Program PWSCF v.5.1.1 starts on 31Oct2015 at 15: 8: 6 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: ./K3SbS4.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 68 40 11 2483 1113 170 Max 69 41 12 2487 1137 175 Sum 3297 1937 553 119255 54053 8247 bravais-lattice index = 14 lattice parameter (alat) = 12.5523 a.u. unit-cell volume = 1522.4835 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 56.00 number of Kohn-Sham states= 68 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 278.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.552344 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.333333 celldm(5)= -0.333333 celldm(6)= -0.333333 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.333333 0.942809 0.000000 ) a(3) = ( -0.333333 -0.471405 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.353553 0.612372 ) b(2) = ( 0.000000 1.060660 0.612372 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 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 PseudoPot. # 2 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 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 Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 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 K 9.00 39.09830 K( 1.00) S 6.00 32.06500 S( 1.00) Sb 5.00 121.76000 Sb( 1.00) 2 Sym. Ops. (no inversion) 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 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 198 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050505 k( 2) = ( 0.0121951 -0.0086233 0.0149359), wk = 0.0050505 k( 3) = ( 0.0243902 -0.0172465 0.0298718), wk = 0.0050505 k( 4) = ( 0.0365854 -0.0258698 0.0448077), wk = 0.0050505 k( 5) = ( 0.0487805 -0.0344930 0.0597437), wk = 0.0050505 k( 6) = ( 0.0609756 -0.0431163 0.0746796), wk = 0.0050505 k( 7) = ( 0.0731707 -0.0517395 0.0896155), wk = 0.0050505 k( 8) = ( 0.0853658 -0.0603628 0.1045514), wk = 0.0050505 k( 9) = ( 0.0975610 -0.0689860 0.1194873), wk = 0.0050505 k( 10) = ( 0.1097561 -0.0776093 0.1344232), wk = 0.0050505 k( 11) = ( 0.1219512 -0.0862325 0.1493591), wk = 0.0050505 k( 12) = ( 0.1341463 -0.0948558 0.1642950), wk = 0.0050505 k( 13) = ( 0.1463415 -0.1034790 0.1792310), wk = 0.0050505 k( 14) = ( 0.1585366 -0.1121023 0.1941669), wk = 0.0050505 k( 15) = ( 0.1707317 -0.1207255 0.2091028), wk = 0.0050505 k( 16) = ( 0.1829268 -0.1293488 0.2240387), wk = 0.0050505 k( 17) = ( 0.1951219 -0.1379721 0.2389746), wk = 0.0050505 k( 18) = ( 0.2073171 -0.1465953 0.2539105), wk = 0.0050505 k( 19) = ( 0.2195122 -0.1552186 0.2688464), wk = 0.0050505 k( 20) = ( 0.2317073 -0.1638418 0.2837824), wk = 0.0050505 k( 21) = ( 0.2439024 -0.1724651 0.2987183), wk = 0.0050505 k( 22) = ( 0.2560976 -0.1810883 0.3136542), wk = 0.0050505 k( 23) = ( 0.2682927 -0.1897116 0.3285901), wk = 0.0050505 k( 24) = ( 0.2804878 -0.1983348 0.3435260), wk = 0.0050505 k( 25) = ( 0.2926829 -0.2069581 0.3584619), wk = 0.0050505 k( 26) = ( 0.3048781 -0.2155813 0.3733978), wk = 0.0050505 k( 27) = ( 0.3170732 -0.2242046 0.3883337), wk = 0.0050505 k( 28) = ( 0.3292683 -0.2328278 0.4032696), wk = 0.0050505 k( 29) = ( 0.3414634 -0.2414511 0.4182056), wk = 0.0050505 k( 30) = ( 0.3536585 -0.2500744 0.4331415), wk = 0.0050505 k( 31) = ( 0.3658537 -0.2586976 0.4480774), wk = 0.0050505 k( 32) = ( 0.3780488 -0.2673209 0.4630133), wk = 0.0050505 k( 33) = ( 0.3902439 -0.2759441 0.4779492), wk = 0.0050505 k( 34) = ( 0.4024390 -0.2845674 0.4928851), wk = 0.0050505 k( 35) = ( 0.4146341 -0.2931906 0.5078210), wk = 0.0050505 k( 36) = ( 0.4268293 -0.3018139 0.5227570), wk = 0.0050505 k( 37) = ( 0.4390244 -0.3104371 0.5376929), wk = 0.0050505 k( 38) = ( 0.4512195 -0.3190604 0.5526288), wk = 0.0050505 k( 39) = ( 0.4634146 -0.3276836 0.5675647), wk = 0.0050505 k( 40) = ( 0.4756098 -0.3363069 0.5825006), wk = 0.0050505 k( 41) = ( 0.4878049 -0.3449301 0.5974365), wk = 0.0050505 k( 42) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0050505 k( 43) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0050505 k( 44) = ( 0.4827586 -0.3413619 0.6123724), wk = 0.0050505 k( 45) = ( 0.4655172 -0.3291704 0.6123724), wk = 0.0050505 k( 46) = ( 0.4482759 -0.3169789 0.6123724), wk = 0.0050505 k( 47) = ( 0.4310345 -0.3047874 0.6123724), wk = 0.0050505 k( 48) = ( 0.4137931 -0.2925959 0.6123724), wk = 0.0050505 k( 49) = ( 0.3965517 -0.2804044 0.6123724), wk = 0.0050505 k( 50) = ( 0.3793103 -0.2682129 0.6123724), wk = 0.0050505 k( 51) = ( 0.3620690 -0.2560214 0.6123724), wk = 0.0050505 k( 52) = ( 0.3448276 -0.2438299 0.6123724), wk = 0.0050505 k( 53) = ( 0.3275862 -0.2316384 0.6123724), wk = 0.0050505 k( 54) = ( 0.3103448 -0.2194469 0.6123724), wk = 0.0050505 k( 55) = ( 0.2931034 -0.2072554 0.6123724), wk = 0.0050505 k( 56) = ( 0.2758621 -0.1950639 0.6123724), wk = 0.0050505 k( 57) = ( 0.2586207 -0.1828724 0.6123724), wk = 0.0050505 k( 58) = ( 0.2413793 -0.1706809 0.6123724), wk = 0.0050505 k( 59) = ( 0.2241379 -0.1584895 0.6123724), wk = 0.0050505 k( 60) = ( 0.2068966 -0.1462980 0.6123724), wk = 0.0050505 k( 61) = ( 0.1896552 -0.1341065 0.6123724), wk = 0.0050505 k( 62) = ( 0.1724138 -0.1219150 0.6123724), wk = 0.0050505 k( 63) = ( 0.1551724 -0.1097235 0.6123724), wk = 0.0050505 k( 64) = ( 0.1379310 -0.0975320 0.6123724), wk = 0.0050505 k( 65) = ( 0.1206897 -0.0853405 0.6123724), wk = 0.0050505 k( 66) = ( 0.1034483 -0.0731490 0.6123724), wk = 0.0050505 k( 67) = ( 0.0862069 -0.0609575 0.6123724), wk = 0.0050505 k( 68) = ( 0.0689655 -0.0487660 0.6123724), wk = 0.0050505 k( 69) = ( 0.0517241 -0.0365745 0.6123724), wk = 0.0050505 k( 70) = ( 0.0344828 -0.0243830 0.6123724), wk = 0.0050505 k( 71) = ( 0.0172414 -0.0121915 0.6123724), wk = 0.0050505 k( 72) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0050505 k( 73) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0050505 k( 74) = ( 0.0000000 0.0000000 0.5912561), wk = 0.0050505 k( 75) = ( 0.0000000 0.0000000 0.5701399), wk = 0.0050505 k( 76) = ( 0.0000000 0.0000000 0.5490236), wk = 0.0050505 k( 77) = ( 0.0000000 0.0000000 0.5279073), wk = 0.0050505 k( 78) = ( 0.0000000 0.0000000 0.5067910), wk = 0.0050505 k( 79) = ( 0.0000000 0.0000000 0.4856747), wk = 0.0050505 k( 80) = ( 0.0000000 0.0000000 0.4645584), wk = 0.0050505 k( 81) = ( 0.0000000 0.0000000 0.4434421), wk = 0.0050505 k( 82) = ( 0.0000000 0.0000000 0.4223258), wk = 0.0050505 k( 83) = ( 0.0000000 0.0000000 0.4012095), wk = 0.0050505 k( 84) = ( 0.0000000 0.0000000 0.3800932), wk = 0.0050505 k( 85) = ( 0.0000000 0.0000000 0.3589769), wk = 0.0050505 k( 86) = ( 0.0000000 0.0000000 0.3378607), wk = 0.0050505 k( 87) = ( 0.0000000 0.0000000 0.3167444), wk = 0.0050505 k( 88) = ( 0.0000000 0.0000000 0.2956281), wk = 0.0050505 k( 89) = ( 0.0000000 0.0000000 0.2745118), wk = 0.0050505 k( 90) = ( 0.0000000 0.0000000 0.2533955), wk = 0.0050505 k( 91) = ( 0.0000000 0.0000000 0.2322792), wk = 0.0050505 k( 92) = ( 0.0000000 0.0000000 0.2111629), wk = 0.0050505 k( 93) = ( 0.0000000 0.0000000 0.1900466), wk = 0.0050505 k( 94) = ( 0.0000000 0.0000000 0.1689303), wk = 0.0050505 k( 95) = ( 0.0000000 0.0000000 0.1478140), wk = 0.0050505 k( 96) = ( 0.0000000 0.0000000 0.1266978), wk = 0.0050505 k( 97) = ( 0.0000000 0.0000000 0.1055815), wk = 0.0050505 k( 98) = ( 0.0000000 0.0000000 0.0844652), wk = 0.0050505 k( 99) = ( 0.0000000 0.0000000 0.0633489), wk = 0.0050505 k( 100) = ( 0.0000000 0.0000000 0.0422326), wk = 0.0050505 k( 101) = ( 0.0000000 0.0000000 0.0211163), wk = 0.0050505 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050505 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050505 k( 104) = ( 0.0069444 0.0098209 0.0170103), wk = 0.0050505 k( 105) = ( 0.0138889 0.0196419 0.0340207), wk = 0.0050505 k( 106) = ( 0.0208333 0.0294628 0.0510310), wk = 0.0050505 k( 107) = ( 0.0277778 0.0392837 0.0680414), wk = 0.0050505 k( 108) = ( 0.0347222 0.0491046 0.0850517), wk = 0.0050505 k( 109) = ( 0.0416667 0.0589256 0.1020621), wk = 0.0050505 k( 110) = ( 0.0486111 0.0687465 0.1190724), wk = 0.0050505 k( 111) = ( 0.0555556 0.0785674 0.1360828), wk = 0.0050505 k( 112) = ( 0.0625000 0.0883883 0.1530931), wk = 0.0050505 k( 113) = ( 0.0694444 0.0982093 0.1701034), wk = 0.0050505 k( 114) = ( 0.0763889 0.1080302 0.1871138), wk = 0.0050505 k( 115) = ( 0.0833333 0.1178511 0.2041241), wk = 0.0050505 k( 116) = ( 0.0902778 0.1276721 0.2211345), wk = 0.0050505 k( 117) = ( 0.0972222 0.1374930 0.2381448), wk = 0.0050505 k( 118) = ( 0.1041667 0.1473139 0.2551552), wk = 0.0050505 k( 119) = ( 0.1111111 0.1571348 0.2721655), wk = 0.0050505 k( 120) = ( 0.1180556 0.1669558 0.2891759), wk = 0.0050505 k( 121) = ( 0.1250000 0.1767767 0.3061862), wk = 0.0050505 k( 122) = ( 0.1319444 0.1865976 0.3231966), wk = 0.0050505 k( 123) = ( 0.1388889 0.1964186 0.3402069), wk = 0.0050505 k( 124) = ( 0.1458333 0.2062395 0.3572172), wk = 0.0050505 k( 125) = ( 0.1527778 0.2160604 0.3742276), wk = 0.0050505 k( 126) = ( 0.1597222 0.2258813 0.3912379), wk = 0.0050505 k( 127) = ( 0.1666667 0.2357023 0.4082483), wk = 0.0050505 k( 128) = ( 0.1736111 0.2455232 0.4252586), wk = 0.0050505 k( 129) = ( 0.1805556 0.2553441 0.4422690), wk = 0.0050505 k( 130) = ( 0.1875000 0.2651650 0.4592793), wk = 0.0050505 k( 131) = ( 0.1944444 0.2749860 0.4762897), wk = 0.0050505 k( 132) = ( 0.2013889 0.2848069 0.4933000), wk = 0.0050505 k( 133) = ( 0.2083333 0.2946278 0.5103104), wk = 0.0050505 k( 134) = ( 0.2152778 0.3044488 0.5273207), wk = 0.0050505 k( 135) = ( 0.2222222 0.3142697 0.5443310), wk = 0.0050505 k( 136) = ( 0.2291667 0.3240906 0.5613414), wk = 0.0050505 k( 137) = ( 0.2361111 0.3339115 0.5783517), wk = 0.0050505 k( 138) = ( 0.2430556 0.3437325 0.5953621), wk = 0.0050505 k( 139) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0050505 k( 140) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0050505 k( 141) = ( 0.2569444 0.3339115 0.6123724), wk = 0.0050505 k( 142) = ( 0.2638889 0.3142697 0.6123724), wk = 0.0050505 k( 143) = ( 0.2708333 0.2946278 0.6123724), wk = 0.0050505 k( 144) = ( 0.2777778 0.2749860 0.6123724), wk = 0.0050505 k( 145) = ( 0.2847222 0.2553441 0.6123724), wk = 0.0050505 k( 146) = ( 0.2916667 0.2357023 0.6123724), wk = 0.0050505 k( 147) = ( 0.2986111 0.2160604 0.6123724), wk = 0.0050505 k( 148) = ( 0.3055556 0.1964185 0.6123724), wk = 0.0050505 k( 149) = ( 0.3125000 0.1767767 0.6123724), wk = 0.0050505 k( 150) = ( 0.3194444 0.1571348 0.6123724), wk = 0.0050505 k( 151) = ( 0.3263889 0.1374930 0.6123724), wk = 0.0050505 k( 152) = ( 0.3333333 0.1178511 0.6123724), wk = 0.0050505 k( 153) = ( 0.3402778 0.0982093 0.6123724), wk = 0.0050505 k( 154) = ( 0.3472222 0.0785674 0.6123724), wk = 0.0050505 k( 155) = ( 0.3541667 0.0589256 0.6123724), wk = 0.0050505 k( 156) = ( 0.3611111 0.0392837 0.6123724), wk = 0.0050505 k( 157) = ( 0.3680556 0.0196419 0.6123724), wk = 0.0050505 k( 158) = ( 0.3750000 -0.0000000 0.6123724), wk = 0.0050505 k( 159) = ( 0.3819444 -0.0196419 0.6123724), wk = 0.0050505 k( 160) = ( 0.3888889 -0.0392837 0.6123724), wk = 0.0050505 k( 161) = ( 0.3958333 -0.0589256 0.6123724), wk = 0.0050505 k( 162) = ( 0.4027778 -0.0785674 0.6123724), wk = 0.0050505 k( 163) = ( 0.4097222 -0.0982093 0.6123724), wk = 0.0050505 k( 164) = ( 0.4166667 -0.1178511 0.6123724), wk = 0.0050505 k( 165) = ( 0.4236111 -0.1374930 0.6123724), wk = 0.0050505 k( 166) = ( 0.4305556 -0.1571348 0.6123724), wk = 0.0050505 k( 167) = ( 0.4375000 -0.1767767 0.6123724), wk = 0.0050505 k( 168) = ( 0.4444444 -0.1964185 0.6123724), wk = 0.0050505 k( 169) = ( 0.4513889 -0.2160604 0.6123724), wk = 0.0050505 k( 170) = ( 0.4583333 -0.2357023 0.6123724), wk = 0.0050505 k( 171) = ( 0.4652778 -0.2553441 0.6123724), wk = 0.0050505 k( 172) = ( 0.4722222 -0.2749860 0.6123724), wk = 0.0050505 k( 173) = ( 0.4791667 -0.2946278 0.6123724), wk = 0.0050505 k( 174) = ( 0.4861111 -0.3142697 0.6123724), wk = 0.0050505 k( 175) = ( 0.4930556 -0.3339115 0.6123724), wk = 0.0050505 k( 176) = ( 0.5000000 -0.3535534 0.6123724), wk = 0.0050505 k( 177) = ( 0.2500000 0.3535534 0.6123724), wk = 0.0050505 k( 178) = ( 0.2380952 0.3367175 0.6123724), wk = 0.0050505 k( 179) = ( 0.2261905 0.3198816 0.6123724), wk = 0.0050505 k( 180) = ( 0.2142857 0.3030458 0.6123724), wk = 0.0050505 k( 181) = ( 0.2023810 0.2862099 0.6123724), wk = 0.0050505 k( 182) = ( 0.1904762 0.2693740 0.6123724), wk = 0.0050505 k( 183) = ( 0.1785714 0.2525381 0.6123724), wk = 0.0050505 k( 184) = ( 0.1666667 0.2357023 0.6123724), wk = 0.0050505 k( 185) = ( 0.1547619 0.2188664 0.6123724), wk = 0.0050505 k( 186) = ( 0.1428571 0.2020305 0.6123724), wk = 0.0050505 k( 187) = ( 0.1309524 0.1851946 0.6123724), wk = 0.0050505 k( 188) = ( 0.1190476 0.1683588 0.6123724), wk = 0.0050505 k( 189) = ( 0.1071429 0.1515229 0.6123724), wk = 0.0050505 k( 190) = ( 0.0952381 0.1346870 0.6123724), wk = 0.0050505 k( 191) = ( 0.0833333 0.1178511 0.6123724), wk = 0.0050505 k( 192) = ( 0.0714286 0.1010153 0.6123724), wk = 0.0050505 k( 193) = ( 0.0595238 0.0841794 0.6123724), wk = 0.0050505 k( 194) = ( 0.0476191 0.0673435 0.6123724), wk = 0.0050505 k( 195) = ( 0.0357143 0.0505076 0.6123724), wk = 0.0050505 k( 196) = ( 0.0238095 0.0336717 0.6123724), wk = 0.0050505 k( 197) = ( 0.0119048 0.0168359 0.6123724), wk = 0.0050505 k( 198) = ( 0.0000000 0.0000000 0.6123724), wk = 0.0050505 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050505 k( 2) = ( 0.0121951 -0.0121951 0.0121951), wk = 0.0050505 k( 3) = ( 0.0243902 -0.0243902 0.0243902), wk = 0.0050505 k( 4) = ( 0.0365854 -0.0365854 0.0365854), wk = 0.0050505 k( 5) = ( 0.0487805 -0.0487805 0.0487805), wk = 0.0050505 k( 6) = ( 0.0609756 -0.0609756 0.0609756), wk = 0.0050505 k( 7) = ( 0.0731707 -0.0731707 0.0731707), wk = 0.0050505 k( 8) = ( 0.0853658 -0.0853658 0.0853658), wk = 0.0050505 k( 9) = ( 0.0975610 -0.0975610 0.0975610), wk = 0.0050505 k( 10) = ( 0.1097561 -0.1097561 0.1097561), wk = 0.0050505 k( 11) = ( 0.1219512 -0.1219512 0.1219512), wk = 0.0050505 k( 12) = ( 0.1341463 -0.1341463 0.1341463), wk = 0.0050505 k( 13) = ( 0.1463415 -0.1463415 0.1463415), wk = 0.0050505 k( 14) = ( 0.1585366 -0.1585366 0.1585366), wk = 0.0050505 k( 15) = ( 0.1707317 -0.1707317 0.1707317), wk = 0.0050505 k( 16) = ( 0.1829268 -0.1829268 0.1829268), wk = 0.0050505 k( 17) = ( 0.1951219 -0.1951219 0.1951219), wk = 0.0050505 k( 18) = ( 0.2073171 -0.2073171 0.2073171), wk = 0.0050505 k( 19) = ( 0.2195122 -0.2195122 0.2195122), wk = 0.0050505 k( 20) = ( 0.2317073 -0.2317073 0.2317073), wk = 0.0050505 k( 21) = ( 0.2439024 -0.2439024 0.2439024), wk = 0.0050505 k( 22) = ( 0.2560976 -0.2560976 0.2560976), wk = 0.0050505 k( 23) = ( 0.2682927 -0.2682927 0.2682927), wk = 0.0050505 k( 24) = ( 0.2804878 -0.2804878 0.2804878), wk = 0.0050505 k( 25) = ( 0.2926829 -0.2926829 0.2926829), wk = 0.0050505 k( 26) = ( 0.3048781 -0.3048781 0.3048780), wk = 0.0050505 k( 27) = ( 0.3170732 -0.3170732 0.3170732), wk = 0.0050505 k( 28) = ( 0.3292683 -0.3292683 0.3292683), wk = 0.0050505 k( 29) = ( 0.3414634 -0.3414634 0.3414634), wk = 0.0050505 k( 30) = ( 0.3536585 -0.3536585 0.3536585), wk = 0.0050505 k( 31) = ( 0.3658537 -0.3658537 0.3658537), wk = 0.0050505 k( 32) = ( 0.3780488 -0.3780488 0.3780488), wk = 0.0050505 k( 33) = ( 0.3902439 -0.3902439 0.3902439), wk = 0.0050505 k( 34) = ( 0.4024390 -0.4024390 0.4024390), wk = 0.0050505 k( 35) = ( 0.4146341 -0.4146342 0.4146341), wk = 0.0050505 k( 36) = ( 0.4268293 -0.4268293 0.4268293), wk = 0.0050505 k( 37) = ( 0.4390244 -0.4390244 0.4390244), wk = 0.0050505 k( 38) = ( 0.4512195 -0.4512195 0.4512195), wk = 0.0050505 k( 39) = ( 0.4634146 -0.4634146 0.4634146), wk = 0.0050505 k( 40) = ( 0.4756098 -0.4756098 0.4756098), wk = 0.0050505 k( 41) = ( 0.4878049 -0.4878049 0.4878049), wk = 0.0050505 k( 42) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0050505 k( 43) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0050505 k( 44) = ( 0.4827586 -0.4827586 0.5000000), wk = 0.0050505 k( 45) = ( 0.4655172 -0.4655172 0.5000000), wk = 0.0050505 k( 46) = ( 0.4482759 -0.4482759 0.5000000), wk = 0.0050505 k( 47) = ( 0.4310345 -0.4310345 0.5000000), wk = 0.0050505 k( 48) = ( 0.4137931 -0.4137931 0.5000000), wk = 0.0050505 k( 49) = ( 0.3965517 -0.3965517 0.5000000), wk = 0.0050505 k( 50) = ( 0.3793103 -0.3793103 0.5000000), wk = 0.0050505 k( 51) = ( 0.3620690 -0.3620690 0.5000000), wk = 0.0050505 k( 52) = ( 0.3448276 -0.3448276 0.5000000), wk = 0.0050505 k( 53) = ( 0.3275862 -0.3275862 0.5000000), wk = 0.0050505 k( 54) = ( 0.3103448 -0.3103448 0.5000000), wk = 0.0050505 k( 55) = ( 0.2931034 -0.2931034 0.5000000), wk = 0.0050505 k( 56) = ( 0.2758621 -0.2758621 0.5000000), wk = 0.0050505 k( 57) = ( 0.2586207 -0.2586207 0.5000000), wk = 0.0050505 k( 58) = ( 0.2413793 -0.2413793 0.5000000), wk = 0.0050505 k( 59) = ( 0.2241379 -0.2241379 0.5000000), wk = 0.0050505 k( 60) = ( 0.2068966 -0.2068966 0.5000000), wk = 0.0050505 k( 61) = ( 0.1896552 -0.1896552 0.5000000), wk = 0.0050505 k( 62) = ( 0.1724138 -0.1724138 0.5000000), wk = 0.0050505 k( 63) = ( 0.1551724 -0.1551724 0.5000000), wk = 0.0050505 k( 64) = ( 0.1379310 -0.1379310 0.5000000), wk = 0.0050505 k( 65) = ( 0.1206897 -0.1206897 0.5000000), wk = 0.0050505 k( 66) = ( 0.1034483 -0.1034483 0.5000000), wk = 0.0050505 k( 67) = ( 0.0862069 -0.0862069 0.5000000), wk = 0.0050505 k( 68) = ( 0.0689655 -0.0689655 0.5000000), wk = 0.0050505 k( 69) = ( 0.0517241 -0.0517241 0.5000000), wk = 0.0050505 k( 70) = ( 0.0344828 -0.0344828 0.5000000), wk = 0.0050505 k( 71) = ( 0.0172414 -0.0172414 0.5000000), wk = 0.0050505 k( 72) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0050505 k( 73) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0050505 k( 74) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0050505 k( 75) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0050505 k( 76) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0050505 k( 77) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0050505 k( 78) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0050505 k( 79) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0050505 k( 80) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0050505 k( 81) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0050505 k( 82) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0050505 k( 83) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0050505 k( 84) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0050505 k( 85) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0050505 k( 86) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0050505 k( 87) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0050505 k( 88) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0050505 k( 89) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0050505 k( 90) = ( 0.0000000 0.0000000 0.2068965), wk = 0.0050505 k( 91) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0050505 k( 92) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0050505 k( 93) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0050505 k( 94) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0050505 k( 95) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0050505 k( 96) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0050505 k( 97) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0050505 