.0056 5.0087 7.8705 7.8705 7.9860 7.9868 8.1116 8.1121 13.0104 13.0391 13.3334 13.3443 13.5326 13.5504 17.2242 17.2335 k = 0.5021 0.3456 0.3446 ( 2429 PWs) bands (ev): -46.2395 -46.2395 -23.9404 -23.9378 -21.9211 -21.9198 -21.8774 -21.8746 -18.9473 -18.9473 -7.7697 -7.7425 -7.5936 -7.5846 -7.4165 -7.4045 -2.8454 -2.8323 -2.6132 -2.6073 -2.5633 -2.5442 3.3720 3.3727 3.8487 3.8543 4.2884 4.2903 4.6138 4.6214 4.7048 4.7096 4.9607 4.9636 7.9080 7.9081 8.0137 8.0145 8.1315 8.1322 13.0620 13.0915 13.3704 13.3824 13.5626 13.5797 17.2331 17.2428 k = 0.5022 0.3545 0.3534 ( 2432 PWs) bands (ev): -46.2394 -46.2394 -23.9416 -23.9392 -21.9225 -21.9214 -21.8799 -21.8770 -18.9467 -18.9467 -7.7423 -7.7144 -7.5721 -7.5622 -7.4123 -7.4002 -2.8537 -2.8405 -2.6210 -2.6153 -2.5753 -2.5563 3.3683 3.3688 3.7915 3.7967 4.2623 4.2636 4.5963 4.6028 4.6818 4.6862 4.9192 4.9220 7.9445 7.9447 8.0404 8.0411 8.1502 8.1509 13.1107 13.1405 13.4079 13.4207 13.5919 13.6082 17.2340 17.2447 k = 0.5022 0.3634 0.3623 ( 2431 PWs) bands (ev): -46.2393 -46.2393 -23.9429 -23.9405 -21.9238 -21.9229 -21.8822 -21.8794 -18.9462 -18.9461 -7.7164 -7.6878 -7.5513 -7.5404 -7.4078 -7.3958 -2.8618 -2.8485 -2.6284 -2.6230 -2.5870 -2.5682 3.3642 3.3645 3.7365 3.7413 4.2350 4.2356 4.5826 4.5880 4.6607 4.6647 4.8810 4.8837 7.9798 7.9802 8.0659 8.0666 8.1676 8.1684 13.1565 13.1861 13.4459 13.4591 13.6205 13.6360 17.2284 17.2406 k = 0.5023 0.3723 0.3712 ( 2430 PWs) bands (ev): -46.2392 -46.2392 -23.9440 -23.9417 -21.9251 -21.9244 -21.8844 -21.8815 -18.9456 -18.9456 -7.6919 -7.6630 -7.5311 -7.5193 -7.4029 -7.3911 -2.8697 -2.8565 -2.6355 -2.6304 -2.5983 -2.5799 3.3597 3.3598 3.6839 3.6883 4.2070 4.2071 4.5721 4.5765 4.6414 4.6450 4.8461 4.8487 8.0138 8.0143 8.0901 8.0909 8.1838 8.1847 13.1992 13.2282 13.4839 13.4972 13.6483 13.6630 17.2174 17.2318 k = 0.5023 0.3812 0.3800 ( 2432 PWs) bands (ev): -46.2391 -46.2391 -23.9451 -23.9429 -21.9264 -21.9258 -21.8864 -21.8836 -18.9451 -18.9451 -7.6692 -7.6401 -7.5117 -7.4991 -7.3977 -7.3863 -2.8773 -2.8642 -2.6422 -2.6374 -2.6092 -2.5913 3.3548 3.3548 3.6341 3.6381 4.1787 4.1789 4.5640 4.5676 4.6237 4.6270 4.8146 4.8171 8.0463 8.0470 8.1131 8.1139 8.1988 8.1998 13.2389 13.2669 13.5217 13.5345 13.6750 13.6889 17.2023 17.2193 k = 0.5024 0.3901 0.3889 ( 2435 PWs) bands (ev): -46.2391 -46.2391 -23.9461 -23.9441 -21.9277 -21.9272 -21.8882 -21.8855 -18.9446 -18.9446 -7.6481 -7.6193 -7.4931 -7.4798 -7.3921 -7.3814 -2.8845 -2.8717 -2.6485 -2.6441 -2.6196 -2.6024 3.3494 3.3495 3.5871 3.5908 4.1509 4.1514 4.5578 4.5606 4.6076 4.6106 4.7865 4.7889 8.0770 8.0779 8.1348 8.1356 8.2126 8.2137 13.2756 13.3022 13.5587 13.5708 13.7007 13.7137 17.1845 17.2043 k = 0.5025 0.3990 0.3978 ( 2433 PWs) bands (ev): -46.2390 -46.2390 -23.9470 -23.9451 -21.9289 -21.9285 -21.8898 -21.8872 -18.9441 -18.9441 -7.6288 -7.6006 -7.4755 -7.4615 -7.3861 -7.3764 -2.8913 -2.8789 -2.6544 -2.6504 -2.6293 -2.6129 3.3438 3.3441 3.5432 3.5465 4.1242 4.1249 4.5528 4.5550 4.5930 4.5957 4.7617 4.7640 8.1059 8.1070 8.1552 8.1559 8.2253 8.2265 13.3094 13.3343 13.5945 13.6056 13.7252 13.7374 17.1651 17.1875 k = 0.5025 0.4079 0.4067 ( 2436 PWs) bands (ev): -46.2389 -46.2389 -23.9478 -23.9461 -21.9300 -21.9297 -21.8913 -21.8888 -18.9437 -18.9437 -7.6112 -7.5841 -7.4588 -7.4444 -7.3799 -7.3713 -2.8976 -2.8857 -2.6598 -2.6562 -2.6384 -2.6230 3.3380 3.3384 3.5026 3.5056 4.0992 4.0999 4.5485 4.5502 4.5798 4.5823 4.7402 4.7424 8.1328 8.1340 8.1741 8.1749 8.2369 8.2382 13.3403 13.3633 13.6285 13.6385 13.7486 13.7599 17.1450 17.1698 k = 0.5026 0.4168 0.4155 ( 2438 PWs) bands (ev): -46.2389 -46.2389 -23.9486 -23.9471 -21.9311 -21.9309 -21.8926 -21.8903 -18.9433 -18.9433 -7.5954 -7.5697 -7.4433 -7.4287 -7.3735 -7.3662 -2.9035 -2.8922 -2.6647 -2.6616 -2.6468 -2.6324 3.3322 3.3326 3.4653 3.4680 4.0760 4.0768 4.5445 4.5458 4.5681 4.5702 4.7220 4.7241 8.1574 8.1589 8.1916 8.1924 8.2474 8.2488 13.3683 13.3893 13.6602 13.6690 13.7707 13.7811 17.1253 17.1516 k = 0.5026 0.4257 0.4244 ( 2440 PWs) bands (ev): -46.2389 -46.2389 -23.9493 -23.9479 -21.9321 -21.9320 -21.8937 -21.8916 -18.9429 -18.9429 -7.5813 -7.5575 -7.4290 -7.4144 -7.3670 -7.3612 -2.9088 -2.8983 -2.6692 -2.6665 -2.6543 -2.6412 3.3265 3.3270 3.4316 3.4339 4.0549 4.0556 4.5406 4.5416 4.5577 4.5596 4.7070 4.7089 8.1796 8.1813 8.2075 8.2084 8.2569 8.2584 13.3936 13.4124 13.6892 13.6968 13.7915 13.8009 17.1065 17.1336 k = 0.5027 0.4346 0.4333 ( 2446 PWs) bands (ev): -46.2389 -46.2389 -23.9499 -23.9487 -21.9330 -21.9329 -21.8947 -21.8928 -18.9426 -18.9426 -7.5689 -7.5473 -7.4161 -7.4018 -7.3605 -7.3562 -2.9135 -2.9039 -2.6732 -2.6709 -2.6609 -2.6492 3.3209 3.3214 3.4014 3.4035 4.0360 4.0367 4.5366 4.5374 4.5486 