Program PWSCF v.5.1.1 starts on 31Oct2015 at 23:58:43 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: ./TaTl3S4.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D 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 65 44 12 2304 1281 194 Max 66 45 13 2307 1309 197 Sum 3133 2121 607 110661 62015 9405 bravais-lattice index = 14 lattice parameter (alat) = 12.5474 a.u. unit-cell volume = 1520.6977 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 76.00 number of Kohn-Sham states= 92 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 265.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.547434 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 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. # 2 for Tl read from file: /home/autes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 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 Ta read from file: /home/autes/Pseudo/Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ce7a4fa75595c0f83f911fa846a48acf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 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 S 6.00 32.06500 S( 1.00) Tl 13.00 204.38330 Tl( 1.00) Ta 13.00 180.94790 Ta( 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 0.0853659), 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 -0.1951220 0.1951220), 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 0.3048781), 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 0.4146342), 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 0.2068966), 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 0.2023810 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 0.0476191 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: 110661 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 62015 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.47 Mb ( 336, 92) NL pseudopotentials 0.70 Mb ( 168, 272) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.02 Mb ( 2306) G-vector shells 0.00 Mb ( 468) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.89 Mb ( 336, 368) Each subspace H/S matrix 2.07 Mb ( 368, 368) Each matrix 0.76 Mb ( 272, 2, 92) The potential is recalculated from file : ./TaTl3S4.save/charge-density.dat Starting wfc are 106 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 47.7 secs Computing kpt #: 2 total cpu time spent up to now is 53.2 secs Computing kpt #: 3 total cpu time spent up to now is 59.0 secs Computing kpt #: 4 total cpu time spent up to now is 64.7 secs Computing kpt #: 5 total cpu time spent up to now is 70.5 secs Computing kpt #: 6 total cpu time spent up to now is 76.1 secs Computing kpt #: 7 total cpu time spent up to now is 81.8 secs Computing kpt #: 8 total cpu time spent up to now is 87.5 secs Computing kpt #: 9 total cpu time spent up to now is 93.3 secs Computing kpt #: 10 total cpu time spent up to now is 98.9 secs Computing kpt #: 11 total cpu time spent up to now is 104.6 secs Computing kpt #: 12 total cpu time spent up to now is 110.3 secs Computing kpt #: 13 total cpu time spent up to now is 116.6 secs Computing kpt #: 14 total cpu time spent up to now is 122.9 secs Computing kpt #: 15 total cpu time spent up to now is 129.2 secs Computing kpt #: 16 total cpu time spent up to now is 135.6 secs Computing kpt #: 17 total cpu time spent up to now is 142.1 secs Computing kpt #: 18 total cpu time spent up to now is 148.5 secs Computing kpt #: 19 total cpu time spent up to now is 154.9 secs Computing kpt #: 20 total cpu time spent up to now is 161.3 secs Computing kpt #: 21 total cpu time spent up to now is 167.5 secs Computing kpt #: 22 total cpu time spent up to now is 173.8 secs Computing kpt #: 23 total cpu time spent up to now is 180.0 secs Computing kpt #: 24 total cpu time spent up to now is 186.3 secs Computing kpt #: 25 total cpu time spent up to now is 192.8 secs Computing kpt #: 26 total cpu time spent up to now is 199.3 secs Computing kpt #: 27 total cpu time spent up to now is 205.9 secs Computing kpt #: 28 total cpu time spent up to now is 212.2 secs Computing kpt #: 29 total cpu time spent up to now is 218.5 secs Computing kpt #: 30 total cpu time spent up to now is 224.9 secs Computing kpt #: 31 total cpu time spent up to now is 230.7 secs Computing kpt #: 32 total cpu time spent up to now is 236.5 secs Computing kpt #: 33 total cpu time spent up to now is 242.5 secs Computing kpt #: 34 total cpu time spent up to now is 248.5 secs Computing kpt #: 35 total cpu time spent up to now is 254.4 secs Computing kpt #: 36 total cpu time spent up to now is 260.4 secs Computing kpt #: 37 total cpu time spent up to now is 266.2 secs Computing kpt #: 38 total cpu time spent up to now is 272.1 secs Computing kpt #: 39 total cpu time spent up to now is 277.8 secs Computing kpt #: 40 total cpu time spent up to now is 283.6 secs Computing kpt #: 41 total cpu time spent up to now is 289.7 secs Computing kpt #: 42 total cpu time spent up to now is 295.4 secs Computing kpt #: 43 total cpu time spent up to now is 301.3 secs Computing kpt #: 44 total cpu time spent up to now is 307.3 secs Computing kpt #: 45 total cpu time spent up to now is 313.2 secs Computing kpt #: 46 total cpu time spent up to now is 319.1 secs Computing kpt #: 47 total cpu time spent up to now is 325.9 secs Computing kpt #: 48 total cpu time spent up to now is 331.8 secs Computing kpt #: 49 total cpu time spent up to now is 337.6 secs Computing kpt #: 50 total cpu time spent up to now is 343.5 secs Computing kpt #: 51 total cpu time spent up to now is 349.5 secs Computing kpt #: 52 total cpu time spent up to now is 355.4 secs Computing kpt #: 53 total cpu time spent up to now is 361.4 secs Computing kpt #: 54 total cpu time spent up to now is 367.3 secs Computing kpt #: 55 total cpu time spent up to now is 373.1 secs Computing kpt #: 56 total cpu time spent up to now is 378.9 secs Computing kpt #: 57 total cpu time spent up to now is 384.7 secs Computing kpt #: 58 total cpu time spent up to now is 390.6 secs Computing kpt #: 59 total cpu time spent up to now is 396.4 secs Computing kpt #: 60 total cpu time spent up to now is 402.3 secs Computing kpt #: 61 total cpu time spent up to now is 408.2 secs Computing kpt #: 62 total cpu time spent up to now is 414.0 secs Computing kpt #: 63 total cpu time spent up to now is 420.5 secs Computing kpt #: 64 total cpu time spent up to now is 426.8 secs Computing kpt #: 65 total cpu time spent up to now is 433.2 secs Computing kpt #: 66 total cpu time spent up to now is 439.7 secs Computing kpt #: 67 total cpu time spent up to now is 446.1 secs Computing kpt #: 68 total cpu time spent up to now is 452.6 secs Computing kpt #: 69 total cpu time spent up to now is 459.1 secs Computing kpt #: 70 total cpu time spent up to now is 465.8 secs Computing kpt #: 71 total cpu time spent up to now is 472.4 secs Computing kpt #: 72 total cpu time spent up to now is 478.9 secs Computing kpt #: 73 total cpu time spent up to now is 485.4 secs Computing kpt #: 74 total cpu time spent up to now is 492.2 secs Computing kpt #: 75 total cpu time spent up to now is 498.7 secs Computing kpt #: 76 total cpu time spent up to now is 505.3 secs Computing kpt #: 77 total cpu time spent up to now is 511.9 secs Computing kpt #: 78 total cpu time spent up to now is 518.6 secs Computing kpt #: 79 total cpu time spent up to now is 525.3 secs Computing kpt #: 80 total cpu time spent up to now is 531.9 secs Computing kpt #: 81 total cpu time spent up to now is 538.4 secs Computing kpt #: 82 total cpu time spent up to now is 544.9 secs Computing kpt #: 83 total cpu time spent up to now is 551.3 secs Computing kpt #: 84 total cpu time spent up to now is 557.8 secs Computing kpt #: 85 total cpu time spent up to now is 564.3 secs Computing kpt #: 86 total cpu time spent up to now is 570.7 secs Computing kpt #: 87 total cpu time spent up to now is 576.6 secs Computing kpt #: 88 total cpu time spent up to now is 582.5 secs Computing kpt #: 89 total cpu time spent up to now is 588.4 secs Computing kpt #: 90 total cpu time spent up to now is 594.2 secs Computing kpt #: 91 total cpu time spent up to now is 600.3 secs Computing kpt #: 92 total cpu time spent up to now is 605.9 secs Computing kpt #: 93 total cpu time spent up to now is 611.6 secs Computing kpt #: 94 total cpu time spent up to now is 617.5 secs Computing kpt #: 95 total cpu time spent up to now is 625.3 secs Computing kpt #: 96 total cpu time spent up to now is 631.2 secs Computing kpt #: 97 total cpu time spent up to now is 637.2 secs Computing kpt #: 98 total cpu time spent up to now is 643.0 secs Computing kpt #: 99 total cpu time spent up to now is 648.8 secs Computing kpt #: 100 total cpu time spent up to now is 654.5 secs Computing kpt #: 101 total cpu time spent up to now is 660.2 secs Computing kpt #: 102 total cpu time spent up to now is 665.8 secs Computing kpt #: 103 total cpu time spent up to now is 671.3 secs Computing kpt #: 104 total cpu time spent up to now is 676.9 secs Computing kpt #: 105 total cpu time spent up to now is 682.7 secs Computing kpt #: 106 total cpu time spent up to now is 688.5 secs Computing kpt #: 107 total cpu time spent up to now is 694.2 secs Computing kpt #: 108 total cpu time spent up to now is 699.9 secs Computing kpt #: 109 total cpu time spent up to now is 705.6 secs Computing kpt #: 110 total cpu time spent up to now is 711.4 secs Computing kpt #: 111 total cpu time spent up to now is 717.2 secs Computing kpt #: 112 total cpu time spent up to now is 723.0 secs Computing kpt #: 113 total cpu time spent up to now is 728.8 secs Computing kpt #: 114 total cpu time spent up to now is 734.7 secs Computing kpt #: 115 total cpu time spent up to now is 740.4 secs Computing kpt #: 116 total cpu time spent up to now is 746.3 secs Computing kpt #: 117 total cpu time spent up to now is 752.0 secs Computing kpt #: 118 total cpu time spent up to now is 757.8 secs Computing kpt #: 119 total cpu time spent up to now is 763.6 secs Computing kpt #: 120 total cpu time spent up to now is 769.5 secs Computing kpt #: 121 total cpu time spent up to now is 776.1 secs Computing kpt #: 122 total cpu time spent up to now is 782.5 secs Computing kpt #: 123 total cpu time spent up to now is 789.0 secs Computing kpt #: 124 total cpu time spent up to now is 795.6 secs Computing kpt #: 125 total cpu time spent up to now is 802.0 secs Computing kpt #: 126 total cpu time spent up to now is 808.4 secs Computing kpt #: 127 total cpu time