k( 98) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0050505 k( 99) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0050505 k( 100) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0050505 k( 101) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0050505 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050505 k( 103) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050505 k( 104) = ( 0.0069444 0.0069444 0.0069444), wk = 0.0050505 k( 105) = ( 0.0138889 0.0138889 0.0138889), wk = 0.0050505 k( 106) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0050505 k( 107) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0050505 k( 108) = ( 0.0347222 0.0347222 0.0347222), wk = 0.0050505 k( 109) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0050505 k( 110) = ( 0.0486111 0.0486111 0.0486111), wk = 0.0050505 k( 111) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0050505 k( 112) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0050505 k( 113) = ( 0.0694444 0.0694444 0.0694444), wk = 0.0050505 k( 114) = ( 0.0763889 0.0763889 0.0763889), wk = 0.0050505 k( 115) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0050505 k( 116) = ( 0.0902778 0.0902778 0.0902778), wk = 0.0050505 k( 117) = ( 0.0972222 0.0972222 0.0972222), wk = 0.0050505 k( 118) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0050505 k( 119) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0050505 k( 120) = ( 0.1180556 0.1180556 0.1180556), wk = 0.0050505 k( 121) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0050505 k( 122) = ( 0.1319444 0.1319444 0.1319444), wk = 0.0050505 k( 123) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0050505 k( 124) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0050505 k( 125) = ( 0.1527778 0.1527778 0.1527778), wk = 0.0050505 k( 126) = ( 0.1597222 0.1597222 0.1597222), wk = 0.0050505 k( 127) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0050505 k( 128) = ( 0.1736111 0.1736111 0.1736111), wk = 0.0050505 k( 129) = ( 0.1805556 0.1805556 0.1805556), wk = 0.0050505 k( 130) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0050505 k( 131) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0050505 k( 132) = ( 0.2013889 0.2013889 0.2013889), wk = 0.0050505 k( 133) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0050505 k( 134) = ( 0.2152778 0.2152778 0.2152778), wk = 0.0050505 k( 135) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0050505 k( 136) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0050505 k( 137) = ( 0.2361111 0.2361111 0.2361111), wk = 0.0050505 k( 138) = ( 0.2430556 0.2430556 0.2430556), wk = 0.0050505 k( 139) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0050505 k( 140) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0050505 k( 141) = ( 0.2569444 0.2291667 0.2569444), wk = 0.0050505 k( 142) = ( 0.2638889 0.2083333 0.2638889), wk = 0.0050505 k( 143) = ( 0.2708333 0.1875000 0.2708333), wk = 0.0050505 k( 144) = ( 0.2777778 0.1666667 0.2777778), wk = 0.0050505 k( 145) = ( 0.2847222 0.1458333 0.2847222), wk = 0.0050505 k( 146) = ( 0.2916667 0.1250000 0.2916667), wk = 0.0050505 k( 147) = ( 0.2986111 0.1041667 0.2986111), wk = 0.0050505 k( 148) = ( 0.3055556 0.0833333 0.3055556), wk = 0.0050505 k( 149) = ( 0.3125000 0.0625000 0.3125000), wk = 0.0050505 k( 150) = ( 0.3194444 0.0416667 0.3194444), wk = 0.0050505 k( 151) = ( 0.3263889 0.0208333 0.3263889), wk = 0.0050505 k( 152) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0050505 k( 153) = ( 0.3402778 -0.0208333 0.3402778), wk = 0.0050505 k( 154) = ( 0.3472222 -0.0416667 0.3472222), wk = 0.0050505 k( 155) = ( 0.3541667 -0.0625000 0.3541667), wk = 0.0050505 k( 156) = ( 0.3611111 -0.0833333 0.3611111), wk = 0.0050505 k( 157) = ( 0.3680556 -0.1041667 0.3680556), wk = 0.0050505 k( 158) = ( 0.3750000 -0.1250000 0.3750000), wk = 0.0050505 k( 159) = ( 0.3819444 -0.1458333 0.3819444), wk = 0.0050505 k( 160) = ( 0.3888889 -0.1666667 0.3888889), wk = 0.0050505 k( 161) = ( 0.3958333 -0.1875000 0.3958333), wk = 0.0050505 k( 162) = ( 0.4027778 -0.2083333 0.4027778), wk = 0.0050505 k( 163) = ( 0.4097222 -0.2291667 0.4097222), wk = 0.0050505 k( 164) = ( 0.4166667 -0.2500000 0.4166667), wk = 0.0050505 k( 165) = ( 0.4236111 -0.2708333 0.4236111), wk = 0.0050505 k( 166) = ( 0.4305556 -0.2916667 0.4305556), wk = 0.0050505 k( 167) = ( 0.4375000 -0.3125000 0.4375000), wk = 0.0050505 k( 168) = ( 0.4444444 -0.3333333 0.4444444), wk = 0.0050505 k( 169) = ( 0.4513889 -0.3541667 0.4513889), wk = 0.0050505 k( 170) = ( 0.4583333 -0.3750000 0.4583333), wk = 0.0050505 k( 171) = ( 0.4652778 -0.3958333 0.4652778), wk = 0.0050505 k( 172) = ( 0.4722222 -0.4166667 0.4722222), wk = 0.0050505 k( 173) = ( 0.4791667 -0.4375000 0.4791667), wk = 0.0050505 k( 174) = ( 0.4861111 -0.4583333 0.4861111), wk = 0.0050505 k( 175) = ( 0.4930556 -0.4791667 0.4930556), wk = 0.0050505 k( 176) = ( 0.5000000 -0.5000000 0.5000000), wk = 0.0050505 k( 177) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0050505 k( 178) = ( 0.2380952 0.2380952 0.2619048), wk = 0.0050505 k( 179) = ( 0.2261905 0.2261905 0.2738095), wk = 0.0050505 k( 180) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0050505 k( 181) = ( 0.2023810 0.2023809 0.2976190), wk = 0.0050505 k( 182) = ( 0.1904762 0.1904762 0.3095238), wk = 0.0050505 k( 183) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0050505 k( 184) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0050505 k( 185) = ( 0.1547619 0.1547619 0.3452381), wk = 0.0050505 k( 186) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0050505 k( 187) = ( 0.1309524 0.1309524 0.3690476), wk = 0.0050505 k( 188) = ( 0.1190476 0.1190476 0.3809524), wk = 0.0050505 k( 189) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0050505 k( 190) = ( 0.0952381 0.0952381 0.4047619), wk = 0.0050505 k( 191) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0050505 k( 192) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0050505 k( 193) = ( 0.0595238 0.0595238 0.4404762), wk = 0.0050505 k( 194) = ( 0.0476191 0.0476190 0.4523810), wk = 0.0050505 k( 195) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0050505 k( 196) = ( 0.0238095 0.0238095 0.4761905), wk = 0.0050505 k( 197) = ( 0.0119048 0.0119048 0.4880952), wk = 0.0050505 k( 198) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0050505 Dense grid: 119255 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 54053 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 276, 68) NL pseudopotentials 0.57 Mb ( 138, 272) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2484) G-vector shells 0.00 Mb ( 514) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.15 Mb ( 276, 272) Each subspace H/S matrix 1.13 Mb ( 272, 272) Each matrix 0.56 Mb ( 272, 2, 68) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./K3SbS4.save/charge-density.dat Starting wfc are 88 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 48.3 secs Computing kpt #: 2 total cpu time spent up to now is 55.7 secs Computing kpt #: 3 total cpu time spent up to now is 62.8 secs Computing kpt #: 4 total cpu time spent up to now is 69.1 secs Computing kpt #: 5 total cpu time spent up to now is 73.4 secs Computing kpt #: 6 total cpu time spent up to now is 77.7 secs Computing kpt #: 7 total cpu time spent up to now is 84.5 secs Computing kpt #: 8 total cpu time spent up to now is 88.6 secs Computing kpt #: 9 total cpu time spent up to now is 92.8 secs Computing kpt #: 10 total cpu time spent up to now is 97.9 secs Computing kpt #: 11 total cpu time spent up to now is 106.3 secs Computing kpt #: 12 total cpu time spent up to now is 111.7 secs Computing kpt #: 13 total cpu time spent up to now is 120.3 secs Computing kpt #: 14 total cpu time spent up to now is 131.1 secs Computing kpt #: 15 total cpu time spent up to now is 137.5 secs Computing kpt #: 16 total cpu time spent up to now is 144.0 secs Computing kpt #: 17 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 156.0 secs Computing kpt #: 18 total cpu time spent up to now is 163.1 secs Computing kpt #: 19 total cpu time spent up to now is 171.3 secs Computing kpt #: 20 total cpu time spent up to now is 175.6 secs Computing kpt #: 21 total cpu time spent up to now is 179.9 secs Computing kpt #: 22 total cpu time spent up to now is 184.3 secs Computing kpt #: 23 total cpu time spent up to now is 191.0 secs Computing kpt #: 24 total cpu time spent up to now is 195.2 secs Computing kpt #: 25 total cpu time spent up to now is 199.4 secs Computing kpt #: 26 total cpu time spent up to now is 203.7 secs Computing kpt #: 27 total cpu time spent up to now is 211.4 secs Computing kpt #: 28 total cpu time spent up to now is 215.6 secs Computing kpt #: 29 total cpu time spent up to now is 219.8 secs Computing kpt #: 30 total cpu time spent up to now is 224.0 secs Computing kpt #: 31 total cpu time spent up to now is 231.1 secs Computing kpt #: 32 total cpu time spent up to now is 235.2 secs Computing kpt #: 33 total cpu time spent up to now is 239.3 secs Computing kpt #: 34 total cpu time spent up to now is 243.3 secs Computing kpt #: 35 total cpu time spent up to now is 248.4 secs Computing kpt #: 36 total cpu time spent up to now is 254.3 secs Computing kpt #: 37 total cpu time spent up to now is 258.2 secs Computing kpt #: 38 total cpu time spent up to now is 262.2 secs Computing kpt #: 39 total cpu time spent up to now is 268.6 secs Computing kpt #: 40 total cpu time spent up to now is 272.5 secs Computing kpt #: 41 total cpu time spent up to now is 276.5 secs Computing kpt #: 42 total cpu time spent up to now is 280.4 secs Computing kpt #: 43 total cpu time spent up to now is 286.3 secs Computing kpt #: 44 total cpu time spent up to now is 290.2 secs Computing kpt #: 45 total cpu time spent up to now is 294.0 secs Computing kpt #: 46 total cpu time spent up to now is 300.5 secs Computing kpt #: 47 total cpu time spent up to now is 304.8 secs Computing kpt #: 48 total cpu time spent up to now is 308.7 secs Computing kpt #: 49 total cpu time spent up to now is 312.8 secs Computing kpt #: 50 total cpu time spent up to now is 319.0 secs Computing kpt #: 51 total cpu time spent up to now is 323.1 secs Computing kpt #: 52 total cpu time spent up to now is 327.3 secs Computing kpt #: 53 total cpu time spent up to now is 333.3 secs Computing kpt #: 54 total cpu time spent up to now is 337.9 secs Computing kpt #: 55 total cpu time spent up to now is 342.2 secs Computing kpt #: 56 total cpu time spent up to now is 349.4 secs Computing kpt #: 57 total cpu time spent up to now is 356.1 secs Computing kpt #: 58 total cpu time spent up to now is 360.5 secs Computing kpt #: 59 total cpu time spent up to now is 367.3 secs Computing kpt #: 60 total cpu time spent up to now is 372.6 secs Computing kpt #: 61 total cpu time spent up to now is 377.1 secs Computing kpt #: 62 total cpu time spent up to now is 381.7 secs Computing kpt #: 63 total cpu time spent up to now is 389.3 secs Computing kpt #: 64 total cpu time spent up to now is 394.0 secs Computing kpt #: 65 total cpu time spent up to now is 398.8 secs Computing kpt #: 66 total cpu time spent up to now is 403.9 secs Computing kpt #: 67 total cpu time spent up to now is 412.8 secs Computing kpt #: 68 total cpu time spent up to now is 418.0 secs Computing kpt #: 69 total cpu time spent up to now is 423.6 secs Computing kpt #: 70 total cpu time spent up to now is 431.7 secs Computing kpt #: 71 total cpu time spent up to now is 438.5 secs Computing kpt #: 72 total cpu time spent up to now is 445.3 secs Computing kpt #: 73 total cpu time spent up to now is 452.8 secs Computing kpt #: 74 total cpu time spent up to now is 461.0 secs Computing kpt #: 75 total cpu time spent up to now is 469.0 secs Computing kpt #: 76 total cpu time spent up to now is 476.0 secs Computing kpt #: 77 total cpu time spent up to now is 482.2 secs Computing kpt #: 78 total cpu time spent up to now is 488.7 secs Computing kpt #: 79 total cpu time spent up to now is 494.4 secs Computing kpt #: 80 total cpu time spent up to now is 499.6 secs Computing kpt #: 81 total cpu time spent up to now is 505.1 secs Computing kpt #: 82 total cpu time spent up to now is 510.6 secs Computing kpt #: 83 total cpu time spent up to now is 516.1 secs Computing kpt #: 84 total cpu time spent up to now is 521.6 secs Computing kpt #: 85 total cpu time spent up to now is 526.8 secs Computing kpt #: 86 total cpu time spent up to now is 532.4 secs Computing kpt #: 87 total cpu time spent up to now is 537.8 secs Computing kpt #: 88 total cpu time spent up to now is 543.1 secs Computing kpt #: 89 total cpu time spent up to now is 548.5 secs Computing kpt #: 90 total cpu time spent up to now is 553.9 secs Computing kpt #: 91 total cpu time spent up to now is 559.7 secs Computing kpt #: 92 total cpu time spent up to now is 565.2 secs Computing kpt #: 93 total cpu time spent up to now is 571.5 secs Computing kpt #: 94 total cpu time spent up to now is 577.1 secs Computing kpt #: 95 total cpu time spent up to now is 582.6 secs Computing kpt #: 96 total cpu time spent up to now is 588.1 secs Computing kpt #: 97 total cpu time spent up to now is 593.6 secs Computing kpt #: 98 total cpu time spent up to now is 599.2 secs Computing kpt #: 99 total cpu time spent up to now is 604.7 secs Computing kpt #: 100 total cpu time spent up to now is 610.5 secs Computing kpt #: 101 total cpu time spent up to now is 616.3 secs Computing kpt #: 102 total cpu time spent up to now is 620.7 secs Computing kpt #: 103 total cpu time spent up to now is 625.1 secs Computing kpt #: 104 total cpu time spent up to now is 633.8 secs Computing kpt #: 105 total cpu time spent up to now is 639.6 secs Computing kpt #: 106 total cpu time spent up to now is 645.3 secs Computing kpt #: 107 total cpu time spent up to now is 653.0 secs Computing kpt #: 108 total cpu time spent up to now is 658.8 secs Computing kpt #: 109 total cpu time spent up to now is 664.4 secs Computing kpt #: 110 total cpu time spent up to now is 670.0 secs Computing kpt #: 111 total cpu time spent up to now is 675.5 secs Computing kpt #: 112 total cpu time spent up to now is 680.8 secs Computing kpt #: 113 total cpu time spent up to now is 686.2 secs Computing kpt #: 114 total cpu time spent up to now is 692.5 secs Computing kpt #: 115 total cpu time spent up to now is 698.0 secs Computing kpt #: 116 total cpu time spent up to now is 704.5 secs Computing kpt #: 117 total cpu time spent up to now is 711.4 secs Computing kpt #: 118 total cpu time spent up to now is 718.8 secs Computing kpt #: 119 total cpu time spent up to now is 726.3 secs Computing kpt #: 120 total cpu time spent up to now is 733.8 secs Computing kpt #: 121 total cpu time spent up to now is 741.3 secs Computing kpt #: 122 total cpu time spent up to now is 746.9 secs Computing kpt #: 123 total cpu time spent up to now is 754.7 secs Computing kpt #: 124 total cpu time spent up to now is 762.3 secs Computing kpt #: 125 total cpu time spent up to now is 769.7 secs Computing kpt #: 126 total cpu time spent up to now is 778.0 secs Computing kpt #: 127 total cpu time spent up to now is 785.5 secs Computing kpt #: 128 total cpu time spent up to now is 793.1 secs Computing kpt #: 129 total cpu time spent up to now is 801.5 secs Computing kpt #: 130 total cpu time spent up to now is 809.3 secs Computing kpt #: 131 total cpu time spent up to now is 817.0 secs Computing kpt #: 132 total cpu time spent up to now is 824.4 secs Computing kpt #: 133 total cpu time spent up to now is 833.2 secs Computing kpt #: 134 total cpu time spent up to now is 840.2 secs Computing kpt #: 135 total cpu time spent up to now is 848.1 secs Computing kpt #: 136 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 857.1 secs Computing kpt #: 137 total cpu time spent up to now is 863.8 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 872.7 secs Computing kpt #: 139 total cpu time spent up to now is 878.0 secs Computing kpt #: 140 total cpu time spent up to now is 883.3 secs Computing kpt #: 141 total cpu time spent up to now is 889.9 secs Computing kpt #: 142 total cpu time spent up to now is 895.5 secs Computing kpt #: 143 total cpu time spent up to now is 900.9 secs Computing kpt #: 144 total cpu time spent up to now is 906.2 secs Computing kpt #: 145 total cpu time spent up to now is 911.3 secs Computing kpt #: 146 total cpu time spent up to now is 916.1 secs Computing kpt #: 147 total cpu time spent up to now is 920.8 secs Computing kpt #: 148 total cpu time spent up to now is 925.4 secs Computing kpt #: 149 total cpu time spent up to now is 930.0 secs Computing kpt #: 150 total cpu time spent up to now is 934.6 secs Computing kpt #: 151 total cpu time spent up to now is 939.0 secs Computing kpt #: 152 total cpu time spent up to now is 943.4 secs Computing kpt #: 153 total cpu time spent up to now is 948.5 secs Computing kpt #: 154 total cpu time spent up to now is 953.1 secs Computing kpt #: 155 total cpu time spent up to now is 957.4 secs Computing kpt #: 156 total cpu time spent up to now is 961.8 secs Computing kpt #: 157 total cpu time spent up to now is 966.0 secs Computing kpt #: 158 total cpu time spent up to now is 970.3 secs Computing kpt #: 159 total cpu time spent up to now is 974.6 secs Computing kpt #: 160 total cpu time spent up to now is 978.8 secs Computing kpt #: 161 total cpu time spent up to now is 983.0 secs Computing kpt #: 162 total cpu time spent up to now is 987.2 secs Computing kpt #: 163 total cpu time spent up to now is 991.4 secs Computing kpt #: 164 total cpu time spent up to now is 995.6 secs Computing kpt #: 165 total cpu time spent up to now is 999.7 secs Computing kpt #: 166 total cpu time spent up to now is 1003.8 secs Computing kpt #: 167 total cpu time spent up to now is 1007.9 secs Computing kpt #: 168 total cpu time spent up to now is 1011.9 secs Computing kpt #: 169 total cpu time spent up to now is 1015.9 secs Computing kpt #: 170 total cpu time spent up to now is 1019.9 secs Computing kpt #: 171 total cpu time spent up to now is 1023.9 secs Computing kpt #: 172 total cpu time spent up to now is 1027.8 secs Computing kpt #: 173 total cpu time spent up to now is 1031.7 secs Computing kpt #: 174 total cpu time spent up to now is 1035.6 secs Computing kpt #: 175 total cpu time spent up to now is 1039.5 secs Computing kpt #: 176 total cpu time spent up to now is 1043.3 secs Computing kpt #: 177 total cpu time spent up to now is 1048.6 secs Computing kpt #: 178 total cpu time spent up to now is 1055.3 secs Computing kpt #: 179 total cpu time spent up to now is 1062.0 secs Computing kpt #: 180 total cpu time spent up to now is 1068.9 secs Computing kpt #: 181 total cpu time spent up to now is 1075.5 secs Computing kpt #: 182 total cpu time spent up to now is 1082.2 secs Computing kpt #: 183 total cpu time spent up to now is 1088.8 secs Computing kpt #: 184 total cpu time spent up to now is 1096.3 secs Computing kpt #: 185 total cpu time spent up to now is 1104.7 secs Computing kpt #: 186 total cpu time spent up to now is 1113.4 secs Computing kpt #: 187 total cpu time spent up to now is 1122.0 secs Computing kpt #: 188 total cpu time spent up to now is 1130.4 secs Computing kpt #: 189 total cpu time spent up to now is 1139.1 secs Computing kpt #: 190 total cpu time spent up to now is 1145.5 secs Computing kpt #: 191 total cpu time spent up to now is 1152.8 secs Computing kpt #: 192 total cpu time spent up to now is 1160.2 secs Computing kpt #: 193 total cpu time spent up to now is 1166.6 secs Computing kpt #: 194 total cpu time spent up to now is 1172.8 secs Computing kpt #: 195 total cpu time spent up to now is 1179.0 secs Computing kpt #: 196 total cpu time spent up to now is 1185.4 secs Computing kpt #: 197 total cpu time spent up to now is 1191.6 secs Computing kpt #: 198 total cpu time spent up to now is 1199.5 secs ethr = 1.79E-11, avg # of iterations = 50.5 total cpu time spent up to now is 1199.