4.5503 4.6949 4.6966 8.1992 8.2012 8.2220 8.2230 8.2655 8.2670 13.4161 13.4327 13.7152 13.7216 13.8108 13.8193 17.0894 17.1162 k = 0.5027 0.4435 0.4422 ( 2452 PWs) bands (ev): -46.2389 -46.2389 -23.9505 -23.9494 -21.9339 -21.9338 -21.8955 -21.8938 -18.9423 -18.9423 -7.5580 -7.5390 -7.4046 -7.3911 -7.3543 -7.3514 -2.9176 -2.9090 -2.6766 -2.6749 -2.6666 -2.6564 3.3158 3.3163 3.3751 3.3768 4.0196 4.0202 4.5325 4.5332 4.5408 4.5423 4.6854 4.6869 8.2160 8.2182 8.2350 8.2360 8.2731 8.2747 13.4358 13.4502 13.7378 13.7432 13.8286 13.8360 17.0742 17.0998 k = 0.5028 0.4524 0.4510 ( 2451 PWs) bands (ev): -46.2389 -46.2389 -23.9509 -23.9500 -21.9346 -21.9345 -21.8962 -21.8947 -18.9421 -18.9421 -7.5488 -7.5324 -7.3946 -7.3822 -7.3485 -7.3468 -2.9210 -2.9136 -2.6795 -2.6783 -2.6713 -2.6627 3.3111 3.3116 3.3525 3.3540 4.0055 4.0061 4.5284 4.5290 4.5344 4.5357 4.6783 4.6796 8.2300 8.2322 8.2465 8.2474 8.2799 8.2815 13.4528 13.4649 13.7570 13.7614 13.8445 13.8509 17.0613 17.0848 k = 0.5028 0.4613 0.4599 ( 2449 PWs) bands (ev): -46.2388 -46.2388 -23.9512 -23.9505 -21.9352 -21.9351 -21.8967 -21.8955 -18.9419 -18.9419 -7.5410 -7.5274 -7.3862 -7.3753 -7.3434 -7.3425 -2.9237 -2.9175 -2.6819 -2.6811 -2.6751 -2.6682 3.3071 3.3075 3.3339 3.3351 3.9940 3.9945 4.5246 4.5250 4.5293 4.5303 4.6730 4.6741 8.2412 8.2431 8.2564 8.2571 8.2858 8.2873 13.4670 13.4769 13.7728 13.7762 13.8584 13.8636 17.0511 17.0716 k = 0.5029 0.4702 0.4688 ( 2445 PWs) bands (ev): -46.2388 -46.2388 -23.9515 -23.9509 -21.9356 -21.9356 -21.8971 -21.8961 -18.9417 -18.9417 -7.5347 -7.5240 -7.3793 -7.3704 -7.3391 -7.3388 -2.9257 -2.9208 -2.6838 -2.6834 -2.6779 -2.6727 3.3038 3.3041 3.3192 3.3201 3.9849 3.9853 4.5213 4.5215 4.5254 4.5262 4.6694 4.6702 8.2497 8.2513 8.2643 8.2648 8.2908 8.2922 13.4785 13.4861 13.7851 13.7876 13.8699 13.8739 17.0436 17.0603 k = 0.5029 0.4791 0.4777 ( 2440 PWs) bands (ev): -46.2387 -46.2387 -23.9516 -23.9512 -21.9360 -21.9360 -21.8973 -21.8966 -18.9416 -18.9416 -7.5297 -7.5220 -7.3739 -7.3674 -7.3358 -7.3357 -2.9270 -2.9234 -2.6851 -2.6850 -2.6798 -2.6762 3.3014 3.3016 3.3085 3.3091 3.9783 3.9786 4.5187 4.5188 4.5227 4.5232 4.6669 4.6675 8.2558 8.2569 8.2702 8.2705 8.2949 8.2959 13.4871 13.4926 13.7940 13.7957 13.8786 13.8815 17.0389 17.0514 k = 0.5030 0.4880 0.4865 ( 2440 PWs) bands (ev): -46.2387 -46.2387 -23.9517 -23.9514 -21.9362 -21.9362 -21.8974 -21.8970 -18.9415 -18.9415 -7.5260 -7.5214 -7.3701 -7.3661 -7.3337 -7.3337 -2.9275 -2.9254 -2.6859 -2.6859 -2.6808 -2.6786 3.2999 3.3000 3.3019 3.3022 3.9742 3.9744 4.5170 4.5171 4.5211 4.5213 4.6654 4.6658 8.2595 8.2602 8.2738 8.2739 8.2977 8.2983 13.4929 13.4962 13.7998 13.8006 13.8845 13.8862 17.0371 17.0448 k = 0.5031 0.4969 0.4954 ( 2440 PWs) bands (ev): -46.2386 -46.2386 -23.9517 -23.9516 -21.9363 -21.9363 -21.8973 -21.8972 -18.9415 -18.9415 -7.5236 -7.5221 -7.3677 -7.3664 -7.3329 -7.3329 -2.9273 -2.9266 -2.6863 -2.6863 -2.6808 -2.6801 3.2991 3.2991 3.2996 3.2996 3.9725 3.9726 4.5164 4.5164 4.5205 4.5205 4.6648 4.6649 8.2611 8.2614 8.2752 8.2752 8.2990 8.2992 13.4959 13.4970 13.8023 13.8023 13.8872 13.8878 17.0381 17.0408 Writing output data file KNbO3.save init_run : 3.17s CPU 12.32s WALL ( 1 calls) electrons : 562.81s CPU 568.94s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.32s CPU 1.39s WALL ( 1 calls) Called by electrons: c_bands : 562.70s CPU 568.62s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.83s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.04s CPU 0.50s WALL ( 1 calls) newd : 0.28s CPU 0.49s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.08s WALL ( 327 calls) cegterg : 539.75s CPU 543.28s WALL ( 999 calls) Called by sum_band: Called by *egterg: h_psi : 172.63s CPU 182.49s WALL ( 18855 calls) s_psi : 19.24s CPU 19.66s WALL ( 18855 calls) g_psi : 0.37s CPU 0.41s WALL ( 17529 calls) cdiaghg : 269.61s CPU 264.84s WALL ( 17856 calls) cegterg:over : 43.40s CPU 41.07s WALL ( 17529 calls) cegterg:upda : 4.39s CPU 7.55s WALL ( 17529 calls) cegterg:last : 4.24s CPU 5.06s WALL ( 2165 calls) Called by h_psi: h_psi:vloc : 131.82s CPU 140.28s WALL ( 18855 calls) h_psi:vnl : 40.68s CPU 41.72s WALL ( 18855 calls) add_vuspsi : 11.87s CPU 14.99s WALL ( 18855 calls) General routines calbec : 28.74s CPU 26.60s WALL ( 18855 calls) fft : 0.65s CPU 1.65s WALL ( 19 calls) ffts : 0.01s CPU 0.06s WALL ( 4 calls) fftw : 126.50s CPU 133.60s WALL ( 1247832 calls) interpolate : 0.09s CPU 0.15s WALL ( 4 calls) davcio : 0.02s CPU 0.62s WALL ( 654 calls) Parallel routines fft_scatter : 88.66s CPU 93.79s WALL ( 1247855 calls) PWSCF : 10m 3.96s CPU 11m11.04s WALL This run was terminated on: 21:35:25 10Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=