spent up to now is 814.9 secs Computing kpt #: 128 total cpu time spent up to now is 821.4 secs Computing kpt #: 129 total cpu time spent up to now is 827.8 secs Computing kpt #: 130 total cpu time spent up to now is 834.3 secs Computing kpt #: 131 total cpu time spent up to now is 840.7 secs Computing kpt #: 132 total cpu time spent up to now is 847.1 secs Computing kpt #: 133 total cpu time spent up to now is 853.4 secs Computing kpt #: 134 total cpu time spent up to now is 859.7 secs Computing kpt #: 135 total cpu time spent up to now is 866.0 secs Computing kpt #: 136 total cpu time spent up to now is 872.4 secs Computing kpt #: 137 total cpu time spent up to now is 878.7 secs Computing kpt #: 138 total cpu time spent up to now is 885.1 secs Computing kpt #: 139 total cpu time spent up to now is 891.3 secs Computing kpt #: 140 total cpu time spent up to now is 897.7 secs Computing kpt #: 141 total cpu time spent up to now is 904.1 secs Computing kpt #: 142 total cpu time spent up to now is 910.4 secs Computing kpt #: 143 total cpu time spent up to now is 916.6 secs Computing kpt #: 144 total cpu time spent up to now is 924.7 secs Computing kpt #: 145 total cpu time spent up to now is 931.4 secs Computing kpt #: 146 total cpu time spent up to now is 937.9 secs Computing kpt #: 147 total cpu time spent up to now is 944.3 secs Computing kpt #: 148 total cpu time spent up to now is 950.7 secs Computing kpt #: 149 total cpu time spent up to now is 957.0 secs Computing kpt #: 150 total cpu time spent up to now is 963.3 secs Computing kpt #: 151 total cpu time spent up to now is 969.5 secs Computing kpt #: 152 total cpu time spent up to now is 975.8 secs Computing kpt #: 153 total cpu time spent up to now is 982.2 secs Computing kpt #: 154 total cpu time spent up to now is 988.5 secs Computing kpt #: 155 total cpu time spent up to now is 994.3 secs Computing kpt #: 156 total cpu time spent up to now is 1000.6 secs Computing kpt #: 157 total cpu time spent up to now is 1006.5 secs Computing kpt #: 158 total cpu time spent up to now is 1012.3 secs Computing kpt #: 159 total cpu time spent up to now is 1018.1 secs Computing kpt #: 160 total cpu time spent up to now is 1023.8 secs Computing kpt #: 161 total cpu time spent up to now is 1029.5 secs Computing kpt #: 162 total cpu time spent up to now is 1035.3 secs Computing kpt #: 163 total cpu time spent up to now is 1041.1 secs Computing kpt #: 164 total cpu time spent up to now is 1047.0 secs Computing kpt #: 165 total cpu time spent up to now is 1052.9 secs Computing kpt #: 166 total cpu time spent up to now is 1058.7 secs Computing kpt #: 167 total cpu time spent up to now is 1064.7 secs Computing kpt #: 168 total cpu time spent up to now is 1070.6 secs Computing kpt #: 169 total cpu time spent up to now is 1076.6 secs Computing kpt #: 170 total cpu time spent up to now is 1082.5 secs Computing kpt #: 171 total cpu time spent up to now is 1088.5 secs Computing kpt #: 172 total cpu time spent up to now is 1094.5 secs Computing kpt #: 173 total cpu time spent up to now is 1100.5 secs Computing kpt #: 174 total cpu time spent up to now is 1106.3 secs Computing kpt #: 175 total cpu time spent up to now is 1112.1 secs Computing kpt #: 176 total cpu time spent up to now is 1117.9 secs Computing kpt #: 177 total cpu time spent up to now is 1124.2 secs Computing kpt #: 178 total cpu time spent up to now is 1130.5 secs Computing kpt #: 179 total cpu time spent up to now is 1136.7 secs Computing kpt #: 180 total cpu time spent up to now is 1143.0 secs Computing kpt #: 181 total cpu time spent up to now is 1149.3 secs Computing kpt #: 182 total cpu time spent up to now is 1155.6 secs Computing kpt #: 183 total cpu time spent up to now is 1161.9 secs Computing kpt #: 184 total cpu time spent up to now is 1168.2 secs Computing kpt #: 185 total cpu time spent up to now is 1174.6 secs Computing kpt #: 186 total cpu time spent up to now is 1181.0 secs Computing kpt #: 187 total cpu time spent up to now is 1187.3 secs Computing kpt #: 188 total cpu time spent up to now is 1193.7 secs Computing kpt #: 189 total cpu time spent up to now is 1200.2 secs Computing kpt #: 190 total cpu time spent up to now is 1206.7 secs Computing kpt #: 191 total cpu time spent up to now is 1213.0 secs Computing kpt #: 192 total cpu time spent up to now is 1219.6 secs Computing kpt #: 193 total cpu time spent up to now is 1227.0 secs Computing kpt #: 194 total cpu time spent up to now is 1233.5 secs Computing kpt #: 195 total cpu time spent up to now is 1240.0 secs Computing kpt #: 196 total cpu time spent up to now is 1246.5 secs Computing kpt #: 197 total cpu time spent up to now is 1253.1 secs Computing kpt #: 198 total cpu time spent up to now is 1259.6 secs ethr = 1.32E-11, avg # of iterations = 20.6 total cpu time spent up to now is 1259.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7803 PWs) bands (ev): -61.9840 -61.9840 -34.8388 -34.8388 -26.1207 -26.1207 -26.1207 -26.1207 -6.0488 -6.0488 -5.6015 -5.6015 -5.5207 -5.5207 -5.5207 -5.5207 -5.3481 -5.3481 -5.3481 -5.3481 -5.2685 -5.2685 -4.9700 -4.9700 -4.9697 -4.9697 -4.9697 -4.9697 -3.2131 -3.2131 -3.2131 -3.2131 -3.1324 -3.1324 -3.0938 -3.0938 -3.0938 -3.0938 -3.0661 -3.0661 -3.0438 -3.0438 -3.0438 -3.0438 -3.0001 -3.0001 1.4080 1.4080 1.6742 1.6742 1.6742 1.6742 3.2780 3.2780 3.4344 3.4344 3.4761 3.4761 3.4761 3.4761 3.7021 3.7021 3.7021 3.7021 3.8078 3.8078 3.9939 3.9939 3.9990 3.9990 3.9990 3.9990 5.1808 5.1808 5.1808 5.1808 8.4690 8.4690 8.4690 8.4690 8.5646 8.5646 8.8386 8.8386 8.8386 8.8386 9.6690 9.6690 9.6690 9.6690 10.3432 10.3432 k = 0.0122-0.0086 0.0149 ( 7803 PWs) bands (ev): -61.9840 -61.9840 -34.8388 -34.8388 -26.1207 -26.1207 -26.1207 -26.1207 -6.0482 -6.0482 -5.6013 -5.6013 -5.5257 -5.5257 -5.5155 -5.5155 -5.3481 -5.3481 -5.3480 -5.3480 -5.2685 -5.2685 -4.9784 -4.9784 -4.9702 -4.9702 -4.9617 -4.9617 -3.2132 -3.2132 -3.2129 -3.2129 -3.1324 -3.1324 -3.0952 -3.0952 -3.0927 -3.0927 -3.0662 -3.0662 -3.0460 -3.0460 -3.0415 -3.0415 -3.0001 -3.0001 1.4056 1.4056 1.6696 1.6696 1.6752 1.6752 3.2764 3.2764 3.4289 3.4289 3.4641 3.4641 3.4885 3.4885 3.6967 3.6967 3.7168 3.7168 3.8122 3.8122 3.9954 3.9954 3.9971 3.9971 4.0036 4.0036 5.1788 5.1788 5.1841 5.1841 8.4621 8.4621 8.4742 8.4742 8.5665 8.5665 8.8356 8.8356 8.8415 8.8415 9.6515 9.6515 9.6839 9.6839 10.3403 10.3403 k = 0.0244-0.0172 0.0299 ( 7795 PWs) bands (ev): -61.9840 -61.9840 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -6.0464 -6.0464 -5.6010 -5.6010 -5.5305 -5.5305 -5.5102 -5.5102 -5.3481 -5.3481 -5.3479 -5.3479 -5.2686 -5.2686 -4.9875 -4.9875 -4.9709 -4.9709 -4.9541 -4.9541 -3.2133 -3.2133 -3.2126 -3.2126 -3.1324 -3.1324 -3.0970 -3.0970 -3.0920 -3.0920 -3.0664 -3.0664 -3.0480 -3.0480 -3.0392 -3.0392 -3.0003 -3.0003 1.3984 1.3984 1.6559 1.6559 1.6779 1.6779 3.2716 3.2716 3.4142 3.4142 3.4527 3.4527 3.4997 3.4997 3.7028 3.7028 3.7383 3.7383 3.8251 3.8251 3.9967 3.9967 4.0012 4.0012 4.0110 4.0110 5.1779 5.1779 5.1886 5.1886 8.4540 8.4540 8.4777 8.4777 8.5718 8.5718 8.8328 8.8328 8.8443 8.8443 9.6301 9.6301 9.6972 9.6972 10.3320 10.3320 k = 0.0366-0.0259 0.0448 ( 7779 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -6.0435 -6.0435 -5.6003 -5.6003 -5.5351 -5.5351 -5.5048 -5.5048 -5.3480 -5.3480 -5.3477 -5.3477 -5.2687 -5.2687 -4.9970 -4.9970 -4.9720 -4.9720 -4.9471 -4.9471 -3.2133 -3.2133 -3.2120 -3.2120 -3.1323 -3.1323 -3.0992 -3.0992 -3.0915 -3.0915 -3.0668 -3.0668 -3.0499 -3.0499 -3.0369 -3.0369 -3.0006 -3.0006 1.3864 1.3864 1.6336 1.6336 1.6827 1.6827 3.2638 3.2638 3.3939 3.3939 3.4398 3.4398 3.5097 3.5097 3.7206 3.7206 3.7641 3.7642 3.8455 3.8455 3.9991 3.9991 4.0098 4.0098 4.0217 4.0217 5.1783 5.1783 5.1942 5.1942 8.4451 8.4451 8.4792 8.4792 8.5803 8.5803 8.8305 8.8305 8.8469 8.8469 9.6039 9.6039 9.7094 9.7094 10.3191 10.3191 k = 0.0488-0.0345 0.0597 ( 7787 PWs) bands (ev): -61.9840 -61.9840 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -6.0394 -6.0394 -5.5995 -5.5995 -5.5396 -5.5396 -5.4993 -5.4993 -5.3479 -5.3479 -5.3473 -5.3473 -5.2688 -5.2688 -5.0070 -5.0070 -4.9737 -4.9737 -4.9407 -4.9407 -3.2134 -3.2134 -3.2112 -3.2112 -3.1323 -3.1323 -3.1017 -3.1017 -3.0912 -3.0912 -3.0674 -3.0674 -3.0517 -3.0517 -3.0347 -3.0347 -3.0009 -3.0009 1.3697 1.3697 1.6036 1.6036 1.6896 1.6896 3.2531 3.2531 3.3707 3.3707 3.4241 3.4241 3.5199 3.5199 3.7482 3.7482 3.7929 3.7929 3.8726 3.8726 4.0036 4.0036 4.0217 4.0217 4.0361 4.0361 5.1802 5.1802 5.2010 5.2010 8.4355 8.4355 8.4785 8.4785 8.5914 8.5914 8.8293 8.8293 8.8493 8.8493 9.5726 9.5726 9.7201 9.7201 10.3036 10.3036 k = 0.0610-0.0431 0.0747 ( 7783 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -6.0342 -6.0342 -5.5984 -5.5984 -5.5438 -5.5438 -5.4936 -5.4936 -5.3477 -5.3477 -5.3469 -5.3469 -5.2690 -5.2690 -5.0173 -5.0173 -4.9757 -4.9757 -4.9349 -4.9349 -3.2135 -3.2135 -3.2103 -3.2103 -3.1322 -3.1322 -3.1046 -3.1046 -3.0912 -3.0912 -3.0682 -3.0682 -3.0533 -3.0533 -3.0327 -3.0327 -3.0013 -3.0013 1.3485 1.3485 1.5668 1.5668 1.6989 1.6989 3.2399 3.2399 3.3454 3.3454 3.4060 3.4060 3.5312 3.5312 3.7821 3.7821 3.8238 3.8238 3.9051 3.9051 4.0111 4.0111 4.0365 4.0365 4.0551 4.0551 5.1834 5.1834 5.2090 5.2090 8.4256 8.4256 8.4755 8.4755 8.6045 8.6045 8.8296 8.8296 8.8513 8.8513 9.5367 9.5367 9.7279 9.7279 10.2877 10.2877 k = 0.0732-0.0517 0.0896 ( 7787 PWs) bands (ev): -61.9840 -61.9840 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -6.0279 -6.0279 -5.5970 -5.5970 -5.5478 -5.5478 -5.4879 -5.4879 -5.3475 -5.3475 -5.3465 -5.3465 -5.2692 -5.2692 -5.0280 -5.0280 -4.9782 -4.9782 -4.9297 -4.9297 -3.2135 -3.2135 -3.2091 -3.2091 -3.1321 -3.1321 -3.1077 -3.1077 -3.0913 -3.0913 -3.0691 -3.0691 -3.0547 -3.0547 -3.0310 -3.0310 -3.0016 -3.0016 1.3230 1.3230 1.5242 1.5242 1.7106 1.7106 3.2249 3.2249 3.3186 3.3186 3.3865 3.3865 3.5440 3.5440 3.8175 3.8175 3.8575 3.8575 3.9411 3.9411 4.0227 4.0227 4.0544 4.0544 4.0793 4.0793 5.1883 5.1883 5.2183 5.2183 8.4155 8.4155 8.4700 8.4700 8.6195 8.6195 8.8321 8.8321 8.8527 8.8527 9.4968 9.4968 9.7309 9.7309 10.2743 10.2743 k = 0.0854-0.0604 0.1046 ( 7779 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -6.0205 -6.0205 -5.5954 -5.5954 -5.5516 -5.5516 -5.4821 -5.4821 -5.3473 -5.3473 -5.3459 -5.3459 -5.2695 -5.2695 -5.0390 -5.0390 -4.9811 -4.9811 -4.9251 -4.9251 -3.2136 -3.2136 -3.2078 -3.2078 -3.1321 -3.1321 -3.1111 -3.1111 -3.0915 -3.0915 -3.0701 -3.0701 -3.0562 -3.0562 -3.0294 -3.0294 -3.0019 -3.0019 1.2937 1.2937 1.4770 1.4770 1.7248 1.7248 