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6819 PWs) bands (ev): -25.3203 -25.3203 -25.2918 -25.2918 -25.2918 -25.2918 -9.3586 -9.3586 -9.1068 -9.1068 -9.1068 -9.1068 -8.9736 -8.9736 -8.8975 -8.8975 -8.8425 -8.8425 -8.8425 -8.8425 -8.7707 -8.7707 -8.6735 -8.6735 -8.6735 -8.6735 -7.3384 -7.3384 -7.3145 -7.3145 -7.3145 -7.3145 -3.5342 -3.5342 -0.1713 -0.1713 0.0569 0.0569 0.0569 0.0569 2.6547 2.6547 2.6814 2.6814 2.6814 2.6814 2.7760 2.7760 2.7760 2.7760 3.1117 3.1117 3.1978 3.1978 3.1978 3.1978 5.6573 5.6573 8.4151 8.4151 8.4447 8.4447 8.8523 8.8523 8.8523 8.8523 8.9520 8.9520 k = 0.0122-0.0086 0.0149 ( 6763 PWs) bands (ev): -25.3203 -25.3203 -25.2917 -25.2917 -25.2917 -25.2917 -9.3597 -9.3597 -9.1082 -9.1082 -9.1050 -9.1050 -8.9731 -8.9731 -8.8975 -8.8975 -8.8440 -8.8440 -8.8401 -8.8401 -8.7706 -8.7706 -8.6736 -8.6736 -8.6734 -8.6734 -7.3387 -7.3387 -7.3152 -7.3152 -7.3141 -7.3141 -3.5341 -3.5341 -0.1705 -0.1705 0.0576 0.0576 0.0579 0.0579 2.6510 2.6510 2.6739 2.6739 2.6842 2.6842 2.7738 2.7738 2.7868 2.7868 3.1102 3.1102 3.1951 3.1951 3.1971 3.1971 5.6601 5.6601 8.4112 8.4112 8.4447 8.4447 8.8441 8.8441 8.8490 8.8490 8.9539 8.9539 k = 0.0244-0.0172 0.0299 ( 6763 PWs) bands (ev): -25.3202 -25.3202 -25.2918 -25.2918 -25.2917 -25.2917 -9.3632 -9.3632 -9.1093 -9.1093 -9.1029 -9.1029 -8.9719 -8.9719 -8.8975 -8.8975 -8.8448 -8.8448 -8.8371 -8.8371 -8.7703 -8.7703 -8.6737 -8.6737 -8.6733 -8.6733 -7.3394 -7.3394 -7.3166 -7.3166 -7.3140 -7.3140 -3.5338 -3.5338 -0.1680 -0.1680 0.0599 0.0599 0.0606 0.0606 2.6347 2.6347 2.6687 2.6687 2.6860 2.6860 2.7730 2.7730 2.8076 2.8076 3.1051 3.1051 3.1875 3.1875 3.1949 3.1949 5.6682 5.6682 8.4005 8.4005 8.4438 8.4438 8.8236 8.8236 8.8386 8.8386 8.9600 8.9600 k = 0.0366-0.0259 0.0448 ( 6763 PWs) bands (ev): -25.3201 -25.3201 -25.2920 -25.2920 -25.2917 -25.2917 -9.3686 -9.3686 -9.1101 -9.1101 -9.1005 -9.1005 -8.9699 -8.9699 -8.8975 -8.8975 -8.8449 -8.8449 -8.8334 -8.8334 -8.7698 -8.7698 -8.6738 -8.6738 -8.6731 -8.6731 -7.3409 -7.3409 -7.3184 -7.3184 -7.3140 -7.3140 -3.5332 -3.5332 -0.1640 -0.1640 0.0637 0.0637 0.0651 0.0651 2.6082 2.6082 2.6689 2.6689 2.6884 2.6884 2.7720 2.7720 2.8328 2.8328 3.0960 3.0960 3.1760 3.1760 3.1913 3.1913 5.6815 5.6815 8.3843 8.3843 8.4411 8.4411 8.7964 8.7964 8.8217 8.8217 8.9703 8.9703 k = 0.0488-0.0345 0.0597 ( 6751 PWs) bands (ev): -25.3200 -25.3200 -25.2921 -25.2921 -25.2916 -25.2916 -9.3757 -9.3757 -9.1109 -9.1109 -9.0978 -9.0978 -8.9677 -8.9677 -8.8974 -8.8974 -8.8442 -8.8442 -8.8290 -8.8290 -8.7691 -8.7691 -8.6738 -8.6738 -8.6728 -8.6728 -7.3433 -7.3433 -7.3205 -7.3205 -7.3140 -7.3140 -3.5323 -3.5323 -0.1584 -0.1584 0.0690 0.0690 0.0713 0.0713 2.5777 2.5777 2.6711 2.6711 2.6915 2.6915 2.7702 2.7702 2.8597 2.8597 3.0817 3.0817 3.1623 3.1623 3.1863 3.1863 5.6993 5.6993 8.3637 8.3637 8.4366 8.4366 8.7651 8.7651 8.7987 8.7987 8.9845 8.9845 k = 0.0610-0.0431 0.0747 ( 6743 PWs) bands (ev): -25.3198 -25.3198 -25.2924 -25.2924 -25.2915 -25.2915 -9.3840 -9.3840 -9.1116 -9.1116 -9.0951 -9.0951 -8.9656 -8.9656 -8.8972 -8.8972 -8.8429 -8.8429 -8.8240 -8.8240 -8.7681 -8.7681 -8.6736 -8.6736 -8.6723 -8.6723 -7.3471 -7.3471 -7.3223 -7.3223 -7.3140 -7.3140 -3.5313 -3.5313 -0.1512 -0.1512 0.0758 0.0758 0.0793 0.0793 2.5452 2.5452 2.6744 2.6744 2.6954 2.6954 2.7672 2.7672 2.8870 2.8870 3.0614 3.0614 3.1483 3.1483 3.1799 3.1799 5.7209 5.7209 8.3391 8.3391 8.4306 8.4306 8.7309 8.7309 8.7701 8.7701 9.0024 9.0024 k = 0.0732-0.0517 0.0896 ( 6751 PWs) bands (ev): -25.3196 -25.3196 -25.2927 -25.2927 -25.2915 -25.2915 -9.3932 -9.3932 -9.1124 -9.1124 -9.0925 -9.0925 -8.9640 -8.9640 -8.8969 -8.8969 -8.8409 -8.8409 -8.8186 -8.8186 -8.7668 -8.7668 -8.6732 -8.6732 -8.6714 -8.6714 -7.3523 -7.3523 -7.3238 -7.3238 -7.3140 -7.3140 -3.5300 -3.5300 -0.1425 -0.1425 0.0842 0.0842 0.0890 0.0890 2.5115 2.5115 2.6785 2.6785 2.7000 2.7000 2.7624 2.7624 2.9142 2.9142 3.0350 3.0350 3.1351 3.1351 3.1724 3.1724 5.7456 5.7456 8.3109 8.3110 8.4241 8.4241 8.6942 8.6942 8.7367 8.7367 9.0239 9.0239 k = 0.0854-0.0604 0.1046 ( 6747 PWs) bands (ev): -25.3193 -25.3193 -25.2930 -25.2930 -25.2914 -25.2914 -9.4029 -9.4029 -9.1132 -9.1132 -9.0899 -9.0899 -8.9630 -8.9630 -8.8964 -8.8964 -8.8385 -8.8385 -8.8131 -8.8131 -8.7651 -8.7651 -8.6726 -8.6726 -8.6697 -8.6697 -7.3590 -7.3590 -7.3247 -7.3247 -7.3141 -7.3141 -3.5285 -3.5285 -0.1322 -0.1322 0.0940 0.0940 0.1003 0.1003 2.4771 2.4771 2.6831 2.6831 2.7051 2.7051 2.7549 2.7549 2.9410 2.9410 3.0041 3.0041 3.1229 3.1229 3.1638 3.1638 5.7724 5.7724 8.2797 8.2797 8.4180 8.4180 8.6553 8.6553 8.6991 8.6991 9.0486 9.0486 k = 0.0976-0.0690 0.1195 ( 6755 PWs) bands (ev): -25.3190 -25.3190 -25.2934 -25.2934 -25.2913 -25.2913 -9.4127 -9.4127 -9.1141 -9.1141 -9.0876 -9.0876 -8.9629 -8.9629 -8.8957 -8.8957 -8.8357 -8.8357 -8.8080 -8.8080 -8.7633 -8.7633 -8.6721 -8.6721 -8.6665 -8.6665 -7.3669 -7.3669 -7.3253 -7.3253 -7.3142 -7.3142 -3.5267 -3.5267 -0.1204 -0.1204 0.1055 0.1055 0.1133 0.1133 2.4420 2.4420 2.6881 2.6881 2.7105 2.7105 2.7433 2.7433 2.9673 2.9673 2.9709 2.9709 3.1114 3.1114 3.1543 3.1543 5.8005 5.8005 8.2456 8.2456 8.4133 8.4133 8.6147 8.6147 8.6580 8.6580 9.0762 9.0762 k = 0.1098-0.0776 0.1344 ( 6751 PWs) bands (ev): -25.3187 -25.3187 -25.2938 -25.2938 -25.2912 -25.2912 -9.4224 -9.4224 -9.1152 -9.1152 -9.0856 -9.0856 -8.9636 -8.9636 -8.8947 -8.8947 -8.8327 -8.8327 -8.8036 -8.8036 -8.7614 -8.7614 -8.6717 -8.6717 -8.6615 -8.6615 -7.3757 -7.3757 -7.3255 -7.3255 -7.3142 -7.3142 -3.5248 -3.5248 -0.1072 -0.1072 0.1184 0.1184 0.1278 0.1278 2.4066 2.4066 2.6932 2.6932 2.7159 2.7159 2.7263 2.7263 2.9380 2.9380 2.9930 2.9930 3.1003 3.1003 3.1441 3.1441 5.8291 5.8291 8.2093 8.2093 8.4106 8.4107 8.5728 8.5728 8.6141 8.6141 9.1062 9.1062 k = 0.1220-0.0862 0.1494 ( 6751 PWs) bands (ev): -25.3184 -25.3184 -25.2943 -25.2943 -25.2910 -25.2910 -9.4317 -9.4317 -9.1165 -9.1165 -9.0838 -9.0838 -8.9651 -8.9651 -8.8934 -8.8934 -8.8294 -8.8294 -8.8001 -8.8001 -8.7599 -8.7599 -8.6712 -8.6712 -8.6545 -8.6545 -7.3852 -7.3852 -7.3255 -7.3255 -7.3143 -7.3143 -3.5227 -3.5227 -0.0925 -0.0925 0.1329 0.1329 0.1438 0.1438 2.3710 2.3710 2.6966 2.6966 2.7022 2.7022 2.7223 2.7223 2.9079 2.9079 3.0179 3.0179 3.0898 3.0898 3.1336 3.1336 5.8573 5.8573 8.1712 8.1712 8.4103 8.4103 8.5304 8.5304 8.5681 8.5681 9.1380 9.1380 k = 0.1341-0.0949 0.1643 ( 6743 PWs) bands (ev): -25.3180 -25.3180 -25.2948 -25.2948 -25.2908 -25.2908 -9.4404 -9.4404 -9.1180 -9.1180 -9.0824 -9.0824 -8.9674 -8.9674 -8.8918 -8.8918 -8.8260 -8.8260 -8.7976 -8.7976 -8.7591 -8.7591 -8.6708 -8.6708 -8.6455 -8.6455 -7.3952 -7.3952 -7.3254 -7.3254 -7.3143 -7.3143 -3.5204 -3.5204 -0.0765 -0.0765 0.1488 0.1488 0.1612 0.1612 2.3352 2.3352 2.6674 2.6674 2.7029 2.7029 2.7273 2.7273 2.8820 2.8820 3.0417 3.0417 3.0804 3.0804 3.1230 3.1230 5.8845 5.8845 8.1315 8.1315 8.4108 8.4108 8.4901 8.4901 8.5205 8.5205 9.1709 9.1709 k = 0.1463-0.1035 0.1792 ( 6751 PWs) bands (ev): -25.3177 -25.3177 -25.2953 -25.2953 -25.2907 -25.2907 -9.4484 -9.4484 -9.1196 -9.1196 -9.0814 -9.0814 -8.9702 -8.9702 -8.8900 -8.8900 -8.8225 -8.8225 -8.7959 -8.7959 -8.7591 -8.7591 -8.6703 -8.6703 -8.6349 -8.6349 -7.4053 -7.4053 -7.3251 -7.3251 -7.3144 -7.3144 -3.5180 -3.5180 -0.0591 -0.0591 0.1662 0.1662 0.1800 0.1800 2.2993 2.2993 2.6267 2.6267 2.7062 2.7062 2.7315 2.7315 2.8603 2.8603 3.0604 3.0604 3.0762 3.0762 3.1130 3.1130 5.9098 5.9098 8.0909 8.0909 8.4025 8.4025 8.4621 8.4621 8.4720 8.4720 9.2029 9.2029 k = 0.1585-0.1121 0.1942 ( 6743 PWs) bands (ev): -25.3173 -25.3173 -25.2959 -25.2959 -25.2905 -25.2905 -9.4554 -9.4554 -9.1215 -9.1215 -9.0808 -9.0808 -8.9736 -8.9736 -8.8877 -8.8877 -8.8189 -8.8189 -8.7950 -8.7950 -8.7598 -8.7598 -8.6699 -8.6699 -8.6232 -8.6232 -7.4154 -7.4154 -7.3248 -7.3248 -7.3144 -7.3144 -3.5154 -3.5154 -0.0405 -0.0405 0.1851 0.1851 0.2000 0.2000 2.2636 2.2636 2.5800 2.5800 2.7079 2.7079 2.7343 2.7343 2.8415 2.8415 3.0595 3.0595 3.0918 3.0918 3.1045 3.1046 5.9330 5.9330 8.0495 8.0495 8.3716 8.3716 8.4226 8.4226 8.4613 8.4613 9.2311 9.2311 k = 0.1707-0.1207 0.2091 ( 6743 PWs) bands (ev): -25.3169 -25.3169 -25.2965 -25.2965 -25.2903 -25.2903 -9.4615 -9.4615 -9.1235 -9.1235 -9.0806 -9.0806 -8.9774 -8.9774 -8.8852 -8.8852 -8.8152 -8.8152 -8.7947 -8.7947 -8.7611 -8.7611 -8.6694 -8.6694 -8.6111 -8.6111 -7.4250 -7.4250 -7.3243 -7.3243 -7.3144 -7.3144 -3.5127 -3.5127 -0.0206 -0.0206 0.2053 0.2053 0.2213 0.2213 2.2280 2.2280 2.5290 2.5290 2.7075 2.7075 2.7351 2.7351 2.8243 2.8243 3.0545 3.0545 3.0959 3.0959 3.1147 3.1147 5.9535 5.9535 8.0079 8.0079 8.3292 8.3292 8.3733 8.3733 8.4763 8.4763 9.2587 9.2587 k = 0.1829-0.1293 0.2240 ( 6739 PWs) bands (ev): -25.3165 -25.3165 -25.2971 -25.2971 -25.2900 -25.2900 -9.4664 -9.4664 -9.1258 -9.1258 -9.0809 -9.0809 -8.9815 -8.9815 -8.8824 -8.8824 -8.8115 -8.8115 -8.7950 -8.7950 -8.7626 -8.7626 -8.6690 -8.6690 -8.5992 -8.5992 -7.4341 -7.4341 -7.3238 -7.3238 -7.3144 -7.3144 -3.5098 -3.5098 0.0004 0.0004 0.2269 0.2269 0.2436 0.2436 2.1926 2.1926 2.4753 2.4753 2.7043 2.7043 2.7333 2.7333 2.8073 2.8073 3.0513 3.0513 3.0911 3.0911 3.1359 3.1359 5.9709 5.9709 7.9662 7.9662 8.2841 8.2841 8.3243 8.3243 8.4986 8.4986 9.2866 9.2867 k = 0.1951-0.1380 0.2390 ( 6739 PWs) bands (ev): -25.3161 -25.3161 -25.2977 -25.2977 -25.2898 -25.2898 -9.4702 -9.4702 -9.1282 -9.1282 -9.0817 -9.0817 -8.9859 -8.9859 -8.8793 -8.8793 -8.8080 -8.8080 -8.7957 -8.7957 -8.7642 -8.7642 -8.6685 -8.6685 -8.5882 -8.5882 -7.4421 -7.4421 -7.3233 -7.3233 -7.3144 -7.3144 -3.5069 -3.5069 0.0224 0.0224 0.2497 0.2497 0.2670 0.2670 2.1577 2.1577 2.4203 2.4203 2.6978 2.6978 2.7283 2.7283 2.7898 2.7898 3.0509 3.0509 3.0891 3.0891 3.1569 3.1569 5.9852 5.9852 7.9249 7.9249 8.2384 8.2384 8.2758 8.2758 8.5260 8.5260 9.3153 9.3153 k = 0.2073-0.1466 0.2539 ( 6755 PWs) bands (ev): -25.3157 -25.3157 -25.2984 -25.2984 -25.2895 -25.2895 -9.4727 -9.4727 -9.1308 -9.1308 -9.0830 -9.0830 -8.9906 -8.9906 -8.8761 -8.8761 -8.8050 -8.8050 -8.7963 -8.7963 -8.7657 -8.7657 -8.6680 -8.6680 -8.5785 -8.5785 -7.4491 -7.4491 -7.3227 -7.3227 -7.3143 -7.3143 -3.5040 -3.5040 0.0455 0.0455 0.2737 0.2737 0.2913 0.2913 2.1231 2.1231 2.3647 2.3647 2.6879 2.6879 2.7197 2.7197 2.7710 2.7710 3.0537 3.0537 3.0904 3.0904 3.1772 3.1772 5.9962 5.9962 7.8841 7.8841 8.1930 8.1930 8.2282 8.2282 8.5572 8.5572 9.3381 9.3381 k = 0.2195-0.1552 0.2688 ( 6743 PWs) bands (ev): -25.3153 -25.3153 -25.2991 -25.2991 -25.2892 -25.2892 -9.4739 -9.4739 -9.1336 -9.1336 -9.0847 -9.0847 -8.9954 -8.9954 -8.8727 -8.8727 -8.8039 -8.8039 -8.7954 -8.7954 -8.7670 -8.7670 -8.6675 -8.6675 -8.5705 -8.5705 -7.4546 -7.4546 -7.3221 -7.3221 -7.3143 -7.3143 -3.5010 -3.5010 0.0695 0.0695 0.2987 0.2987 0.3165 0.3165 2.0892 2.0892 2.3092 2.3092 2.6744 2.6744 2.7075 2.7075 2.7507 2.7507 3.0598 3.0598 3.0951 3.0951 3.1969 3.1969 6.0037 6.0037 7.8442 7.8442 8.1484 8.1484 8.1817 8.1817 8.5912 8.5912 9.3498 9.3498 k = 0.2317-0.1638 0.2838 ( 6759 PWs) bands (ev): -25.3149 -25.3149 -25.2998 -25.2998 -25.2889 -25.2889 -9.4738 -9.4738 -9.1365 -9.1365 -9.0869 -9.0869 -9.0003 -9.0003 -8.8693 -8.8693 -8.8051 -8.8051 -8.7925 -8.7925 -8.7680 -8.7680 -8.6670 -8.6670 -8.5646 -8.5646 -7.4584 -7.4584 -7.3215 -7.3215 -7.3141 -7.3141 -3.4979 -3.4979 0.0942 0.0942 0.3248 0.3248 0.3423 0.3423 2.0558 2.0558 2.2545 2.2545 2.6575 2.6575 2.6916 2.6916 2.7286 2.7286 3.0692 3.0692 3.1034 3.1034 3.2160 3.2160 6.0078 6.0078 7.8053 7.8053 8.1049 8.1049 8.1364 8.1364 8.6272 8.6272 9.3546 9.3546 k = 0.2439-0.1725 0.2987 ( 6751 PWs) bands (ev): -25.3144 -25.3144 -25.3005 -25.3005 -25.2887 -25.2887 -9.4724 -9.4724 -9.1395 -9.1395 -9.0895 -9.0895 -9.0054 -9.0054 -8.8659 -8.8659 -8.8073 -8.8073 -8.7887 -8.7887 -8.7688 -8.7688 -8.6664 -8.6664 -8.5611 -8.5611 -7.4605 -7.4605 -7.3209 -7.3209 -7.3140 -7.3140 -3.4949 -3.4949 0.1197 0.1197 0.3518 0.3518 0.3688 0.3688 2.0232 2.0232 2.2009 2.2009 2.6376 2.6376 2.6724 2.6724 2.7047 2.7047 3.0815 3.0815 3.1148 3.1148 3.2343 3.2343 6.0085 6.0085 7.7677 7.7677 8.0627 8.0627 8.0927 8.0927 8.6642 8.6642 9.3527 9.3527 k = 0.2561-0.1811 0.3137 ( 6751 PWs) bands (ev): -25.3141 -25.3141 -25.3012 -25.3012 -25.2883 -25.2883 -9.4695 -9.4695 -9.1426 -9.1426 -9.0925 -9.0925 -9.0106 -9.0106 -8.8627 -8.8627 -8.8098 -8.8098 -8.7845 -8.7845 -8.7693 -8.7693 -8.6658 -8.6658 -8.5601 -8.5601 -7.4607 -7.4607 -7.3203 -7.3203 -7.3138 -7.3138 -3.4919 -3.4919 0.1457 0.1457 0.3795 0.3795 0.3958 0.3958 1.9915 1.9915 2.1488 2.1488 2.6150 2.6150 2.6503 2.6503 2.6790 2.6790 3.0964 3.0964 3.1290 3.1290 3.2520 3.2520 6.0058 6.0058 7.7314 7.7314 8.0220 8.0220 8.0505 8.0505 8.7012 8.7012 9.3447 9.3447 k = 0.2683-0.1897 0.3286 ( 6751 PWs) bands (ev): -25.3137 -25.3137 -25.3019 -25.3019 -25.2880 -25.2880 -9.4653 -9.4653 -9.1457 -9.1457 -9.0958 -9.0958 -9.0159 -9.0159 -8.8599 -8.8599 -8.8122 -8.8122 -8.7801 -8.7801 -8.7697 -8.7697 -8.6651 -8.6651 -8.5617 -8.5617 -7.4590 -7.4590 -7.3197 -7.3197 -7.3135 -7.3135 -3.4890 -3.4890 0.1721 0.1721 0.4078 0.4078 0.4232 0.4232 1.9606 1.9606 2.0986 2.0986 2.5902 2.5902 2.6258 2.6258 2.6517 2.6517 3.1133 3.1133 3.1455 3.1455 3.2689 3.2689 5.9999 5.9999 7.6968 7.6968 7.9831 7.9831 8.0101 8.0101 8.7375 8.7375 9.3315 9.3315 k = 0.2805-0.1983 0.3435 ( 6747 PWs) bands (ev): -25.3133 -25.3133 -25.3026 -25.3026 -25.2877 -25.2877 -9.4597 -9.4597 -9.1489 -9.1489 -9.0994 -9.0994 -9.0214 -9.0214 -8.8576 -8.8576 -8.8143 -8.8143 -8.7759 -8.7759 -8.7699 -8.7699 -8.6644 -8.6644 -8.5659 -8.5659 -7.4554 -7.4554 -7.3191 -7.3191 -7.3132 -7.3132 -3.4861 -3.4861 0.1989 0.1989 0.4366 0.4366 0.4509 0.4509 1.9308 1.9308 2.0504 2.0504 2.5634 2.5634 2.5994 2.5994 2.6230 2.6230 3.1321 3.1321 3.1639 3.1639 3.2852 3.2852 5.9909 5.9909 7.6637 7.6637 7.9459 7.9459 7.9715 7.9715 8.7723 8.7723 9.3142 9.3142 k = 0.2927-0.2070 0.3585 ( 6747 PWs) bands (ev): -25.3129 -25.3129 -25.3032 -25.3032 -25.2874 -25.2874 -9.4527 -9.4527 -9.1522 -9.1522 -9.1032 -9.1032 -9.0269 -9.0269 -8.8562 -8.8562 -8.8158 -8.8158 -8.7726 -8.7726 -8.7692 -8.7692 -8.6636 -8.6636 -8.5726 -8.5726 -7.4501 -7.4501 -7.3186 -7.3186 -7.3129 -7.3129 -3.4834 -3.4834 0.2258 0.2258 0.4658 0.4658 0.4787 0.4787 1.9020 1.9020 2.0045 2.0045 2.5352 2.5352 2.5715 2.5715 2.5931 2.5931 3.1521 3.1521 3.1838 3.1838 3.3007 3.3007 5.9791 5.9791 7.6324 7.6324 7.9108 7.9108 7.9347 7.9347 8.8052 8.8052 9.2937 9.2937 k = 0.3049-0.2156 0.3734 ( 6755 PWs) bands (ev): -25.3126 -25.3126 -25.3039 -25.3039 -25.2871 -25.2871 -9.4443 -9.4443 -9.1554 -9.1554 -9.1071 -9.1071 -9.0326 -9.0326 -8.8557 -8.8556 -8.8166 -8.8166 -8.7719 -8.7719 -8.7658 -8.7658 -8.6627 -8.6627 -8.5815 -8.5815 -7.4431 -7.4431 -7.3181 -7.3181 -7.3125 -7.3125 -3.4808 -3.4808 0.2526 0.2526 0.4950 0.4950 0.5066 0.5066 1.8744 1.8744 1.9611 1.9611 2.5059 2.5059 2.5426 2.5426 2.5623 2.5623 3.1731 3.1731 3.2047 3.2047 3.3155 3.3155 5.9645 5.9645 7.6029 7.6029 7.8776 7.8776 7.8999 7.8999 8.8356 8.8356 9.2709 9.2709 k = 0.3171-0.2242 0.3883 ( 6751 PWs) bands (ev): -25.3123 -25.3123 -25.3045 -25.3045 -25.2867 -25.2867 -9.4346 -9.4346 -9.1585 -9.1585 -9.1111 -9.1111 -9.0383 -9.0383 -8.8562 -8.8562 -8.8167 -8.8167 -8.7723 -8.7723 -8.7615 -8.7615 -8.6617 -8.6617 -8.5924 -8.5924 -7.4347 -7.4347 -7.3177 -7.3177 -7.3120 -7.3120 -3.4783 -3.4783 0.2793 0.2793 0.5242 0.5242 0.5343 0.5343 1.8480 1.8480 1.9204 1.9204 2.4758 2.4758 2.5129 2.5129 2.5310 2.5310 3.1947 3.1947 3.2263 3.2263 3.3295 3.3295 5.9477 5.9477 7.5752 7.5752 7.8465 7.8465 7.8672 7.8672 8.8635 8.8635 9.2467 9.2467 k = 0.3293-0.2328 0.4033 ( 6739 PWs) bands (ev): -25.3120 -25.3120 -25.3051 -25.3051 -25.2864 -25.2864 -9.4236 -9.4236 -9.1616 -9.1616 -9.1152 -9.1152 -9.0442 -9.0442 -8.8578 -8.8578 -8.8160 -8.8160 -8.7729 -8.7729 -8.7573 -8.7573 -8.6606 -8.6606 -8.6048 -8.6048 -7.4252 -7.4252 -7.3173 -7.3173 -7.3115 -7.3115 -3.4760 -3.4760 0.3056 0.3056 0.5532 0.5532 0.5617 0.5617 1.8230 1.8230 1.8824 1.8824 2.4452 2.4452 2.4830 2.4830 2.4994 2.4994 3.2166 3.2166 3.2482 3.2482 3.3428 3.3428 5.9288 5.9288 7.5494 7.5494 7.8174 7.8175 7.8364 7.8364 8.8884 8.8884 9.2216 9.2216 k = 0.3415-0.2415 0.4182 ( 6763 PWs) bands (ev): -25.3117 -25.3117 -25.3058 -25.3058 -25.2861 -25.2861 -9.4113 -9.4113 -9.1646 -9.1646 -9.1192 -9.1192 -9.0502 -9.0502 -8.8604 -8.8604 -8.8147 -8.8147 -8.7739 -8.7739 -8.7531 -8.7531 -8.6595 -8.6595 -8.6185 -8.6185 -7.4148 -7.4148 -7.3169 -7.3169 -7.3109 -7.3109 -3.4738 -3.4738 0.3314 0.3314 0.5817 0.5817 0.5887 0.5887 1.7993 1.7993 1.8472 1.8472 2.4145 2.4145 2.4532 2.4532 2.4679 2.4679 3.2385 3.2385 3.2702 3.2702 3.3554 3.3554 5.9084 5.9084 7.5253 7.5253 7.7905 7.7905 7.8077 7.8077 8.9104 8.9104 9.1962 9.1962 k = 0.3537-0.2501 0.4331 ( 6751 PWs) bands (ev): -25.3114 -25.3114 -25.3063 -25.3063 -25.2858 -25.2858 -9.3978 -9.3978 -9.1674 -9.1674 -9.1232 -9.1232 -9.0563 -9.0563 -8.8639 -8.8639 -8.8131 -8.8131 -8.7750 -8.7750 -8.7492 -8.7492 -8.6582 -8.6582 -8.6328 -8.6328 -7.4038 -7.4038 -7.3166 -7.3166 -7.3104 -7.3104 -3.4718 -3.4718 0.3564 0.3564 0.6095 0.6095 0.6151 0.6151 1.7771 1.7771 1.8150 1.8150 2.3840 2.3840 2.4238 2.4238 2.4368 2.4368 3.2600 3.2600 3.2919 3.2919 3.3672 3.3672 5.8867 5.8867 7.5031 7.5032 7.7657 7.7657 7.7810 7.7810 8.9294 8.9294 9.1710 9.1710 k = 0.3659-0.2587 0.4481 ( 6743 PWs) bands (ev): -25.3112 -25.3112 -25.3069 -25.3069 -25.2855 -25.2855 -9.3831 -9.3831 -9.1701 -9.1701 -9.1271 -9.1271 -9.0627 -9.0627 -8.8682 -8.8682 -8.8114 -8.8114 -8.7766 -8.7766 -8.7455 -8.7455 -8.6571 -8.6571 -8.6471 -8.6471 -7.3924 -7.3924 -7.3163 -7.3163 -7.3099 -7.3099 -3.4700 -3.4700 0.3805 0.3805 0.6364 0.6364 0.6407 0.6407 1.7565 1.7565 1.7857 1.7857 2.3541 2.3541 2.3951 2.3951 2.4065 2.4065 3.2809 3.2809 3.3131 3.3131 3.3782 3.3782 5.8644 5.8644 7.4828 7.4828 7.7430 7.7430 7.7564 7.7564 8.9455 8.9455 9.1465 9.1465 k = 0.3780-0.2673 0.4630 ( 6743 PWs) bands (ev): -25.3109 -25.3109 -25.3073 -25.3073 -25.2852 -25.2852 -9.3673 -9.3673 -9.1727 -9.1727 -9.1307 -9.1307 -9.0692 -9.0692 -8.8735 -8.8735 -8.8095 -8.8095 -8.7784 -8.7784 -8.7420 -8.7420 -8.6622 -8.6622 -8.6547 -8.6547 -7.3811 -7.3811 -7.3159 -7.3159 -7.3093 -7.3093 -3.4683 -3.4683 0.4035 0.4035 0.6620 0.6620 0.6652 0.6652 1.7374 1.7374 1.7594 1.7594 2.3251 2.3251 2.3674 2.3674 2.3773 2.3773 3.3009 3.3009 3.3335 3.3335 3.3885 3.3885 5.8419 5.8419 7.4642 7.4642 7.7224 7.7224 7.7339 7.7339 8.9588 8.9588 9.1229 9.1229 k = 0.3902-0.2759 0.4779 ( 6726 PWs) bands (ev): -25.3107 -25.3107 -25.3078 -25.3078 -25.2849 -25.2849 -9.3506 -9.3506 -9.1750 -9.1750 -9.1342 -9.1342 -9.0761 -9.0761 -8.8798 -8.8798 -8.8077 -8.8077 -8.7807 -8.7807 -8.7389 -8.7389 -8.6750 -8.6750 -8.6536 -8.6536 -7.3701 -7.3701 -7.3156 -7.3156 -7.3088 -7.3088 -3.4669 -3.4669 0.4251 0.4251 0.6862 0.6862 0.6886 0.6886 1.7199 1.7199 1.7361 1.7361 2.2972 2.2972 2.3412 2.3412 2.3496 2.3496 3.3197 3.3197 3.3528 3.3528 3.3980 3.3980 5.8197 5.8197 7.4474 7.4474 7.7038 7.7038 7.7136 7.7136 8.9695 8.9695 9.1006 9.1006 k = 0.4024-0.2846 0.4929 ( 6726 PWs) bands (ev): -25.3105 -25.3105 -25.3082 -25.3082 -25.2846 -25.2846 -9.3330 -9.3330 -9.1771 -9.1771 -9.1374 -9.1374 -9.0834 -9.0834 -8.8869 -8.8869 -8.8060 -8.8060 -8.7833 -8.7833 -8.7361 -8.7361 -8.6867 -8.6867 -8.6522 -8.6522 -7.3595 -7.3595 -7.3152 -7.3152 -7.3083 -7.3083 -3.4656 -3.4656 0.4452 0.4452 0.7087 0.7087 0.7104 0.7104 1.7042 1.7042 1.7156 1.7156 2.2710 2.2710 2.3166 2.3166 2.3236 2.3236 3.3370 3.3370 3.3708 3.3708 3.4068 3.4068 5.7982 5.7982 7.4324 7.4324 7.6873 7.6873 7.6953 7.6953 8.9777 8.9777 9.0799 9.0799 k = 0.4146-0.2932 0.5078 ( 6734 PWs) bands (ev): -25.3104 -25.3104 -25.3086 -25.3086 -25.2844 -25.2844 -9.3146 -9.3146 -9.1791 -9.1791 -9.1403 -9.1403 -9.0913 -9.0913 -8.8950 -8.8950 -8.8045 -8.8045 -8.7861 -8.7861 -8.7337 -8.7337 -8.6967 -8.6967 -8.6508 -8.6508 -7.3498 -7.3498 -7.3147 -7.3147 -7.3079 -7.3079 -3.4645 -3.4645 0.4635 0.4635 0.7293 0.7293 0.7306 0.7306 1.6902 1.6902 1.6979 1.6979 2.2468 2.2468 2.2941 2.2941 2.2997 2.2997 3.3526 3.3526 3.3873 3.3873 3.4149 3.4149 5.7779 5.7779 7.4191 7.4191 7.6727 7.6727 7.6792 7.6792 8.9839 8.9839 9.0611 9.0611 k = 0.4268-0.3018 0.5228 ( 6734 PWs) bands (ev): -25.3103 -25.3103 -25.3089 -25.3089 -25.2842 -25.2842 -9.2957 -9.2957 -9.1808 -9.1808 -9.1430 -9.1430 -9.0999 -9.0999 -8.9036 -8.9036 -8.8031 -8.8031 -8.7891 -8.7891 -8.7316 -8.7316 -8.7049 -8.7049 -8.6495 -8.6495 -7.3412 -7.3412 -7.3141 -7.3141 -7.3075 -7.3075 -3.4636 -3.4636 0.4798 0.4798 0.7476 0.7476 0.7488 0.7488 1.6780 1.6780 1.6830 1.6830 2.2248 2.2248 2.2738 2.2738 2.2783 2.2783 3.3663 3.3663 3.4020 3.4020 3.4222 3.4222 5.7594 5.7594 7.4077 7.4077 7.6602 7.6602 7.6652 7.6652 8.9884 8.9884 9.0443 9.0443 k = 0.4390-0.3104 0.5377 ( 6718 PWs) bands (ev): -25.3101 -25.3101 -25.3092 -25.3092 -25.2840 -25.2840 -9.2763 -9.2763 -9.1822 -9.1822 -9.1454 -9.1454 -9.1094 -9.1094 -8.9123 -8.9123 -8.8019 -8.8019 -8.7918 -8.7918 -8.7299 -8.7299 -8.7114 -8.7114 -8.6482 -8.6482 -7.3339 -7.3339 -7.3133 -7.3133 -7.3071 -7.3071 -3.4628 -3.4628 0.4940 0.4940 0.7636 0.7636 0.7647 0.7647 1.6676 1.6676 1.6706 1.6706 2.2056 2.2056 2.2561 2.2561 2.2596 2.2596 3.3779 3.3779 3.4148 3.4148 3.4288 3.4288 5.7429 5.7429 7.3979 7.3979 7.6496 7.6496 7.6533 7.6533 8.9914 8.9914 9.0298 9.0298 k = 0.4512-0.3191 0.5526 ( 6698 PWs) bands (ev): -25.3100 -25.3100 -25.3094 -25.3094 -25.2839 -25.2839 -9.2566 -9.2566 -9.1834 -9.1834 -9.1476 -9.1476 -9.1199 -9.1199 -8.9207 -8.9207 -8.8008 -8.8008 -8.7943 -8.7943 -8.7284 -8.7284 -8.7162 -8.7162 -8.6471 -8.6471 -7.3283 -7.3283 -7.3120 -7.3120 -7.3068 -7.3068 -3.4621 -3.4621 0.5059 0.5059 0.7771 0.7771 0.7780 0.7780 1.6590 1.6590 1.6607 1.6607 2.1893 2.1893 2.2412 2.2412 2.2438 2.2438 3.3874 3.3874 3.4255 3.4255 3.4344 3.4344 5.7290 5.7290 7.3899 7.3899 7.6410 7.6410 7.6436 7.6436 8.9934 8.9934 9.0177 9.0177 k = 0.4634-0.3277 0.5676 ( 6706 PWs) bands (ev): -25.3099 -25.3099 -25.3096 -25.3096 -25.2838 -25.2838 -9.2371 -9.2371 -9.1844 -9.1844 -9.1500 -9.1500 -9.1313 -9.1313 -8.9280 -8.9280 -8.8000 -8.8000 -8.7963 -8.7963 -8.7273 -8.7273 -8.7198 -8.7198 -8.6463 -8.6463 -7.3245 -7.3245 -7.3104 -7.3104 -7.3066 -7.3066 -3.4617 -3.4617 0.5154 0.5154 0.7878 0.7878 0.7885 0.7885 1.6523 1.6523 1.6532 1.6532 2.1763 2.1763 2.2295 2.2295 2.2313 2.2313 3.3946 3.3946 3.4340 3.4340 3.4391 3.4391 5.7177 5.7177 7.3837 7.3837 7.6344 7.6344 7.6360 7.6360 8.9946 8.9946 9.0081 9.0081 k = 0.4756-0.3363 0.5825 ( 6714 PWs) bands (ev): -25.3099 -25.3099 -25.3098 -25.3098 -25.2836 -25.2836 -9.2179 -9.2179 -9.1850 -9.1850 -9.1546 -9.1546 -9.1415 -9.1415 -8.9338 -8.9338 -8.7995 -8.7995 -8.7978 -8.7978 -8.7264 -8.7264 -8.7222 -8.7222 -8.6456 -8.6456 -7.3223 -7.3223 -7.3086 -7.3086 -7.3065 -7.3065 -3.4613 -3.4613 0.5222 0.5222 0.7957 0.7957 0.7962 0.7962 1.6475 1.6475 1.6479 1.6479 2.1668 2.1668 2.2210 2.2210 2.2221 2.2221 3.3997 3.3997 3.4401 3.4401 3.4427 3.4427 5.7096 5.7096 7.3793 7.3793 7.6296 7.6296 7.6305 7.6305 8.9952 8.9952 9.0012 9.0012 k = 0.4878-0.3449 0.5974 ( 6698 PWs) bands (ev): -25.3099 -25.3099 -25.3098 -25.3098 -25.2835 -25.2835 -9.1995 -9.1995 -9.1854 -9.1854 -9.1655 -9.1655 -9.1461 -9.1461 -8.9374 -8.9374 -8.7991 -8.7991 -8.7987 -8.7987 -8.7256 -8.7256 -8.7238 -8.7238 -8.6452 -8.6452 -7.3212 -7.3212 -7.3072 -7.3072 -7.3064 -7.3064 -3.4611 -3.4611 0.5263 0.5263 0.8005 0.8005 0.8007 0.8007 1.6447 1.6447 1.6448 1.6448 2.1610 2.1610 2.2159 2.2159 2.2164 2.2164 3.4027 3.4027 3.4439 3.4439 3.4448 3.4448 5.7046 5.7046 7.3766 7.3766 7.6268 7.6268 7.6272 7.6272 8.9956 8.9956 8.9971 8.9971 k = 0.5000-0.3536 0.6124 ( 6698 PWs) bands (ev): -25.3099 -25.3099 -25.3099 -25.3099 -25.2835 -25.2835 -9.1856 -9.1856 -9.1856 -9.1856 -9.1775 -9.1775 -9.1471 -9.1471 -8.9386 -8.9386 -8.7990 -8.7990 -8.7990 -8.7990 -8.7249 -8.7249 -8.7249 -8.7249 -8.6451 -8.6451 -7.3209 -7.3209 -7.3065 -7.3065 -7.3065 -7.3065 -3.4611 -3.4611 0.5277 0.5277 0.8022 0.8022 0.8022 0.8022 1.6437 1.6437 1.6437 1.6437 2.1591 2.1591 2.2144 2.2144 2.2144 2.2144 3.4036 3.4036 3.4453 3.4453 3.4454 3.4454 5.7029 5.7029 7.3757 7.3757 7.6260 7.6260 7.6260 7.6260 8.9957 8.9957 8.9957 8.9957 k = 0.5000-0.3536 0.6124 ( 6698 PWs) bands (ev): -25.3099 -25.3099 -25.3099 -25.3099 -25.2835 -25.2835 -9.1856 -9.1856 -9.1856 -9.1856 -9.1775 -9.1775 -9.1471 -9.1471 -8.9386 -8.9386 -8.7990 -8.7990 -8.7990 -8.7990 -8.7249 -8.7249 -8.7249 -8.7249 -8.6451 -8.6451 -7.3209 -7.3209 -7.3065 -7.3065 -7.3065 -7.3065 -3.4611 -3.4611 0.5277 0.5277 0.8022 0.8022 0.8022 0.8022 1.6437 1.6437 1.6437 1.6437 2.1591 2.1591 2.2144 2.2144 2.2144 2.2144 3.4036 3.4036 3.4453 3.4453 3.4454 3.4454 5.7029 5.7029 7.3757 7.3757 7.6260 7.6260 7.6260 7.6260 8.9957 8.9957 8.9957 8.9957 k = 0.4828-0.3414 0.6124 ( 6698 PWs) bands (ev): -25.3099 -25.3099 -25.3099 -25.3099 -25.2835 -25.2835 -9.1998 -9.1995 -9.1861 -9.1846 -9.1658 -9.1653 -9.1463 -9.1460 -8.9374 -8.9373 -8.7991 -8.7990 -8.7988 -8.7987 -8.7260 -8.7249 -8.7243 -8.7237 -8.6452 -8.6452 -7.3212 -7.3212 -7.3074 -7.3068 -7.3067 -7.3064 -3.4611 -3.4611 0.5263 0.5263 0.7998 0.7998 0.8013 0.8016 1.6447 1.6447 1.6447 1.6448 2.1610 2.1610 2.2152 2.2160 2.2166 2.2168 3.4026 3.4027 3.4436 3.4444 3.4446 3.4448 5.7046 5.7046 7.3766 7.3766 7.6264 7.6269 7.6273 7.6274 8.9959 8.9960 8.9966 8.9968 k = 0.4655-0.3292 0.6124 ( 6712 PWs) bands (ev): -25.3099 -25.3099 -25.3098 -25.3098 -25.2836 -25.2836 -9.2185 -9.2180 -9.1860 -9.1830 -9.1557 -9.1533 -9.1429 -9.1407 -8.9340 -8.9335 -8.7993 -8.7991 -8.7982 -8.7980 -8.7273 -8.7242 -8.7235 -8.7222 -8.6456 -8.6456 -7.3222 -7.3221 -7.3090 -7.3075 -7.3073 -7.3066 -3.4613 -3.4613 0.5221 0.5222 0.7927 0.7927 0.7989 0.7996 1.6475 1.6476 1.6478 1.6480 2.1665 2.1666 2.2187 2.2201 2.2236 2.2241 3.3996 3.3997 3.4396 3.4415 3.4419 3.4426 5.7095 5.7095 7.3792 7.3794 7.6281 7.6292 7.6315 7.6315 8.9966 8.9969 8.9996 8.9999 k = 0.4483-0.3170 0.6124 ( 6710 PWs) bands (ev): -25.3098 -25.3098 -25.3097 -25.3097 -25.2838 -25.2838 -9.2383 -9.2375 -9.1855 -9.1809 -9.1516 -9.1476 -9.1342 -9.1299 -8.9287 -8.9272 -8.7996 -8.7993 -8.7973 -8.7966 -8.7287 -8.7227 -8.7227 -8.7200 -8.6463 -8.6463 -7.3240 -7.3238 -7.3113 -7.3091 -7.3079 -7.3069 -3.4617 -3.4617 0.5149 0.5153 0.7809 0.7814 0.7952 0.7964 1.6524 1.6524 1.6529 1.6533 2.1750 2.1754 2.2248 2.2268 2.2353 2.2362 3.3946 3.3947 3.4331 3.4360 3.4379 3.4390 5.7176 5.7177 7.3833 7.3840 7.6311 7.6329 7.6381 7.6387 8.9980 8.9984 9.0046 9.0051 k = 0.4310-0.3048 0.6124 ( 6704 PWs) bands (ev): -25.3098 -25.3098 -25.3096 -25.3096 -25.2839 -25.2839 -9.2588 -9.2577 -9.1845 -9.1783 -9.1493 -9.1447 -9.1240 -9.1182 -8.9222 -8.9186 -8.8001 -8.7995 -8.7961 -8.7947 -8.7302 -8.7220 -8.7203 -8.7168 -8.6472 -8.6472 -7.3268 -7.3264 -7.3141 -7.3112 -7.3086 -7.3074 -3.4621 -3.4621 0.5047 0.5055 0.7650 0.7662 0.7904 0.7921 1.6592 1.6592 1.6602 1.6607 2.1857 2.1863 2.2338 2.2362 2.2517 2.2533 3.3874 3.3877 3.4244 3.4282 3.4325 3.4341 5.7287 5.7287 7.3888 7.3905 7.6352 7.6379 7.6471 7.6489 8.9999 9.0005 9.0116 9.0122 k = 0.4138-0.2926 0.6124 ( 6738 PWs) bands (ev): -25.3099 -25.3099 -25.3094 -25.3094 -25.2841 -25.2841 -9.2796 -9.2782 -9.1830 -9.1752 -9.1471 -9.1421 -9.1149 -9.1071 -8.9149 -8.9084 -8.8007 -8.7998 -8.7949 -8.7924 -8.7318 -8.7214 -8.7166 -8.7125 -8.6484 -8.6484 -7.3309 -7.3300 -7.3173 -7.3138 -7.3093 -7.3080 -3.4627 -3.4627 0.4913 0.4929 0.7453 0.7479 0.7848 0.7870 1.6679 1.6680 1.6696 1.6702 2.1978 2.1986 2.2458 2.2485 2.2731 2.2750 3.3780 3.3786 3.4134 3.4182 3.4259 3.4281 5.7423 5.7423 7.3956 7.3988 7.6405 7.6443 7.6586 7.6624 9.0025 9.0033 9.0205 9.0212 k = 0.3966-0.2804 0.6124 ( 6746 PWs) bands (ev): -25.3099 -25.3099 -25.3093 -25.3093 -25.2842 -25.2842 -9.3006 -9.2988 -9.1812 -9.1717 -9.1445 -9.1393 -9.1069 -9.0970 -8.9074 -8.8971 -8.8014 -8.8000 -8.7937 -8.7896 -8.7335 -8.7210 -8.7115 -8.7067 -8.6499 -8.6498 -7.3362 -7.3347 -7.3206 -7.3167 -7.3100 -7.3087 -3.4633 -3.4633 0.4746 0.4773 0.7226 0.7269 0.7786 0.7814 1.6786 1.6787 1.6814 1.6818 2.2111 2.2117 2.2606 2.2634 2.2990 2.3012 3.3664 3.3673 3.4003 3.4060 3.4183 3.4210 5.7581 5.7581 7.4035 7.4088 7.6470 7.6521 7.6726 7.6793 9.0058 9.0067 9.0313 9.0322 k = 0.3793-0.2682 0.6124 ( 6746 PWs) bands (ev): -25.3099 -25.3099 -25.3091 -25.3091 -25.2845 -25.2845 -9.3214 -9.3194 -9.1789 -9.1677 -9.1415 -9.1363 -9.0998 -9.0877 -8.9004 -8.8853 -8.8023 -8.8003 -8.7926 -8.7867 -8.7353 -8.7206 -8.7047 -8.6992 -8.6515 -8.6514 -7.3427 -7.3406 -7.3241 -7.3199 -7.3106 -7.3093 -3.4641 -3.4641 0.4545 0.4586 0.6977 0.7041 0.7721 0.7754 1.6909 1.6910 1.6955 1.6958 2.2251 2.2253 2.2778 2.2807 2.3292 2.3312 3.3526 3.3539 3.3853 3.3918 3.4097 3.4129 5.7756 5.7756 7.4123 7.4202 7.6544 7.6613 7.6892 7.6995 9.0099 9.0108 9.0439 9.0449 k = 0.3621-0.2560 0.6124 ( 6754 PWs) bands (ev): -25.3100 -25.3100 -25.3088 -25.3088 -25.2847 -25.2847 -9.3420 -9.3398 -9.1764 -9.1634 -9.1379 -9.1331 -9.0933 -9.0792 -8.8941 -8.8736 -8.8034 -8.8006 -8.7918 -8.7839 -8.7371 -8.7203 -8.6960 -8.6898 -8.6534 -8.6531 -7.3503 -7.3476 -7.3278 -7.3233 -7.3112 -7.3100 -3.4649 -3.4649 0.4312 0.4368 0.6712 0.6800 0.7656 0.7694 1.7049 1.7050 1.7120 1.7120 2.2396 2.2401 2.2968 2.3000 2.3631 2.3646 3.3367 3.3385 3.3684 3.3758 3.4002 3.4040 5.7943 5.7944 7.4218 7.4328 7.6627 7.6716 7.7085 7.7233 9.0148 9.0158 9.0582 9.0593 k = 0.3448-0.2438 0.6124 ( 6746 PWs) bands (ev): -25.3100 -25.3100 -25.3085 -25.3085 -25.2850 -25.2850 -9.3622 -9.3598 -9.1735 -9.1587 -9.1339 -9.1299 -9.0871 -9.0712 -8.8888 -8.8625 -8.8046 -8.8008 -8.7913 -8.7815 -8.7389 -8.7201 -8.6854 -8.6785 -8.6554 -8.6548 -7.3588 -7.3555 -7.3317 -7.3270 -7.3118 -7.3107 -3.4658 -3.4658 0.4047 0.4120 0.6441 0.6553 0.7592 0.7634 1.7203 1.7204 1.7306 1.7308 2.2548 2.2560 2.3173 2.3208 2.4000 2.4006 3.3188 3.3210 3.3498 3.3580 3.3899 3.3942 5.8137 5.8139 7.4318 7.4462 7.6719 7.6831 7.7308 7.7506 9.0206 9.0217 9.0742 9.0754 k = 0.3276-0.2316 0.6124 ( 6752 PWs) bands (ev): -25.3100 -25.3100 -25.3082 -25.3082 -25.2853 -25.2853 -9.3820 -9.3794 -9.1704 -9.1537 -9.1294 -9.1267 -9.0810 -9.0637 -8.8845 -8.8523 -8.8060 -8.8010 -8.7913 -8.7797 -8.7408 -8.7199 -8.6730 -8.6666 -8.6573 -8.6554 -7.3681 -7.3643 -7.3359 -7.3308 -7.3124 -7.3113 -3.4668 -3.4668 0.3754 0.3843 0.6169 0.6304 0.7532 0.7577 1.7370 1.7372 1.7514 1.7519 2.2710 2.2729 2.3387 2.3428 2.4388 2.4392 3.2991 3.3017 3.3297 3.3386 3.3789 3.3837 5.8334 5.8337 7.4421 7.4599 7.6818 7.6954 7.7563 7.7815 9.0275 9.0286 9.0917 9.0930 k = 0.3103-0.2194 0.6124 ( 6748 PWs) bands (ev): -25.3100 -25.3100 -25.3079 -25.3079 -25.2856 -25.2856 -9.4011 -9.3984 -9.1672 -9.1485 -9.1245 -9.1235 -9.0747 -9.0564 -8.8812 -8.8431 -8.8075 -8.8011 -8.7917 -8.7785 -8.7426 -8.7199 -8.6623 -8.6620 -8.6560 -8.6471 -7.3780 -7.3738 -7.3402 -7.3349 -7.3130 -7.3120 -3.4678 -3.4678 0.3436 0.3540 0.5901 0.6056 0.7475 0.7522 1.7549 1.7551 1.7743 1.7752 2.2883 2.2908 2.3607 2.3655 2.4786 2.4801 3.2777 3.2806 3.3084 3.3178 3.3671 3.3724 5.8527 5.8532 7.4525 7.4734 7.6922 7.7084 7.7855 7.8159 9.0355 9.0366 9.1107 9.1120 k = 0.2931-0.2073 0.6124 ( 6742 PWs) bands (ev): -25.3100 -25.3100 -25.3075 -25.3075 -25.2859 -25.2859 -9.4195 -9.4168 -9.1637 -9.1431 -9.1205 -9.1192 -9.0681 -9.0494 -8.8788 -8.8351 -8.8092 -8.8012 -8.7925 -8.7778 -8.7444 -8.7199 -8.6634 -8.6633 -8.6417 -8.6316 -7.3885 -7.3839 -7.3446 -7.3391 -7.3136 -7.3127 -3.4688 -3.4688 0.3100 0.3214 0.5644 0.5814 0.7422 0.7471 1.7738 1.7741 1.7992 1.8004 2.3066 2.3097 2.3829 2.3886 2.5192 2.5221 3.2548 3.2580 3.2860 3.2957 3.3548 3.3605 5.8714 5.8720 7.4628 7.4864 7.7031 7.7217 7.8185 7.8536 9.0447 9.0458 9.1310 9.1323 k = 0.2759-0.1951 0.6124 ( 6758 PWs) bands (ev): -25.3101 -25.3101 -25.3072 -25.3072 -25.2863 -25.2863 -9.4372 -9.4345 -9.1601 -9.1375 -9.1177 -9.1137 -9.0612 -9.0425 -8.8772 -8.8283 -8.8108 -8.8011 -8.7936 -8.7778 -8.7460 -8.7201 -8.6657 -8.6656 -8.6249 -8.6145 -7.3993 -7.3945 -7.3491 -7.3435 -7.3143 -7.3134 -3.4698 -3.4698 0.2750 0.2871 0.5398 0.5579 0.7374 0.7423 1.7936 1.7940 1.8259 1.8274 2.3259 2.3297 2.4053 2.4119 2.5603 2.5647 3.2307 3.2341 3.2627 3.2726 3.3418 3.3478 5.8890 5.8898 7.4728 7.4984 7.7143 7.7352 7.8554 7.8945 9.0552 9.0563 9.1526 9.1539 k = 0.2586-0.1829 0.6124 ( 6750 PWs) bands (ev): -25.3101 -25.3101 -25.3067 -25.3067 -25.2867 -25.2867 -9.4541 -9.4514 -9.1564 -9.1318 -9.1151 -9.1079 -9.0538 -9.0357 -8.8763 -8.8231 -8.8120 -8.8010 -8.7950 -8.7783 -8.7475 -8.7203 -8.6683 -8.6680 -8.6073 -8.5968 -7.4105 -7.4054 -7.3536 -7.3479 -7.3149 -7.3141 -3.4709 -3.4708 0.2391 0.2516 0.5165 0.5352 0.7330 0.7378 1.8141 1.8146 1.8542 1.8561 2.3460 2.3504 2.4274 2.4351 2.6012 2.6072 3.2056 3.2090 3.2387 3.2486 3.3282 3.3346 5.9051 5.9061 7.4823 7.5092 7.7256 7.7486 7.8960 7.9381 9.0672 9.0682 9.1753 9.1766 k = 0.2414-0.1707 0.6124 ( 6742 PWs) bands (ev): -25.3101 -25.3101 -25.3063 -25.3063 -25.2871 -25.2871 -9.4700 -9.4674 -9.1525 -9.1260 -9.1127 -9.1020 -9.0461 -9.0290 -8.8759 -8.8209 -8.8115 -8.8008 -8.7963 -8.7791 -8.7488 -8.7208 -8.6710 -8.6703 -8.5894 -8.5789 -7.4217 -7.4165 -7.3582 -7.3524 -7.3156 -7.3149 -3.4719 -3.4718 0.2030 0.2155 0.4947 0.5135 0.7291 0.7337 1.8352 1.8359 1.8839 1.8861 2.3669 2.3719 2.4492 2.4581 2.6413 2.6491 3.1798 3.1831 3.2144 3.2239 3.3142 3.3208 5.9196 5.9209 7.4912 7.5186 7.7369 7.7616 7.9400 7.9842 9.0808 9.0817 9.1991 9.2004 k = 0.2241-0.1585 0.6124 ( 6742 PWs) bands (ev): -25.3101 -25.3101 -25.3059 -25.3059 -25.2875 -25.2875 -9.4851 -9.4826 -9.1486 -9.1202 -9.1106 -9.0961 -9.0381 -9.0222 -8.8759 -8.8218 -8.8095 -8.8006 -8.7973 -8.7804 -8.7498 -8.7214 -8.6737 -8.6726 -8.5714 -8.5612 -7.4330 -7.4276 -7.3626 -7.3568 -7.3163 -7.3156 -3.4728 -3.4728 0.1672 0.1794 0.4744 0.4929 0.7255 0.7299 1.8566 1.8575 1.9147 1.9171 2.3884 2.3938 2.4705 2.4808 2.6800 2.6898 3.1534 3.1567 3.1900 3.1989 3.2998 3.3065 5.9323 5.9338 7.4992 7.5265 7.7482 7.7740 7.9870 8.0322 9.0958 9.0966 9.2239 9.2251 k = 0.2069-0.1463 0.6124 ( 6756 PWs) bands (ev): -25.3102 -25.3102 -25.3054 -25.3054 -25.2880 -25.2880 -9.4992 -9.4967 -9.1447 -9.1143 -9.1086 -9.0904 -9.0299 -9.0155 -8.8763 -8.8241 -8.8084 -8.8003 -8.7970 -8.7819 -8.7506 -8.7222 -8.6764 -8.6748 -8.5537 -8.5438 -7.4441 -7.4388 -7.3669 -7.3613 -7.3170 -7.3164 -3.4737 -3.4737 0.1322 0.1439 0.4555 0.4734 0.7223 0.7265 1.8783 1.8793 1.9463 1.9490 2.4101 2.4161 2.4913 2.5029 2.7165 2.7287 3.1270 3.1301 3.1659 3.1738 3.2851 3.2919 5.9432 5.9449 7.5064 7.5329 7.7593 7.7858 8.0363 8.0813 9.1124 9.1131 9.2496 9.2508 k = 0.1897-0.1341 0.6124 ( 6764 PWs) bands (ev): -25.3102 -25.3102 -25.3050 -25.3050 -25.2884 -25.2884 -9.5123 -9.5100 -9.1408 -9.1088 -9.1067 -9.0848 -9.0216 -9.0088 -8.8769 -8.8270 -8.8091 -8.8001 -8.7953 -8.7837 -8.7510 -8.7232 -8.6790 -8.6768 -8.5366 -8.5271 -7.4550 -7.4497 -7.3711 -7.3655 -7.3177 -7.3172 -3.4746 -3.4746 0.0984 0.1094 0.4381 0.4552 0.7194 0.7233 1.9000 1.9011 1.9784 1.9814 2.4320 2.4384 2.5113 2.5244 2.7501 2.7650 3.1008 3.1036 3.1426 3.1490 3.2702 3.2770 5.9522 5.9541 7.5126 7.5379 7.7701 7.7968 8.0869 8.1310 9.1305 9.1311 9.2763 9.2774 k = 0.1724-0.1219 0.6124 ( 6774 PWs) bands (ev): -25.3102 -25.3102 -25.3045 -25.3045 -25.2889 -25.2889 -9.5243 -9.5221 -9.1369 -9.1059 -9.1023 -9.0795 -9.0133 -9.0022 -8.8776 -8.8302 -8.8109 -8.8000 -8.7931 -8.7855 -8.7510 -8.7243 -8.6814 -8.6787 -8.5202 -8.5113 -7.4655 -7.4603 -7.3750 -7.3697 -7.3184 -7.3180 -3.4754 -3.4754 0.0663 0.0765 0.4222 0.4382 0.7168 0.7205 1.9215 1.9226 2.0106 2.0138 2.4537 2.4604 2.5306 2.5452 2.7798 2.7977 3.0754 3.0777 3.1209 3.1252 3.2552 3.2620 5.9595 5.9615 7.5180 7.5415 7.7805 7.8068 8.1381 8.1803 9.1499 9.1504 9.3039 9.3050 k = 0.1552-0.1097 0.6124 ( 6764 PWs) bands (ev): -25.3102 -25.3102 -25.3040 -25.3040 -25.2894 -25.2894 -9.5352 -9.5333 -9.1331 -9.1046 -9.0967 -9.0746 -9.0051 -8.9957 -8.8783 -8.8337 -8.8131 -8.8001 -8.7910 -8.7874 -8.7506 -8.7256 -8.6836 -8.6805 -8.5047 -8.4965 -7.4754 -7.4704 -7.3787 -7.3736 -7.3191 -7.3187 -3.4761 -3.4761 0.0361 0.0455 0.4079 0.4226 0.7146 0.7179 1.9425 1.9437 2.0425 2.0460 2.4748 2.4818 2.5490 2.5653 2.8044 2.8258 3.0510 3.0527 3.1019 3.1033 3.2403 3.2470 5.9652 5.9672 7.5223 7.5439 7.7905 7.8159 8.1887 8.2284 9.1704 9.1708 9.3325 9.3336 k = 0.1379-0.0975 0.6124 ( 6762 PWs) bands (ev): -25.3102 -25.3102 -25.3036 -25.3036 -25.2898 -25.2898 -9.5451 -9.5433 -9.1294 -9.1037 -9.0912 -9.0702 -8.9972 -8.9893 -8.8790 -8.8374 -8.8154 -8.8006 -8.7893 -8.7890 -8.7498 -8.7270 -8.6857 -8.6821 -8.4904 -8.4829 -7.4846 -7.4800 -7.3820 -7.3773 -7.3198 -7.3194 -3.4768 -3.4768 0.0084 0.0167 0.3951 0.4084 0.7127 0.7156 1.9628 1.9641 2.0737 2.0774 2.4951 2.5023 2.5667 2.5845 2.8226 2.8477 3.0284 3.0291 3.0845 3.0866 3.2258 3.2322 5.9695 5.9715 7.5259 7.5452 7.8000 7.8240 8.2379 8.2743 9.1917 9.1919 9.3622 9.3633 k = 0.1207-0.0853 0.6124 ( 6760 PWs) bands (ev): -25.3102 -25.3102 -25.3031 -25.3031 -25.2903 -25.2903 -9.5538 -9.5522 -9.1258 -9.1030 -9.0858 -9.0663 -8.9898 -8.9833 -8.8794 -8.8412 -8.8176 -8.8018 -8.7901 -8.7881 -8.7486 -8.7284 -8.6875 -8.6835 -8.4774 -8.4707 -7.4930 -7.4888 -7.3850 -7.3807 -7.3204 -7.3201 -3.4774 -3.4773 -0.0167 -0.0094 0.3838 0.3957 0.7110 0.7136 1.9820 1.9833 2.1037 2.1074 2.5142 2.5214 2.5835 2.6027 2.8333 2.8616 3.0072 3.0079 3.0706 3.0762 3.2118 3.2178 5.9726 5.9745 7.5287 7.5457 7.8090 7.8310 8.2844 8.3171 9.2132 9.2133 9.3930 9.3941 k = 0.1034-0.0731 0.6124 ( 6772 PWs) bands (ev): -25.3103 -25.3103 -25.3027 -25.3027 -25.2907 -25.2907 -9.5614 -9.5600 -9.1223 -9.1027 -9.0808 -9.0631 -8.9829 -8.9777 -8.8795 -8.8452 -8.8195 -8.8037 -8.7907 -8.7874 -8.7472 -8.7299 -8.6889 -8.6849 -8.4657 -8.4599 -7.5005 -7.4968 -7.3876 -7.3838 -7.3210 -7.3207 -3.4779 -3.4778 -0.0390 -0.0326 0.3741 0.3844 0.7096 0.7119 1.9998 2.0011 2.1319 2.1356 2.5318 2.5387 2.5995 2.6199 2.8361 2.8662 2.9875 2.9896 3.0632 3.0713 3.1987 3.2042 5.9747 5.9764 7.5309 7.5454 7.8172 7.8369 8.3273 8.3559 9.2344 9.2345 9.4251 9.4263 k = 0.0862-0.0610 0.6124 ( 6756 PWs) bands (ev): -25.3103 -25.3103 -25.3023 -25.3023 -25.2911 -25.2911 -9.5678 -9.5667 -9.1191 -9.1026 -9.0760 -9.0606 -8.9766 -8.9726 -8.8792 -8.8493 -8.8210 -8.8062 -8.7907 -8.7870 -8.7457 -8.7313 -8.6901 -8.6861 -8.4556 -8.4507 -7.5070 -7.5038 -7.3898 -7.3866 -7.3215 -7.3213 -3.4783 -3.4783 -0.0580 -0.0527 0.3660 0.3747 0.7084 0.7103 2.0159 2.0171 2.1576 2.1612 2.5474 2.5539 2.6148 2.6359 2.8322 2.8621 2.9705 2.9735 3.0622 3.0710 3.1867 3.1916 5.9760 5.9775 7.5325 7.5447 7.8247 7.8417 8.3657 8.3899 9.2546 9.2546 9.4584 9.4598 k = 0.0690-0.0488 0.6124 ( 6752 PWs) bands (ev): -25.3103 -25.3103 -25.3019 -25.3019 -25.2914 -25.2914 -9.5731 -9.5721 -9.1161 -9.1028 -9.0716 -9.0588 -8.9713 -8.9682 -8.8784 -8.8535 -8.8219 -8.8090 -8.7905 -8.7870 -8.7440 -8.7327 -8.6909 -8.6873 -8.4471 -8.4431 -7.5124 -7.5097 -7.3916 -7.3889 -7.3219 -7.3217 -3.4786 -3.4786 -0.0738 -0.0696 0.3596 0.3666 0.7075 0.7091 2.0299 2.0309 2.1802 2.1834 2.5608 2.5666 2.6294 2.6504 2.8236 2.8516 2.9563 2.9597 3.0658 3.0738 3.1763 3.1804 5.9768 5.9781 7.5339 7.5435 7.8314 7.8454 8.3988 8.4183 9.2730 9.2730 9.4929 9.4945 k = 0.0517-0.0366 0.6124 ( 6756 PWs) bands (ev): -25.3103 -25.3103 -25.3017 -25.3017 -25.2917 -25.2917 -9.5772 -9.5765 -9.1133 -9.1033 -9.0678 -9.0578 -8.9669 -8.9647 -8.8770 -8.8577 -8.8223 -8.8118 -8.7901 -8.7871 -8.7424 -8.7341 -8.6913 -8.6883 -8.4403 -8.4372 -7.5166 -7.5145 -7.3929 -7.3909 -7.3222 -7.3221 -3.4789 -3.4789 -0.0861 -0.0829 0.3547 0.3600 0.7069 0.7080 2.0412 2.0421 2.1989 2.2016 2.5716 2.5764 2.6433 2.6627 2.8134 2.8379 2.9454 2.9485 3.0714 3.0777 3.1678 3.1710 5.9772 5.9782 7.5350 7.5422 7.8372 7.8479 8.4257 8.4404 9.2886 9.2886 9.5282 9.5300 k = 0.0345-0.0244 0.6124 ( 6768 PWs) bands (ev): -25.3103 -25.3103 -25.3014 -25.3014 -25.2919 -25.2919 -9.5801 -9.5796 -9.1109 -9.1042 -9.0644 -9.0576 -8.9636 -8.9622 -8.8750 -8.8618 -8.8219 -8.8146 -8.7896 -8.7875 -8.7409 -8.7354 -8.6915 -8.6893 -8.4352 -8.4331 -7.5195 -7.5181 -7.3938 -7.3924 -7.3225 -7.3224 -3.4791 -3.4791 -0.0949 -0.0927 0.3515 0.3550 0.7065 0.7072 2.0497 2.0503 2.2131 2.2150 2.5798 2.5832 2.6560 2.6716 2.8047 2.8236 2.9379 2.9402 3.0769 3.0812 3.1615 3.1638 5.9774 5.9781 7.5360 7.5409 7.8419 7.8491 8.4461 8.4559 9.3005 9.3006 9.5630 9.5649 k = 0.0172-0.0122 0.6124 ( 6768 PWs) bands (ev): -25.3103 -25.3103 -25.3013 -25.3013 -25.2921 -25.2921 -9.5817 -9.5815 -9.1087 -9.1054 -9.0616 -9.0582 -8.9614 -8.9607 -8.8724 -8.8657 -8.8209 -8.8172 -8.7890 -8.7880 -8.7394 -8.7367 -8.6913 -8.6901 -8.4319 -8.4309 -7.5212 -7.5205 -7.3941 -7.3934 -7.3226 -7.3226 -3.4792 -3.4792 -0.0999 -0.0989 0.3499 0.3517 0.7063 0.7067 2.0550 2.0553 2.2221 2.2231 2.5851 2.5869 2.6666 2.6757 2.8005 2.8111 2.9336 2.9348 3.0810 3.0832 3.1579 3.1591 5.9776 5.9780 7.5371 7.5395 7.8455 7.8491 8.4594 8.4643 9.3081 9.3081 9.5935 9.5952 k = 0.0000 0.0000 0.6124 ( 6756 PWs) bands (ev): -25.3103 -25.3103 -25.3012 -25.3012 -25.2921 -25.2921 -9.5822 -9.5822 -9.1069 -9.1069 -9.0596 -9.0596 -8.9605 -8.9605 -8.8693 -8.8693 -8.8193 -8.8193 -8.7885 -8.7885 -8.7380 -8.7380 -8.6908 -8.6908 -8.4305 -8.4305 -7.5215 -7.5215 -7.3940 -7.3940 -7.3226 -7.3226 -3.4793 -3.4793 -0.1013 -0.1013 0.3500 0.3500 0.7064 0.7064 2.0569 2.0569 2.2255 2.2255 2.5875 2.5875 2.6738 2.6738 2.8027 2.8027 2.9326 2.9326 3.0832 3.0832 3.1571 3.1571 5.9778 5.9778 7.5383 7.5383 7.8479 7.8479 8.4655 8.4655 9.3107 9.3107 9.6085 9.6085 k = 0.0000 0.0000 0.6124 ( 6756 PWs) bands (ev): -25.3103 -25.3103 -25.3012 -25.3012 -25.2921 -25.2921 -9.5822 -9.5822 -9.1069 -9.1069 -9.0596 -9.0596 -8.9605 -8.9605 -8.8693 -8.8693 -8.8193 -8.8193 -8.7885 -8.7885 -8.7380 -8.7380 -8.6908 -8.6908 -8.4305 -8.4305 -7.5215 -7.5215 -7.3940 -7.3940 -7.3226 -7.3226 -3.4793 -3.4793 -0.1013 -0.1013 0.3500 0.3500 0.7064 0.7064 2.0569 2.0569 2.2255 2.2255 2.5875 2.5875 2.6738 2.6738 2.8027 2.8027 2.9326 2.9326 3.0832 3.0832 3.1571 3.1571 5.9778 5.9778 7.5383 7.5383 7.8479 7.8479 8.4655 8.4655 9.3107 9.3107 9.6085 9.6085 k = 0.0000 0.0000 0.5913 ( 6764 PWs) bands (ev): -25.3104 -25.3104 -25.3012 -25.3012 -25.2921 -25.2921 -9.5818 -9.5817 -9.1088 -9.1049 -9.0612 -9.0581 -8.9631 -8.9577 -8.8703 -8.8686 -8.8213 -8.8173 -8.7911 -8.7856 -8.7384 -8.7379 -8.6909 -8.6907 -8.4321 -8.4311 -7.5208 -7.5207 -7.3943 -7.3933 -7.3230 -7.3222 -3.4795 -3.4794 -0.1012 -0.1011 0.3483 0.3489 0.7036 0.7042 2.0597 2.0599 2.2255 2.2269 2.5831 2.5891 2.6726 2.6790 2.8038 2.8045 2.9297 2.9327 3.0828 3.0855 3.1565 3.1573 5.9779 5.9782 7.5393 7.5411 7.8462 7.8510 8.4658 8.4668 9.3051 9.3102 9.6010 9.6012 k = 0.0000 0.0000 0.5701 ( 6760 PWs) bands (ev): -25.3106 -25.3106 -25.3010 -25.3010 -25.2921 -25.2921 -9.5805 -9.5803 -9.1107 -9.1029 -9.0630 -9.0570 -8.9655 -8.9549 -8.8715 -8.8683 -8.8229 -8.8158 -8.7930 -8.7825 -8.7391 -8.7379 -8.6910 -8.6906 -8.4359 -8.4340 -7.5187 -7.5184 -7.3941 -7.3922 -7.3234 -7.3218 -3.4801 -3.4800 -0.1011 -0.1008 0.3440 0.3451 0.6958 0.6971 2.0685 2.0687 2.2270 2.2298 2.5769 2.5877 2.6755 2.6872 2.8078 2.8091 2.9241 2.9298 3.0843 3.0895 3.1557 3.1571 5.9787 5.9791 7.5444 7.5479 7.8461 7.8555 8.4677 8.4697 9.2935 9.3036 9.5800 9.5804 k = 0.0000 0.0000 0.5490 ( 6760 PWs) bands (ev): -25.3108 -25.3108 -25.3007 -25.3007 -25.2921 -25.2921 -9.5784 -9.5781 -9.1126 -9.1009 -9.0649 -9.0561 -8.9675 -8.9520 -8.8728 -8.8685 -8.8241 -8.8152 -8.7938 -8.7794 -8.7400 -8.7381 -8.6910 -8.6904 -8.4419 -8.4390 -7.5151 -7.5147 -7.3934 -7.3906 -7.3237 -7.3213 -3.4811 -3.4810 -0.1008 -0.1004 0.3371 0.3387 0.6834 0.6852 2.0829 2.0832 2.2300 2.2340 2.5698 2.5839 2.6820 2.6974 2.8146 2.8163 2.9163 2.9243 3.0875 3.0947 3.1544 3.1565 5.9799 5.9806 7.5535 7.5583 7.8477 7.8613 8.4711 8.4741 9.2764 9.2911 9.5488 9.5494 k = 0.0000 0.0000 0.5279 ( 6769 PWs) bands (ev): -25.3112 -25.3112 -25.3004 -25.3004 -25.2921 -25.2921 -9.5754 -9.5750 -9.1143 -9.0989 -9.0668 -9.0557 -8.9692 -8.9493 -8.8743 -8.8693 -8.8245 -8.8159 -8.7933 -8.7764 -8.7411 -8.7385 -8.6910 -8.6902 -8.4499 -8.4461 -7.5102 -7.5098 -7.3923 -7.3886 -7.3239 -7.3208 -3.4824 -3.4824 -0.1003 -0.0998 0.3278 0.3298 0.6666 0.6687 2.1030 2.1032 2.2343 2.2396 2.5625 2.5787 2.6910 2.7089 2.8240 2.8260 2.9070 2.9168 3.0918 3.1007 3.1528 3.1555 5.9814 5.9823 7.5665 7.5723 7.8514 7.8686 8.4759 8.4799 9.2543 9.2730 9.5110 9.5117 k = 0.0000 0.0000 0.5068 ( 6773 PWs) bands (ev): -25.3116 -25.3116 -25.3000 -25.3000 -25.2921 -25.2921 -9.5715 -9.5710 -9.1160 -9.0969 -9.0688 -9.0556 -8.9705 -8.9467 -8.8758 -8.8706 -8.8243 -8.8177 -8.7917 -8.7735 -8.7425 -8.7390 -8.6911 -8.6899 -8.4599 -8.4551 -7.5042 -7.5036 -7.3908 -7.3863 -7.3241 -7.3202 -3.4841 -3.4841 -0.0998 -0.0992 0.3164 0.3187 0.6457 0.6481 2.1285 2.1285 2.2400 2.2464 2.5555 2.5730 2.7014 2.7212 2.8357 2.8377 2.8967 2.9077 3.0968 3.1069 3.1507 3.1539 5.9831 5.9842 7.5835 7.5895 7.8576 7.8775 8.4821 8.4869 9.2276 9.2498 9.4695 9.4704 k = 0.0000 0.0000 0.4857 ( 6771 PWs) bands (ev): -25.3121 -25.3121 -25.2995 -25.2995 -25.2921 -25.2921 -9.5667 -9.5662 -9.1175 -9.0950 -9.0709 -9.0560 -8.9713 -8.9443 -8.8773 -8.8722 -8.8234 -8.8203 -8.7895 -8.7709 -8.7442 -8.7396 -8.6910 -8.6896 -8.4716 -8.4658 -7.4970 -7.4963 -7.3889 -7.3836 -7.3243 -7.3197 -3.4862 -3.4861 -0.0992 -0.0985 0.3031 0.3057 0.6212 0.6236 2.1587 2.1590 2.2471 2.2545 2.5491 2.5674 2.7125 2.7338 2.8495 2.8507 2.8863 2.8977 3.1020 3.1131 3.1481 3.1516 5.9846 5.9860 7.6044 7.6098 7.8666 7.8882 8.4894 8.4951 9.1971 9.2222 9.4266 9.4278 k = 0.0000 0.0000 0.4646 ( 6767 PWs) bands (ev): -25.3125 -25.3125 -25.2991 -25.2991 -25.2921 -25.2921 -9.5612 -9.5605 -9.1189 -9.0932 -9.0729 -9.0567 -8.9716 -8.9421 -8.8788 -8.8743 -8.8233 -8.8221 -8.7870 -8.7685 -8.7460 -8.7402 -8.6909 -8.6891 -8.4848 -8.4780 -7.4889 -7.4881 -7.3866 -7.3806 -7.3244 -7.3191 -3.4885 -3.4884 -0.0986 -0.0977 0.2882 0.2909 0.5935 0.5959 2.1935 2.1943 2.2554 2.2637 2.5434 2.5623 2.7238 2.7462 2.8619 2.8644 2.8790 2.8877 3.1068 3.1190 3.1451 3.1486 5.9858 5.9874 7.6289 7.6328 7.8791 7.9009 8.4978 8.5043 9.1636 9.1909 9.3840 9.3854 k = 0.0000 0.0000 0.4434 ( 6755 PWs) bands (ev): -25.3130 -25.3130 -25.2985 -25.2985 -25.2921 -25.2921 -9.5548 -9.5541 -9.1201 -9.0915 -9.0748 -9.0579 -8.9715 -8.9402 -8.8803 -8.8765 -8.8265 -8.8203 -8.7848 -8.7664 -8.7480 -8.7407 -8.6907 -8.6886 -8.4993 -8.4916 -7.4800 -7.4792 -7.3839 -7.3774 -7.3244 -7.3186 -3.4910 -3.4909 -0.0980 -0.0971 0.2720 0.2749 0.5632 0.5655 2.2325 2.2340 2.2650 2.2742 2.5387 2.5579 2.7346 2.7580 2.8588 2.8727 2.8856 2.8875 3.1108 3.1244 3.1420 3.1448 5.9863 5.9880 7.6570 7.6580 7.8956 7.9159 8.5069 8.5141 9.1276 9.1564 9.3430 9.3446 k = 0.0000 0.0000 0.4223 ( 6751 PWs) bands (ev): -25.3136 -25.3136 -25.2980 -25.2980 -25.2921 -25.2921 -9.5476 -9.5469 -9.1212 -9.0898 -9.0768 -9.0595 -8.9709 -8.9387 -8.8818 -8.8788 -8.8297 -8.8183 -8.7828 -8.7647 -8.7502 -8.7410 -8.6904 -8.6881 -8.5149 -8.5062 -7.4704 -7.4696 -7.3810 -7.3739 -7.3245 -7.3181 -3.4937 -3.4936 -0.0974 -0.0965 0.2548 0.2578 0.5308 0.5328 2.2739 2.2750 2.2784 2.2872 2.5351 2.5546 2.7445 2.7684 2.8499 2.8645 2.9016 2.9037 3.1130 3.1288 3.1392 3.1404 5.9857 5.9875 7.6853 7.6885 7.9167 7.9336 8.5166 8.5244 9.0901 9.1197 9.3044 9.3062 k = 0.0000 0.0000 0.4012 ( 6745 PWs) bands (ev): -25.3141 -25.3141 -25.2975 -25.2975 -25.2920 -25.2920 -9.5397 -9.5389 -9.1221 -9.0884 -9.0787 -9.0614 -8.9701 -8.9375 -8.8833 -8.8811 -8.8329 -8.8162 -8.7813 -8.7635 -8.7525 -8.7412 -8.6900 -8.6874 -8.5313 -8.5216 -7.4604 -7.4596 -7.3777 -7.3703 -7.3244 -7.3175 -3.4966 -3.4965 -0.0971 -0.0961 0.2370 0.2400 0.4968 0.4985 2.2877 2.2965 2.3237 2.3250 2.5325 2.5522 2.7527 2.7761 2.8423 2.8555 2.9198 2.9212 3.1124 3.1302 3.1374 3.1380 5.9835 5.9855 7.7142 7.7231 7.9426 7.9543 8.5266 8.5348 9.0516 9.0812 9.2689 9.2709 k = 0.0000 0.0000 0.3801 ( 6739 PWs) bands (ev): -25.3146 -25.3146 -25.2970 -25.2970 -25.2920 -25.2920 -9.5310 -9.5302 -9.1228 -9.0871 -9.0806 -9.0635 -8.9689 -8.9366 -8.8848 -8.8833 -8.8361 -8.8141 -8.7805 -8.7630 -8.7548 -8.7412 -8.6894 -8.6867 -8.5483 -8.5376 -7.4501 -7.4493 -7.3742 -7.3665 -7.3244 -7.3171 -3.4996 -3.4995 -0.0970 -0.0961 0.2189 0.2218 0.4617 0.4630 2.3009 2.3107 2.3728 2.3752 2.5312 2.5511 2.7585 2.7794 2.8383 2.8482 2.9384 2.9389 3.1085 3.1252 3.1386 3.1393 5.9795 5.9814 7.7448 7.7607 7.9737 7.9783 8.5366 8.5452 9.0129 9.0419 9.2370 9.2393 k = 0.0000 0.0000 0.3590 ( 6753 PWs) bands (ev): -25.3152 -25.3152 -25.2965 -25.2965 -25.2920 -25.2920 -9.5217 -9.5209 -9.1234 -9.0860 -9.0824 -9.0659 -8.9676 -8.9362 -8.8862 -8.8855 -8.8391 -8.8122 -8.7803 -8.7632 -8.7568 -8.7411 -8.6886 -8.6860 -8.5655 -8.5538 -7.4396 -7.4388 -7.3705 -7.3626 -7.3243 -7.3166 -3.5026 -3.5026 -0.0972 -0.0964 0.2007 0.2035 0.4260 0.4270 2.3153 2.3256 2.4249 2.4281 2.5311 2.5511 2.7612 2.7773 2.8390 2.8431 2.9562 2.9566 3.1019 3.1177 3.1406 3.1423 5.9732 5.9751 7.7772 7.8008 8.0057 8.0098 8.5465 8.5552 8.9748 9.0023 9.2090 9.2115 k = 0.0000 0.0000 0.3379 ( 6743 PWs) bands (ev): -25.3157 -25.3157 -25.2960 -25.2960 -25.2920 -25.2920 -9.5117 -9.5109 -9.1238 -9.0852 -9.0842 -9.0683 -8.9662 -8.9362 -8.8876 -8.8874 -8.8419 -8.8107 -8.7807 -8.7645 -8.7585 -8.7410 -8.6877 -8.6852 -8.5825 -8.5700 -7.4291 -7.4283 -7.3667 -7.3587 -7.3242 -7.3162 -3.5057 -3.5056 -0.0979 -0.0971 0.1827 0.1855 0.3902 0.3908 2.3309 2.3415 2.4792 2.4831 2.5322 2.5524 2.7604 2.7710 2.8407 2.8430 2.9726 2.9739 3.0938 3.1092 3.1431 3.1451 5.9642 5.9661 7.8114 7.8432 8.0368 8.0506 8.5562 8.5648 8.9378 8.9633 9.1849 9.1876 k = 0.0000 0.0000 0.3167 ( 6739 PWs) bands (ev): -25.3162 -25.3162 -25.2955 -25.2955 -25.2920 -25.2920 -9.5012 -9.5003 -9.1240 -9.0860 -9.0846 -9.0709 -8.9648 -8.9366 -8.8891 -8.8889 -8.8444 -8.8096 -8.7818 -8.7668 -8.7599 -8.7413 -8.6867 -8.6844 -8.5990 -8.5858 -7.4186 -7.4179 -7.3627 -7.3548 -7.3240 -7.3158 -3.5088 -3.5087 -0.0992 -0.0985 0.1654 0.1681 0.3547 0.3550 2.3477 2.3586 2.5345 2.5347 2.5398 2.5552 2.7565 2.7624 2.8404 2.8483 2.9873 2.9892 3.0853 3.1004 3.1460 3.1477 5.9525 5.9542 7.8479 7.8877 8.0713 8.0956 8.5656 8.5737 8.9027 8.9254 9.1646 9.1675 k = 0.0000 0.0000 0.2956 ( 6739 PWs) bands (ev): -25.3166 -25.3166 -25.2951 -25.2951 -25.2919 -25.2919 -9.4901 -9.4893 -9.1240 -9.0877 -9.0843 -9.0735 -8.9634 -8.9374 -8.8907 -8.8902 -8.8467 -8.8090 -8.7835 -8.7697 -8.7612 -8.7420 -8.6856 -8.6835 -8.6144 -8.6008 -7.4084 -7.4078 -7.3587 -7.3509 -7.3238 -7.3154 -3.5117 -3.5117 -0.1013 -0.1006 0.1488 0.1515 0.3200 0.3200 2.3657 2.3767 2.5383 2.5584 2.5922 2.5974 2.7504 2.7529 2.8411 2.8533 2.9988 3.0009 3.0782 3.0925 3.1490 3.1503 5.9378 5.9393 7.8869 7.9339 8.1091 8.1438 8.5749 8.5819 8.8702 8.8894 9.1476 9.1507 k = 0.0000 0.0000 0.2745 ( 6747 PWs) bands (ev): -25.3171 -25.3171 -25.2947 -25.2947 -25.2919 -25.2919 -9.4786 -9.4778 -9.1238 -9.0894 -9.0844 -9.0762 -8.9621 -8.9387 -8.8921 -8.8914 -8.8487 -8.8091 -8.7859 -8.7733 -8.7626 -8.7435 -8.6843 -8.6827 -8.6284 -8.6147 -7.3985 -7.3980 -7.3547 -7.3471 -7.3236 -7.3151 -3.5146 -3.5145 -0.1041 -0.1036 0.1334 0.1360 0.2862 0.2864 2.3847 2.3960 2.5433 2.5636 2.6491 2.6554 2.7434 2.7434 2.8418 2.8573 3.0053 3.0061 3.0751 3.0873 3.1522 3.1530 5.9201 5.9214 7.9285 7.9815 8.1496 8.1945 8.5843 8.5897 8.8408 8.8562 9.1332 9.1365 k = 0.0000 0.0000 0.2534 ( 6745 PWs) bands (ev): -25.3175 -25.3175 -25.2942 -25.2942 -25.2919 -25.2919 -9.4667 -9.4659 -9.1234 -9.0911 -9.0848 -9.0787 -8.9611 -8.9404 -8.8933 -8.8925 -8.8504 -8.8098 -8.7890 -8.7776 -8.7639 -8.7459 -8.6830 -8.6818 -8.6404 -8.6272 -7.3891 -7.3887 -7.3506 -7.3433 -7.3233 -7.3148 -3.5174 -3.5173 -0.1078 -0.1075 0.1193 0.1218 0.2539 0.2543 2.4049 2.4163 2.5495 2.5699 2.7043 2.7125 2.7347 2.7373 2.8419 2.8596 3.0028 3.0045 3.0782 3.0870 3.1556 3.1560 5.8996 5.9007 7.9727 8.0302 8.1918 8.2463 8.5943 8.5972 8.8152 8.8264 9.1207 9.1242 k = 0.0000 0.0000 0.2323 ( 6745 PWs) bands (ev): -25.3179 -25.3179 -25.2939 -25.2939 -25.2919 -25.2919 -9.4545 -9.4539 -9.1228 -9.0928 -9.0857 -9.0812 -8.9603 -8.9426 -8.8943 -8.8936 -8.8517 -8.8112 -8.7930 -8.7829 -8.7651 -8.7492 -8.6817 -8.6810 -8.6501 -8.6381 -7.3803 -7.3800 -7.3466 -7.3397 -7.3229 -7.3145 -3.5199 -3.5199 -0.1125 -0.1123 0.1067 0.1091 0.2235 0.2240 2.4261 2.4376 2.5569 2.5774 2.7240 2.7244 2.7649 2.7712 2.8409 2.8602 2.9926 2.9965 3.0861 3.0915 3.1594 3.1595 5.8766 5.8775 8.0190 8.0795 8.2344 8.2979 8.6049 8.6055 8.7942 8.8012 9.1091 9.1126 k = 0.0000 0.0000 0.2112 ( 6745 PWs) bands (ev): -25.3183 -25.3183 -25.2935 -25.2935 -25.2918 -25.2918 -9.4423 -9.4417 -9.1221 -9.0945 -9.0872 -9.0834 -8.9600 -8.9452 -8.8951 -8.8945 -8.8527 -8.8132 -8.7979 -8.7890 -8.7661 -8.7530 -8.6804 -8.6801 -8.6576 -8.6472 -7.3721 -7.3720 -7.3427 -7.3363 -7.3225 -7.3143 -3.5224 -3.5223 -0.1182 -0.1180 0.0958 0.0981 0.1952 0.1957 2.4483 2.4598 2.5654 2.5859 2.7158 2.7179 2.8154 2.8259 2.8399 2.8591 2.9789 2.9833 3.0960 3.0991 3.1632 3.1636 5.8516 5.8522 8.0672 8.1287 8.2760 8.3470 8.6136 8.6188 8.7783 8.7815 9.0974 9.1008 k = 0.0000 0.0000 0.1900 ( 6743 PWs) bands (ev): -25.3187 -25.3187 -25.2932 -25.2932 -25.2918 -25.2918 -9.4300 -9.4295 -9.1211 -9.0962 -9.0891 -9.0855 -8.9601 -8.9482 -8.8958 -8.8953 -8.8533 -8.8157 -8.8039 -8.7958 -8.7669 -8.7569 -8.6792 -8.6792 -8.6629 -8.6545 -7.3648 -7.3648 -7.3388 -7.3329 -7.3220 -7.3140 -3.5246 -3.5246 -0.1246 -0.1245 0.0864 0.0886 0.1692 0.1698 2.4713 2.4829 2.5749 2.5955 2.7079 2.7109 2.8312 2.8537 2.8676 2.8798 2.9655 2.9674 3.1065 3.1079 3.1675 3.1682 5.8250 5.8255 8.1163 8.1772 8.3145 8.3908 8.6249 8.6351 8.7681 8.7684 9.0843 9.0875 k = 0.0000 0.0000 0.1689 ( 6739 PWs) bands (ev): -25.3190 -25.3190 -25.2929 -25.2929 -25.2918 -25.2918 -9.4179 -9.4175 -9.1201 -9.0980 -9.0912 -9.0876 -8.9607 -8.9516 -8.8964 -8.8960 -8.8535 -8.8186 -8.8105 -8.8030 -8.7676 -8.7604 -8.6784 -8.6780 -8.6666 -8.6602 -7.3584 -7.3583 -7.3350 -7.3297 -7.3213 -7.3138 -3.5266 -3.5266 -0.1316 -0.1315 0.0787 0.0807 0.1458 0.1463 2.4951 2.5066 2.5854 2.6059 2.7008 2.7043 2.8260 2.8487 2.8984 2.9210 2.9561 2.9634 3.1168 3.1172 3.1721 3.1729 5.7978 5.7982 8.1655 8.2240 8.3482 8.4256 8.6416 8.6555 8.7624 8.7642 9.0683 9.0712 k = 0.0000 0.0000 0.1478 ( 6739 PWs) bands (ev): -25.3193 -25.3193 -25.2926 -25.2926 -25.2918 -25.2918 -9.4063 -9.4059 -9.1189 -9.0997 -9.0936 -9.0898 -8.9619 -8.9553 -8.8968 -8.8966 -8.8533 -8.8217 -8.8175 -8.8103 -8.7682 -8.7634 -8.6775 -8.6769 -8.6691 -8.6645 -7.3530 -7.3529 -7.3312 -7.3266 -7.3206 -7.3136 -3.5284 -3.5284 -0.1389 -0.1389 0.0725 0.0743 0.1249 0.1255 2.5196 2.5309 2.5967 2.6171 2.6945 2.6984 2.8188 2.8415 2.8972 2.9185 2.9833 2.9885 3.1267 3.1270 3.1769 3.1778 5.7707 5.7709 8.2137 8.2678 8.3757 8.4484 8.6657 8.6803 8.7636 8.7664 9.0478 9.0510 k = 0.0000 0.0000 0.1267 ( 6747 PWs) bands (ev): -25.3195 -25.3195 -25.2924 -25.2924 -25.2918 -25.2918 -9.3952 -9.3950 -9.1175 -9.1014 -9.0959 -9.0922 -8.9635 -8.9591 -8.8971 -8.8970 -8.8528 -8.8250 -8.8242 -8.8173 -8.7687 -8.7657 -8.6767 -8.6759 -8.6707 -8.6677 -7.3486 -7.3485 -7.3276 -7.3237 -7.3197 -7.3134 -3.5299 -3.5299 -0.1461 -0.1461 0.0675 0.0692 0.1069 0.1073 2.5444 2.5554 2.6087 2.6287 2.6890 2.6933 2.8103 2.8326 2.8800 2.8982 3.0214 3.0232 3.1368 3.1374 3.1816 3.1825 5.7446 5.7447 8.2596 8.3074 8.3968 8.4594 8.6971 8.7093 8.7710 8.7744 9.0254 9.0294 k = 0.0000 0.0000 0.1056 ( 6741 PWs) bands (ev): -25.3198 -25.3198 -25.2922 -25.2922 -25.2917 -25.2917 -9.3851 -9.3849 -9.1160 -9.1031 -9.0983 -9.0947 -8.9656 -8.9629 -8.8973 -8.8973 -8.8519 -8.8302 -8.8284 -8.8235 -8.7692 -8.7675 -8.6759 -8.6751 -8.6718 -8.6699 -7.3451 -7.3450 -7.3242 -7.3210 -7.3187 -7.3133 -3.5312 -3.5312 -0.1530 -0.1530 0.0638 0.0652 0.0916 0.0920 2.5695 2.5798 2.6210 2.6405 2.6843 2.6891 2.8011 2.8225 2.8588 2.8755 3.0540 3.0545 3.1480 3.1487 3.1860 3.1868 5.7204 5.7205 8.3020 8.3415 8.4125 8.4617 8.7323 8.7408 8.7835 8.7871 9.0048 9.0091 k = 0.0000 0.0000 0.0845 ( 6745 PWs) bands (ev): -25.3199 -25.3199 -25.2920 -25.2920 -25.2917 -25.2917 -9.3762 -9.3761 -9.1144 -9.1046 -9.1006 -9.0973 -8.9679 -8.9664 -8.8974 -8.8974 -8.8506 -8.8352 -8.8320 -8.8288 -8.7696 -8.7688 -8.6752 -8.6744 -8.6725 -8.6714 -7.3425 -7.3424 -7.3212 -7.3187 -7.3177 -7.3132 -3.5323 -3.5323 -0.1591 -0.1591 0.0610 0.0621 0.0790 0.0794 2.5943 2.6034 2.6335 2.6520 2.6807 2.6862 2.7917 2.8117 2.8364 2.8521 3.0786 3.0786 3.1608 3.1615 3.1900 3.1906 5.6990 5.6991 8.3396 8.3691 8.4243 8.4591 8.7676 8.7726 8.7995 8.8032 8.9871 8.9912 k = 0.0000 0.0000 0.0633 ( 6759 PWs) bands (ev): -25.3201 -25.3201 -25.2919 -25.2919 -25.2917 -25.2917 -9.3688 -9.3687 -9.1127 -9.1059 -9.1027 -9.0998 -8.9701 -8.9694 -8.8975 -8.8975 -8.8491 -8.8389 -8.8356 -8.8331 -8.7700 -8.7697 -8.6745 -8.6739 -8.6730 -8.6724 -7.3406 -7.3406 -7.3186 -7.3167 -7.3167 -7.3133 -3.5332 -3.5332 -0.1643 -0.1643 0.0590 0.0599 0.0693 0.0696 2.6181 2.6249 2.6457 2.6629 2.6783 2.6846 2.7830 2.8006 2.8142 2.8288 3.0950 3.0951 3.1745 3.1749 3.1932 3.1938 5.6814 5.6814 8.3712 8.3895 8.4335 8.4542 8.7996 8.8023 8.8171 8.8207 8.9725 8.9759 k = 0.0000 0.0000 0.0422 ( 6767 PWs) bands (ev): -25.3202 -25.3202 -25.2918 -25.2918 -25.2917 -25.2917 -9.3632 -9.3632 -9.1108 -9.1067 -9.1045 -9.1023 -8.9719 -8.9717 -8.8975 -8.8975 -8.8471 -8.8414 -8.8388 -8.8366 -8.7704 -8.7703 -8.6740 -8.6736 -8.6733 -8.6730 -7.3394 -7.3394 -7.3166 -7.3157 -7.3153 -7.3135 -3.5338 -3.5338 -0.1681 -0.1681 0.0577 0.0583 0.0624 0.0626 2.6387 2.6419 2.6578 2.6728 2.6775 2.6843 2.7763 2.7900 2.7941 2.8066 3.1049 3.1050 3.1866 3.1868 3.1957 3.1960 5.6682 5.6682 8.3953 8.4033 8.4404 8.4491 8.8261 8.8276 8.8341 8.8368 8.9614 8.9637 k = 0.0000 0.0000 0.0211 ( 6775 PWs) bands (ev): -25.3203 -25.3203 -25.2918 -25.2918 -25.2917 -25.2917 -9.3597 -9.3597 -9.1089 -9.1071 -9.1059 -9.1046 -8.9732 -8.9731 -8.8975 -8.8975 -8.8449 -8.8426 -8.8412 -8.8397 -8.7706 -8.7706 -8.6737 -8.6735 -8.6734 -8.6734 -7.3387 -7.3387 -7.3153 -7.3149 -7.3146 -7.3139 -3.5341 -3.5341 -0.1705 -0.1705 0.0571 0.0574 0.0583 0.0584 2.6513 2.6517 2.6709 2.6789 2.6804 2.6843 2.7733 2.7797 2.7811 2.7877 3.1101 3.1101 3.1949 3.1949 3.1972 3.1974 5.6601 5.6601 8.4104 8.4118 8.4441 8.4455 8.8448 8.8457 8.8471 8.8485 8.9542 8.9554 k = 0.0000 0.0000 0.0000 ( 6819 PWs) bands (ev): -25.3203 -25.3203 -25.2918 -25.2918 -25.2918 -25.2918 -9.3586 -9.3586 -9.1068 -9.1068 -9.1068 -9.1068 -8.9736 -8.9736 -8.8975 -8.8975 -8.8425 -8.8425 -8.8425 -8.8425 -8.7707 -8.7707 -8.6735 -8.6735 -8.6735 -8.6735 -7.3384 -7.3384 -7.3145 -7.3145 -7.3145 -7.3145 -3.5342 -3.5342 -0.1713 -0.1713 0.0569 0.0569 0.0569 0.0569 2.6547 2.6547 2.6814 2.6814 2.6814 2.6814 2.7760 2.7760 2.7760 2.7760 3.1117 3.1117 3.1978 3.1978 3.1978 3.1978 5.6573 5.6573 8.4151 8.4151 8.4447 8.4447 8.8523 8.8523 8.8523 8.8523 8.9520 8.9520 k = 0.0000 0.0000 0.0000 ( 6819 PWs) bands (ev): -25.3203 -25.3203 -25.2918 -25.2918 -25.2918 -25.2918 -9.3586 -9.3586 -9.1068 -9.1068 -9.1068 -9.1068 -8.9736 -8.9736 -8.8975 -8.8975 -8.8425 -8.8425 -8.8425 -8.8425 -8.7707 -8.7707 -8.6735 -8.6735 -8.6735 -8.6735 -7.3384 -7.3384 -7.3145 -7.3145 -7.3145 -7.3145 -3.5342 -3.5342 -0.1713 -0.1713 0.0569 0.0569 0.0569 0.0569 2.6547 2.6547 2.6814 2.6814 2.6814 2.6814 2.7760 2.7760 2.7760 2.7760 3.1117 3.1117 3.1978 3.1978 3.1978 3.1978 5.6573 5.6573 8.4151 8.4151 8.4447 8.4447 8.8523 8.8523 8.8523 8.8523 8.9520 8.9520 k = 0.0069 0.0098 0.0170 ( 6783 PWs) bands (ev): -25.3203 -25.3203 -25.2918 -25.2918 -25.2918 -25.2918 -9.3597 -9.3597 -9.1090 -9.1065 -9.1065 -9.1046 -8.9732 -8.9732 -8.8975 -8.8975 -8.8450 -8.8418 -8.8418 -8.8397 -8.7706 -8.7706 -8.6737 -8.6735 -8.6734 -8.6734 -7.3386 -7.3386 -7.3153 -7.3148 -7.3148 -7.3138 -3.5341 -3.5341 -0.1705 -0.1705 0.0570 0.0573 0.0584 0.0584 2.6518 2.6518 2.6707 2.6803 2.6803 2.6829 2.7743 2.7801 2.7801 2.7870 3.1102 3.1102 3.1949 3.1949 3.1973 3.1975 5.6600 5.6600 8.4111 8.4111 8.4448 8.4448 8.8461 8.8463 8.8463 8.8479 8.9551 8.9551 k = 0.0139 0.0196 0.0340 ( 6771 PWs) bands (ev): -25.3202 -25.3202 -25.2918 -25.2918 -25.2918 -25.2918 -9.3631 -9.3631 -9.1110 -9.1056 -9.1056 -9.1023 -8.9718 -8.9718 -8.8975 -8.8975 -8.8474 -8.8400 -8.8400 -8.8367 -8.7703 -8.7703 -8.6741 -8.6736 -8.6731 -8.6731 -7.3393 -7.3393 -7.3163 -7.3157 -7.3157 -7.3135 -3.5338 -3.5338 -0.1682 -0.1682 0.0573 0.0579 0.0627 0.0627 2.6430 2.6431 2.6548 2.6744 2.6786 2.6786 2.7825 2.7909 2.7909 2.8032 3.1051 3.1051 3.1868 3.1868 3.1960 3.1964 5.6679 5.6679 8.3988 8.3988 8.4456 8.4456 8.8298 8.8298 8.8322 8.8348 8.9633 8.9633 k = 0.0208 0.0295 0.0510 ( 6771 PWs) bands (ev): -25.3201 -25.3201 -25.2918 -25.2918 -25.2918 -25.2918 -9.3685 -9.3685 -9.1129 -9.1041 -9.1041 -9.1000 -8.9698 -8.9698 -8.8975 -8.8975 -8.8495 -8.8370 -8.8370 -8.8335 -8.7699 -8.7699 -8.6747 -8.6740 -8.6726 -8.6726 -7.3405 -7.3405 -7.3176 -7.3171 -7.3171 -7.3134 -3.5332 -3.5332 -0.1645 -0.1645 0.0581 0.0590 0.0700 0.0700 2.6298 2.6298 2.6367 2.6598 2.6778 2.6778 2.7969 2.8055 2.8055 2.8215 3.0952 3.0952 3.1750 3.1750 3.1939 3.1945 5.6808 5.6808 8.3777 8.3777 8.4472 8.4472 8.8064 8.8064 8.8144 8.8171 8.9749 8.9749 k = 0.0278 0.0393 0.0680 ( 6753 PWs) bands (ev): -25.3200 -25.3200 -25.2919 -25.2919 -25.2919 -25.2919 -9.3758 -9.3758 -9.1147 -9.1023 -9.1023 -9.0976 -8.9671 -8.9671 -8.8974 -8.8974 -8.8513 -8.8328 -8.8328 -8.8303 -8.7693 -8.7693 -8.6754 -8.6745 -8.6718 -8.6718 -7.3421 -7.3421 -7.3192 -7.3192 -7.3192 -7.3135 -3.5324 -3.5324 -0.1596 -0.1596 0.0591 0.0603 0.0804 0.0804 2.6140 2.6140 2.6179 2.6426 2.6780 2.6780 2.8138 2.8218 2.8218 2.8405 3.0786 3.0786 3.1620 3.1620 3.1910 3.1918 5.6979 5.6979 8.3477 8.3477 8.4493 8.4493 8.7798 8.7799 8.7948 8.7973 8.9890 8.9890 k = 0.0347 0.0491 0.0851 ( 6744 PWs) bands (ev): -25.3198 -25.3198 -25.2920 -25.2920 -25.2920 -25.2920 -9.3847 -9.3847 -9.1163 -9.1003 -9.1003 -9.0952 -8.9640 -8.9640 -8.8973 -8.8973 -8.8529 -8.8276 -8.8276 -8.8269 -8.7685 -8.7685 -8.6763 -8.6752 -8.6707 -8.6707 -7.3443 -7.3443 -7.3216 -7.3216 -7.3209 -7.3139 -3.5313 -3.5313 -0.1538 -0.1538 0.0606 0.0620 0.0940 0.0940 2.5971 2.5971 2.5990 2.6245 2.6788 2.6788 2.8316 2.8386 2.8386 2.8594 3.0535 3.0535 3.1502 3.1502 3.1874 3.1884 5.7187 5.7187 8.3091 8.3091 8.4513 8.4513 8.7537 8.7537 8.7746 8.7765 9.0050 9.0050 k = 0.0417 0.0589 0.1021 ( 6744 PWs) bands (ev): -25.3196 -25.3196 -25.2921 -25.2921 -25.2921 -25.2921 -9.3949 -9.3949 -9.1177 -9.0981 -9.0981 -9.0929 -8.9607 -8.9607 -8.8971 -8.8971 -8.8541 -8.8234 -8.8214 -8.8214 -8.7676 -8.7676 -8.6775 -8.6762 -8.6690 -8.6690 -7.3471 -7.3471 -7.3245 -7.3245 -7.3229 -7.3146 -3.5300 -3.5300 -0.1473 -0.1473 0.0624 0.0641 0.1108 0.1108 2.5801 2.5801 2.5807 2.6065 2.6801 2.6801 2.8491 2.8551 2.8551 2.8778 3.0201 3.0201 3.1405 3.1405 3.1832 3.1843 5.7423 5.7423 8.2627 8.2627 8.4523 8.4523 8.7314 8.7314 8.7540 8.7554 9.0224 9.0224 k = 0.0486 0.0687 0.1191 ( 6750 PWs) bands (ev): -25.3193 -25.3193 -25.2922 -25.2922 -25.2922 -25.2922 -9.4061 -9.4061 -9.1189 -9.0958 -9.0958 -9.0905 -8.9574 -8.9574 -8.8968 -8.8968 -8.8550 -8.8199 -8.8145 -8.8145 -8.7664 -8.7664 -8.6787 -8.6773 -8.6666 -8.6666 -7.3506 -7.3506 -7.3276 -7.3276 -7.3251 -7.3156 -3.5285 -3.5285 -0.1404 -0.1404 0.0645 0.0665 0.1308 0.1308 2.5630 2.5634 2.5634 2.5889 2.6818 2.6818 2.8660 2.8705 2.8705 2.8951 2.9798 2.9798 3.1324 3.1324 3.1784 3.1797 5.7677 5.7677 8.2095 8.2095 8.4513 8.4513 8.7154 8.7154 8.7332 8.7340 9.0410 9.0410 k = 0.0556 0.0786 0.1361 ( 6759 PWs) bands (ev): -25.3190 -25.3190 -25.2924 -25.2924 -25.2924 -25.2924 -9.4181 -9.4181 -9.1199 -9.0936 -9.0936 -9.0882 -8.9543 -8.9543 -8.8964 -8.8964 -8.8556 -8.8163 -8.8071 -8.8071 -8.7651 -8.7651 -8.6802 -8.6786 -8.6632 -8.6632 -7.3547 -7.3547 -7.3309 -7.3309 -7.3275 -7.3169 -3.5267 -3.5267 -0.1332 -0.1332 0.0671 0.0692 0.1541 0.1541 2.5463 2.5475 2.5475 2.5722 2.6839 2.6839 2.8818 2.8837 2.8837 2.9112 2.9350 2.9350 3.1253 3.1253 3.1731 3.1745 5.7940 5.7940 8.1513 8.1513 8.4470 8.4470 8.7076 8.7076 8.7123 8.7124 9.0604 9.0604 k = 0.0625 0.0884 0.1531 ( 6765 PWs) bands (ev): -25.3187 -25.3187 -25.2925 -25.2925 -25.2925 -25.2925 -9.4307 -9.4307 -9.1207 -9.0913 -9.0913 -9.0860 -8.9514 -8.9514 -8.8959 -8.8959 -8.8558 -8.8126 -8.7997 -8.7997 -8.7636 -8.7636 -8.6818 -8.6801 -8.6587 -8.6587 -7.3596 -7.3596 -7.3345 -7.3345 -7.3302 -7.3185 -3.5247 -3.5247 -0.1260 -0.1260 0.0700 0.0723 0.1804 0.1804 2.5307 2.5325 2.5325 2.5565 2.6863 2.6863 2.8766 2.8766 2.8961 2.9046 2.9046 2.9256 3.1188 3.1188 3.1676 3.1690 5.8203 5.8203 8.0897 8.0897 8.4390 8.4390 8.6906 8.6911 8.7090 8.7090 9.0806 9.0806 k = 0.0694 0.0982 0.1701 ( 6753 PWs) bands (ev): -25.3183 -25.3183 -25.2927 -25.2927 -25.2927 -25.2927 -9.4437 -9.4437 -9.1213 -9.0892 -9.0892 -9.0838 -8.9488 -8.9488 -8.8952 -8.8952 -8.8556 -8.8089 -8.7925 -8.7925 -8.7620 -8.7620 -8.6836 -8.6817 -8.6526 -8.6526 -7.3651 -7.3651 -7.3381 -7.3381 -7.3330 -7.3204 -3.5225 -3.5225 -0.1187 -0.1187 0.0732 0.0758 0.2094 0.2094 2.5165 2.5186 2.5186 2.5421 2.6892 2.6892 2.8272 2.8272 2.9089 2.9116 2.9116 2.9383 3.1129 3.1129 3.1618 3.1631 5.8458 5.8458 8.0267 8.0267 8.4272 8.4272 8.6682 8.6695 8.7193 8.7193 9.1015 9.1015 k = 0.0764 0.1080 0.1871 ( 6744 PWs) bands (ev): -25.3179 -25.3179 -25.2929 -25.2929 -25.2929 -25.2929 -9.4570 -9.4570 -9.1216 -9.0870 -9.0870 -9.0816 -8.9466 -8.9466 -8.8945 -8.8945 -8.8551 -8.8052 -8.7860 -8.7860 -8.7602 -8.7602 -8.6855 -8.6836 -8.6447 -8.6447 -7.3712 -7.3712 -7.3419 -7.3419 -7.3362 -7.3226 -3.5201 -3.5201 -0.1115 -0.1115 0.0769 0.0796 0.2408 0.2408 2.5035 2.5061 2.5061 2.5289 2.6924 2.6924 2.7724 2.7724 2.9197 2.9197 2.9197 2.9489 3.1075 3.1075 3.1559 3.1571 5.8696 5.8696 7.9637 7.9637 8.4122 8.4122 8.6453 8.6472 8.7379 8.7379 9.1231 9.1231 k = 0.0833 0.1179 0.2041 ( 6744 PWs) bands (ev): -25.3175 -25.3175 -25.2931 -25.2931 -25.2931 -25.2931 -9.4704 -9.4704 -9.1216 -9.0849 -9.0849 -9.0796 -8.9447 -8.9447 -8.8936 -8.8936 -8.8541 -8.8016 -8.7804 -8.7804 -8.7585 -8.7585 -8.6876 -8.6857 -8.6349 -8.6349 -7.3778 -7.3778 -7.3458 -7.3458 -7.3395 -7.3252 -3.5175 -3.5175 -0.1042 -0.1042 0.0809 0.0838 0.2740 0.2740 2.4921 2.4949 2.4949 2.5172 2.6958 2.6958 2.7164 2.7164 2.9258 2.9258 2.9286 2.9572 3.1026 3.1026 3.1501 3.1509 5.8911 5.8911 7.9023 7.9023 8.3944 8.3944 8.6214 8.6239 8.7637 8.7637 9.1455 9.1455 k = 0.0903 0.1277 0.2211 ( 6732 PWs) bands (ev): -25.3171 -25.3171 -25.2933 -25.2933 -25.2933 -25.2933 -9.4837 -9.4837 -9.1213 -9.0828 -9.0828 -9.0776 -8.9432 -8.9432 -8.8926 -8.8926 -8.8528 -8.7979 -8.7759 -8.7759 -8.7568 -8.7568 -8.6898 -8.6879 -8.6232 -8.6232 -7.3849 -7.3849 -7.3499 -7.3499 -7.3431 -7.3281 -3.5147 -3.5147 -0.0970 -0.0970 0.0854 0.0883 0.3087 0.3087 2.4821 2.4851 2.4851 2.5070 2.6596 2.6596 2.7002 2.7002 2.9294 2.9294 2.9352 2.9631 3.0983 3.0983 3.1445 3.1448 5.9098 5.9098 7.8435 7.8435 8.3743 8.3743 8.5964 8.5995 8.7959 8.7959 9.1687 9.1687 k = 0.0972 0.1375 0.2381 ( 6735 PWs) bands (ev): -25.3166 -25.3166 -25.2935 -25.2935 -25.2935 -25.2935 -9.4970 -9.4970 -9.1208 -9.0807 -9.0807 -9.0756 -8.9421 -8.9421 -8.8914 -8.8914 -8.8511 -8.7943 -8.7724 -8.7724 -8.7553 -8.7553 -8.6922 -8.6903 -8.6096 -8.6096 -7.3923 -7.3923 -7.3542 -7.3542 -7.3469 -7.3314 -3.5118 -3.5118 -0.0898 -0.0898 0.0902 0.0933 0.3440 0.3440 2.4738 2.4768 2.4768 2.4983 2.6039 2.6039 2.7045 2.7045 2.9304 2.9304 2.9396 2.9664 3.0946 3.0946 3.1387 3.1392 5.9254 5.9254 7.7882 7.7882 8.3524 8.3524 8.5701 8.5736 8.8338 8.8338 9.1929 9.1929 k = 0.1042 0.1473 0.2552 ( 6741 PWs) bands (ev): -25.3161 -25.3161 -25.2938 -25.2938 -25.2938 -25.2938 -9.5101 -9.5101 -9.1200 -9.0785 -9.0785 -9.0738 -8.9413 -8.9413 -8.8900 -8.8900 -8.8491 -8.7907 -8.7699 -8.7699 -8.7540 -8.7540 -8.6947 -8.6929 -8.5944 -8.5944 -7.3999 -7.3999 -7.3587 -7.3587 -7.3510 -7.3350 -3.5087 -3.5087 -0.0825 -0.0825 0.0955 0.0986 0.3794 0.3794 2.4670 2.4700 2.4700 2.4911 2.5498 2.5498 2.7094 2.7094 2.9289 2.9289 2.9418 2.9673 3.0912 3.0912 3.1326 3.1341 5.9375 5.9375 7.7371 7.7371 8.3288 8.3288 8.5423 8.5462 8.8766 8.8766 9.2183 9.2183 k = 0.1111 0.1571 0.2722 ( 6741 PWs) bands (ev): -25.3156 -25.3156 -25.2940 -25.2940 -25.2940 -25.2940 -9.5230 -9.5230 -9.1189 -9.0764 -9.0764 -9.0720 -8.9408 -8.9408 -8.8885 -8.8885 -8.8467 -8.7872 -8.7682 -8.7682 -8.7526 -8.7526 -8.6973 -8.6957 -8.5779 -8.5779 -7.4077 -7.4077 -7.3634 -7.3634 -7.3553 -7.3390 -3.5055 -3.5055 -0.0751 -0.0751 0.1012 0.1043 0.4141 0.4141 2.4618 2.4645 2.4645 2.4855 2.4984 2.4984 2.7147 2.7147 2.9250 2.9250 2.9417 2.9656 3.0882 3.0882 3.1266 3.1292 5.9461 5.9461 7.6906 7.6906 8.3035 8.3035 8.5128 8.5170 8.9239 8.9239 9.2447 9.2447 k = 0.1181 0.1670 0.2892 ( 6750 PWs) bands (ev): -25.3151 -25.3151 -25.2943 -25.2943 -25.2943 -25.2943 -9.5355 -9.5355 -9.1174 -9.0742 -9.0742 -9.0702 -8.9406 -8.9406 -8.8867 -8.8867 -8.8440 -8.7837 -8.7675 -8.7675 -8.7513 -8.7513 -8.7000 -8.6986 -8.5604 -8.5604 -7.4156 -7.4156 -7.3684 -7.3684 -7.3597 -7.3433 -3.5023 -3.5023 -0.0676 -0.0676 0.1074 0.1105 0.4472 0.4472 2.4477 2.4477 2.4582 2.4632 2.4632 2.4815 2.7205 2.7205 2.9191 2.9191 2.9395 2.9618 3.0851 3.0851 3.1206 3.1244 5.9514 5.9514 7.6490 7.6490 8.2766 8.2766 8.4816 8.4861 8.9751 8.9751 9.2725 9.2725 k = 0.1250 0.1768 0.3062 ( 6711 PWs) bands (ev): -25.3144 -25.3144 -25.2945 -25.2945 -25.2945 -25.2945 -9.5477 -9.5477 -9.1157 -9.0719 -9.0719 -9.0685 -8.9408 -8.9408 -8.8847 -8.8847 -8.8410 -8.7804 -8.7676 -8.7676 -8.7498 -8.7498 -8.7028 -8.7017 -8.5422 -8.5422 -7.4234 -7.4234 -7.3735 -7.3735 -7.3644 -7.3479 -3.4990 -3.4990 -0.0599 -0.0599 0.1140 0.1171 0.4780 0.4780 2.4048 2.4048 2.4562 2.4599 2.4599 2.4790 2.7268 2.7268 2.9115 2.9115 2.9354 2.9558 3.0817 3.0817 3.1144 3.1194 5.9537 5.9537 7.6124 7.6124 8.2482 8.2482 8.4487 8.4533 9.0295 9.0295 9.3014 9.3014 k = 0.1319 0.1866 0.3232 ( 6741 PWs) bands (ev): -25.3138 -25.3138 -25.2949 -25.2949 -25.2949 -25.2949 -9.5594 -9.5594 -9.1137 -9.0697 -9.0697 -9.0669 -8.9412 -8.9412 -8.8825 -8.8825 -8.8377 -8.7772 -8.7684 -8.7684 -8.7482 -8.7482 -8.7057 -8.7049 -8.5236 -8.5236 -7.4310 -7.4310 -7.3789 -7.3789 -7.3693 -7.3528 -3.4957 -3.4957 -0.0520 -0.0520 0.1211 0.1241 0.5055 0.5055 2.3659 2.3659 2.4556 2.4591 2.4591 2.4779 2.7335 2.7335 2.9023 2.9023 2.9294 2.9482 3.0778 3.0778 3.1080 3.1141 5.9532 5.9532 7.5808 7.5808 8.2184 8.2184 8.4142 8.4188 9.0865 9.0865 9.3314 9.3314 k = 0.1389 0.1964 0.3402 ( 6741 PWs) bands (ev): -25.3132 -25.3132 -25.2952 -25.2952 -25.2952 -25.2952 -9.5707 -9.5707 -9.1114 -9.0674 -9.0674 -9.0653 -8.9419 -8.9419 -8.8800 -8.8800 -8.8342 -8.7741 -8.7697 -8.7697 -8.7465 -8.7465 -8.7087 -8.7083 -8.5048 -8.5048 -7.4384 -7.4384 -7.3844 -7.3844 -7.3743 -7.3580 -3.4925 -3.4925 -0.0438 -0.0438 0.1286 0.1316 0.5289 0.5289 2.3329 2.3329 2.4566 2.4598 2.4598 2.4782 2.7408 2.7408 2.8919 2.8919 2.9219 2.9390 3.0731 3.0731 3.1011 3.1082 5.9505 5.9505 7.5541 7.5541 8.1872 8.1872 8.3782 8.3827 9.1454 9.1454 9.3624 9.3624 k = 0.1458 0.2062 0.3572 ( 6735 PWs) bands (ev): -25.3125 -25.3125 -25.2955 -25.2955 -25.2955 -25.2955 -9.5815 -9.5815 -9.1088 -9.0651 -9.0651 -9.0637 -8.9428 -8.9428 -8.8772 -8.8772 -8.8304 -8.7715 -8.7715 -8.7711 -8.7448 -8.7448 -8.7118 -8.7118 -8.4860 -8.4860 -7.4455 -7.4455 -7.3900 -7.3900 -7.3795 -7.3635 -3.4893 -3.4893 -0.0354 -0.0354 0.1367 0.1395 0.5475 0.5475 2.3066 2.3066 2.4589 2.4619 2.4619 2.4799 2.7486 2.7486 2.8806 2.8806 2.9131 2.9285 3.0677 3.0677 3.0938 3.1017 5.9461 5.9461 7.5322 7.5322 8.1549 8.1549 8.3409 8.3453 9.2054 9.2054 9.3940 9.3940 k = 0.1528 0.2161 0.3742 ( 6723 PWs) bands (ev): -25.3119 -25.3119 -25.2958 -25.2958 -25.2958 -25.2958 -9.5918 -9.5918 -9.1059 -9.0628 -9.0628 -9.0622 -8.9439 -8.9439 -8.8743 -8.8743 -8.8265 -8.7736 -8.7736 -8.7683 -8.7432 -8.7432 -8.7155 -8.7149 -8.4675 -8.4675 -7.4521 -7.4521 -7.3958 -7.3958 -7.3848 -7.3692 -3.4863 -3.4863 -0.0268 -0.0268 0.1453 0.1480 0.5606 0.5606 2.2875 2.2875 2.4626 2.4653 2.4653 2.4829 2.7569 2.7569 2.8683 2.8683 2.9029 2.9169 3.0614 3.0614 3.0858 3.0944 5.9404 5.9404 7.5148 7.5148 8.1216 8.1216 8.3025 8.3067 9.2655 9.2655 9.4262 9.4262 k = 0.1597 0.2259 0.3912 ( 6726 PWs) bands (ev): -25.3112 -25.3112 -25.2962 -25.2962 -25.2962 -25.2962 -9.6015 -9.6015 -9.1028 -9.0607 -9.0605 -9.0605 -8.9451 -8.9451 -8.8711 -8.8711 -8.8224 -8.7759 -8.7759 -8.7657 -8.7416 -8.7416 -8.7192 -8.7180 -8.4495 -8.4495 -7.4583 -7.4583 -7.4016 -7.4016 -7.3902 -7.3751 -3.4833 -3.4833 -0.0178 -0.0178 0.1543 0.1569 0.5678 0.5678 2.2761 2.2761 2.4674 2.4699 2.4699 2.4870 2.7658 2.7658 2.8553 2.8553 2.8917 2.9043 3.0541 3.0541 3.0773 3.0862 5.9339 5.9339 7.5019 7.5019 8.0876 8.0876 8.2634 8.2673 9.3248 9.3248 9.4584 9.4584 k = 0.1667 0.2357 0.4082 ( 6702 PWs) bands (ev): -25.3104 -25.3104 -25.2965 -25.2965 -25.2965 -25.2965 -9.6106 -9.6106 -9.0994 -9.0592 -9.0583 -9.0583 -8.9464 -8.9464 -8.8678 -8.8678 -8.8182 -8.7783 -8.7783 -8.7633 -8.7402 -8.7402 -8.7230 -8.7211 -8.4320 -8.4320 -7.4639 -7.4639 -7.4075 -7.4075 -7.3956 -7.3812 -3.4806 -3.4806 -0.0087 -0.0087 0.1640 0.1663 0.5688 0.5688 2.2724 2.2724 2.4734 2.4755 2.4755 2.4922 2.7752 2.7752 2.8416 2.8416 2.8793 2.8909 3.0460 3.0460 3.0682 3.0773 5.9271 5.9271 7.4932 7.4932 8.0533 8.0533 8.2237 8.2274 9.3821 9.3821 9.4904 9.4904 k = 0.1736 0.2455 0.4253 ( 6726 PWs) bands (ev): -25.3097 -25.3097 -25.2969 -25.2969 -25.2969 -25.2969 -9.6191 -9.6191 -9.0958 -9.0578 -9.0562 -9.0562 -8.9477 -8.9477 -8.8644 -8.8644 -8.8141 -8.7808 -8.7808 -8.7613 -8.7389 -8.7389 -8.7268 -8.7242 -8.4154 -8.4154 -7.4688 -7.4688 -7.4134 -7.4134 -7.4010 -7.3874 -3.4780 -3.4780 0.0008 0.0008 0.1741 0.1763 0.5639 0.5639 2.2763 2.2763 2.4805 2.4822 2.4822 2.4983 2.7850 2.7850 2.8273 2.8273 2.8660 2.8765 3.0370 3.0370 3.0585 3.0675 5.9204 5.9204 7.4884 7.4884 8.0190 8.0190 8.1840 8.1873 9.4362 9.4362 9.5220 9.5220 k = 0.1806 0.2553 0.4423 ( 6729 PWs) bands (ev): -25.3090 -25.3090 -25.2973 -25.2973 -25.2973 -25.2973 -9.6270 -9.6270 -9.0920 -9.0565 -9.0542 -9.0542 -8.9490 -8.9490 -8.8608 -8.8608 -8.8098 -8.7833 -8.7833 -8.7596 -8.7377 -8.7377 -8.7306 -8.7272 -8.3997 -8.3997 -7.4730 -7.4730 -7.4191 -7.4191 -7.4064 -7.3936 -3.4756 -3.4756 0.0104 0.0104 0.1847 0.1868 0.5532 0.5532 2.2875 2.2875 2.4884 2.4897 2.4897 2.5054 2.7949 2.7949 2.8127 2.8127 2.8516 2.8613 3.0274 3.0274 3.0484 3.0571 5.9139 5.9139 7.4875 7.4875 7.9851 7.9851 8.1445 8.1474 9.4857 9.4857 9.5527 9.5527 k = 0.1875 0.2652 0.4593 ( 6729 PWs) bands (ev): -25.3083 -25.3083 -25.2976 -25.2976 -25.2976 -25.2976 -9.6342 -9.6342 -9.0880 -9.0552 -9.0524 -9.0524 -8.9503 -8.9503 -8.8573 -8.8573 -8.8057 -8.7857 -8.7857 -8.7585 -8.7368 -8.7368 -8.7340 -8.7301 -8.3850 -8.3850 -7.4765 -7.4765 -7.4248 -7.4248 -7.4117 -7.3999 -3.4734 -3.4734 0.0202 0.0202 0.1959 0.1978 0.5374 0.5374 2.3051 2.3051 2.4972 2.4981 2.4981 2.5131 2.7942 2.7942 2.8085 2.8085 2.8361 2.8451 3.0172 3.0172 3.0380 3.0461 5.9081 5.9081 7.4901 7.4901 7.9522 7.9522 8.1056 8.1082 9.5294 9.5294 9.5827 9.5827 k = 0.1944 0.2750 0.4763 ( 6735 PWs) bands (ev): -25.3075 -25.3075 -25.2980 -25.2980 -25.2980 -25.2980 -9.6407 -9.6407 -9.0839 -9.0541 -9.0508 -9.0508 -8.9514 -8.9514 -8.8538 -8.8538 -8.8018 -8.7878 -8.7878 -8.7583 -8.7369 -8.7361 -8.7361 -8.7328 -8.3716 -8.3716 -7.4792 -7.4792 -7.4302 -7.4302 -7.4169 -7.4062 -3.4715 -3.4715 0.0301 0.0301 0.2077 0.2093 0.5173 0.5173 2.3285 2.3285 2.5066 2.5072 2.5072 2.5216 2.7783 2.7783 2.8192 2.8192 2.8194 2.8279 3.0067 3.0067 3.0273 3.0347 5.9029 5.9029 7.4961 7.4961 7.9208 7.9208 8.0676 8.0698 9.5662 9.5662 9.6116 9.6116 k = 0.2014 0.2848 0.4933 ( 6741 PWs) bands (ev): -25.3068 -25.3068 -25.2984 -25.2984 -25.2984 -25.2984 -9.6465 -9.6465 -9.0797 -9.0530 -9.0495 -9.0495 -8.9523 -8.9523 -8.8504 -8.8504 -8.7980 -8.7897 -8.7897 -8.7591 -8.7390 -8.7356 -8.7356 -8.7353 -8.3595 -8.3595 -7.4810 -7.4810 -7.4353 -7.4353 -7.4219 -7.4124 -3.4698 -3.4698 0.0400 0.0400 0.2199 0.2213 0.4938 0.4938 2.3566 2.3566 2.5167 2.5169 2.5169 2.5305 2.7607 2.7607 2.8015 2.8096 2.8311 2.8311 2.9959 2.9959 3.0165 3.0231 5.8984 5.8984 7.5049 7.5049 7.8914 7.8914 8.0310 8.0328 9.5959 9.5959 9.6387 9.6387 k = 0.2083 0.2946 0.5103 ( 6735 PWs) bands (ev): -25.3060 -25.3060 -25.2988 -25.2988 -25.2988 -25.2988 -9.6516 -9.6516 -9.0753 -9.0521 -9.0485 -9.0485 -8.9531 -8.9531 -8.8473 -8.8473 -8.7946 -8.7912 -8.7912 -8.7612 -8.7401 -8.7374 -8.7354 -8.7354 -8.3488 -8.3488 -7.4821 -7.4821 -7.4399 -7.4399 -7.4267 -7.4184 -3.4684 -3.4684 0.0498 0.0498 0.2327 0.2339 0.4678 0.4678 2.3884 2.3884 2.5272 2.5272 2.5272 2.5399 2.7419 2.7419 2.7823 2.7901 2.8436 2.8436 2.9851 2.9851 3.0058 3.0114 5.8947 5.8947 7.5162 7.5162 7.8650 7.8650 7.9959 7.9974 9.6194 9.6194 9.6627 9.6627 k = 0.2153 0.3044 0.5273 ( 6744 PWs) bands (ev): -25.3052 -25.3052 -25.2992 -25.2992 -25.2992 -25.2992 -9.6559 -9.6559 -9.0710 -9.0513 -9.0479 -9.0479 -8.9536 -8.9536 -8.8446 -8.8446 -8.7922 -8.7922 -8.7917 -8.7644 -8.7404 -8.7391 -8.7354 -8.7354 -8.3397 -8.3397 -7.4825 -7.4825 -7.4440 -7.4440 -7.4312 -7.4242 -3.4672 -3.4672 0.0593 0.0593 0.2460 0.2470 0.4403 0.4403 2.4228 2.4228 2.5381 2.5381 2.5381 2.5496 2.7220 2.7220 2.7617 2.7693 2.8566 2.8566 2.9745 2.9745 2.9953 2.9998 5.8918 5.8918 7.5291 7.5291 7.8425 7.8425 7.9628 7.9639 9.6376 9.6376 9.6825 9.6825 k = 0.2222 0.3143 0.5443 ( 6753 PWs) bands (ev): -25.3044 -25.3044 -25.2996 -25.2996 -25.2996 -25.2996 -9.6595 -9.6595 -9.0667 -9.0507 -9.0477 -9.0477 -8.9539 -8.9539 -8.8423 -8.8423 -8.7925 -8.7925 -8.7893 -8.7682 -8.7403 -8.7403 -8.7356 -8.7356 -8.3322 -8.3322 -7.4823 -7.4823 -7.4473 -7.4473 -7.4354 -7.4298 -3.4663 -3.4663 0.0681 0.0681 0.2597 0.2605 0.4124 0.4124 2.4586 2.4586 2.5491 2.5495 2.5495 2.5594 2.7011 2.7011 2.7398 2.7472 2.8699 2.8699 2.9645 2.9645 2.9850 2.9884 5.8896 5.8896 7.5425 7.5425 7.8251 7.8251 7.9318 7.9326 9.6513 9.6513 9.6978 9.6978 k = 0.2292 0.3241 0.5613 ( 6759 PWs) bands (ev): -25.3036 -25.3036 -25.3000 -25.3000 -25.3000 -25.3000 -9.6623 -9.6623 -9.0624 -9.0503 -9.0479 -9.0479 -8.9540 -8.9540 -8.8406 -8.8406 -8.7921 -8.7921 -8.7876 -8.7726 -8.7408 -8.7399 -8.7361 -8.7361 -8.3263 -8.3263 -7.4818 -7.4818 -7.4496 -7.4496 -7.4393 -7.4350 -3.4656 -3.4656 0.0761 0.0761 0.2740 0.2745 0.3852 0.3852 2.4943 2.4943 2.5600 2.5616 2.5616 2.5690 2.6796 2.6796 2.7168 2.7237 2.8831 2.8831 2.9553 2.9553 2.9752 2.9774 5.8879 5.8879 7.5549 7.5549 7.8143 7.8143 7.9032 7.9038 9.6611 9.6611 9.7089 9.7089 k = 0.2361 0.3339 0.5784 ( 6750 PWs) bands (ev): -25.3028 -25.3028 -25.3004 -25.3004 -25.3004 -25.3004 -9.6643 -9.6643 -9.0583 -9.0501 -9.0484 -9.0484 -8.9540 -8.9540 -8.8395 -8.8395 -8.7909 -8.7909 -8.7866 -8.7772 -8.7407 -8.7394 -8.7368 -8.7368 -8.3221 -8.3221 -7.4813 -7.4813 -7.4506 -7.4506 -7.4427 -7.4398 -3.4651 -3.4651 0.0825 0.0825 0.2886 0.2890 0.3598 0.3598 2.5276 2.5276 2.5706 2.5744 2.5744 2.5779 2.6587 2.6587 2.6930 2.6992 2.8956 2.8956 2.9479 2.9479 2.9657 2.9670 5.8868 5.8868 7.5646 7.5646 7.8117 7.8117 7.8772 7.8775 9.6677 9.6677 9.7164 9.7164 k = 0.2431 0.3437 0.5954 ( 6726 PWs) bands (ev): -25.3020 -25.3020 -25.3008 -25.3008 -25.3008 -25.3008 -9.6655 -9.6655 -9.0543 -9.0503 -9.0494 -9.0494 -8.9539 -8.9539 -8.8390 -8.8390 -8.7890 -8.7890 -8.7862 -8.7818 -8.7399 -8.7389 -8.7376 -8.7376 -8.3196 -8.3196 -7.4809 -7.4809 -7.4501 -7.4501 -7.4456 -7.4442 -3.4648 -3.4648 0.0869 0.0869 0.3038 0.3040 0.3374 0.3374 2.5546 2.5546 2.5800 2.5848 2.5855 2.5855 2.6439 2.6439 2.6697 2.6740 2.9053 2.9053 2.9444 2.9444 2.9568 2.9573 5.8862 5.8862 7.5705 7.5705 7.8182 7.8182 7.8539 7.8540 9.6714 9.6714 9.7213 9.7213 k = 0.2500 0.3536 0.6124 ( 6708 PWs) bands (ev): -25.3012 -25.3012 -25.3012 -25.3012 -25.3012 -25.3012 -9.6659 -9.6659 -9.0507 -9.0507 -9.0507 -9.0507 -8.9539 -8.9539 -8.8388 -8.8388 -8.7865 -8.7865 -8.7865 -8.7865 -8.7385 -8.7385 -8.7385 -8.7385 -8.3187 -8.3187 -7.4808 -7.4808 -7.4480 -7.4480 -7.4480 -7.4480 -3.4647 -3.4647 0.0885 0.0885 0.3193 0.3193 0.3193 0.3193 2.5680 2.5680 2.5862 2.5862 2.5862 2.5862 2.6502 2.6502 2.6502 2.6502 2.9088 2.9088 2.9484 2.9484 2.9484 2.9484 5.8860 5.8860 7.5722 7.5722 7.8334 7.8334 7.8334 7.8334 9.6727 9.6727 9.7247 9.7247 k = 0.2500 0.3536 0.6124 ( 6708 PWs) bands (ev): -25.3012 -25.3012 -25.3012 -25.3012 -25.3012 -25.3012 -9.6659 -9.6659 -9.0507 -9.0507 -9.0507 -9.0507 -8.9539 -8.9539 -8.8388 -8.8388 -8.7865 -8.7865 -8.7865 -8.7865 -8.7385 -8.7385 -8.7385 -8.7385 -8.3187 -8.3187 -7.4808 -7.4808 -7.4480 -7.4480 -7.4480 -7.4480 -3.4647 -3.4647 0.0885 0.0885 0.3193 0.3193 0.3193 0.3193 2.5680 2.5680 2.5862 2.5862 2.5862 2.5862 2.6502 2.6502 2.6502 2.6502 2.9088 2.9088 2.9484 2.9484 2.9484 2.9484 5.8860 5.8860 7.5722 7.5722 7.8334 7.8334 7.8334 7.8334 9.6727 9.6727 9.7247 9.7247 k = 0.2569 0.3339 0.6124 ( 6720 PWs) bands (ev): -25.3016 -25.3016 -25.3016 -25.3016 -25.3004 -25.3004 -9.6655 -9.6655 -9.0523 -9.0523 -9.0514 -9.0473 -8.9540 -8.9540 -8.8389 -8.8389 -8.7912 -8.7873 -8.7838 -8.7838 -8.7395 -8.7395 -8.7383 -8.7368 -8.3196 -8.3196 -7.4808 -7.4808 -7.4513 -7.4499 -7.4445 -7.4445 -3.4648 -3.4648 0.0868 0.0868 0.3064 0.3064 0.3350 0.3352 2.5530 2.5530 2.5756 2.5828 2.5935 2.5935 2.6339 2.6409 2.6749 2.6749 2.9066 2.9066 2.9407 2.9409 2.9595 2.9595 5.8862 5.8862 7.5709 7.5709 7.8156 7.8157 7.8559 7.8559 9.6712 9.6712 9.7194 9.7195 k = 0.2639 0.3143 0.6124 ( 6762 PWs) bands (ev): -25.3020 -25.3020 -25.3020 -25.3020 -25.2997 -25.2997 -9.6643 -9.6643 -9.0542 -9.0542 -9.0525 -9.0445 -8.9543 -8.9543 -8.8391 -8.8391 -8.7957 -8.7884 -8.7810 -8.7810 -8.7403 -8.7403 -8.7381 -8.7348 -8.3220 -8.3220 -7.4808 -7.4808 -7.4540 -7.4512 -7.4397 -7.4397 -3.4650 -3.4650 0.0817 0.0817 0.2992 0.2992 0.3511 0.3515 2.5260 2.5260 2.5528 2.5635 2.6036 2.6036 2.6311 2.6417 2.7042 2.7042 2.9026 2.9026 2.9342 2.9343 2.9740 2.9740 5.8868 5.8868 7.5676 7.5676 7.8006 7.8007 7.8835 7.8835 9.6663 9.6663 9.7101 9.7104 k = 0.2708 0.2946 0.6124 ( 6752 PWs) bands (ev): -25.3024 -25.3024 -25.3024 -25.3024 -25.2989 -25.2989 -9.6622 -9.6622 -9.0563 -9.0563 -9.0540 -9.0421 -8.9550 -8.9550 -8.8393 -8.8393 -8.7999 -8.7897 -8.7784 -8.7784 -8.7407 -8.7407 -8.7380 -8.7326 -8.3261 -8.3261 -7.4806 -7.4806 -7.4560 -7.4519 -7.4341 -7.4341 -3.4654 -3.4654 0.0737 0.0737 0.2975 0.2975 0.3675 0.3681 2.4956 2.4956 2.5237 2.5349 2.6123 2.6123 2.6350 2.6466 2.7332 2.7332 2.8991 2.8991 2.9290 2.9295 2.9901 2.9901 5.8878 5.8878 7.5637 7.5637 7.7883 7.7884 7.9142 7.9142 9.6571 9.6571 9.6968 9.6972 k = 0.2778 0.2750 0.6124 ( 6764 PWs) bands (ev): -25.3028 -25.3028 -25.3028 -25.3028 -25.2981 -25.2981 -9.6593 -9.6593 -9.0586 -9.0586 -9.0559 -9.0403 -8.9561 -8.9561 -8.8393 -8.8393 -8.8039 -8.7911 -8.7763 -8.7763 -8.7405 -8.7405 -8.7381 -8.7304 -8.3316 -8.3316 -7.4800 -7.4800 -7.4573 -7.4519 -7.4279 -7.4279 -3.4658 -3.4658 0.0641 0.0641 0.3004 0.3004 0.3842 0.3849 2.4632 2.4632 2.4914 2.5025 2.6190 2.6190 2.6397 2.6520 2.7602 2.7602 2.8970 2.8970 2.9254 2.9268 3.0070 3.0070 5.8893 5.8893 7.5599 7.5599 7.7786 7.7787 7.9462 7.9462 9.6435 9.6435 9.6796 9.6801 k = 0.2847 0.2553 0.6124 ( 6755 PWs) bands (ev): -25.3032 -25.3032 -25.3032 -25.3032 -25.2973 -25.2973 -9.6554 -9.6554 -9.0611 -9.0611 -9.0582 -9.0391 -8.9576 -8.9576 -8.8390 -8.8390 -8.8075 -8.7925 -8.7751 -8.7751 -8.7395 -8.7395 -8.7382 -8.7282 -8.3386 -8.3386 -7.4789 -7.4789 -7.4580 -7.4513 -7.4211 -7.4211 -3.4663 -3.4663 0.0539 0.0539 0.3069 0.3069 0.4012 0.4021 2.4294 2.4294 2.4573 2.4681 2.6233 2.6233 2.6431 2.6563 2.7842 2.7842 2.8970 2.8970 2.9239 2.9265 3.0245 3.0245 5.8912 5.8912 7.5567 7.5567 7.7713 7.7713 7.9777 7.9777 9.6257 9.6257 9.6586 9.6594 k = 0.2917 0.2357 0.6124 ( 6743 PWs) bands (ev): -25.3035 -25.3035 -25.3035 -25.3035 -25.2966 -25.2966 -9.6508 -9.6508 -9.0638 -9.0638 -9.0609 -9.0387 -8.9598 -8.9598 -8.8385 -8.8385 -8.8107 -8.7939 -8.7748 -8.7748 -8.7385 -8.7376 -8.7376 -8.7261 -8.3470 -8.3470 -7.4771 -7.4771 -7.4578 -7.4501 -7.4141 -7.4141 -3.4669 -3.4669 0.0443 0.0443 0.3163 0.3163 0.4184 0.4194 2.3945 2.3945 2.4218 2.4322 2.6249 2.6249 2.6443 2.6585 2.8047 2.8047 2.8997 2.8997 2.9250 2.9292 3.0425 3.0425 5.8937 5.8937 7.5543 7.5543 7.7660 7.7662 8.0075 8.0075 9.6041 9.6041 9.6343 9.6353 k = 0.2986 0.2161 0.6124 ( 6734 PWs) bands (ev): -25.3039 -25.3039 -25.3039 -25.3039 -25.2958 -25.2958 -9.6452 -9.6452 -9.0665 -9.0665 -9.0640 -9.0391 -8.9626 -8.9626 -8.8378 -8.8378 -8.8134 -8.7952 -8.7753 -8.7753 -8.7388 -8.7348 -8.7348 -8.7241 -8.3568 -8.3568 -7.4748 -7.4748 -7.4570 -7.4482 -7.4069 -7.4069 -3.4675 -3.4675 0.0362 0.0362 0.3277 0.3277 0.4358 0.4369 2.3586 2.3586 2.3854 2.3953 2.6234 2.6234 2.6427 2.6579 2.8213 2.8213 2.9054 2.9054 2.9292 2.9349 3.0607 3.0607 5.8966 5.8966 7.5528 7.5528 7.7624 7.7628 8.0345 8.0345 9.5794 9.5794 9.6068 9.6081 k = 0.3056 0.1964 0.6124 ( 6740 PWs) bands (ev): -25.3043 -25.3043 -25.3043 -25.3043 -25.2951 -25.2951 -9.6388 -9.6388 -9.0693 -9.0693 -9.0676 -9.0403 -8.9660 -8.9660 -8.8367 -8.8367 -8.8156 -8.7963 -8.7766 -8.7766 -8.7391 -8.7312 -8.7312 -8.7223 -8.3677 -8.3677 -7.4719 -7.4719 -7.4554 -7.4457 -7.3997 -7.3997 -3.4681 -3.4681 0.0302 0.0302 0.3406 0.3406 0.4534 0.4546 2.3221 2.3221 2.3481 2.3576 2.6188 2.6188 2.6382 2.6543 2.8339 2.8339 2.9141 2.9141 2.9366 2.9439 3.0792 3.0792 5.9000 5.9000 7.5519 7.5519 7.7603 7.7610 8.0577 8.0577 9.5519 9.5519 9.5767 9.5783 k = 0.3125 0.1768 0.6124 ( 6752 PWs) bands (ev): -25.3046 -25.3046 -25.3046 -25.3046 -25.2944 -25.2944 -9.6315 -9.6315 -9.0723 -9.0723 -9.0716 -9.0423 -8.9699 -8.9699 -8.8355 -8.8355 -8.8173 -8.7974 -8.7784 -8.7784 -8.7396 -8.7272 -8.7272 -8.7206 -8.3799 -8.3799 -7.4683 -7.4683 -7.4530 -7.4425 -7.3925 -7.3925 -3.4687 -3.4687 0.0267 0.0267 0.3546 0.3546 0.4710 0.4724 2.2850 2.2850 2.3103 2.3194 2.6110 2.6110 2.6307 2.6475 2.8422 2.8422 2.9259 2.9259 2.9473 2.9559 3.0979 3.0979 5.9038 5.9038 7.5516 7.5516 7.7593 7.7602 8.0764 8.0764 9.5223 9.5223 9.5444 9.5463 k = 0.3194 0.1571 0.6124 ( 6746 PWs) bands (ev): -25.3050 -25.3050 -25.3050 -25.3050 -25.2937 -25.2937 -9.6234 -9.6234 -9.0759 -9.0752 -9.0752 -9.0452 -8.9745 -8.9745 -8.8342 -8.8342 -8.8184 -8.7983 -8.7804 -8.7804 -8.7400 -8.7228 -8.7228 -8.7192 -8.3932 -8.3932 -7.4641 -7.4641 -7.4500 -7.4387 -7.3855 -7.3855 -3.4692 -3.4692 0.0262 0.0262 0.3694 0.3694 0.4888 0.4903 2.2476 2.2476 2.2721 2.2807 2.6004 2.6004 2.6205 2.6377 2.8461 2.8461 2.9404 2.9404 2.9610 2.9708 3.1166 3.1166 5.9078 5.9078 7.5516 7.5516 7.7589 7.7602 8.0903 8.0903 9.4909 9.4909 9.5105 9.5127 k = 0.3264 0.1375 0.6124 ( 6755 PWs) bands (ev): -25.3053 -25.3053 -25.3053 -25.3053 -25.2930 -25.2930 -9.6143 -9.6143 -9.0807 -9.0783 -9.0783 -9.0489 -8.9795 -8.9795 -8.8328 -8.8328 -8.8190 -8.7990 -8.7826 -8.7826 -8.7405 -8.7182 -8.7182 -8.7179 -8.4075 -8.4075 -7.4593 -7.4593 -7.4462 -7.4344 -7.3787 -7.3787 -3.4697 -3.4697 0.0287 0.0287 0.3850 0.3850 0.5066 0.5082 2.2100 2.2100 2.2338 2.2418 2.5872 2.5872 2.6078 2.6253 2.8456 2.8456 2.9573 2.9573 2.9774 2.9882 3.1354 3.1354 5.9120 5.9120 7.5515 7.5515 7.7590 7.7606 8.0991 8.0991 9.4584 9.4584 9.4756 9.4780 k = 0.3333 0.1179 0.6124 ( 6767 PWs) bands (ev): -25.3057 -25.3057 -25.3057 -25.3057 -25.2924 -25.2924 -9.6044 -9.6044 -9.0857 -9.0813 -9.0813 -9.0534 -8.9850 -8.9850 -8.8316 -8.8316 -8.8191 -8.7996 -8.7847 -8.7847 -8.7409 -8.7168 -8.7135 -8.7135 -8.4228 -8.4228 -7.4539 -7.4539 -7.4418 -7.4295 -7.3721 -7.3721 -3.4702 -3.4702 0.0345 0.0345 0.4010 0.4010 0.5244 0.5261 2.1725 2.1725 2.1954 2.2028 2.5718 2.5718 2.5930 2.6105 2.8406 2.8406 2.9764 2.9764 2.9962 3.0077 3.1541 3.1541 5.9160 5.9160 7.5512 7.5512 7.7590 7.7609 8.1025 8.1025 9.4252 9.4252 9.4400 9.4427 k = 0.3403 0.0982 0.6124 ( 6755 PWs) bands (ev): -25.3060 -25.3060 -25.3060 -25.3060 -25.2917 -25.2917 -9.5936 -9.5936 -9.0911 -9.0845 -9.0845 -9.0586 -8.9909 -8.9909 -8.8305 -8.8305 -8.8188 -8.8001 -8.7866 -8.7866 -8.7413 -8.7159 -8.7087 -8.7087 -8.4390 -8.4390 -7.4480 -7.4480 -7.4368 -7.4241 -7.3658 -7.3658 -3.4705 -3.4705 0.0435 0.0435 0.4174 0.4174 0.5421 0.5440 2.1351 2.1351 2.1572 2.1640 2.5546 2.5546 2.5765 2.5937 2.8314 2.8314 2.9973 2.9973 3.0169 3.0289 3.1728 3.1728 5.9197 5.9197 7.5504 7.5504 7.7587 7.7610 8.1006 8.1006 9.3918 9.3918 9.4044 9.4073 k = 0.3472 0.0786 0.6124 ( 6758 PWs) bands (ev): -25.3063 -25.3063 -25.3063 -25.3063 -25.2911 -25.2911 -9.5820 -9.5820 -9.0967 -9.0876 -9.0876 -9.0643 -8.9971 -8.9971 -8.8297 -8.8297 -8.8181 -8.8004 -8.7882 -8.7882 -8.7417 -8.7152 -8.7040 -8.7040 -8.4559 -8.4559 -7.4417 -7.4417 -7.4312 -7.4183 -7.3599 -7.3599 -3.4708 -3.4708 0.0558 0.0558 0.4340 0.4340 0.5597 0.5617 2.0980 2.0980 2.1193 2.1255 2.5359 2.5359 2.5585 2.5753 2.8179 2.8179 3.0196 3.0196 3.0393 3.0517 3.1913 3.1913 5.9226 5.9227 7.5488 7.5488 7.7578 7.7604 8.0935 8.0935 9.3586 9.3586 9.3692 9.3723 k = 0.3542 0.0589 0.6124 ( 6752 PWs) bands (ev): -25.3066 -25.3066 -25.3066 -25.3066 -25.2904 -25.2904 -9.5695 -9.5695 -9.1025 -9.0908 -9.0908 -9.0706 -9.0036 -9.0036 -8.8295 -8.8295 -8.8171 -8.8007 -8.7894 -8.7894 -8.7420 -8.7146 -8.6993 -8.6993 -8.4736 -8.4736 -7.4350 -7.4350 -7.4251 -7.4120 -7.3543 -7.3543 -3.4709 -3.4709 0.0713 0.0713 0.4509 0.4509 0.5772 0.5793 2.0616 2.0616 2.0818 2.0875 2.5159 2.5159 2.5393 2.5556 2.8006 2.8006 3.0430 3.0430 3.0629 3.0755 3.2096 3.2096 5.9247 5.9247 7.5462 7.5462 7.7560 7.7590 8.0814 8.0814 9.3260 9.3260 9.3347 9.3380 k = 0.3611 0.0393 0.6124 ( 6752 PWs) bands (ev): -25.3069 -25.3069 -25.3069 -25.3069 -25.2898 -25.2898 -9.5562 -9.5562 -9.1085 -9.0941 -9.0941 -9.0773 -9.0102 -9.0102 -8.8298 -8.8298 -8.8158 -8.8008 -8.7901 -8.7901 -8.7422 -8.7142 -8.6948 -8.6948 -8.4918 -8.4918 -7.4279 -7.4279 -7.4186 -7.4055 -7.3491 -7.3491 -3.4710 -3.4710 0.0898 0.0898 0.4679 0.4679 0.5945 0.5967 2.0258 2.0258 2.0451 2.0502 2.4950 2.4950 2.5191 2.5349 2.7795 2.7795 3.0673 3.0673 3.0874 3.1002 3.2276 3.2276 5.9254 5.9254 7.5425 7.5426 7.7532 7.7565 8.0644 8.0645 9.2944 9.2944 9.3014 9.3047 k = 0.3681 0.0196 0.6124 ( 6755 PWs) bands (ev): -25.3072 -25.3072 -25.3072 -25.3072 -25.2892 -25.2892 -9.5420 -9.5420 -9.1146 -9.0974 -9.0974 -9.0844 -9.0169 -9.0169 -8.8307 -8.8307 -8.8144 -8.8009 -8.7903 -8.7903 -8.7423 -8.7139 -8.6903 -8.6903 -8.5106 -8.5106 -7.4205 -7.4205 -7.4117 -7.3986 -7.3443 -7.3443 -3.4709 -3.4709 0.1113 0.1113 0.4851 0.4851 0.6116 0.6138 1.9908 1.9908 2.0092 2.0137 2.4734 2.4734 2.4983 2.5134 2.7550 2.7550 3.0922 3.0922 3.1126 3.1254 3.2453 3.2453 5.9246 5.9246 7.5376 7.5376 7.7493 7.7529 8.0432 8.0432 9.2639 9.2639 9.2694 9.2728 k = 0.3750-0.0000 0.6124 ( 6764 PWs) bands (ev): -25.3075 -25.3075 -25.3075 -25.3075 -25.2887 -25.2887 -9.5271 -9.5271 -9.1207 -9.1008 -9.1008 -9.0917 -9.0237 -9.0237 -8.8323 -8.8323 -8.8130 -8.8009 -8.7901 -8.7901 -8.7423 -8.7137 -8.6860 -8.6860 -8.5297 -8.5297 -7.4129 -7.4129 -7.4045 -7.3916 -7.3399 -7.3399 -3.4708 -3.4708 0.1354 0.1354 0.5023 0.5023 0.6283 0.6306 1.9570 1.9570 1.9743 1.9781 2.4512 2.4512 2.4770 2.4913 2.7274 2.7274 3.1174 3.1174 3.1383 3.1510 3.2625 3.2625 5.9219 5.9219 7.5315 7.5315 7.7443 7.7481 8.0181 8.0181 9.2349 9.2349 9.2390 9.2424 k = 0.3819-0.0196 0.6124 ( 6770 PWs) bands (ev): -25.3077 -25.3077 -25.3077 -25.3077 -25.2882 -25.2882 -9.5114 -9.5114 -9.1269 -9.1043 -9.1043 -9.0992 -9.0304 -9.0304 -8.8345 -8.8345 -8.8114 -8.8008 -8.7897 -8.7897 -8.7422 -8.7137 -8.6818 -8.6818 -8.5491 -8.5491 -7.4052 -7.4052 -7.3971 -7.3845 -7.3359 -7.3359 -3.4705 -3.4705 0.1620 0.1620 0.5196 0.5196 0.6446 0.6470 1.9243 1.9243 1.9405 1.9438 2.4288 2.4288 2.4554 2.4690 2.6970 2.6970 3.1427 3.1427 3.1642 3.1767 3.2793 3.2793 5.9172 5.9172 7.5241 7.5241 7.7382 7.7422 7.9898 7.9898 9.2074 9.2074 9.2104 9.2138 k = 0.3889-0.0393 0.6124 ( 6776 PWs) bands (ev): -25.3080 -25.3080 -25.3080 -25.3080 -25.2877 -25.2877 -9.4949 -9.4949 -9.1330 -9.1078 -9.1078 -9.1067 -9.0371 -9.0371 -8.8372 -8.8372 -8.8099 -8.8007 -8.7890 -8.7890 -8.7420 -8.7138 -8.6778 -8.6778 -8.5685 -8.5685 -7.3974 -7.3974 -7.3895 -7.3772 -7.3322 -7.3322 -3.4701 -3.4701 0.1906 0.1906 0.5369 0.5369 0.6605 0.6630 1.8929 1.8929 1.9081 1.9108 2.4062 2.4062 2.4337 2.4465 2.6643 2.6643 3.1679 3.1679 3.1900 3.2023 3.2956 3.2956 5.9104 5.9104 7.5155 7.5155 7.7311 7.7353 7.9591 7.9591 9.1815 9.1815 9.1836 9.1869 k = 0.3958-0.0589 0.6124 ( 6776 PWs) bands (ev): -25.3082 -25.3082 -25.3082 -25.3082 -25.2872 -25.2872 -9.4777 -9.4777 -9.1389 -9.1142 -9.1114 -9.1114 -9.0436 -9.0436 -8.8405 -8.8405 -8.8084 -8.8006 -8.7882 -8.7882 -8.7416 -8.7139 -8.6740 -8.6740 -8.5878 -8.5878 -7.3896 -7.3896 -7.3818 -7.3700 -7.3288 -7.3288 -3.4696 -3.4696 0.2209 0.2209 0.5544 0.5544 0.6759 0.6784 1.8631 1.8631 1.8770 1.8793 2.3837 2.3837 2.4122 2.4241 2.6296 2.6296 3.1928 3.1928 3.2155 3.2275 3.3113 3.3113 5.9013 5.9013 7.5059 7.5059 7.7231 7.7274 7.9267 7.9267 9.1574 9.1574 9.1587 9.1620 k = 0.4028-0.0786 0.6124 ( 6785 PWs) bands (ev): -25.3084 -25.3084 -25.3084 -25.3084 -25.2868 -25.2868 -9.4599 -9.4599 -9.1448 -9.1216 -9.1151 -9.1151 -9.0500 -9.0500 -8.8444 -8.8444 -8.8070 -8.8005 -8.7875 -8.7875 -8.7410 -8.7142 -8.6705 -8.6705 -8.6067 -8.6067 -7.3819 -7.3819 -7.3742 -7.3629 -7.3258 -7.3258 -3.4691 -3.4691 0.2524 0.2524 0.5721 0.5721 0.6907 0.6932 1.8349 1.8349 1.8476 1.8494 2.3614 2.3614 2.3909 2.4020 2.5933 2.5933 3.2171 3.2171 3.2406 3.2522 3.3264 3.3264 5.8900 5.8900 7.4954 7.4954 7.7144 7.7188 7.8935 7.8935 9.1351 9.1351 9.1358 9.1389 k = 0.4097-0.0982 0.6124 ( 6776 PWs) bands (ev): -25.3086 -25.3086 -25.3086 -25.3086 -25.2864 -25.2864 -9.4414 -9.4414 -9.1504 -9.1288 -9.1187 -9.1187 -9.0563 -9.0563 -8.8489 -8.8489 -8.8057 -8.8003 -8.7870 -8.7870 -8.7403 -8.7145 -8.6671 -8.6671 -8.6250 -8.6250 -7.3744 -7.3744 -7.3666 -7.3559 -7.3231 -7.3231 -3.4684 -3.4684 0.2845 0.2845 0.5900 0.5900 0.7048 0.7074 1.8084 1.8084 1.8199 1.8212 2.3396 2.3396 2.3700 2.3803 2.5558 2.5558 3.2407 3.2407 3.2650 3.2762 3.3408 3.3408 5.8767 5.8767 7.4842 7.4842 7.7053 7.7097 7.8603 7.8604 9.1145 9.1145 9.1148 9.1177 k = 0.4167-0.1179 0.6124 ( 6770 PWs) bands (ev): -25.3088 -25.3088 -25.3088 -25.3088 -25.2859 -25.2859 -9.4223 -9.4223 -9.1557 -9.1358 -9.1224 -9.1224 -9.0625 -9.0625 -8.8541 -8.8541 -8.8046 -8.8001 -8.7868 -8.7868 -8.7395 -8.7149 -8.6640 -8.6640 -8.6422 -8.6422 -7.3671 -7.3671 -7.3592 -7.3491 -7.3207 -7.3207 -3.4677 -3.4677 0.3168 0.3168 0.6083 0.6083 0.7183 0.7208 1.7837 1.7837 1.7940 1.7949 2.3183 2.3183 2.3498 2.3592 2.5177 2.5177 3.2633 3.2633 3.2886 3.2991 3.3545 3.3545 5.8616 5.8616 7.4725 7.4725 7.6958 7.7002 7.8279 7.8279 9.0957 9.0958 9.0958 9.0985 k = 0.4236-0.1375 0.6124 ( 6752 PWs) bands (ev): -25.3090 -25.3090 -25.3090 -25.3090 -25.2856 -25.2856 -9.4027 -9.4027 -9.1607 -9.1425 -9.1261 -9.1261 -9.0687 -9.0687 -8.8601 -8.8601 -8.8035 -8.8000 -8.7868 -8.7868 -8.7386 -8.7154 -8.6616 -8.6616 -8.6577 -8.6577 -7.3601 -7.3601 -7.3521 -7.3427 -7.3186 -7.3186 -3.4670 -3.4670 0.3485 0.3485 0.6271 0.6271 0.7309 0.7334 1.7610 1.7610 1.7701 1.7706 2.2978 2.2978 2.3304 2.3389 2.4793 2.4793 3.2847 3.2847 3.3110 3.3210 3.3674 3.3674 5.8450 5.8450 7.4605 7.4605 7.6864 7.6906 7.7968 7.7968 9.0785 9.0788 9.0788 9.0811 k = 0.4306-0.1571 0.6124 ( 6749 PWs) bands (ev): -25.3091 -25.3091 -25.3091 -25.3091 -25.2853 -25.2853 -9.3826 -9.3826 -9.1654 -9.1488 -9.1297 -9.1297 -9.0749 -9.0749 -8.8670 -8.8670 -8.8026 -8.7998 -8.7873 -8.7873 -8.7375 -8.7159 -8.6730 -8.6730 -8.6581 -8.6581 -7.3536 -7.3536 -7.3453 -7.3365 -7.3167 -7.3167 -3.4662 -3.4662 0.3790 0.3790 0.6464 0.6464 0.7426 0.7451 1.7402 1.7402 1.7481 1.7483 2.2781 2.2781 2.3119 2.3196 2.4411 2.4411 3.3048 3.3048 3.3323 3.3416 3.3796 3.3796 5.8273 5.8273 7.4485 7.4485 7.6771 7.6812 7.7677 7.7677 9.0631 9.0636 9.0636 9.0655 k = 0.4375-0.1768 0.6124 ( 6746 PWs) bands (ev): -25.3093 -25.3093 -25.3093 -25.3093 -25.2850 -25.2850 -9.3621 -9.3621 -9.1697 -9.1548 -9.1331 -9.1331 -9.0813 -9.0813 -8.8748 -8.8748 -8.8018 -8.7996 -8.7882 -8.7882 -8.7364 -8.7165 -8.6854 -8.6854 -8.6557 -8.6557 -7.3474 -7.3474 -7.3388 -7.3309 -7.3149 -7.3149 -3.4654 -3.4654 0.4075 0.4075 0.6664 0.6664 0.7535 0.7558 1.7215 1.7215 1.7282 1.7282 2.2595 2.2595 2.2946 2.3015 2.4039 2.4039 3.3233 3.3233 3.3521 3.3607 3.3909 3.3909 5.8091 5.8091 7.4367 7.4367 7.6682 7.6720 7.7408 7.7408 9.0494 9.0501 9.0501 9.0517 k = 0.4444-0.1964 