3.2084 3.2084 3.2905 3.2905 3.3665 3.3665 3.5578 3.5578 3.8496 3.8496 3.8946 3.8946 3.9775 3.9775 4.0406 4.0406 4.0767 4.0767 4.1091 4.1091 5.1947 5.1947 5.2290 5.2290 8.4053 8.4053 8.4621 8.4621 8.6360 8.6360 8.8368 8.8368 8.8531 8.8531 9.4543 9.4543 9.7265 9.7265 10.2666 10.2666 k = 0.0976-0.0690 0.1195 ( 7783 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -6.0121 -6.0121 -5.5936 -5.5936 -5.5552 -5.5552 -5.4762 -5.4762 -5.3470 -5.3470 -5.3453 -5.3453 -5.2699 -5.2699 -5.0502 -5.0502 -4.9843 -4.9843 -4.9212 -4.9212 -3.2137 -3.2137 -3.2062 -3.2062 -3.1321 -3.1321 -3.1146 -3.1146 -3.0917 -3.0917 -3.0714 -3.0714 -3.0576 -3.0576 -3.0282 -3.0282 -3.0021 -3.0021 1.2610 1.2610 1.4259 1.4260 1.7415 1.7415 3.1910 3.1910 3.2616 3.2616 3.3467 3.3467 3.5719 3.5719 3.8770 3.8770 3.9318 3.9318 4.0127 4.0127 4.0648 4.0648 4.1073 4.1073 4.1445 4.1445 5.2029 5.2029 5.2410 5.2410 8.3952 8.3952 8.4518 8.4518 8.6538 8.6538 8.8425 8.8425 8.8532 8.8532 9.4105 9.4105 9.7129 9.7129 10.2670 10.2670 k = 0.1098-0.0776 0.1344 ( 7771 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -6.0027 -6.0027 -5.5915 -5.5915 -5.5585 -5.5585 -5.4703 -5.4703 -5.3466 -5.3466 -5.3446 -5.3446 -5.2704 -5.2704 -5.0616 -5.0616 -4.9880 -4.9880 -4.9179 -4.9179 -3.2139 -3.2139 -3.2046 -3.2046 -3.1322 -3.1322 -3.1181 -3.1181 -3.0920 -3.0920 -3.0728 -3.0728 -3.0591 -3.0591 -3.0274 -3.0274 -3.0021 -3.0021 1.2253 1.2253 1.3721 1.3721 1.7606 1.7606 3.1727 3.1727 3.2325 3.2325 3.3273 3.3273 3.5856 3.5856 3.9012 3.9012 3.9624 3.9624 4.0509 4.0509 4.0902 4.0902 4.1494 4.1494 4.1861 4.1861 5.2128 5.2128 5.2545 5.2545 8.3851 8.3851 8.4396 8.4396 8.6725 8.6725 8.8422 8.8422 8.8589 8.8589 9.3675 9.3675 9.6893 9.6893 10.2767 10.2767 k = 0.1220-0.0862 0.1494 ( 7779 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.9924 -5.9924 -5.5893 -5.5893 -5.5615 -5.5615 -5.4644 -5.4644 -5.3462 -5.3462 -5.3438 -5.3438 -5.2710 -5.2710 -5.0731 -5.0731 -4.9920 -4.9920 -4.9153 -4.9153 -3.2141 -3.2141 -3.2027 -3.2027 -3.1326 -3.1326 -3.1214 -3.1214 -3.0923 -3.0923 -3.0743 -3.0743 -3.0607 -3.0607 -3.0268 -3.0268 -3.0020 -3.0020 1.1871 1.1871 1.3162 1.3162 1.7819 1.7819 3.1533 3.1533 3.2042 3.2042 3.3088 3.3088 3.5981 3.5982 3.9236 3.9236 3.9845 3.9845 4.0947 4.0947 4.1162 4.1162 4.1988 4.1988 4.2349 4.2349 5.2245 5.2245 5.2695 5.2695 8.3753 8.3753 8.4260 8.4260 8.6916 8.6916 8.8342 8.8342 8.8705 8.8705 9.3274 9.3274 9.6564 9.6564 10.2955 10.2955 k = 0.1341-0.0949 0.1643 ( 7763 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.9812 -5.9812 -5.5869 -5.5869 -5.5643 -5.5643 -5.4585 -5.4585 -5.3457 -5.3457 -5.3430 -5.3430 -5.2717 -5.2717 -5.0847 -5.0847 -4.9964 -4.9964 -4.9134 -4.9134 -3.2143 -3.2143 -3.2008 -3.2008 -3.1335 -3.1335 -3.1242 -3.1242 -3.0926 -3.0926 -3.0760 -3.0760 -3.0624 -3.0624 -3.0265 -3.0265 -3.0017 -3.0017 1.1469 1.1469 1.2590 1.2590 1.8054 1.8054 3.1318 3.1318 3.1783 3.1783 3.2913 3.2913 3.6087 3.6087 3.9450 3.9450 4.0011 4.0011 4.1319 4.1319 4.1543 4.1543 4.2496 4.2496 4.2918 4.2918 5.2379 5.2379 5.2860 5.2860 8.3656 8.3656 8.4116 8.4116 8.7097 8.7097 8.8207 8.8207 8.8844 8.8844 9.2924 9.2924 9.6159 9.6159 10.3220 10.3220 k = 0.1463-0.1035 0.1792 ( 7755 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.9693 -5.9693 -5.5843 -5.5843 -5.5666 -5.5666 -5.4527 -5.4527 -5.3451 -5.3451 -5.3421 -5.3421 -5.2726 -5.2726 -5.0963 -5.0963 -5.0010 -5.0010 -4.9121 -4.9121 -3.2146 -3.2146 -3.1987 -3.1987 -3.1353 -3.1353 -3.1261 -3.1261 -3.0929 -3.0929 -3.0779 -3.0779 -3.0644 -3.0644 -3.0263 -3.0263 -3.0014 -3.0014 1.1050 1.1050 1.2010 1.2010 1.8308 1.8308 3.1074 3.1074 3.1563 3.1563 3.2748 3.2748 3.6166 3.6166 3.9660 3.9660 4.0153 4.0153 4.1582 4.1583 4.2071 4.2071 4.3004 4.3004 4.3548 4.3548 5.2530 5.2530 5.3039 5.3039 8.3563 8.3563 8.3970 8.3970 8.7235 8.7235 8.8041 8.8041 8.8994 8.8994 9.2645 9.2645 9.5701 9.5701 10.3540 10.3540 k = 0.1585-0.1121 0.1942 ( 7771 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.9566 -5.9566 -5.5817 -5.5817 -5.5686 -5.5686 -5.4470 -5.4470 -5.3444 -5.3444 -5.3412 -5.3412 -5.2737 -5.2737 -5.1078 -5.1078 -5.0060 -5.0060 -4.9115 -4.9115 -3.2149 -3.2149 -3.1965 -3.1965 -3.1379 -3.1379 -3.1271 -3.1271 -3.0931 -3.0931 -3.0799 -3.0799 -3.0665 -3.0665 -3.0264 -3.0264 -3.0010 -3.0010 1.0619 1.0619 1.1428 1.1428 1.8580 1.8581 3.0807 3.0807 3.1383 3.1383 3.2593 3.2593 3.6213 3.6213 3.9870 3.9870 4.0287 4.0287 4.1837 4.1837 4.2637 4.2637 4.3518 4.3518 4.4210 4.4210 5.2697 5.2697 5.3232 5.3232 8.3471 8.3471 8.3829 8.3829 8.7228 8.7228 8.7934 8.7934 8.9149 8.9149 9.2450 9.2450 9.5215 9.5215 10.3890 10.3890 k = 0.1707-0.1207 0.2091 ( 7747 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.9433 -5.9433 -5.5793 -5.5793 -5.5698 -5.5698 -5.4415 -5.4415 -5.3436 -5.3436 -5.3402 -5.3402 -5.2749 -5.2749 -5.1191 -5.1191 -5.0112 -5.0112 -4.9116 -4.9116 -3.2153 -3.2153 -3.1943 -3.1943 -3.1410 -3.1410 -3.1274 -3.1274 -3.0933 -3.0933 -3.0820 -3.0820 -3.0688 -3.0688 -3.0264 -3.0264 -3.0006 -3.0006 1.0179 1.0179 1.0848 1.0848 1.8868 1.8868 3.0529 3.0529 3.1234 3.1234 3.2450 3.2450 3.6226 3.6226 4.0080 4.0080 4.0422 4.0422 4.2098 4.2098 4.3220 4.3220 4.4042 4.4042 4.4884 4.4884 5.2880 5.2881 5.3437 5.3437 8.3380 8.3380 8.3699 8.3699 8.6978 8.6978 8.7984 8.7984 8.9298 8.9298 9.2341 9.2341 9.4723 9.4723 10.4238 10.4238 k = 0.1829-0.1293 0.2240 ( 7767 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.9294 -5.9294 -5.5776 -5.5776 -5.5698 -5.5698 -5.4362 -5.4362 -5.3427 -5.3427 -5.3391 -5.3391 -5.2764 -5.2764 -5.1302 -5.1302 -5.0166 -5.0166 -4.9123 -4.9123 -3.2158 -3.2158 -3.1920 -3.1920 -3.1442 -3.1442 -3.1276 -3.1276 -3.0935 -3.0935 -3.0843 -3.0843 -3.0713 -3.0713 -3.0266 -3.0266 -3.0003 -3.0003 0.9733 0.9733 1.0274 1.0274 1.9167 1.9167 3.0255 3.0255 3.1109 3.1109 3.2318 3.2318 3.6202 3.6202 4.0289 4.0289 4.0564 4.0564 4.2367 4.2367 4.3813 4.3813 4.4576 4.4576 4.5553 4.5553 5.3078 5.3078 5.3650 5.3650 8.3286 8.3286 8.3588 8.3588 8.6572 8.6572 8.8106 8.8106 8.9434 8.9434 9.2310 9.2310 9.4251 9.4251 10.4535 10.4535 k = 0.1951-0.1380 0.2390 ( 7759 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.9151 -5.9151 -5.5770 -5.5770 -5.5680 -5.5680 -5.4312 -5.4312 -5.3416 -5.3416 -5.3379 -5.3379 -5.2782 -5.2782 -5.1410 -5.1410 -5.0222 -5.0222 -4.9138 -4.9138 -3.2164 -3.2164 -3.1897 -3.1897 -3.1474 -3.1474 -3.1276 -3.1276 -3.0936 -3.0936 -3.0866 -3.0866 -3.0738 -3.0738 -3.0267 -3.0267 -3.0001 -3.0001 0.9285 0.9285 0.9708 0.9708 1.9475 1.9475 2.9996 2.9996 3.1004 3.1004 3.2196 3.2196 3.6140 3.6140 4.0493 4.0493 4.0721 4.0721 4.2644 4.2644 4.4412 4.4412 4.5120 4.5120 4.6209 4.6209 5.3289 5.3289 5.3870 5.3870 8.3183 8.3183 8.3501 8.3501 8.6094 8.6094 8.8224 8.8224 8.9547 8.9547 9.2345 9.2345 9.3827 9.3827 10.4696 10.4696 k = 0.2073-0.1466 0.2539 ( 7755 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.9005 -5.9005 -5.5771 -5.5771 -5.5651 -5.5651 -5.4265 -5.4265 -5.3404 -5.3404 -5.3365 -5.3365 -5.2802 -5.2802 -5.1512 -5.1512 -5.0280 -5.0280 -4.9158 -4.9158 -3.2170 -3.2170 -3.1874 -3.1874 -3.1505 -3.1504 -3.1275 -3.1275 -3.0940 -3.0940 -3.0889 -3.0889 -3.0763 -3.0763 -3.0269 -3.0269 -2.9999 -2.9999 0.8835 0.8835 0.9154 0.9154 1.9788 1.9788 2.9760 2.9760 3.0914 3.0914 3.2086 3.2086 3.6043 3.6043 4.0682 4.0682 4.0902 4.0902 4.2928 4.2928 4.5015 4.5015 4.5670 4.5670 4.6844 4.6844 5.3511 5.3511 5.4091 5.4091 8.3065 8.3065 8.3441 8.3441 8.5586 8.5586 8.8299 8.8299 8.9631 8.9631 9.2433 9.2433 9.3478 9.3478 10.4591 10.4591 k = 0.2195-0.1552 0.2688 ( 7755 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.8856 -5.8856 -5.5773 -5.5773 -5.5617 -5.5617 -5.4224 -5.4224 -5.3391 -5.3391 -5.3348 -5.3348 -5.2824 -5.2824 -5.1610 -5.1610 -5.0338 -5.0338 -4.9185 -4.9185 -3.2178 -3.2178 -3.1852 -3.1852 -3.1533 -3.1533 -3.1274 -3.1274 -3.0950 -3.0950 -3.0907 -3.0907 -3.0786 -3.0786 -3.0271 -3.0271 -2.9999 -2.9999 0.8388 0.8388 0.8614 0.8614 2.0100 2.0100 2.9556 2.9556 3.0839 3.0839 3.1986 3.1986 3.5912 3.5912 4.0854 4.0854 4.1109 4.1109 4.3218 4.3218 4.5618 4.5618 4.6226 4.6226 4.7451 4.7451 5.3743 5.3743 5.4310 5.4310 8.2926 8.2926 8.3407 8.3407 8.5082 8.5082 8.8301 8.8301 8.9689 8.9689 9.2561 9.2561 9.3228 9.3228 10.4154 10.4154 k = 0.2317-0.1638 0.2838 ( 7755 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.8707 -5.8707 -5.5772 -5.5772 -5.5579 -5.5579 -5.4189 -5.4189 -5.3379 -5.3379 -5.3327 -5.3327 -5.2850 -5.2850 -5.1701 -5.1701 -5.0398 -5.0398 -4.9219 -4.9219 -3.2187 -3.2187 -3.1830 -3.1830 -3.1558 -3.1558 -3.1274 -3.1274 -3.0969 -3.0969 -3.0918 -3.0918 -3.0806 -3.0806 -3.0273 -3.0273 -3.0000 -3.0000 0.7943 0.7943 0.8090 0.8090 2.0406 2.0406 2.9390 2.9390 3.0778 3.0778 3.1896 3.1896 3.5749 3.5749 4.1014 4.1014 4.1337 4.1337 4.3511 4.3511 4.6219 4.6219 4.6784 4.6784 4.8028 4.8028 5.3982 5.3982 5.4523 5.4523 8.2746 8.2746 8.3396 8.3396 8.4617 8.4617 8.8201 8.8201 8.9734 8.9734 9.2717 9.2717 9.3090 9.3090 10.3454 10.3455 k = 0.2439-0.1725 0.2987 ( 7755 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.8558 -5.8558 -5.5768 -5.5768 -5.5539 -5.5539 -5.4161 -5.4161 -5.3368 -5.3368 -5.3300 -5.3300 -5.2878 -5.2878 -5.1785 -5.1785 -5.0457 -5.0457 -4.9258 -4.9258 -3.2197 -3.2197 -3.1809 -3.1809 -3.1580 -3.1580 -3.1274 -3.1274 -3.0995 -3.0995 -3.0925 -3.0925 -3.0822 -3.0822 -3.0275 -3.0275 -3.0002 -3.0002 0.7504 0.7504 0.7584 0.7584 2.0700 2.0700 2.9272 2.9272 3.0729 3.0729 3.1815 3.1815 3.5559 3.5559 4.1169 4.1169 4.1577 4.1577 4.3806 4.3806 4.6815 4.6815 4.7343 4.7343 4.8571 4.8571 5.4222 5.4222 5.4727 5.4727 8.2500 8.2500 8.3404 8.3404 8.4233 8.4233 8.7992 8.7992 8.9779 8.9779 9.2891 9.2891 9.3058 9.3058 10.2599 10.2599 k = 0.2561-0.1811 0.3137 ( 7771 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.8410 -5.8410 -5.5760 -5.5760 -5.5498 -5.5498 -5.4141 -5.4141 -5.3358 -5.3357 -5.3267 -5.3267 -5.2907 -5.2907 -5.1861 -5.1861 -5.0517 -5.0517 -4.9304 -4.9304 -3.2209 -3.2209 -3.1790 -3.1790 -3.1599 -3.1599 -3.1276 -3.1276 -3.1023 -3.1023 -3.0933 -3.0933 -3.0832 -3.0832 -3.0277 -3.0277 -3.0005 -3.0005 0.7065 0.7065 0.7104 0.7104 2.0974 2.0974 2.9209 2.9209 3.0692 3.0692 3.1744 3.1744 3.5345 3.5345 4.1324 4.1324 4.1825 4.1825 4.4097 4.4098 4.7404 4.7404 4.7898 4.7898 4.9080 4.9080 5.4459 5.4459 5.4920 5.4920 8.2166 8.2166 8.3424 8.3424 8.3967 8.3967 8.7689 8.7689 8.9829 8.9829 9.3074 9.3074 9.3111 9.3111 10.1662 10.1662 k = 0.2683-0.1897 0.3286 ( 7780 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.8266 -5.8266 -5.5747 -5.5747 -5.5456 -5.5456 -5.4131 -5.4131 -5.3348 -5.3348 -5.3228 -5.3228 -5.2937 -5.2937 -5.1929 -5.1929 -5.0576 -5.0576 -4.9356 -4.9356 -3.2222 -3.2222 -3.1772 -3.1772 -3.1615 -3.1615 -3.1281 -3.1281 -3.1051 -3.1051 -3.0944 -3.0944 -3.0836 -3.0836 -3.0280 -3.0280 -3.0010 -3.0010 0.6613 0.6613 0.6665 0.6665 2.1222 2.1222 2.9208 2.9208 3.0666 3.0666 3.1681 3.1681 3.5110 3.5110 4.1478 4.1478 4.2077 4.2077 4.4384 4.4384 4.7982 4.7982 4.8446 4.8446 4.9557 4.9557 5.4687 5.4687 5.5102 5.5102 8.1753 8.1754 8.3438 8.3438 8.3830 8.3830 8.7321 8.7321 8.9875 8.9875 9.3219 9.3219 9.3263 9.3263 10.0695 10.0695 k = 0.2805-0.1983 0.3435 ( 7768 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.8125 -5.8125 -5.5729 -5.5729 -5.5414 -5.5414 -5.4130 -5.4130 -5.3339 -5.3339 -5.3183 -5.3183 -5.2966 -5.2966 -5.1989 -5.1989 -5.0634 -5.0634 -4.9413 -4.9413 -3.2236 -3.2236 -3.1755 -3.1755 -3.1627 -3.1627 -3.1289 -3.1289 -3.1075 -3.1075 -3.0959 -3.0958 -3.0833 -3.0833 -3.0283 -3.0283 -3.0015 -3.0015 0.6168 0.6168 0.6252 0.6252 2.1439 2.1439 2.9275 2.9275 3.0651 3.0651 3.1627 3.1627 3.4859 3.4859 4.1631 4.1631 4.2332 4.2332 4.4662 4.4662 4.8546 4.8546 4.8985 4.8985 5.0002 5.0002 5.4896 5.4896 5.5274 5.5274 8.1294 8.1294 8.3427 8.3427 8.3814 8.3814 8.6917 8.6917 8.9907 8.9907 9.3366 9.3366 9.3445 9.3445 9.9735 9.9735 k = 0.2927-0.2070 0.3585 ( 7780 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7990 -5.7990 -5.5706 -5.5706 -5.5373 -5.5373 -5.4139 -5.4139 -5.3330 -5.3330 -5.3137 -5.3137 -5.2989 -5.2989 -5.2042 -5.2041 -5.0691 -5.0691 -4.9477 -4.9477 -3.2251 -3.2251 -3.1741 -3.1741 -3.1635 -3.1635 -3.1302 -3.1302 -3.1095 -3.1095 -3.0974 -3.0974 -3.0826 -3.0826 -3.0288 -3.0288 -3.0022 -3.0022 0.5742 0.5742 0.5853 0.5853 2.1621 2.1621 2.9412 2.9412 3.0645 3.0645 3.1579 3.1579 3.4595 3.4595 4.1784 4.1784 4.2587 4.2587 4.4926 4.4926 4.9095 4.9095 4.9509 4.9509 5.0420 5.0420 5.5077 5.5077 5.5439 5.5440 8.0817 8.0817 8.3395 8.3395 8.3881 8.3881 8.6500 8.6500 8.9912 8.9912 9.3527 9.3527 9.3617 9.3617 9.8816 9.8816 k = 0.3049-0.2156 0.3734 ( 7776 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7862 -5.7862 -5.5678 -5.5678 -5.5332 -5.5332 -5.4157 -5.4157 -5.3322 -5.3322 -5.3099 -5.3099 -5.2996 -5.2996 -5.2086 -5.2086 -5.0747 -5.0747 -4.9545 -4.9545 -3.2267 -3.2267 -3.1729 -3.1729 -3.1639 -3.1639 -3.1320 -3.1320 -3.1110 -3.1110 -3.0991 -3.0991 -3.0816 -3.0816 -3.0292 -3.0292 -3.0029 -3.0029 0.5337 0.5337 0.5468 0.5468 2.1766 2.1766 2.9620 2.9620 3.0649 3.0649 3.1538 3.1538 3.4323 3.4323 4.1936 4.1936 4.2842 4.2842 4.5174 4.5174 4.9626 4.9626 5.0015 5.0015 5.0814 5.0814 5.5226 5.5226 5.5601 5.5601 8.0344 8.0344 8.3359 8.3359 8.3992 8.3992 8.6090 8.6090 8.9877 8.9877 9.3690 9.3690 9.3774 9.3774 9.7964 9.7964 k = 0.3171-0.2242 0.3883 ( 7764 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7740 -5.7740 -5.5645 -5.5645 -5.5293 -5.5293 -5.4184 -5.4184 -5.3315 -5.3315 -5.3091 -5.3091 -5.2964 -5.2964 -5.2123 -5.2123 -5.0800 -5.0800 -4.9619 -4.9619 -3.2283 -3.2283 -3.1719 -3.1719 -3.1639 -3.1639 -3.1342 -3.1342 -3.1120 -3.1120 -3.1007 -3.1007 -3.0804 -3.0804 -3.0298 -3.0298 -3.0036 -3.0036 0.4955 0.4955 0.5098 0.5098 2.1876 2.1876 2.9895 2.9895 3.0664 3.0664 3.1502 3.1502 3.4046 3.4046 4.2084 4.2084 4.3095 4.3095 4.5399 4.5399 5.0135 5.0135 5.0498 5.0498 5.1188 5.1188 5.5341 5.5341 5.5755 5.5755 7.9887 7.9887 8.3320 8.3320 8.4121 8.4121 8.5704 8.5704 8.9788 8.9788 9.3841 9.3841 9.3913 9.3913 9.7205 9.7205 k = 0.3293-0.2328 0.4033 ( 7756 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7628 -5.7628 -5.5607 -5.5607 -5.5256 -5.5256 -5.4219 -5.4219 -5.3308 -5.3308 -5.3104 -5.3104 -5.2903 -5.2903 -5.2152 -5.2152 -5.0851 -5.0851 -4.9698 -4.9698 -3.2301 -3.2301 -3.1712 -3.1712 -3.1636 -3.1636 -3.1367 -3.1367 -3.1127 -3.1127 -3.1023 -3.1023 -3.0790 -3.0790 -3.0304 -3.0304 -3.0044 -3.0044 0.4596 0.4597 0.4745 0.4745 2.1953 2.1953 3.0225 3.0225 3.0693 3.0693 3.1471 3.1471 3.3768 3.3768 4.2229 4.2229 4.3343 4.3343 4.5596 4.5596 5.0621 5.0621 5.0951 5.0951 5.1548 5.1548 5.5429 5.5429 5.5896 5.5896 7.9454 7.9454 8.3276 8.3276 8.4239 8.4239 8.5370 8.5370 8.9636 8.9636 9.3965 9.3965 9.4035 9.4035 9.6558 9.6558 k = 0.3415-0.2415 0.4182 ( 7752 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7524 -5.7524 -5.5565 -5.5565 -5.5222 -5.5222 -5.4259 -5.4259 -5.3301 -5.3301 -5.3121 -5.3121 -5.2831 -5.2831 -5.2174 -5.2174 -5.0900 -5.0900 -4.9782 -4.9782 -3.2318 -3.2318 -3.1705 -3.1705 -3.1631 -3.1631 -3.1393 -3.1393 -3.1131 -3.1131 -3.1039 -3.1039 -3.0774 -3.0774 -3.0311 -3.0311 -3.0053 -3.0053 0.4261 0.4261 0.4409 0.4410 2.2003 2.2003 3.0547 3.0547 3.0792 3.0792 3.1444 3.1444 3.3493 3.3493 4.2367 4.2367 4.3586 4.3586 4.5762 4.5762 5.1082 5.1082 5.1370 5.1370 5.1897 5.1897 5.5496 5.5496 5.6019 5.6019 7.9050 7.9050 8.3222 8.3222 8.4290 8.4290 8.5146 8.5146 8.9417 8.9417 9.4050 9.4050 9.4143 9.4143 9.6035 9.6035 k = 0.3537-0.2501 0.4331 ( 7744 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7429 -5.7429 -5.5519 -5.5519 -5.5191 -5.5191 -5.4304 -5.4304 -5.3295 -5.3295 -5.3138 -5.3138 -5.2752 -5.2752 -5.2188 -5.2188 -5.0946 -5.0946 -4.9871 -4.9871 -3.2335 -3.2335 -3.1700 -3.1700 -3.1624 -3.1624 -3.1421 -3.1420 -3.1133 -3.1133 -3.1053 -3.1053 -3.0757 -3.0756 -3.0318 -3.0318 -3.0061 -3.0061 0.3950 0.3950 0.4093 0.4093 2.2032 2.2032 3.0671 3.0671 3.1139 3.1139 3.1422 3.1422 3.3225 3.3225 4.2498 4.2498 4.3822 4.3822 4.5891 4.5891 5.1515 5.1515 5.1751 5.1751 5.2239 5.2239 5.5548 5.5548 5.6119 5.6119 7.8678 7.8678 8.3154 8.3154 8.4197 8.4197 8.5107 8.5107 8.9136 8.9136 9.4094 9.4094 9.4233 9.4233 9.5635 9.5635 k = 0.3659-0.2587 0.4481 ( 7736 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7343 -5.7343 -5.5470 -5.5470 -5.5165 -5.5165 -5.4352 -5.4352 -5.3290 -5.3290 -5.3154 -5.3154 -5.2672 -5.2672 -5.2193 -5.2193 -5.0988 -5.0988 -4.9964 -4.9964 -3.2352 -3.2352 -3.1696 -3.1696 -3.1616 -3.1616 -3.1447 -3.1447 -3.1135 -3.1135 -3.1067 -3.1067 -3.0738 -3.0738 -3.0327 -3.0327 -3.0070 -3.0070 0.3663 0.3663 0.3796 0.3796 2.2044 2.2044 3.0718 3.0718 3.1394 3.1394 3.1609 3.1609 3.2972 3.2972 4.2619 4.2619 4.4048 4.4048 4.5981 4.5981 5.1919 5.1919 5.2095 5.2095 5.2571 5.2571 5.5592 5.5592 5.6196 5.6196 7.8340 7.8340 8.3067 8.3067 8.3998 8.3998 8.5214 8.5214 8.8810 8.8810 9.4103 9.4103 9.4299 9.4299 9.5341 9.5341 k = 0.3780-0.2673 0.4630 ( 7744 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7266 -5.7266 -5.5420 -5.5420 -5.5143 -5.5143 -5.4401 -5.4401 -5.3285 -5.3285 -5.3169 -5.3169 -5.2593 -5.2593 -5.2184 -5.2184 -5.1028 -5.1028 -5.0062 -5.0062 -3.2369 -3.2369 -3.1691 -3.1691 -3.1608 -3.1608 -3.1472 -3.1472 -3.1137 -3.1137 -3.1080 -3.1080 -3.0719 -3.0719 -3.0337 -3.0337 -3.0078 -3.0078 0.3401 0.3401 0.3521 0.3521 2.2044 2.2044 3.0756 3.0756 3.1374 3.1374 3.2087 3.2087 3.2756 3.2756 4.2728 4.2728 4.4264 4.4264 4.6028 4.6028 5.2292 5.2292 5.2405 5.2405 5.2888 5.2888 5.5633 5.5633 5.6247 5.6247 7.8037 7.8037 8.2962 8.2962 8.3775 8.3775 8.5381 8.5381 8.8462 8.8462 9.4083 9.4083 9.4340 9.4340 9.5128 9.5128 k = 0.3902-0.2759 0.4779 ( 7744 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7198 -5.7198 -5.5368 -5.5368 -5.5125 -5.5125 -5.4449 -5.4449 -5.3281 -5.3281 -5.3183 -5.3183 -5.2522 -5.2522 -5.2159 -5.2159 -5.1064 -5.1064 -5.0164 -5.0164 -3.2385 -3.2385 -3.1687 -3.1687 -3.1600 -3.1600 -3.1494 -3.1494 -3.1139 -3.1139 -3.1092 -3.1092 -3.0698 -3.0698 -3.0348 -3.0348 -3.0085 -3.0085 0.3163 0.3163 0.3268 0.3268 2.2037 2.2037 3.0792 3.0792 3.1351 3.1351 3.2354 3.2354 3.2793 3.2793 4.2821 4.2821 4.4466 4.4466 4.6034 4.6034 5.2634 5.2634 5.2688 5.2688 5.3184 5.3184 5.5673 5.5673 5.6275 5.6275 7.7768 7.7768 8.2841 8.2841 8.3563 8.3563 8.5566 8.5566 8.8115 8.8115 9.4045 9.4045 9.4357 9.4357 9.4967 9.4967 k = 0.4024-0.2846 0.4929 ( 7740 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.7138 -5.7138 -5.5318 -5.5318 -5.5109 -5.5109 -5.4496 -5.4496 -5.3277 -5.3277 -5.3197 -5.3197 -5.2466 -5.2466 -5.2111 -5.2111 -5.1097 -5.1097 -5.0270 -5.0270 -3.2400 -3.2400 -3.1683 -3.1683 -3.1594 -3.1594 -3.1512 -3.1512 -3.1141 -3.1141 -3.1104 -3.1104 -3.0677 -3.0677 -3.0360 -3.0360 -3.0093 -3.0092 0.2950 0.2950 0.3039 0.3039 2.2025 2.2025 3.0828 3.0828 3.1324 3.1324 3.2218 3.2218 3.3263 3.3263 4.2897 4.2897 4.4654 4.4654 4.6001 4.6001 5.2938 5.2938 5.2952 5.2952 5.3451 5.3451 5.5715 5.5715 5.6280 5.6280 7.7533 7.7533 8.2712 8.2712 8.3369 8.3369 8.5754 8.5754 8.7789 8.7789 9.3997 9.3997 9.4352 9.4352 9.4834 9.4834 k = 0.4146-0.2932 0.5078 ( 7732 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7085 -5.7085 -5.5273 -5.5273 -5.5095 -5.5095 -5.4541 -5.4541 -5.3273 -5.3273 -5.3209 -5.3209 -5.2426 -5.2426 -5.2038 -5.2038 -5.1126 -5.1126 -5.0380 -5.0380 -3.2413 -3.2413 -3.1679 -3.1679 -3.1593 -3.1593 -3.1524 -3.1524 -3.1144 -3.1144 -3.1114 -3.1114 -3.0656 -3.0656 -3.0373 -3.0373 -3.0099 -3.0099 0.2762 0.2762 0.2834 0.2834 2.2012 2.2012 3.0863 3.0863 3.1292 3.1292 3.2049 3.2049 3.3790 3.3790 4.2950 4.2951 4.4825 4.4825 4.5935 4.5935 5.3181 5.3181 5.3224 5.3224 5.3687 5.3687 5.5761 5.5761 5.6266 5.6266 7.7329 7.7329 8.2584 8.2584 8.3191 8.3191 8.5933 8.5933 8.7497 8.7497 9.3946 9.3946 9.4330 9.4330 9.4714 9.4714 k = 0.4268-0.3018 0.5228 ( 7724 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7041 -5.7041 -5.5235 -5.5235 -5.5076 -5.5076 -5.4584 -5.4584 -5.3270 -5.3270 -5.3221 -5.3221 -5.2401 -5.2401 -5.1945 -5.1945 -5.1152 -5.1152 -5.0493 -5.0493 -3.2426 -3.2426 -3.1675 -3.1675 -3.1597 -3.1597 -3.1528 -3.1528 -3.1147 -3.1147 -3.1124 -3.1124 -3.0633 -3.0633 -3.0388 -3.0388 -3.0104 -3.0104 0.2598 0.2598 0.2654 0.2655 2.1999 2.1999 3.0896 3.0896 3.1252 3.1252 3.1902 3.1902 3.4310 3.4310 4.2980 4.2980 4.4978 4.4978 4.5845 4.5845 5.3396 5.3396 5.3471 5.3471 5.3889 5.3889 5.5808 5.5808 5.6235 5.6235 7.7155 7.7155 8.2469 8.2469 8.3026 8.3026 8.6098 8.6098 8.7247 8.7247 9.3897 9.3897 9.4294 9.4294 9.4601 9.4601 k = 0.4390-0.3104 0.5377 ( 7712 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7003 -5.7003 -5.5210 -5.5210 -5.5049 -5.5049 -5.4626 -5.4626 -5.3267 -5.3267 -5.3231 -5.3231 -5.2384 -5.2384 -5.1839 -5.1839 -5.1174 -5.1174 -5.0609 -5.0609 -3.2436 -3.2436 -3.1671 -3.1671 -3.1605 -3.1605 -3.1526 -3.1526 -3.1150 -3.1150 -3.1133 -3.1133 -3.0611 -3.0611 -3.0404 -3.0404 -3.0109 -3.0109 0.2460 0.2460 0.2501 0.2501 2.1987 2.1987 3.0926 3.0926 3.1203 3.1203 3.1785 3.1786 3.4803 3.4803 4.2985 4.2985 4.5111 4.5111 4.5743 4.5743 5.3586 5.3586 5.3688 5.3688 5.4055 5.4055 5.5856 5.5856 5.6191 5.6191 7.7009 7.7009 8.2374 8.2374 8.2873 8.2873 8.6245 8.6245 8.7041 8.7041 9.3853 9.3853 9.4250 9.4250 9.4493 9.4493 k = 0.4512-0.3191 0.5526 ( 7728 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.6972 -5.6972 -5.5198 -5.5198 -5.5013 -5.5013 -5.4667 -5.4667 -5.3265 -5.3265 -5.3241 -5.3241 -5.2373 -5.2373 -5.1724 -5.1724 -5.1192 -5.1192 -5.0728 -5.0728 -3.2445 -3.2445 -3.1668 -3.1668 -3.1615 -3.1615 -3.1521 -3.1521 -3.1152 -3.1152 -3.1141 -3.1141 -3.0588 -3.0588 -3.0421 -3.0421 -3.0112 -3.0112 0.2347 0.2347 0.2375 0.2375 2.1977 2.1977 3.0953 3.0953 3.1148 3.1148 3.1701 3.1701 3.5250 3.5250 4.2966 4.2966 4.5221 4.5221 4.5641 4.5641 5.3748 5.3748 5.3876 5.3876 5.4184 5.4184 5.5901 5.5901 5.6140 5.6140 7.6891 7.6891 8.2305 8.2305 8.2732 8.2732 8.6370 8.6370 8.6878 8.6878 9.3817 9.3817 9.4205 9.4205 9.4392 9.4392 k = 0.4634-0.3277 0.5676 ( 7736 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.6948 -5.6948 -5.5195 -5.5195 -5.4970 -5.4970 -5.4708 -5.4708 -5.3264 -5.3264 -5.3249 -5.3249 -5.2365 -5.2365 -5.1603 -5.1603 -5.1206 -5.1206 -5.0850 -5.0850 -3.2452 -3.2452 -3.1664 -3.1664 -3.1625 -3.1625 -3.1516 -3.1516 -3.1155 -3.1155 -3.1148 -3.1148 -3.0566 -3.0566 -3.0439 -3.0439 -3.0115 -3.0115 0.2259 0.2259 0.2276 0.2276 2.1968 2.1968 3.0975 3.0975 3.1094 3.1094 3.1644 3.1644 3.5630 3.5630 4.2930 4.2930 4.5309 4.5309 4.5551 4.5551 5.3877 5.3877 5.4037 5.4037 5.4277 5.4277 5.5940 5.5940 5.6088 5.6088 7.6799 7.6799 8.2266 8.2266 8.2604 8.2604 8.6469 8.6469 8.6756 8.6756 9.3791 9.3791 9.4164 9.4164 9.4301 9.4301 k = 0.4756-0.3363 0.5825 ( 7712 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.6931 -5.6931 -5.5195 -5.5195 -5.4925 -5.4925 -5.4749 -5.4749 -5.3262 -5.3262 -5.3254 -5.3254 -5.2360 -5.2360 -5.1479 -5.1479 -5.1216 -5.1216 -5.0974 -5.0974 -3.2458 -3.2458 -3.1659 -3.1659 -3.1634 -3.1634 -3.1511 -3.1511 -3.1156 -3.1156 -3.1153 -3.1153 -3.0543 -3.0543 -3.0458 -3.0458 -3.0117 -3.0117 0.2196 0.2196 0.2204 0.2204 2.1962 2.1962 3.0992 3.0992 3.1049 3.1049 3.1608 3.1608 3.5923 3.5923 4.2889 4.2889 4.5373 4.5373 4.5482 4.5482 5.3972 5.3972 5.4167 5.4168 5.4332 5.4332 5.5971 5.5971 5.6042 5.6042 7.6733 7.6733 8.2257 8.2257 8.2491 8.2491 8.6542 8.6542 8.6672 8.6672 9.3773 9.3773 9.4136 9.4136 9.4226 9.4226 k = 0.4878-0.3449 0.5974 ( 7712 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.6921 -5.6921 -5.5196 -5.5196 -5.4880 -5.4880 -5.4792 -5.4792 -5.3261 -5.3261 -5.3258 -5.3258 -5.2357 -5.2357 -5.1353 -5.1353 -5.1223 -5.1223 -5.1099 -5.1099 -3.2461 -3.2461 -3.1655 -3.1655 -3.1642 -3.1642 -3.1508 -3.1508 -3.1157 -3.1157 -3.1156 -3.1156 -3.0521 -3.0521 -3.0479 -3.0479 -3.0118 -3.0118 0.2159 0.2159 0.2161 0.2161 2.1959 2.1959 3.1003 3.1003 3.1019 3.1019 3.1589 3.1589 3.6109 3.6109 4.2855 4.2855 4.5411 4.5411 4.5439 4.5439 5.4029 5.4029 5.4265 5.4265 5.4349 5.4349 5.5991 5.5991 5.6011 5.6011 7.6693 7.6693 8.2277 8.2277 8.2397 8.2397 8.6586 8.6586 8.6622 8.6622 9.3765 9.3765 9.4124 9.4124 9.4169 9.4169 k = 0.5000-0.3536 0.6124 ( 7712 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.6918 -5.6918 -5.5196 -5.5196 -5.4835 -5.4835 -5.4835 -5.4835 -5.3260 -5.3260 -5.3260 -5.3260 -5.2356 -5.2356 -5.1231 -5.1231 -5.1223 -5.1223 -5.1223 -5.1223 -3.2462 -3.2462 -3.1649 -3.1649 -3.1649 -3.1649 -3.1507 -3.1507 -3.1157 -3.1157 -3.1157 -3.1157 -3.0500 -3.0500 -3.0500 -3.0500 -3.0119 -3.0119 0.2147 0.2147 0.2147 0.2147 2.1958 2.1958 3.1007 3.1007 3.1007 3.1007 3.1582 3.1582 3.6173 3.6173 4.2842 4.2842 4.5424 4.5424 4.5424 4.5424 5.4048 5.4048 5.4327 5.4327 5.4327 5.4327 5.5998 5.5998 5.5998 5.5998 7.6680 7.6680 8.2325 8.2325 8.2325 8.2325 8.6604 8.6604 8.6604 8.6604 9.3762 9.3762 9.4135 9.4135 9.4135 9.4135 k = 0.5000-0.3536 0.6124 ( 7712 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.6918 -5.6918 -5.5196 -5.5196 -5.4835 -5.4835 -5.4835 -5.4835 -5.3260 -5.3260 -5.3260 -5.3260 -5.2356 -5.2356 -5.1231 -5.1231 -5.1223 -5.1223 -5.1223 -5.1223 -3.2462 -3.2462 -3.1649 -3.1649 -3.1649 -3.1649 -3.1507 -3.1507 -3.1157 -3.1157 -3.1157 -3.1157 -3.0500 -3.0500 -3.0500 -3.0500 -3.0119 -3.0119 0.2147 0.2147 0.2147 0.2147 2.1958 2.1958 3.1007 3.1007 3.1007 3.1007 3.1582 3.1582 3.6173 3.6173 4.2842 4.2842 4.5424 4.5424 4.5424 4.5424 5.4048 5.4048 5.4327 5.4327 5.4327 5.4327 5.5998 5.5998 5.5998 5.5998 7.6680 7.6680 8.2325 8.2325 8.2325 8.2325 8.6604 8.6604 8.6604 8.6604 9.3762 9.3762 9.4135 9.4135 9.4135 9.4135 k = 0.4828-0.3414 0.6124 ( 7712 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.6921 -5.6921 -5.5196 -5.5196 -5.4897 -5.4851 -5.4819 -5.4776 -5.3262 -5.3260 -5.3259 -5.3257 -5.2357 -5.2357 -5.1354 -5.1326 -5.1298 -5.1147 -5.1126 -5.1098 -3.2461 -3.2461 -3.1656 -3.1651 -3.1646 -3.1640 -3.1508 -3.1508 -3.1158 -3.1157 -3.1156 -3.1155 -3.0529 -3.0508 -3.0492 -3.0471 -3.0118 -3.0118 0.2158 0.2160 0.2160 0.2162 2.1959 2.1959 3.1001 3.1011 3.1013 3.1018 3.1588 3.1589 3.6109 3.6110 4.2854 4.2856 4.5409 4.5413 4.5439 4.5439 5.4028 5.4029 5.4241 5.4302 5.4331 5.4355 5.5993 5.5998 5.6002 5.6010 7.6693 7.6694 8.2252 8.2316 8.2362 8.2417 8.6587 8.6603 8.6605 8.6621 9.3764 9.3765 9.4118 9.4137 9.4152 9.4180 k = 0.4655-0.3292 0.6124 ( 7712 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.6931 -5.6931 -5.5195 -5.5194 -5.4961 -5.4866 -5.4802 -5.4721 -5.3263 -5.3259 -5.3258 -5.3253 -5.2361 -5.2359 -5.1479 -5.1422 -5.1370 -5.1071 -5.1023 -5.0973 -3.2458 -3.2457 -3.1663 -3.1652 -3.1644 -3.1629 -3.1511 -3.1511 -3.1159 -3.1157 -3.1152 -3.1150 -3.0559 -3.0517 -3.0486 -3.0442 -3.0117 -3.0117 0.2196 0.2200 0.2200 0.2204 2.1962 2.1962 3.0993 3.1012 3.1034 3.1042 3.1605 3.1610 3.5923 3.5928 4.2881 4.2895 4.5368 4.5376 4.5479 4.5487 5.3964 5.3971 5.4105 5.4261 5.4312 5.4329 5.5983 5.5994 5.6021 5.6033 7.6730 7.6736 8.2202 8.2334 8.2434 8.2524 8.6557 8.6590 8.6624 8.6654 9.3767 9.3780 9.4128 9.4161 9.4181 9.4255 k = 0.4483-0.3170 0.6124 ( 7730 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.6948 -5.6947 -5.5194 -5.5191 -5.5027 -5.4879 -5.4786 -5.4671 -5.3263 -5.3257 -5.3257 -5.3246 -5.2369 -5.2363 -5.1600 -5.1515 -5.1440 -5.0993 -5.0919 -5.0850 -3.2453 -3.2452 -3.1668 -3.1652 -3.1643 -3.1616 -3.1517 -3.1515 -3.1160 -3.1157 -3.1146 -3.1142 -3.0588 -3.0527 -3.0480 -3.0415 -3.0116 -3.0115 0.2260 0.2266 0.2268 0.2274 2.1967 2.1968 3.0982 3.1006 3.1069 3.1075 3.1631 3.1647 3.5631 3.5646 4.2905 4.2951 4.5301 4.5314 4.5543 4.5572 5.3835 5.3867 5.3941 5.4207 5.4252 5.4269 5.5975 5.5991 5.6051 5.6058 7.6789 7.6807 8.2174 8.2375 8.2543 8.2643 8.6511 8.6560 8.6663 8.6705 9.3771 9.3812 9.4160 9.4208 9.4215 9.4358 k = 0.4310-0.3048 0.6124 ( 7726 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.6972 -5.6969 -5.5194 -5.5188 -5.5094 -5.4889 -5.4769 -5.4624 -5.3263 -5.3256 -5.3254 -5.3237 -5.2385 -5.2368 -5.1712 -5.1604 -5.1507 -5.0916 -5.0815 -5.0731 -3.2445 -3.2445 -3.1671 -3.1650 -3.1642 -3.1601 -3.1524 -3.1519 -3.1162 -3.1157 -3.1139 -3.1130 -3.0618 -3.0537 -3.0476 -3.0388 -3.0115 -3.0111 0.2350 0.2357 0.2363 0.2371 2.1973 2.1975 3.0961 3.0986 3.1114 3.1116 3.1668 3.1705 3.5262 3.5294 4.2911 4.3007 4.5207 4.5225 4.5627 4.5693 5.3623 5.3713 5.3770 5.4131 5.4146 5.4206 5.5975 5.5992 5.6082 5.6086 7.6869 7.6909 8.2163 8.2442 8.2681 8.2777 8.6449 8.6511 8.6726 8.6774 9.3776 9.3865 9.4213 9.4250 9.4273 9.4486 k = 0.4138-0.2926 0.6124 ( 7724 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7001 -5.6996 -5.5198 -5.5185 -5.5163 -5.4895 -5.4753 -5.4584 -5.3263 -5.3256 -5.3250 -5.3225 -5.2411 -5.2373 -5.1809 -5.1688 -5.1571 -5.0839 -5.0711 -5.0617 -3.2437 -3.2435 -3.1674 -3.1646 -3.1642 -3.1585 -3.1532 -3.1522 -3.1163 -3.1158 -3.1132 -3.1116 -3.0647 -3.0548 -3.0472 -3.0363 -3.0113 -3.0106 0.2465 0.2474 0.2484 0.2494 2.1980 2.1982 3.0924 3.0941 3.1156 3.1168 3.1717 3.1785 3.4849 3.4903 4.2887 4.3049 4.5086 4.5111 4.5730 4.5845 5.3351 5.3504 5.3574 5.3966 5.4077 5.4130 5.5988 5.5998 5.6103 5.6119 7.6967 7.7038 8.2164 8.2540 8.2808 8.2961 8.6370 8.6440 8.6816 8.6865 9.3779 9.3941 9.4280 9.4280 9.4359 9.4636 k = 0.3966-0.2804 0.6124 ( 7728 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7036 -5.7027 -5.5233 -5.5204 -5.5183 -5.4896 -5.4738 -5.4549 -5.3262 -5.3255 -5.3245 -5.3211 -5.2453 -5.2380 -5.1886 -5.1767 -5.1631 -5.0763 -5.0608 -5.0508 -3.2426 -3.2424 -3.1676 -3.1644 -3.1641 -3.1569 -3.1541 -3.1524 -3.1165 -3.1160 -3.1125 -3.1099 -3.0676 -3.0559 -3.0469 -3.0339 -3.0112 -3.0100 0.2605 0.2616 0.2630 0.2643 2.1985 2.1989 3.0851 3.0852 3.1199 3.1217 3.1783 3.1888 3.4432 3.4511 4.2828 4.3064 4.4938 4.4971 4.5848 4.6020 5.3038 5.3244 5.3341 5.3758 5.4002 5.4048 5.6001 5.6014 5.6128 5.6147 7.7082 7.7191 8.2171 8.2677 8.2898 8.3216 8.6273 8.6343 8.6937 8.6980 9.3779 9.4036 9.4305 9.4352 9.4465 9.4804 k = 0.3793-0.2682 0.6124 ( 7734 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7075 -5.7062 -5.5302 -5.5217 -5.5182 -5.4893 -5.4725 -5.4520 -5.3260 -5.3256 -5.3240 -5.3194 -5.2512 -5.2387 -5.1938 -5.1841 -5.1686 -5.0687 -5.0507 -5.0406 -3.2414 -3.2410 -3.1677 -3.1647 -3.1634 -3.1553 -3.1551 -3.1522 -3.1167 -3.1161 -3.1120 -3.1081 -3.0704 -3.0571 -3.0467 -3.0316 -3.0111 -3.0093 0.2770 0.2783 0.2801 0.2816 2.1986 2.1994 3.0699 3.0717 3.1242 3.1255 3.1875 3.2012 3.4056 3.4159 4.2732 4.3044 4.4761 4.4806 4.5978 4.6208 5.2690 5.2938 5.3077 5.3511 5.3922 5.3962 5.5987 5.6044 5.6167 5.6176 7.7212 7.7362 8.2179 8.2857 8.2958 8.3530 8.6158 8.6217 8.7091 8.7123 9.3774 9.4132 9.4339 9.4422 9.4594 9.4981 k = 0.3621-0.2560 0.6124 ( 7732 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7119 -5.7100 -5.5371 -5.5234 -5.5182 -5.4884 -5.4714 -5.4497 -5.3259 -5.3257 -5.3234 -5.3174 -5.2587 -5.2396 -5.1965 -5.1909 -5.1737 -5.0613 -5.0409 -5.0311 -3.2400 -3.2395 -3.1677 -3.1650 -3.1624 -3.1561 -3.1542 -3.1512 -3.1168 -3.1163 -3.1115 -3.1061 -3.0731 -3.0582 -3.0466 -3.0296 -3.0110 -3.0085 0.2960 0.2974 0.2995 0.3012 2.1982 2.1993 3.0457 3.0486 3.1281 3.1285 3.1997 3.2151 3.3763 3.3888 4.2603 4.2984 4.4558 4.4616 4.6115 4.6400 5.2311 5.2592 5.2788 5.3232 5.3837 5.3871 5.5949 5.6054 5.6222 5.6224 7.7354 7.7545 8.2185 8.2986 8.3087 8.3897 8.6025 8.6062 8.7279 8.7298 9.3762 9.4188 9.4416 9.4486 9.4741 9.5163 k = 0.3448-0.2438 0.6124 ( 7734 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7165 -5.7141 -5.5439 -5.5255 -5.5185 -5.4871 -5.4707 -5.4481 -5.3259 -5.3257 -5.3229 -5.3153 -5.2671 -5.2404 -5.1972 -5.1971 -5.1783 -5.0541 -5.0314 -5.0223 -3.2384 -3.2378 -3.1676 -3.1653 -3.1614 -3.1571 -3.1538 -3.1494 -3.1170 -3.1166 -3.1113 -3.1040 -3.0758 -3.0594 -3.0465 -3.0276 -3.0110 -3.0076 0.3173 0.3189 0.3211 0.3231 2.1968 2.1983 3.0119 3.0142 3.1301 3.1328 3.2151 3.2299 3.3580 3.3726 4.2441 4.2882 4.4327 4.4402 4.6254 4.6588 5.1904 5.2210 5.2484 5.2932 5.3747 5.3776 5.5885 5.6032 5.6294 5.6298 7.7505 7.7730 8.2188 