0.6124 ( 6752 PWs) bands (ev): -25.3094 -25.3094 -25.3094 -25.3094 -25.2847 -25.2847 -9.3414 -9.3414 -9.1736 -9.1604 -9.1364 -9.1364 -9.0880 -9.0880 -8.8835 -8.8835 -8.8012 -8.7995 -8.7895 -8.7895 -8.7352 -8.7172 -8.6960 -8.6960 -8.6535 -8.6535 -7.3419 -7.3419 -7.3328 -7.3256 -7.3134 -7.3134 -3.4646 -3.4646 0.4334 0.4334 0.6870 0.6870 0.7633 0.7655 1.7048 1.7048 1.7102 1.7104 2.2420 2.2420 2.2785 2.2846 2.3681 2.3681 3.3401 3.3401 3.3703 3.3781 3.4013 3.4013 5.7908 5.7908 7.4254 7.4254 7.6598 7.6634 7.7166 7.7166 9.0375 9.0382 9.0382 9.0395 k = 0.4514-0.2161 0.6124 ( 6746 PWs) bands (ev): -25.3095 -25.3095 -25.3095 -25.3095 -25.2844 -25.2844 -9.3204 -9.3204 -9.1770 -9.1654 -9.1395 -9.1395 -9.0951 -9.0951 -8.8929 -8.8929 -8.8006 -8.7994 -8.7911 -8.7911 -8.7339 -8.7179 -8.7044 -8.7044 -8.6515 -8.6515 -7.3369 -7.3369 -7.3273 -7.3210 -7.3120 -7.3120 -3.4639 -3.4639 0.4564 0.4564 0.7078 0.7078 0.7721 0.7742 1.6902 1.6902 1.6943 1.6947 2.2257 2.2257 2.2640 2.2693 2.3344 2.3344 3.3551 3.3551 3.3869 3.3938 3.4108 3.4108 5.7730 5.7730 7.4148 7.4148 7.6521 7.6553 7.6952 7.6952 9.0272 9.0279 9.0279 9.0290 k = 0.4583-0.2357 0.6124 ( 6728 PWs) bands (ev): -25.3096 -25.3096 -25.3096 -25.3096 -25.2842 -25.2842 -9.2994 -9.2994 -9.1799 -9.1700 -9.1423 -9.1423 -9.1031 -9.1031 -8.9025 -8.9025 -8.8002 -8.7992 -8.7928 -8.7928 -8.7326 -8.7187 -8.7110 -8.7110 -8.6498 -8.6498 -7.3325 -7.3325 -7.3223 -7.3169 -7.3108 -7.3108 -3.4632 -3.4632 0.4761 0.4761 0.7284 0.7284 0.7799 0.7817 1.6777 1.6777 1.6807 1.6811 2.2108 2.2108 2.2510 2.2555 2.3037 2.3037 3.3681 3.3681 3.4016 3.4076 3.4194 3.4194 5.7563 5.7563 7.4051 7.4051 7.6452 7.6481 7.6767 7.6767 9.0185 9.0191 9.0191 9.0200 k = 0.4653-0.2553 0.6124 ( 6734 PWs) bands (ev): -25.3097 -25.3097 -25.3097 -25.3097 -25.2840 -25.2840 -9.2784 -9.2784 -9.1822 -9.1740 -9.1449 -9.1449 -9.1119 -9.1119 -8.9120 -8.9120 -8.7998 -8.7992 -8.7945 -8.7945 -8.7313 -8.7196 -8.7160 -8.7160 -8.6484 -8.6484 -7.3288 -7.3288 -7.3180 -7.3134 -7.3097 -7.3097 -3.4626 -3.4626 0.4924 0.4924 0.7481 0.7481 0.7865 0.7881 1.6672 1.6672 1.6692 1.6697 2.1972 2.1972 2.2398 2.2436 2.2766 2.2766 3.3791 3.3791 3.4143 3.4194 3.4269 3.4269 5.7411 5.7411 7.3965 7.3965 7.6393 7.6417 7.6610 7.6610 9.0112 9.0118 9.0118 9.0125 k = 0.4722-0.2750 0.6124 ( 6704 PWs) bands (ev): -25.3097 -25.3097 -25.3097 -25.3097 -25.2839 -25.2839 -9.2577 -9.2577 -9.1841 -9.1775 -9.1473 -9.1473 -9.1218 -9.1218 -8.9207 -8.9207 -8.7995 -8.7991 -8.7960 -8.7960 -8.7299 -8.7205 -8.7195 -8.7195 -8.6472 -8.6472 -7.3259 -7.3259 -7.3143 -7.3106 -7.3087 -7.3087 -3.4621 -3.4621 0.5055 0.5055 0.7659 0.7659 0.7920 0.7933 1.6586 1.6586 1.6599 1.6604 2.1850 2.1850 2.2305 2.2335 2.2540 2.2540 3.3880 3.3880 3.4249 3.4290 3.4333 3.4333 5.7279 5.7279 7.3892 7.3892 7.6344 7.6364 7.6483 7.6483 9.0054 9.0059 9.0059 9.0065 k = 0.4792-0.2946 0.6124 ( 6710 PWs) bands (ev): -25.3098 -25.3098 -25.3098 -25.3098 -25.2837 -25.2837 -9.2374 -9.2374 -9.1853 -9.1804 -9.1499 -9.1499 -9.1324 -9.1324 -8.9282 -8.9282 -8.7993 -8.7990 -8.7973 -8.7973 -8.7286 -8.7220 -8.7220 -8.7215 -8.6463 -8.6463 -7.3237 -7.3237 -7.3113 -7.3085 -7.3078 -7.3078 -3.4616 -3.4616 0.5154 0.5154 0.7810 0.7810 0.7963 0.7973 1.6521 1.6521 1.6527 1.6531 2.1746 2.1746 2.2233 2.2255 2.2364 2.2364 3.3949 3.3949 3.4334 3.4365 3.4385 3.4385 5.7172 5.7172 7.3834 7.3834 7.6305 7.6321 7.6385 7.6385 9.0010 9.0014 9.0014 9.0018 k = 0.4861-0.3143 0.6124 ( 6704 PWs) bands (ev): -25.3098 -25.3098 -25.3098 -25.3098 -25.2836 -25.2836 -9.2179 -9.2179 -9.1860 -9.1827 -9.1548 -9.1548 -9.1419 -9.1419 -8.9339 -8.9339 -8.7992 -8.7990 -8.7982 -8.7982 -8.7273 -8.7237 -8.7237 -8.7226 -8.6456 -8.6456 -7.3221 -7.3221 -7.3090 -7.3071 -7.3071 -7.3071 -3.4613 -3.4613 0.5223 0.5223 0.7925 0.7925 0.7994 0.8001 1.6474 1.6474 1.6477 1.6479 2.1663 2.1663 2.2181 2.2196 2.2240 2.2240 3.3998 3.3998 3.4397 3.4418 3.4423 3.4423 5.7094 5.7094 7.3792 7.3792 7.6279 7.6289 7.6316 7.6316 8.9979 8.9982 8.9982 8.9985 k = 0.4931-0.3339 0.6124 ( 6698 PWs) bands (ev): -25.3099 -25.3099 -25.3099 -25.3099 -25.2835 -25.2835 -9.1994 -9.1994 -9.1861 -9.1845 -9.1657 -9.1657 -9.1462 -9.1462 -8.9374 -8.9374 -8.7990 -8.7990 -8.7988 -8.7988 -8.7261 -8.7246 -8.7246 -8.7237 -8.6452 -8.6452 -7.3212 -7.3212 -7.3074 -7.3067 -7.3067 -7.3065 -3.4611 -3.4611 0.5264 0.5264 0.7997 0.7997 0.8014 0.8018 1.6447 1.6447 1.6447 1.6448 2.1610 2.1610 2.2151 2.2159 2.2168 2.2168 3.4027 3.4027 3.4437 3.4446 3.4446 3.4447 5.7045 5.7045 7.3766 7.3766 7.6263 7.6269 7.6274 7.6274 8.9962 8.9963 8.9963 8.9964 k = 0.5000-0.3536 0.6124 ( 6698 PWs) bands (ev): -25.3099 -25.3099 -25.3099 -25.3099 -25.2835 -25.2835 -9.1856 -9.1856 -9.1856 -9.1856 -9.1775 -9.1775 -9.1471 -9.1471 -8.9386 -8.9386 -8.7990 -8.7990 -8.7990 -8.7990 -8.7249 -8.7249 -8.7249 -8.7249 -8.6451 -8.6451 -7.3209 -7.3209 -7.3065 -7.3065 -7.3065 -7.3065 -3.4611 -3.4611 0.5277 0.5277 0.8022 0.8022 0.8022 0.8022 1.6437 1.6437 1.6437 1.6437 2.1591 2.1591 2.2144 2.2144 2.2144 2.2144 3.4036 3.4036 3.4453 3.4453 3.4454 3.4454 5.7029 5.7029 7.3757 7.3757 7.6260 7.6260 7.6260 7.6260 8.9957 8.9957 8.9957 8.9957 k = 0.2500 0.3536 0.6124 ( 6708 PWs) bands (ev): -25.3012 -25.3012 -25.3012 -25.3012 -25.3012 -25.3012 -9.6659 -9.6659 -9.0507 -9.0507 -9.0507 -9.0507 -8.9539 -8.9539 -8.8388 -8.8388 -8.7865 -8.7865 -8.7865 -8.7865 -8.7385 -8.7385 -8.7385 -8.7385 -8.3187 -8.3187 -7.4808 -7.4808 -7.4480 -7.4480 -7.4480 -7.4480 -3.4647 -3.4647 0.0885 0.0885 0.3193 0.3193 0.3193 0.3193 2.5680 2.5680 2.5862 2.5862 2.5862 2.5862 2.6502 2.6502 2.6502 2.6502 2.9088 2.9088 2.9484 2.9484 2.9484 2.9484 5.8860 5.8860 7.5722 7.5722 7.8334 7.8334 7.8334 7.8334 9.6727 9.6727 9.7247 9.7247 k = 0.2381 0.3367 0.6124 ( 6724 PWs) bands (ev): -25.3019 -25.3019 -25.3012 -25.3012 -25.3005 -25.3005 -9.6655 -9.6655 -9.0529 -9.0529 -9.0488 -9.0488 -8.9540 -8.9540 -8.8389 -8.8389 -8.7895 -8.7895 -8.7836 -8.7836 -8.7395 -8.7395 -8.7375 -8.7375 -8.3196 -8.3196 -7.4809 -7.4809 -7.4503 -7.4503 -7.4447 -7.4447 -3.4648 -3.4648 0.0869 0.0869 0.3053 0.3053 0.3361 0.3361 2.5540 2.5540 2.5821 2.5821 2.5876 2.5876 2.6417 2.6417 2.6728 2.6728 2.9061 2.9061 2.9424 2.9424 2.9584 2.9584 5.8862 5.8862 7.5707 7.5707 7.8169 7.8169 7.8548 7.8548 9.6714 9.6714 9.7206 9.7206 k = 0.2262 0.3199 0.6124 ( 6752 PWs) bands (ev): -25.3026 -25.3026 -25.3012 -25.3012 -25.2999 -25.2999 -9.6643 -9.6643 -9.0554 -9.0554 -9.0473 -9.0473 -8.9541 -8.9541 -8.8393 -8.8393 -8.7923 -8.7923 -8.7807 -8.7807 -8.7404 -8.7404 -8.7363 -8.7363 -8.3220 -8.3220 -7.4813 -7.4813 -7.4512 -7.4512 -7.4407 -7.4407 -3.4651 -3.4651 0.0820 0.0820 0.2943 0.2943 0.3552 0.3552 2.5288 2.5288 2.5629 2.5629 2.5871 2.5871 2.6533 2.6533 2.6976 2.6976 2.9000 2.9000 2.9395 2.9395 2.9710 2.9710 5.8868 5.8868 7.5663 7.5663 7.8053 7.8053 7.8809 7.8809 9.6673 9.6673 9.7149 9.7149 k = 0.2143 0.3030 0.6124 ( 6752 PWs) bands (ev): -25.3032 -25.3032 -25.3012 -25.3012 -25.2992 -25.2992 -9.6624 -9.6624 -9.0581 -9.0581 -9.0461 -9.0461 -8.9544 -8.9544 -8.8399 -8.8399 -8.7948 -8.7948 -8.7780 -8.7780 -8.7410 -8.7410 -8.7351 -8.7351 -8.3259 -8.3259 -7.4825 -7.4825 -7.4502 -7.4502 -7.4363 -7.4363 -3.4655 -3.4655 0.0743 0.0743 0.2865 0.2865 0.3763 0.3763 2.4999 2.4999 2.5361 2.5361 2.5871 2.5871 2.6713 2.6713 2.7206 2.7206 2.8940 2.8940 2.9383 2.9383 2.9851 2.9851 5.8879 5.8879 7.5598 7.5598 7.7984 7.7984 7.9110 7.9110 9.6602 9.6602 9.7079 9.7079 k = 0.2024 0.2862 0.6124 ( 6746 PWs) bands (ev): -25.3039 -25.3039 -25.3012 -25.3012 -25.2985 -25.2985 -9.6596 -9.6596 -9.0612 -9.0612 -9.0452 -9.0452 -8.9548 -8.9548 -8.8407 -8.8407 -8.7972 -8.7972 -8.7759 -8.7759 -8.7414 -8.7414 -8.7337 -8.7337 -8.3311 -8.3311 -7.4844 -7.4844 -7.4473 -7.4473 -7.4313 -7.4313 -3.4660 -3.4660 0.0642 0.0642 0.2818 0.2818 0.3988 0.3988 2.4688 2.4688 2.5077 2.5077 2.5870 2.5870 2.6897 2.6897 2.7396 2.7396 2.8911 2.8911 2.9378 2.9378 2.9999 2.9999 5.8895 5.8895 7.5520 7.5520 7.7953 7.7953 7.9446 7.9446 9.6496 9.6496 9.7004 9.7004 k = 0.1905 0.2694 0.6124 ( 6752 PWs) bands (ev): -25.3046 -25.3046 -25.3012 -25.3012 -25.2979 -25.2979 -9.6562 -9.6562 -9.0644 -9.0644 -9.0447 -9.0447 -8.9553 -8.9553 -8.8418 -8.8418 -8.7994 -8.7994 -8.7744 -8.7744 -8.7414 -8.7414 -8.7321 -8.7321 -8.3375 -8.3375 -7.4871 -7.4871 -7.4429 -7.4429 -7.4260 -7.4260 -3.4667 -3.4667 0.0522 0.0522 0.2798 0.2798 0.4224 0.4224 2.4362 2.4362 2.4795 2.4795 2.5871 2.5871 2.7065 2.7065 2.7530 2.7530 2.8932 2.8932 2.9377 2.9377 3.0150 3.0150 5.8917 5.8917 7.5438 7.5438 7.7953 7.7953 7.9810 7.9810 9.6350 9.6350 9.6933 9.6933 k = 0.1786 0.2525 0.6124 ( 6748 PWs) bands (ev): -25.3052 -25.3052 -25.3012 -25.3012 -25.2973 -25.2973 -9.6520 -9.6520 -9.0678 -9.0678 -9.0444 -9.0444 -8.9558 -8.9558 -8.8430 -8.8430 -8.8013 -8.8013 -8.7737 -8.7737 -8.7410 -8.7410 -8.7301 -8.7301 -8.3448 -8.3448 -7.4901 -7.4901 -7.4376 -7.4376 -7.4199 -7.4199 -3.4675 -3.4675 0.0388 0.0388 0.2802 0.2802 0.4467 0.4467 2.4026 2.4026 2.4521 2.4521 2.5871 2.5871 2.7206 2.7206 2.7606 2.7606 2.9010 2.9010 2.9381 2.9381 3.0299 3.0299 5.8947 5.8947 7.5360 7.5360 7.7977 7.7977 8.0196 8.0196 9.6166 9.6166 9.6871 9.6871 k = 0.1667 0.2357 0.6124 ( 6754 PWs) bands (ev): -25.3058 -25.3058 -25.3012 -25.3012 -25.2967 -25.2967 -9.6473 -9.6473 -9.0714 -9.0714 -9.0445 -9.0445 -8.9563 -8.9563 -8.8444 -8.8444 -8.8032 -8.8032 -8.7739 -8.7739 -8.7404 -8.7404 -8.7277 -8.7277 -8.3527 -8.3527 -7.4933 -7.4933 -7.4319 -7.4319 -7.4131 -7.4131 -3.4684 -3.4684 0.0247 0.0247 0.2826 0.2826 0.4715 0.4715 2.3685 2.3685 2.4256 2.4256 2.5871 2.5871 2.7305 2.7305 2.7648 2.7648 2.9129 2.9129 2.9394 2.9394 3.0445 3.0445 5.8984 5.8984 7.5292 7.5292 7.8017 7.8017 8.0598 8.0598 9.5949 9.5949 9.6818 9.6818 k = 0.1548 0.2189 0.6124 ( 6752 PWs) bands (ev): -25.3064 -25.3064 -25.3012 -25.3012 -25.2961 -25.2961 -9.6421 -9.6421 -9.0750 -9.0750 -9.0450 -9.0450 -8.9569 -8.9569 -8.8460 -8.8460 -8.8049 -8.8049 -8.7747 -8.7747 -8.7398 -8.7398 -8.7247 -8.7247 -8.3611 -8.3611 -7.4966 -7.4966 -7.4265 -7.4265 -7.4054 -7.4054 -3.4694 -3.4694 0.0103 0.0103 0.2865 0.2865 0.4964 0.4964 2.3344 2.3344 2.4002 2.4002 2.5872 2.5872 2.7341 2.7341 2.7694 2.7694 2.9246 2.9246 2.9443 2.9443 3.0586 3.0586 5.9029 5.9029 7.5238 7.5238 7.8068 7.8068 8.1010 8.1010 9.5705 9.5705 9.6773 9.6773 k = 0.1429 0.2020 0.6124 ( 6752 PWs) bands (ev): -25.3069 -25.3069 -25.3012 -25.3012 -25.2955 -25.2955 -9.6364 -9.6364 -9.0787 -9.0787 -9.0456 -9.0456 -8.9574 -8.9574 -8.8478 -8.8478 -8.8065 -8.8065 -8.7761 -8.7761 -8.7393 -8.7393 -8.7213 -8.7213 -8.3697 -8.3697 -7.4999 -7.4999 -7.4216 -7.4216 -7.3969 -7.3969 -3.4704 -3.4704 -0.0040 -0.0040 0.2916 0.2916 0.5212 0.5212 2.3007 2.3007 2.3761 2.3761 2.5872 2.5872 2.7318 2.7318 2.7756 2.7756 2.9304 2.9304 2.9565 2.9565 3.0722 3.0722 5.9083 5.9083 7.5198 7.5198 7.8124 7.8124 8.1426 8.1426 9.5442 9.5442 9.6734 9.6734 k = 0.1310 0.1852 0.6124 ( 6754 PWs) bands (ev): -25.3074 -25.3074 -25.3012 -25.3012 -25.2950 -25.2950 -9.6305 -9.6305 -9.0824 -9.0824 -9.0466 -9.0466 -8.9579 -8.9579 -8.8498 -8.8498 -8.8081 -8.8081 -8.7777 -8.7777 -8.7388 -8.7388 -8.7176 -8.7176 -8.3782 -8.3782 -7.5030 -7.5030 -7.4171 -7.4171 -7.3879 -7.3879 -3.4715 -3.4715 -0.0180 -0.0180 0.2976 0.2976 0.5455 0.5455 2.2678 2.2678 2.3534 2.3534 2.5873 2.5873 2.7262 2.7262 2.7823 2.7823 2.9321 2.9321 2.9730 2.9730 3.0849 3.0849 5.9145 5.9145 7.5175 7.5175 7.8181 7.8181 8.1840 8.1840 9.5167 9.5167 9.6694 9.6694 k = 0.1190 0.1684 0.6124 ( 6760 PWs) bands (ev): -25.3079 -25.3079 -25.3012 -25.3012 -25.2946 -25.2946 -9.6243 -9.6243 -9.0859 -9.0859 -9.0478 -9.0478 -8.9584 -8.9584 -8.8519 -8.8519 -8.8097 -8.8097 -8.7795 -8.7795 -8.7385 -8.7385 -8.7138 -8.7138 -8.3865 -8.3865 -7.5060 -7.5060 -7.4131 -7.4131 -7.3786 -7.3786 -3.4726 -3.4726 -0.0313 -0.0313 0.3041 0.3041 0.5693 0.5693 2.2360 2.2360 2.3322 2.3322 2.5873 2.5873 2.7192 2.7192 2.7883 2.7883 2.9327 2.9327 2.9901 2.9901 3.0969 3.0969 5.9213 5.9213 7.5167 7.5167 7.8235 7.8235 8.2247 8.2247 9.4886 9.4886 9.6646 9.6646 k = 0.1071 0.1515 0.6124 ( 6756 PWs) bands (ev): -25.3083 -25.3083 -25.3012 -25.3012 -25.2941 -25.2941 -9.6180 -9.6180 -9.0894 -9.0894 -9.0491 -9.0491 -8.9589 -8.9589 -8.8541 -8.8541 -8.8112 -8.8112 -8.7812 -8.7812 -8.7383 -8.7383 -8.7101 -8.7101 -8.3943 -8.3943 -7.5088 -7.5088 -7.4095 -7.4095 -7.3695 -7.3695 -3.4736 -3.4736 -0.0438 -0.0438 0.3109 0.3109 0.5920 0.5920 2.2057 2.2057 2.3126 2.3126 2.5874 2.5874 2.7118 2.7118 2.7932 2.7932 2.9329 2.9329 3.0065 3.0065 3.1079 3.1079 5.9287 5.9287 7.5173 7.5173 7.8286 7.8286 8.2641 8.2641 9.4607 9.4607 9.6585 9.6585 k = 0.0952 0.1347 0.6124 ( 6760 PWs) bands (ev): -25.3087 -25.3087 -25.3012 -25.3012 -25.2937 -25.2937 -9.6118 -9.6118 -9.0927 -9.0927 -9.0506 -9.0506 -8.9592 -8.9592 -8.8564 -8.8564 -8.8127 -8.8127 -8.7828 -8.7828 -8.7382 -8.7382 -8.7064 -8.7064 -8.4016 -8.4016 -7.5113 -7.5113 -7.4063 -7.4063 -7.3607 -7.3607 -3.4747 -3.4747 -0.0553 -0.0553 0.3177 0.3177 0.6135 0.6135 2.1773 2.1773 2.2948 2.2948 2.5874 2.5874 2.7045 2.7045 2.7969 2.7969 2.9330 2.9330 3.0219 3.0219 3.1180 3.1180 5.9365 5.9365 7.5190 7.5190 7.8331 7.8331 8.3016 8.3016 9.4336 9.4336 9.6513 9.6513 k = 0.0833 0.1179 0.6124 ( 6764 PWs) bands (ev): -25.3091 -25.3091 -25.3012 -25.3012 -25.2934 -25.2934 -9.6058 -9.6058 -9.0957 -9.0957 -9.0522 -9.0522 -8.9596 -8.9596 -8.8588 -8.8588 -8.8141 -8.8141 -8.7842 -8.7842 -8.7381 -8.7381 -8.7030 -8.7030 -8.4082 -8.4082 -7.5136 -7.5136 -7.4034 -7.4034 -7.3525 -7.3525 -3.4756 -3.4756 -0.0657 -0.0657 0.3243 0.3243 0.6335 0.6335 2.1511 2.1511 2.2789 2.2789 2.5874 2.5874 2.6977 2.6977 2.7995 2.7995 2.9330 2.9330 3.0358 3.0358 3.1270 3.1270 5.9443 5.9443 7.5216 7.5216 7.8370 7.8370 8.3366 8.3366 9.4078 9.4078 9.6437 9.6437 k = 0.0714 0.1010 0.6124 ( 6760 PWs) bands (ev): -25.3094 -25.3094 -25.3012 -25.3012 -25.2930 -25.2930 -9.6002 -9.6002 -9.0985 -9.0985 -9.0538 -9.0538 -8.9598 -8.9598 -8.8611 -8.8611 -8.8154 -8.8154 -8.7854 -8.7854 -8.7380 -8.7380 -8.6999 -8.6999 -8.4140 -8.4140 -7.5157 -7.5157 -7.4010 -7.4010 -7.3450 -7.3450 -3.4765 -3.4765 -0.0749 -0.0749 0.3305 0.3305 0.6516 0.6516 2.1275 2.1275 2.2649 2.2649 2.5875 2.5875 2.6916 2.6916 2.8012 2.8012 2.9329 2.9329 3.0481 3.0481 3.1348 3.1348 5.9519 5.9519 7.5247 7.5247 7.8402 7.8402 8.3685 8.3685 9.3841 9.3841 9.6360 9.6360 k = 0.0595 0.0842 0.6124 ( 6762 PWs) bands (ev): -25.3097 -25.3097 -25.3012 -25.3012 -25.2928 -25.2928 -9.5951 -9.5951 -9.1009 -9.1009 -9.0554 -9.0554 -8.9600 -8.9600 -8.8633 -8.8633 -8.8166 -8.8166 -8.7864 -8.7864 -8.7380 -8.7380 -8.6972 -8.6972 -8.4190 -8.4190 -7.5174 -7.5174 -7.3988 -7.3988 -7.3384 -7.3384 -3.4773 -3.4773 -0.0828 -0.0828 0.3361 0.3361 0.6676 0.6676 2.1067 2.1067 2.2530 2.2530 2.5875 2.5875 2.6863 2.6863 2.8022 2.8022 2.9329 2.9329 3.0587 3.0587 3.1416 3.1416 5.9590 5.9590 7.5280 7.5280 7.8427 7.8427 8.3967 8.3967 9.3629 9.3629 9.6286 9.6286 k = 0.0476 0.0673 0.6124 ( 6762 PWs) bands (ev): -25.3099 -25.3099 -25.3012 -25.3012 -25.2925 -25.2925 -9.5907 -9.5907 -9.1030 -9.1030 -9.0567 -9.0567 -8.9602 -8.9602 -8.8653 -8.8653 -8.8175 -8.8175 -8.7872 -8.7872 -8.7380 -8.7380 -8.6950 -8.6950 -8.4231 -8.4231 -7.5189 -7.5189 -7.3971 -7.3971 -7.3329 -7.3329 -3.4780 -3.4780 -0.0894 -0.0894 0.3409 0.3409 0.6811 0.6811 2.0892 2.0892 2.2432 2.2432 2.5875 2.5875 2.6819 2.6819 2.8027 2.8027 2.9328 2.9328 3.0674 3.0674 3.1471 3.1471 5.9653 5.9653 7.5313 7.5313 7.8447 7.8447 8.4207 8.4207 9.3448 9.3448 9.6219 9.6219 k = 0.0357 0.0505 0.6124 ( 6760 PWs) bands (ev): -25.3101 -25.3101 -25.3012 -25.3012 -25.2924 -25.2924 -9.5871 -9.5871 -9.1047 -9.1047 -9.0579 -9.0579 -8.9603 -8.9603 -8.8670 -8.8670 -8.8183 -8.8183 -8.7878 -8.7878 -8.7380 -8.7380 -8.6932 -8.6932 -8.4263 -8.4263 -7.5200 -7.5200 -7.3958 -7.3958 -7.3285 -7.3285 -3.4785 -3.4785 -0.0946 -0.0946 0.3448 0.3448 0.6920 0.6920 2.0753 2.0753 2.2355 2.2355 2.5875 2.5875 2.6784 2.6784 2.8028 2.8028 2.9327 2.9327 3.0743 3.0743 3.1515 3.1515 5.9706 5.9706 7.5341 7.5341 7.8462 7.8462 8.4400 8.4400 9.3302 9.3302 9.6163 9.6163 k = 0.0238 0.0337 0.6124 ( 6768 PWs) bands (ev): -25.3102 -25.3102 -25.3012 -25.3012 -25.2922 -25.2922 -9.5844 -9.5844 -9.1059 -9.1059 -9.0588 -9.0588 -8.9604 -8.9604 -8.8682 -8.8682 -8.8189 -8.8189 -8.7882 -8.7882 -8.7380 -8.7380 -8.6919 -8.6919 -8.4286 -8.4286 -7.5208 -7.5208 -7.3948 -7.3948 -7.3252 -7.3252 -3.4789 -3.4789 -0.0983 -0.0983 0.3476 0.3476 0.6999 0.6999 2.0651 2.0651 2.2299 2.2299 2.5875 2.5875 2.6758 2.6758 2.8028 2.8028 2.9327 2.9327 3.0792 3.0792 3.1546 3.1546 5.9745 5.9745 7.5364 7.5364 7.8472 7.8472 8.4541 8.4541 9.3195 9.3195 9.6121 9.6121 k = 0.0119 0.0168 0.6124 ( 6764 PWs) bands (ev): -25.3103 -25.3103 -25.3012 -25.3012 -25.2922 -25.2922 -9.5828 -9.5828 -9.1066 -9.1066 -9.0594 -9.0594 -8.9604 -8.9604 -8.8690 -8.8690 -8.8192 -8.8192 -8.7884 -8.7884 -8.7380 -8.7380 -8.6911 -8.6911 -8.4300 -8.4300 -7.5213 -7.5213 -7.3942 -7.3942 -7.3233 -7.3233 -3.4792 -3.4792 -0.1005 -0.1005 0.3494 0.3494 0.7048 0.7048 2.0590 2.0590 2.2266 2.2266 2.5875 2.5875 2.6743 2.6743 2.8027 2.8027 2.9326 2.9326 3.0822 3.0822 3.1564 3.1564 5.9769 5.9769 7.5378 7.5378 7.8477 7.8477 8.4627 8.4627 9.3129 9.3129 9.6094 9.6094 k = 0.0000 0.0000 0.6124 ( 6756 PWs) bands (ev): -25.3103 -25.3103 -25.3012 -25.3012 -25.2921 -25.2921 -9.5822 -9.5822 -9.1069 -9.1069 -9.0596 -9.0596 -8.9605 -8.9605 -8.8693 -8.8693 -8.8193 -8.8193 -8.7885 -8.7885 -8.7380 -8.7380 -8.6908 -8.6908 -8.4305 -8.4305 -7.5215 -7.5215 -7.3940 -7.3940 -7.3226 -7.3226 -3.4793 -3.4793 -0.1013 -0.1013 0.3500 0.3500 0.7064 0.7064 2.0569 2.0569 2.2255 2.2255 2.5875 2.5875 2.6738 2.6738 2.8027 2.8027 2.9326 2.9326 3.0832 3.0832 3.1571 3.1571 5.9778 5.9778 7.5383 7.5383 7.8479 7.8479 8.4655 8.4655 9.3107 9.3107 9.6085 9.6085 Writing output data file K3SbS4.save init_run : 3.66s CPU 13.98s WALL ( 1 calls) electrons : 1150.68s CPU 1158.96s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.32s CPU 1.57s WALL ( 1 calls) Called by electrons: c_bands : 1150.65s CPU 1158.68s WALL ( 1 calls) v_of_rho : 0.10s CPU 1.03s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.09s CPU 0.64s WALL ( 1 calls) newd : 0.90s CPU 1.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.13s WALL ( 198 calls) cegterg : 1093.26s CPU 1098.96s WALL ( 618 calls) Called by sum_band: Called by *egterg: h_psi : 515.77s CPU 523.85s WALL ( 10819 calls) s_psi : 69.28s CPU 69.60s WALL ( 10819 calls) g_psi : 0.90s CPU 0.95s WALL ( 10003 calls) cdiaghg : 388.48s CPU 386.63s WALL ( 10201 calls) cegterg:over : 75.03s CPU 72.24s WALL ( 10003 calls) cegterg:upda : 22.45s CPU 25.46s WALL ( 10003 calls) cegterg:last : 16.52s CPU 17.01s WALL ( 1362 calls) Called by h_psi: h_psi:vloc : 389.49s CPU 395.33s WALL ( 10819 calls) h_psi:vnl : 125.80s CPU 127.31s WALL ( 10819 calls) add_vuspsi : 52.39s CPU 55.61s WALL ( 10819 calls) General routines calbec : 73.35s CPU 71.58s WALL ( 10819 calls) fft : 0.37s CPU 1.26s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 365.90s CPU 370.31s WALL ( 1051688 calls) interpolate : 0.04s CPU 0.04s WALL ( 4 calls) davcio : 0.03s CPU 1.20s WALL ( 396 calls) Parallel routines fft_scatter : 206.38s CPU 206.93s WALL ( 1051711 calls) PWSCF : 20m 4.98s CPU 21m51.81s WALL This run was terminated on: 15:29:57 31Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=