8.2983 8.3369 8.4315 8.5876 8.5877 8.7499 8.7507 9.3743 9.4192 9.4541 9.4545 9.4905 9.5340 k = 0.3276-0.2316 0.6124 ( 7746 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7215 -5.7183 -5.5506 -5.5278 -5.5190 -5.4855 -5.4706 -5.4470 -5.3263 -5.3255 -5.3223 -5.3131 -5.2758 -5.2413 -5.2029 -5.1963 -5.1821 -5.0471 -5.0222 -5.0143 -3.2368 -3.2360 -3.1674 -3.1656 -3.1602 -3.1579 -3.1535 -3.1472 -3.1172 -3.1169 -3.1112 -3.1019 -3.0783 -3.0605 -3.0466 -3.0259 -3.0110 -3.0068 0.3410 0.3428 0.3447 0.3470 2.1939 2.1959 2.9694 2.9698 3.1321 3.1373 3.2334 3.2449 3.3503 3.3679 4.2250 4.2738 4.4070 4.4165 4.6392 4.6769 5.1471 5.1798 5.2174 5.2620 5.3653 5.3677 5.5798 5.5979 5.6384 5.6386 7.7661 7.7911 8.2187 8.2950 8.3704 8.4776 8.5664 8.5715 8.7750 8.7754 9.3717 9.4169 9.4584 9.4695 9.5079 9.5510 k = 0.3103-0.2194 0.6124 ( 7730 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7266 -5.7228 -5.5571 -5.5304 -5.5197 -5.4837 -5.4711 -5.4465 -5.3268 -5.3252 -5.3217 -5.3109 -5.2841 -5.2422 -5.2081 -5.1950 -5.1846 -5.0403 -5.0134 -5.0071 -3.2350 -3.2340 -3.1672 -3.1657 -3.1594 -3.1581 -3.1533 -3.1449 -3.1174 -3.1172 -3.1113 -3.0997 -3.0808 -3.0615 -3.0467 -3.0244 -3.0111 -3.0059 0.3669 0.3688 0.3702 0.3727 2.1890 2.1914 2.9187 2.9210 3.1342 3.1418 3.2540 3.2599 3.3513 3.3737 4.2029 4.2550 4.3790 4.3907 4.6526 4.6939 5.1015 5.1362 5.1867 5.2306 5.3556 5.3575 5.5686 5.5898 5.6480 5.6490 7.7818 7.8081 8.2180 8.2891 8.4089 8.5248 8.5427 8.5570 8.8029 8.8042 9.3687 9.4134 9.4618 9.4846 9.5261 9.5670 k = 0.2931-0.2073 0.6124 ( 7730 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7318 -5.7273 -5.5633 -5.5330 -5.5207 -5.4819 -5.4723 -5.4466 -5.3276 -5.3251 -5.3212 -5.3086 -5.2915 -5.2431 -5.2127 -5.1949 -5.1842 -5.0337 -5.0051 -5.0006 -3.2330 -3.2320 -3.1670 -3.1656 -3.1598 -3.1569 -3.1532 -3.1426 -3.1176 -3.1175 -3.1116 -3.0975 -3.0831 -3.0624 -3.0469 -3.0231 -3.0112 -3.0051 0.3949 0.3970 0.3976 0.4002 2.1811 2.1840 2.8648 2.8698 3.1366 3.1465 3.2747 3.2766 3.3588 3.3879 4.1779 4.2321 4.3490 4.3631 4.6652 4.7094 5.0543 5.0908 5.1572 5.1996 5.3456 5.3471 5.5552 5.5789 5.6584 5.6602 7.7973 7.8236 8.2169 8.2809 8.4520 8.5169 8.5294 8.5874 8.8330 8.8372 9.3654 9.4095 9.4646 9.4987 9.5447 9.5821 k = 0.2759-0.1951 0.6124 ( 7738 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7371 -5.7320 -5.5692 -5.5356 -5.5219 -5.4800 -5.4744 -5.4471 -5.3287 -5.3249 -5.3206 -5.3064 -5.2979 -5.2439 -5.2169 -5.1966 -5.1806 -5.0275 -4.9972 -4.9950 -3.2310 -3.2299 -3.1668 -3.1653 -3.1602 -3.1552 -3.1531 -3.1403 -3.1179 -3.1178 -3.1121 -3.0955 -3.0852 -3.0632 -3.0471 -3.0221 -3.0114 -3.0043 0.4243 0.4267 0.4270 0.4297 2.1693 2.1726 2.8114 2.8189 3.1392 3.1511 3.2898 3.3008 3.3712 3.4084 4.1500 4.2051 4.3175 4.3340 4.6768 4.7231 5.0060 5.0443 5.1293 5.1699 5.3354 5.3365 5.5394 5.5653 5.6693 5.6719 7.8121 7.8373 8.2151 8.2708 8.4892 8.4990 8.5102 8.6432 8.8650 8.8743 9.3618 9.4053 9.4677 9.5114 9.5632 9.5968 k = 0.2586-0.1829 0.6124 ( 7738 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7424 -5.7367 -5.5747 -5.5381 -5.5234 -5.4782 -5.4774 -5.4480 -5.3300 -5.3249 -5.3201 -5.3043 -5.3028 -5.2446 -5.2207 -5.1988 -5.1752 -5.0215 -4.9903 -4.9899 -3.2290 -3.2277 -3.1667 -3.1648 -3.1604 -3.1535 -3.1531 -3.1380 -3.1183 -3.1180 -3.1126 -3.0938 -3.0869 -3.0638 -3.0474 -3.0212 -3.0116 -3.0037 0.4543 0.4571 0.4590 0.4617 2.1524 2.1559 2.7613 2.7709 3.1419 3.1558 3.3056 3.3262 3.3875 3.4336 4.1194 4.1743 4.2849 4.3035 4.6866 4.7342 4.9578 4.9977 5.1036 5.1418 5.3251 5.3258 5.5214 5.5492 5.6806 5.6839 7.8260 7.8492 8.2129 8.2591 8.4608 8.4891 8.5482 8.7022 8.8982 8.9154 9.3582 9.4013 9.4722 9.5229 9.5816 9.6117 k = 0.2414-0.1707 0.6124 ( 7736 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7476 -5.7413 -5.5798 -5.5405 -5.5252 -5.4812 -5.4764 -5.4493 -5.3316 -5.3249 -5.3196 -5.3064 -5.3023 -5.2453 -5.2240 -5.2011 -5.1686 -5.0160 -4.9862 -4.9831 -3.2268 -3.2256 -3.1669 -3.1641 -3.1602 -3.1531 -3.1517 -3.1359 -3.1187 -3.1182 -3.1133 -3.0931 -3.0876 -3.0641 -3.0478 -3.0206 -3.0118 -3.0032 0.4849 0.4879 0.4933 0.4961 2.1293 2.1327 2.7169 2.7280 3.1448 3.1605 3.3223 3.3525 3.4072 3.4622 4.0860 4.1401 4.2517 4.2718 4.6939 4.7409 4.9123 4.9526 5.0803 5.1159 5.3146 5.3152 5.5014 5.5306 5.6921 5.6961 7.8385 7.8591 8.2103 8.2463 8.4316 8.4673 8.5993 8.7623 8.9320 8.9597 9.3547 9.3976 9.4793 9.5341 9.5996 9.6269 k = 0.2241-0.1585 0.6124 ( 7754 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7526 -5.7460 -5.5843 -5.5426 -5.5274 -5.4857 -5.4748 -5.4508 -5.3333 -5.3251 -5.3191 -5.3089 -5.3003 -5.2459 -5.2268 -5.2033 -5.1611 -5.0109 -4.9829 -4.9769 -3.2246 -3.2234 -3.1672 -3.1631 -3.1596 -3.1533 -3.1499 -3.1339 -3.1191 -3.1185 -3.1139 -3.0939 -3.0867 -3.0642 -3.0483 -3.0202 -3.0121 -3.0029 0.5159 0.5191 0.5296 0.5325 2.0994 2.1023 2.6797 2.6916 3.1478 3.1651 3.3400 3.3791 3.4300 3.4933 4.0502 4.1031 4.2185 4.2392 4.6968 4.7385 4.8745 4.9112 5.0594 5.0923 5.3042 5.3046 5.4794 5.5097 5.7036 5.7081 7.8494 7.8671 8.2073 8.2327 8.4021 8.4452 8.6513 8.8227 8.9655 9.0058 9.3517 9.3947 9.4901 9.5463 9.6170 9.6425 k = 0.2069-0.1463 0.6124 ( 7758 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7575 -5.7506 -5.5884 -5.5445 -5.5299 -5.4909 -5.4733 -5.4525 -5.3347 -5.3254 -5.3186 -5.3104 -5.2984 -5.2464 -5.2293 -5.2052 -5.1529 -5.0065 -4.9802 -4.9713 -3.2224 -3.2214 -3.1677 -3.1619 -3.1587 -3.1535 -3.1480 -3.1322 -3.1195 -3.1189 -3.1145 -3.0955 -3.0850 -3.0639 -3.0488 -3.0201 -3.0125 -3.0028 0.5470 0.5503 0.5677 0.5708 2.0623 2.0644 2.6505 2.6627 3.1507 3.1696 3.3589 3.4059 3.4556 3.5262 4.0126 4.0641 4.1854 4.2057 4.6920 4.7199 4.8523 4.8773 5.0412 5.0712 5.2940 5.2942 5.4559 5.4868 5.7150 5.7200 7.8586 7.8732 8.2040 8.2187 8.3729 8.4231 8.7036 8.8822 8.9979 9.0515 9.3500 9.3938 9.5053 9.5608 9.6339 9.6584 k = 0.1897-0.1341 0.6124 ( 7762 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7621 -5.7551 -5.5918 -5.5462 -5.5329 -5.4964 -5.4720 -5.4543 -5.3359 -5.3259 -5.3181 -5.3114 -5.2966 -5.2471 -5.2312 -5.2071 -5.1442 -5.0029 -4.9778 -4.9664 -3.2202 -3.2194 -3.1681 -3.1606 -3.1576 -3.1538 -3.1462 -3.1307 -3.1199 -3.1194 -3.1149 -3.0973 -3.0830 -3.0633 -3.0494 -3.0202 -3.0128 -3.0029 0.5780 0.5813 0.6075 0.6107 2.0186 2.0196 2.6292 2.6410 3.1538 3.1739 3.3790 3.4327 3.4835 3.5606 3.9738 4.0237 4.1528 4.1716 4.6758 4.6842 4.8469 4.8551 5.0254 5.0524 5.2839 5.2842 5.4310 5.4621 5.7262 5.7314 7.8659 7.8776 8.2004 8.2046 8.3447 8.4013 8.7558 8.9396 9.0284 9.0938 9.3503 9.3967 9.5251 9.5783 9.6500 9.6749 k = 0.1724-0.1219 0.6124 ( 7774 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7665 -5.7595 -5.5947 -5.5475 -5.5363 -5.5021 -5.4708 -5.4561 -5.3368 -5.3265 -5.3177 -5.3119 -5.2947 -5.2480 -5.2325 -5.2088 -5.1349 -5.0003 -4.9755 -4.9620 -3.2181 -3.2174 -3.1686 -3.1592 -3.1564 -3.1541 -3.1444 -3.1296 -3.1202 -3.1201 -3.1151 -3.0992 -3.0809 -3.0623 -3.0502 -3.0206 -3.0130 -3.0031 0.6083 0.6117 0.6487 0.6521 1.9690 1.9693 2.6147 2.6260 3.1568 3.1779 3.4002 3.4596 3.5132 3.5958 3.9346 3.9830 4.1206 4.1371 4.6389 4.6473 4.8458 4.8514 5.0120 5.0361 5.2741 5.2745 5.4051 5.4360 5.7370 5.7423 7.8713 7.8804 8.1907 8.1964 8.3179 8.3800 8.8078 8.9924 9.0583 9.1285 9.3535 9.4062 9.5492 9.5989 9.6656 9.6921 k = 0.1552-0.1097 0.6124 ( 7778 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7705 -5.7637 -5.5968 -5.5486 -5.5402 -5.5077 -5.4698 -5.4578 -5.3373 -5.3272 -5.3172 -5.3122 -5.2927 -5.2493 -5.2331 -5.2104 -5.1254 -4.9990 -4.9732 -4.9582 -3.2160 -3.2157 -3.1690 -3.1580 -3.1550 -3.1544 -3.1426 -3.1288 -3.1209 -3.1204 -3.1152 -3.1010 -3.0788 -3.0610 -3.0509 -3.0212 -3.0133 -3.0036 0.6377 0.6410 0.6911 0.6947 1.9144 1.9158 2.6060 2.6163 3.1598 3.1816 3.4225 3.4867 3.5439 3.6313 3.8960 3.9427 4.0891 4.1024 4.5899 4.6100 4.8464 4.8605 5.0010 5.0220 5.2646 5.2654 5.3787 5.4089 5.7473 5.7526 7.8750 7.8818 8.1774 8.1920 8.2934 8.3596 8.8593 9.0338 9.0930 9.1525 9.3597 9.4244 9.5767 9.6216 9.6807 9.7109 k = 0.1379-0.0975 0.6124 ( 7772 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7741 -5.7676 -5.5983 -5.5492 -5.5447 -5.5130 -5.4690 -5.4593 -5.3375 -5.3279 -5.3167 -5.3124 -5.2907 -5.2509 -5.2332 -5.2119 -5.1155 -4.9991 -4.9706 -4.9551 -3.2140 -3.2140 -3.1692 -3.1572 -3.1542 -3.1535 -3.1410 -3.1284 -3.1218 -3.1206 -3.1151 -3.1028 -3.0767 -3.0594 -3.0518 -3.0221 -3.0135 -3.0042 0.6657 0.6688 0.7344 0.7382 1.8572 1.8597 2.6016 2.6109 3.1628 3.1848 3.4459 3.5142 3.5747 3.6666 3.8590 3.9036 4.0583 4.0682 4.5401 4.5680 4.8530 4.8715 4.9922 5.0101 5.2555 5.2568 5.3521 5.3812 5.7569 5.7621 7.8771 7.8820 8.1648 8.1865 8.2718 8.3403 8.9102 9.0582 9.1386 9.1653 9.3683 9.4507 9.6063 9.6449 9.6954 9.7325 k = 0.1207-0.0853 0.6124 ( 7756 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7773 -5.7713 -5.5991 -5.5497 -5.5495 -5.5180 -5.4683 -5.4607 -5.3375 -5.3287 -5.3162 -5.3124 -5.2886 -5.2529 -5.2327 -5.2134 -5.1056 -5.0007 -4.9677 -4.9525 -3.2124 -3.2122 -3.1694 -3.1575 -3.1531 -3.1520 -3.1395 -3.1282 -3.1226 -3.1207 -3.1149 -3.1046 -3.0746 -3.0574 -3.0528 -3.0232 -3.0136 -3.0050 0.6918 0.6947 0.7783 0.7822 1.7991 1.8024 2.6003 2.6086 3.1659 3.1875 3.4703 3.5422 3.6047 3.7006 3.8245 3.8667 4.0286 4.0350 4.4912 4.5242 4.8631 4.8833 4.9857 5.0002 5.2469 5.2490 5.3261 5.3535 5.7658 5.7707 7.8779 7.8812 8.1533 8.1797 8.2542 8.3221 8.9600 9.0707 9.1698 9.1904 9.3775 9.4815 9.6366 9.6667 9.7103 9.7576 k = 0.1034-0.0731 0.6124 ( 7750 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.7800 -5.7746 -5.5992 -5.5550 -5.5495 -5.5225 -5.4677 -5.4619 -5.3373 -5.3295 -5.3157 -5.3125 -5.2863 -5.2551 -5.2319 -5.2148 -5.0956 -5.0035 -4.9648 -4.9506 -3.2110 -3.2106 -3.1693 -3.1582 -3.1518 -3.1506 -3.1381 -3.1283 -3.1234 -3.1209 -3.1146 -3.1062 -3.0725 -3.0551 -3.0538 -3.0246 -3.0136 -3.0059 0.7156 0.7182 0.8220 0.8260 1.7416 1.7455 2.6011 2.6083 3.1689 3.1896 3.4957 3.5706 3.6323 3.7320 3.7935 3.8328 4.0007 4.0040 4.4443 4.4804 4.8750 4.8950 4.9814 4.9924 5.2385 5.2418 5.3013 5.3262 5.7738 5.7782 7.8776 7.8799 8.1432 8.1711 8.2412 8.3053 9.0073 9.0772 9.1701 9.2440 9.3853 9.5118 9.6656 9.6862 9.7261 9.7863 k = 0.0862-0.0610 0.6124 ( 7750 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.7823 -5.7776 -5.5986 -5.5605 -5.5491 -5.5266 -5.4672 -5.4630 -5.3370 -5.3304 -5.3152 -5.3125 -5.2839 -5.2575 -5.2307 -5.2162 -5.0856 -5.0074 -4.9618 -4.9493 -3.2097 -3.2092 -3.1691 -3.1592 -3.1504 -3.1492 -3.1369 -3.1286 -3.1240 -3.1212 -3.1143 -3.1076 -3.0705 -3.0549 -3.0527 -3.0263 -3.0136 -3.0069 0.7366 0.7390 0.8649 0.8689 1.6863 1.6905 2.6032 2.6092 3.1720 3.1910 3.5219 3.5993 3.6556 3.7554 3.7701 3.8025 3.9758 3.9768 4.4008 4.4378 4.8875 4.9057 4.9794 4.9865 5.2303 5.2354 5.2789 5.3000 5.7808 5.7847 7.8767 7.8782 8.1345 8.1610 8.2330 8.2900 9.0493 9.0806 9.1718 9.2976 9.3894 9.5374 9.6910 9.7031 9.7441 9.8165 k = 0.0690-0.0488 0.6124 ( 7744 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7841 -5.7803 -5.5973 -5.5661 -5.5483 -5.5303 -5.4669 -5.4638 -5.3366 -5.3312 -5.3148 -5.3126 -5.2814 -5.2601 -5.2294 -5.2176 -5.0759 -5.0123 -4.9590 -4.9485 -3.2086 -3.2080 -3.1687 -3.1603 -3.1491 -3.1479 -3.1358 -3.1291 -3.1244 -3.1217 -3.1138 -3.1088 -3.0685 -3.0561 -3.0500 -3.0283 -3.0134 -3.0079 0.7546 0.7565 0.9057 0.9094 1.6350 1.6391 2.6058 2.6107 3.1752 3.1916 3.5486 3.6283 3.6721 3.7421 3.7768 3.7806 3.9553 3.9562 4.3619 4.3977 4.8998 4.9146 4.9798 4.9828 5.2217 5.2296 5.2603 5.2759 5.7868 5.7901 7.8755 7.8764 8.1277 8.1505 8.2287 8.2762 9.0799 9.0824 9.1823 9.3494 9.3887 9.5553 9.7109 9.7180 9.7654 9.8451 k = 0.0517-0.0366 0.6124 ( 7758 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.7854 -5.7825 -5.5954 -5.5715 -5.5472 -5.5337 -5.4666 -5.4645 -5.3361 -5.3320 -5.3144 -5.3127 -5.2789 -5.2627 -5.2280 -5.2191 -5.0663 -5.0181 -4.9564 -4.9482 -3.2077 -3.2071 -3.1680 -3.1615 -3.1479 -3.1469 -3.1348 -3.1297 -3.1247 -3.1223 -3.1134 -3.1098 -3.0667 -3.0574 -3.0471 -3.0305 -3.0131 -3.0089 0.7690 0.7705 0.9425 0.9458 1.5899 1.5936 2.6086 2.6123 3.1783 3.1915 3.5755 3.6569 3.6794 3.7258 3.7557 3.7878 3.9416 3.9445 4.3297 4.3614 4.9105 4.9210 4.9813 4.9820 5.2127 5.2237 5.2467 5.2555 5.7917 5.7942 7.8742 7.8747 8.1228 8.1406 8.2276 8.2640 9.0838 9.0939 9.2071 9.3763 9.4039 9.5633 9.7254 9.7304 9.7895 9.8675 k = 0.0345-0.0244 0.6124 ( 7760 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7862 -5.7842 -5.5928 -5.5767 -5.5458 -5.5368 -5.4663 -5.4650 -5.3356 -5.3328 -5.3140 -5.3129 -5.2762 -5.2654 -5.2266 -5.2205 -5.0570 -5.0246 -4.9541 -4.9485 -3.2070 -3.2065 -3.1672 -3.1627 -3.1470 -3.1462 -3.1339 -3.1303 -3.1247 -3.1229 -3.1129 -3.1106 -3.0649 -3.0587 -3.0442 -3.0329 -3.0127 -3.0098 0.7796 0.7807 0.9728 0.9754 1.5540 1.5569 2.6110 2.6135 3.1813 3.1906 3.6020 3.6745 3.6878 3.7152 3.7385 3.7817 3.9364 3.9406 4.3064 4.3307 4.9188 4.9250 4.9820 4.9847 5.2048 5.2165 5.2383 5.2411 5.7953 5.7970 7.8731 7.8733 8.1201 8.1322 8.2289 8.2535 9.0855 9.0963 9.2415 9.3624 9.4490 9.5607 9.7356 9.7395 9.8145 9.8785 k = 0.0172-0.0122 0.6124 ( 7762 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7865 -5.7855 -5.5896 -5.5815 -5.5440 -5.5395 -5.4661 -5.4654 -5.3350 -5.3336 -5.3137 -5.3131 -5.2735 -5.2681 -5.2250 -5.2220 -5.0482 -5.0319 -4.9521 -4.9492 -3.2065 -3.2063 -3.1663 -3.1639 -3.1463 -3.1459 -3.1329 -3.1311 -3.1245 -3.1236 -3.1124 -3.1113 -3.0632 -3.0601 -3.0413 -3.0356 -3.0122 -3.0107 0.7862 0.7867 0.9934 0.9948 1.5307 1.5323 2.6128 2.6140 3.1842 3.1890 3.6269 3.6650 3.7111 3.7132 3.7260 3.7651 3.9371 3.9404 4.2943 4.3076 4.9240 4.9268 4.9841 4.9864 5.2005 5.2079 5.2338 5.2342 5.7977 5.7985 7.8723 7.8724 8.1196 8.1257 8.2323 8.2447 9.0879 9.0942 9.2776 9.3400 9.4898 9.5472 9.7423 9.7446 9.8387 9.8752 k = 0.0000 0.0000 0.6124 ( 7750 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.7862 -5.7862 -5.5858 -5.5858 -5.5419 -5.5419 -5.4658 -5.4658 -5.3343 -5.3343 -5.3134 -5.3134 -5.2708 -5.2708 -5.2235 -5.2235 -5.0397 -5.0397 -4.9504 -4.9504 -3.2063 -3.2063 -3.1651 -3.1651 -3.1459 -3.1459 -3.1320 -3.1320 -3.1241 -3.1241 -3.1119 -3.1119 -3.0616 -3.0616 -3.0384 -3.0384 -3.0115 -3.0115 0.7886 0.7886 1.0012 1.0012 1.5231 1.5231 2.6138 2.6138 3.1868 3.1868 3.6485 3.6485 3.7136 3.7136 3.7425 3.7425 3.9394 3.9394 4.2948 4.2948 4.9265 4.9265 4.9861 4.9861 5.2016 5.2016 5.2323 5.2323 5.7988 5.7988 7.8721 7.8721 8.1215 8.1215 8.2376 8.2376 9.0909 9.0909 9.3112 9.3112 9.5232 9.5232 9.7454 9.7454 9.8602 9.8602 k = 0.0000 0.0000 0.6124 ( 7750 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.7862 -5.7862 -5.5858 -5.5858 -5.5419 -5.5419 -5.4658 -5.4658 -5.3343 -5.3343 -5.3134 -5.3134 -5.2708 -5.2708 -5.2235 -5.2235 -5.0397 -5.0397 -4.9504 -4.9504 -3.2063 -3.2063 -3.1651 -3.1651 -3.1459 -3.1459 -3.1320 -3.1320 -3.1241 -3.1241 -3.1119 -3.1119 -3.0616 -3.0616 -3.0384 -3.0384 -3.0115 -3.0115 0.7886 0.7886 1.0012 1.0012 1.5231 1.5231 2.6138 2.6138 3.1868 3.1868 3.6485 3.6485 3.7136 3.7136 3.7425 3.7425 3.9394 3.9394 4.2948 4.2948 4.9265 4.9265 4.9861 4.9861 5.2016 5.2016 5.2323 5.2323 5.7988 5.7988 7.8721 7.8721 8.1215 8.1215 8.2376 8.2376 9.0909 9.0909 9.3112 9.3112 9.5232 9.5232 9.7454 9.7454 9.8602 9.8602 k = 0.0000 0.0000 0.5913 ( 7758 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7893 -5.7853 -5.5924 -5.5786 -5.5433 -5.5407 -5.4747 -5.4570 -5.3352 -5.3335 -5.3156 -5.3112 -5.2711 -5.2710 -5.2317 -5.2137 -5.0450 -5.0344 -4.9566 -4.9440 -3.2065 -3.2061 -3.1663 -3.1646 -3.1462 -3.1462 -3.1324 -3.1305 -3.1245 -3.1235 -3.1127 -3.1108 -3.0636 -3.0596 -3.0387 -3.0380 -3.0120 -3.0109 0.7900 0.7900 1.0025 1.0027 1.5233 1.5237 2.6150 2.6159 3.1839 3.1891 3.6460 3.6505 3.7088 3.7146 3.7418 3.7444 3.9350 3.9480 4.2930 4.2951 4.9171 4.9228 4.9772 4.9809 5.2001 5.2096 5.2299 5.2354 5.7912 5.8002 7.8599 7.8894 8.1163 8.1293 8.2293 8.2441 9.0888 9.0920 9.2865 9.3354 9.4981 9.5558 9.7366 9.7463 9.8441 9.8836 k = 0.0000 0.0000 0.5701 ( 7756 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7944 -5.7867 -5.5981 -5.5710 -5.5448 -5.5398 -5.4835 -5.4484 -5.3361 -5.3327 -5.3177 -5.3090 -5.2725 -5.2716 -5.2372 -5.2027 -5.0501 -5.0289 -4.9623 -4.9373 -3.2067 -3.2059 -3.1678 -3.1650 -3.1472 -3.1464 -3.1318 -3.1284 -3.1243 -3.1227 -3.1133 -3.1095 -3.0655 -3.0576 -3.0391 -3.0375 -3.0124 -3.0102 0.7942 0.7943 1.0064 1.0067 1.5243 1.5251 2.6194 2.6212 3.1803 3.1906 3.6418 3.6527 3.7022 3.7115 3.7415 3.7478 3.9352 3.9595 4.2897 4.2940 4.8922 4.9057 4.9606 4.9642 5.1960 5.2121 5.2361 5.2459 5.7778 5.7956 7.8533 7.9111 8.1137 8.1395 8.2192 8.2493 9.0857 9.0916 9.2637 9.3572 9.4794 9.5958 9.7214 9.7393 9.8353 9.9131 k = 0.0000 0.0000 0.5490 ( 7742 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.8012 -5.7905 -5.6026 -5.5637 -5.5462 -5.5391 -5.4921 -5.4402 -5.3370 -5.3321 -5.3199 -5.3070 -5.2757 -5.2720 -5.2395 -5.1909 -5.0550 -5.0235 -4.9675 -4.9306 -3.2069 -3.2058 -3.1696 -3.1664 -3.1489 -3.1459 -3.1311 -3.1262 -3.1233 -3.1215 -3.1137 -3.1080 -3.0672 -3.0556 -3.0394 -3.0369 -3.0127 -3.0095 0.8013 0.8013 1.0130 1.0135 1.5262 1.5273 2.6271 2.6297 3.1764 3.1915 3.6341 3.6548 3.6966 3.7054 3.7408 3.7525 3.9400 3.9730 4.2848 4.2913 4.8525 4.8741 4.9419 4.9436 5.1820 5.1993 5.2549 5.2646 5.7587 5.7849 7.8529 7.9366 8.1137 8.1516 8.2080 8.2541 9.0818 9.0890 9.2447 9.3757 9.4656 9.6393 9.7018 9.7251 9.8349 9.9471 k = 0.0000 0.0000 0.5279 ( 7738 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.8096 -5.7967 -5.6060 -5.5573 -5.5469 -5.5386 -5.5005 -5.4325 -5.3379 -5.3316 -5.3220 -5.3053 -5.2804 -5.2723 -5.2384 -5.1786 -5.0596 -5.0180 -4.9720 -4.9239 -3.2072 -3.2057 -3.1715 -3.1685 -3.1507 -3.1449 -3.1307 -3.1244 -3.1214 -3.1197 -3.1137 -3.1063 -3.0689 -3.0536 -3.0397 -3.0363 -3.0128 -3.0087 0.8111 0.8112 1.0222 1.0228 1.5288 1.5303 2.6378 2.6414 3.1721 3.1917 3.6221 3.6553 3.6936 3.6979 3.7400 3.7585 3.9484 3.9874 4.2782 4.2873 4.8027 4.8306 4.9209 4.9215 5.1597 5.1788 5.2747 5.2857 5.7344 5.7684 7.8587 7.9652 8.1162 8.1647 8.1978 8.2599 9.0767 9.0835 9.2307 9.3909 9.4555 9.6711 9.6857 9.7048 9.8480 9.9835 k = 0.0000 0.0000 0.5068 ( 7738 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.8192 -5.8051 -5.6081 -5.5547 -5.5444 -5.5383 -5.5085 -5.4255 -5.3388 -5.3314 -5.3240 -5.3042 -5.2854 -5.2725 -5.2348 -5.1660 -5.0637 -5.0126 -4.9760 -4.9174 -3.2075 -3.2057 -3.1735 -3.1711 -3.1523 -3.1434 -3.1307 -3.1230 -3.1192 -3.1173 -3.1131 -3.1045 -3.0704 -3.0516 -3.0400 -3.0356 -3.0129 -3.0079 0.8237 0.8238 1.0340 1.0348 1.5322 1.5340 2.6516 2.6563 3.1679 3.1916 3.6063 3.6514 3.6923 3.6929 3.7400 3.7661 3.9594 4.0020 4.2698 4.2817 4.7467 4.7795 4.8965 4.8969 5.1304 5.1521 5.2922 5.3052 5.7053 5.7464 7.8710 7.9960 8.1211 8.1730 8.1951 8.2682 9.0703 9.0745 9.2218 9.4035 9.4484 9.6472 9.6792 9.7078 9.8792 10.0205 k = 0.0000 0.0000 0.4857 ( 7760 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.8298 -5.8153 -5.6092 -5.5558 -5.5389 -5.5382 -5.5161 -5.4194 -5.3396 -5.3315 -5.3260 -5.3046 -5.2891 -5.2726 -5.2295 -5.1532 -5.0672 -5.0073 -4.9793 -4.9112 -3.2078 -3.2057 -3.1757 -3.1740 -3.1537 -3.1418 -3.1310 -3.1219 -3.1175 -3.1147 -3.1114 -3.1026 -3.0717 -3.0497 -3.0404 -3.0348 -3.0129 -3.0070 0.8389 0.8390 1.0483 1.0494 1.5363 1.5384 2.6684 2.6743 3.1639 3.1912 3.5882 3.6407 3.6908 3.6933 3.7416 3.7751 3.9719 4.0162 4.2595 4.2747 4.6869 4.7239 4.8681 4.8687 5.0949 5.1195 5.3060 5.3212 5.6722 5.7194 7.8897 8.0280 8.1285 8.1694 8.2081 8.2801 9.0619 9.0624 9.2173 9.4140 9.4436 9.6137 9.6494 9.7213 9.9214 10.0567 k = 0.0000 0.0000 0.4646 ( 7748 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.8414 -5.8271 -5.6093 -5.5580 -5.5384 -5.5330 -5.5232 -5.4143 -5.3404 -5.3317 -5.3279 -5.3074 -5.2903 -5.2726 -5.2226 -5.1403 -5.0700 -5.0020 -4.9819 -4.9053 -3.2082 -3.2058 -3.1779 -3.1769 -3.1547 -3.1402 -3.1312 -3.1209 -3.1166 -3.1118 -3.1086 -3.1006 -3.0728 -3.0478 -3.0407 -3.0339 -3.0128 -3.0062 0.8567 0.8569 1.0652 1.0664 1.5411 1.5435 2.6880 2.6952 3.1603 3.1909 3.5687 3.6249 3.6917 3.6939 3.7455 3.7857 3.9849 4.0296 4.2473 4.2662 4.6249 4.6654 4.8355 4.8366 5.0537 5.0815 5.3157 5.3331 5.6357 5.6881 7.9144 8.0600 8.1390 8.1643 8.2276 8.2969 9.0460 9.0527 9.2160 9.4230 9.4403 9.5749 9.6165 9.7287 9.9576 10.0905 k = 0.0000 0.0000 0.4434 ( 7744 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.8537 -5.8401 -5.6087 -5.5605 -5.5390 -5.5295 -5.5274 -5.4102 -5.3411 -5.3322 -5.3298 -5.3119 -5.2895 -5.2725 -5.2147 -5.1274 -5.0720 -4.9968 -4.9839 -4.9000 -3.2085 -3.2059 -3.1802 -3.1800 -3.1552 -3.1385 -3.1314 -3.1198 -3.1161 -3.1090 -3.1052 -3.0985 -3.0737 -3.0460 -3.0411 -3.0329 -3.0125 -3.0053 0.8770 0.8773 1.0845 1.0860 1.5465 1.5492 2.7103 2.7190 3.1574 3.1907 3.5487 3.6064 3.6923 3.6942 3.7522 3.7976 3.9976 4.0418 4.2330 4.2560 4.5617 4.6054 4.7987 4.8005 5.0075 5.0383 5.3212 5.3405 5.5966 5.6532 7.9444 8.0903 8.1535 8.1621 8.2498 8.3188 9.0271 9.0411 9.2167 9.4308 9.4369 9.5312 9.5826 9.7344 9.9792 10.1209 k = 0.0000 0.0000 0.4223 ( 7754 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.8665 -5.8540 -5.6076 -5.5632 -5.5411 -5.5341 -5.5225 -5.4073 -5.3418 -5.3330 -5.3315 -5.3168 -5.2879 -5.2724 -5.2058 -5.1147 -5.0731 -4.9918 -4.9852 -4.8952 -3.2089 -3.2061 -3.1829 -3.1825 -3.1551 -3.1370 -3.1316 -3.1187 -3.1157 -3.1063 -3.1016 -3.0964 -3.0744 -3.0442 -3.0415 -3.0319 -3.0122 -3.0046 0.8996 0.9000 1.1062 1.1079 1.5525 1.5555 2.7352 2.7456 3.1554 3.1910 3.5286 3.5866 3.6916 3.6939 3.7616 3.8106 4.0097 4.0523 4.2165 4.2443 4.4981 4.5447 4.7578 4.7604 4.9566 4.9903 5.3227 5.3436 5.5559 5.6156 7.9789 8.1171 8.1639 8.1733 8.2744 8.3458 9.0057 9.0275 9.2187 9.4306 9.4375 9.4838 9.5509 9.7402 9.9904 10.1471 k = 0.0000 0.0000 0.4012 ( 7750 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.8798 -5.8684 -5.6060 -5.5660 -5.5454 -5.5360 -5.5182 -5.4057 -5.3424 -5.3339 -5.3332 -5.3216 -5.2860 -5.2722 -5.1961 -5.1023 -5.0731 -4.9870 -4.9859 -4.8911 -3.2092 -3.2063 -3.1858 -3.1849 -3.1545 -3.1357 -3.1317 -3.1175 -3.1154 -3.1037 -3.0980 -3.0943 -3.0748 -3.0426 -3.0419 -3.0308 -3.0118 -3.0039 0.9245 0.9250 1.1302 1.1321 1.5591 1.5623 2.7625 2.7748 3.1546 3.1919 3.5088 3.5663 3.6894 3.6928 3.7732 3.8245 4.0205 4.0609 4.1979 4.2308 4.4348 4.4840 4.7132 4.7164 4.9017 4.9378 5.3205 5.3429 5.5145 5.5764 8.0168 8.1403 8.1701 8.1983 8.3016 8.3774 8.9821 9.0119 9.2211 9.4168 9.4277 9.4493 9.5267 9.7465 9.9977 10.1687 k = 0.0000 0.0000 0.3801 ( 7754 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.8932 -5.8832 -5.6040 -5.5688 -5.5505 -5.5367 -5.5145 -5.4053 -5.3431 -5.3350 -5.3348 -5.3261 -5.2839 -5.2719 -5.1858 -5.0902 -5.0720 -4.9861 -4.9823 -4.8876 -3.2096 -3.2066 -3.1886 -3.1873 -3.1534 -3.1346 -3.1317 -3.1161 -3.1150 -3.1013 -3.0944 -3.0921 -3.0749 -3.0424 -3.0411 -3.0297 -3.0113 -3.0033 0.9515 0.9520 1.1565 1.1586 1.5661 1.5695 2.7920 2.8064 3.1550 3.1936 3.4896 3.5461 3.6860 3.6907 3.7864 3.8388 4.0297 4.0673 4.1769 4.2157 4.3724 4.4239 4.6653 4.6688 4.8430 4.8812 5.3152 5.3387 5.4734 5.5365 8.0566 8.1616 8.1805 8.2264 8.3316 8.4127 8.9566 8.9944 9.2229 9.3762 9.3927 9.4543 9.5137 9.7534 10.0043 10.1856 k = 0.0000 0.0000 0.3590 ( 7758 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.9068 -5.8981 -5.6019 -5.5717 -5.5555 -5.5371 -5.5115 -5.4062 -5.3436 -5.3363 -5.3362 -5.3302 -5.2819 -5.2717 -5.1751 -5.0785 -5.0699 -4.9858 -4.9778 -4.8850 -3.2100 -3.2069 -3.1913 -3.1897 -3.1517 -3.1337 -3.1317 -3.1146 -3.1145 -3.0991 -3.0910 -3.0898 -3.0748 -3.0429 -3.0398 -3.0285 -3.0107 -3.0028 0.9803 0.9808 1.1848 1.1871 1.5735 1.5771 2.8235 2.8404 3.1569 3.1963 3.4713 3.5263 3.6813 3.6877 3.8005 3.8533 4.0369 4.0711 4.1538 4.1988 4.3115 4.3649 4.6145 4.6180 4.7811 4.8208 5.3072 5.3316 5.4336 5.4970 8.0969 8.1830 8.1951 8.2558 8.3647 8.4504 8.9295 8.9751 9.2222 9.3211 9.3628 9.4621 9.5099 9.7605 10.0119 10.1984 k = 0.0000 0.0000 0.3379 ( 7762 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.9203 -5.9129 -5.5995 -5.5745 -5.5601 -5.5372 -5.5091 -5.4084 -5.3442 -5.3377 -5.3374 -5.3336 -5.2799 -5.2714 -5.1639 -5.0673 -5.0667 -4.9850 -4.9737 -4.8832 -3.2103 -3.2073 -3.1939 -3.1920 -3.1496 -3.1330 -3.1316 -3.1139 -3.1130 -3.0971 -3.0878 -3.0876 -3.0744 -3.0434 -3.0386 -3.0273 -3.0101 -3.0024 1.0107 1.0113 1.2151 1.2176 1.5813 1.5850 2.8567 2.8764 3.1605 3.1999 3.4540 3.5073 3.6756 3.6835 3.8153 3.8678 4.0415 4.0717 4.1288 4.1801 4.2527 4.3077 4.5615 4.5645 4.7163 4.7570 5.2973 5.3223 5.3958 5.4589 8.1362 8.2052 8.2134 8.2851 8.4011 8.4890 8.9013 8.9542 9.2146 9.2652 9.3364 9.4711 9.5111 9.7674 10.0213 10.2080 k = 0.0000 0.0000 0.3167 ( 7764 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.9336 -5.9274 -5.5971 -5.5773 -5.5643 -5.5372 -5.5074 -5.4119 -5.3447 -5.3390 -5.3387 -5.3365 -5.2781 -5.2711 -5.1524 -5.0626 -5.0566 -4.9839 -4.9698 -4.8823 -3.2107 -3.2078 -3.1963 -3.1942 -3.1470 -3.1325 -3.1315 -3.1132 -3.1113 -3.0954 -3.0853 -3.0848 -3.0737 -3.0438 -3.0377 -3.0261 -3.0094 -3.0022 1.0425 1.0431 1.2473 1.2499 1.5892 1.5930 2.8914 2.9142 3.1658 3.2046 3.4380 3.4895 3.6687 3.6781 3.8302 3.8818 4.0423 4.0685 4.1031 4.1599 4.1970 4.2525 4.5071 4.5089 4.6489 4.6902 5.2859 5.3112 5.3608 5.4229 8.1731 8.2284 8.2349 8.3139 8.4407 8.5273 8.8724 8.9321 9.1948 9.2096 9.3222 9.4818 9.5146 9.7737 10.0328 10.2150 k = 0.0000 0.0000 0.2956 ( 7758 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.9466 -5.9415 -5.5948 -5.5801 -5.5679 -5.5371 -5.5061 -5.4165 -5.3451 -5.3402 -5.3399 -5.3388 -5.2764 -5.2708 -5.1406 -5.0576 -5.0465 -4.9826 -4.9663 -4.8823 -3.2110 -3.2082 -3.1986 -3.1964 -3.1440 -3.1321 -3.1314 -3.1124 -3.1096 -3.0939 -3.0830 -3.0820 -3.0727 -3.0443 -3.0370 -3.0250 -3.0086 -3.0021 1.0753 1.0759 1.2811 1.2838 1.5973 1.6011 2.9272 2.9537 3.1731 3.2103 3.4236 3.4732 3.6608 3.6712 3.8451 3.8952 4.0358 4.0595 4.0803 4.1379 4.1467 4.1997 4.4520 4.4520 4.5797 4.6211 5.2736 5.2990 5.3288 5.3895 8.2069 8.2526 8.2590 8.3418 8.4827 8.5637 8.8434 8.9088 9.1554 9.1630 9.3221 9.4944 9.5193 9.7791 10.0467 10.2206 k = 0.0000 0.0000 0.2745 ( 7766 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.9592 -5.9551 -5.5927 -5.5827 -5.5708 -5.5368 -5.5054 -5.4221 -5.3455 -5.3413 -5.3412 -5.3406 -5.2749 -5.2706 -5.1287 -5.0519 -5.0370 -4.9810 -4.9631 -4.8831 -3.2114 -3.2087 -3.2007 -3.1985 -3.1406 -3.1319 -3.1313 -3.1114 -3.1078 -3.0926 -3.0809 -3.0796 -3.0715 -3.0448 -3.0365 -3.0240 -3.0078 -3.0021 1.1088 1.1094 1.3162 1.3191 1.6055 1.6093 2.9638 2.9945 3.1823 3.2169 3.4109 3.4587 3.6516 3.6626 3.8595 3.9077 4.0166 4.0407 4.0661 4.1043 4.1164 4.1496 4.3943 4.3970 4.5092 4.5504 5.2608 5.2860 5.3004 5.3593 8.2372 8.2773 8.2851 8.3684 8.5259 8.5972 8.8147 8.8847 9.1035 9.1249 9.3318 9.5090 9.5247 9.7833 10.0632 10.2254 k = 0.0000 0.0000 0.2534 ( 7772 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.9713 -5.9681 -5.5912 -5.5852 -5.5725 -5.5364 -5.5051 -5.4284 -5.3459 -5.3426 -5.3423 -5.3418 -5.2737 -5.2703 -5.1165 -5.0456 -5.0280 -4.9793 -4.9604 -4.8849 -3.2117 -3.2091 -3.2026 -3.2004 -3.1371 -3.1317 -3.1312 -3.1103 -3.1060 -3.0915 -3.0788 -3.0775 -3.0700 -3.0453 -3.0362 -3.0232 -3.0070 -3.0022 1.1426 1.1432 1.3525 1.3554 1.6137 1.6174 3.0008 3.0363 3.1938 3.2243 3.4000 3.4465 3.6412 3.6522 3.8729 3.9185 3.9879 4.0088 4.0573 4.0749 4.0939 4.1029 4.3364 4.3430 4.4386 4.4792 5.2481 5.2728 5.2754 5.3322 8.2646 8.3021 8.3117 8.3934 8.5685 8.6268 8.7875 8.8599 9.0553 9.0852 9.3478 9.5256 9.5308 9.7860 10.0824 10.2302 k = 0.0000 0.0000 0.2323 ( 7776 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.9828 -5.9803 -5.5907 -5.5876 -5.5726 -5.5358 -5.5052 -5.4354 -5.3463 -5.3438 -5.3433 -5.3428 -5.2726 -5.2700 -5.1041 -5.0389 -5.0198 -4.9775 -4.9582 -4.8876 -3.2120 -3.2096 -3.2044 -3.2022 -3.1337 -3.1317 -3.1306 -3.1090 -3.1042 -3.0906 -3.0768 -3.0756 -3.0683 -3.0457 -3.0361 -3.0226 -3.0062 -3.0023 1.1764 1.1769 1.3896 1.3925 1.6217 1.6253 3.0377 3.0788 3.2075 3.2320 3.3914 3.4370 3.6296 3.6397 3.8840 3.9263 3.9572 3.9710 4.0419 4.0513 4.0661 4.0728 4.2784 4.2904 4.3695 4.4086 5.2357 5.2541 5.2597 5.3082 8.2896 8.3265 8.3378 8.4163 8.6077 8.6514 8.7632 8.8349 9.0117 9.0463 9.3685 9.5377 9.5439 9.7871 10.1043 10.2355 k = 0.0000 0.0000 0.2112 ( 7790 PWs) bands (ev): -61.9840 -61.9840 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.9936 -5.9917 -5.5912 -5.5899 -5.5712 -5.5351 -5.5056 -5.4429 -5.3466 -5.3447 -5.3442 -5.3438 -5.2717 -5.2698 -5.0917 -5.0319 -5.0121 -4.9757 -4.9564 -4.8912 -3.2123 -3.2101 -3.2060 -3.2040 -3.1322 -3.1317 -3.1279 -3.1076 -3.1024 -3.0899 -3.0749 -3.0740 -3.0665 -3.0460 -3.0363 -3.0225 -3.0053 -3.0024 1.2096 1.2101 1.4270 1.4298 1.6294 1.6329 3.0739 3.1214 3.2236 3.2400 3.3851 3.4308 3.6168 3.6249 3.8865 3.9192 3.9331 3.9447 4.0051 4.0283 4.0517 4.0525 4.2199 4.2399 4.3038 4.3402 5.2237 5.2365 5.2471 5.2872 8.3129 8.3502 8.3622 8.4367 8.6387 8.6698 8.7457 8.8111 8.9737 9.0097 9.3929 9.5456 9.5634 9.7864 10.1288 10.2418 k = 0.0000 0.0000 0.1900 ( 7778 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -6.0035 -6.0022 -5.5925 -5.5920 -5.5685 -5.5342 -5.5064 -5.4507 -5.3469 -5.3455 -5.3449 -5.3446 -5.2709 -5.2696 -5.0791 -5.0248 -5.0051 -4.9739 -4.9551 -4.8956 -3.2125 -3.2106 -3.2075 -3.2055 -3.1320 -3.1318 -3.1239 -3.1060 -3.1008 -3.0894 -3.0732 -3.0726 -3.0647 -3.0463 -3.0366 -3.0228 -3.0045 -3.0024 1.2418 1.2422 1.4642 1.4669 1.6369 1.6401 3.1087 3.1636 3.2422 3.2480 3.3813 3.4284 3.6029 3.6080 3.8687 3.8867 3.9286 3.9403 3.9637 4.0079 4.0314 4.0423 4.1607 4.1919 4.2439 4.2758 5.2123 5.2223 5.2352 5.2688 8.3347 8.3726 8.3843 8.4542 8.6525 8.6796 8.7435 8.7914 8.9416 8.9761 9.4201 9.5549 9.5834 9.7838 10.1554 10.2495 k = 0.0000 0.0000 0.1689 ( 7782 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -6.0127 -6.0117 -5.5940 -5.5939 -5.5650 -5.5332 -5.5074 -5.4587 -5.3472 -5.3461 -5.3456 -5.3453 -5.2703 -5.2694 -5.0665 -5.0177 -4.9988 -4.9723 -4.9544 -4.9010 -3.2127 -3.2110 -3.2088 -3.2070 -3.1319 -3.1319 -3.1197 -3.1044 -3.0992 -3.0890 -3.0717 -3.0713 -3.0628 -3.0465 -3.0371 -3.0236 -3.0037 -3.0023 1.2726 1.2729 1.5006 1.5032 1.6439 1.6469 3.1416 3.2038 3.2568 3.2634 3.3803 3.4300 3.5880 3.5890 3.8400 3.8529 3.9187 3.9299 3.9391 3.9949 4.0079 4.0315 4.1025 4.1471 4.1910 4.2174 5.2018 5.2112 5.2244 5.2526 8.3552 8.3936 8.4035 8.4683 8.6466 8.6773 8.7585 8.7807 8.9153 8.9461 9.4493 9.5658 9.6030 9.7794 10.1837 10.2587 k = 0.0000 0.0000 0.1478 ( 7794 PWs) bands (ev): -61.9840 -61.9840 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -6.0209 -6.0202 -5.5956 -5.5956 -5.5609 -5.5320 -5.5087 -5.4668 -5.3474 -5.3466 -5.3462 -5.3460 -5.2698 -5.2692 -5.0538 -5.0106 -4.9931 -4.9709 -4.9543 -4.9071 -3.2129 -3.2114 -3.2099 -3.2083 -3.1320 -3.1320 -3.1155 -3.1028 -3.0978 -3.0888 -3.0704 -3.0701 -3.0609 -3.0466 -3.0377 -3.0249 -3.0029 -3.0020 1.3014 1.3016 1.5356 1.5380 1.6503 1.6531 3.1718 3.2367 3.2708 3.2870 3.3822 3.4356 3.5685 3.5726 3.8105 3.8222 3.8787 3.9089 3.9468 3.9782 3.9927 4.0123 4.0537 4.1071 4.1454 4.1664 5.1929 5.2024 5.2148 5.2385 8.3744 8.4126 8.4196 8.4787 8.6321 8.6631 8.7796 8.7805 8.8941 8.9199 9.4796 9.5783 9.6214 9.7729 10.2129 10.2695 k = 0.0000 0.0000 0.1267 ( 7788 PWs) bands (ev): -61.9840 -61.9840 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -6.0281 -6.0277 -5.5971 -5.5971 -5.5562 -5.5307 -5.5101 -5.4749 -5.3476 -5.3470 -5.3467 -5.3465 -5.2694 -5.2690 -5.0413 -5.0037 -4.9880 -4.9697 -4.9547 -4.9140 -3.2131 -3.2118 -3.2109 -3.2094 -3.1321 -3.1321 -3.1114 -3.1011 -3.0965 -3.0889 -3.0692 -3.0690 -3.0590 -3.0466 -3.0385 -3.0268 -3.0022 -3.0017 1.3277 1.3278 1.5683 1.5705 1.6562 1.6586 3.1990 3.2529 3.2989 3.3128 3.3869 3.4449 3.5475 3.5569 3.7826 3.7949 3.8381 3.8816 3.9453 3.9522 3.9750 3.9930 4.0303 4.0742 4.1062 4.1232 5.1859 5.1954 5.2064 5.2261 8.3923 8.4295 8.4326 8.4857 8.6162 8.6425 8.7871 8.7996 8.8773 8.8978 9.5101 9.5923 9.6379 9.7644 10.2420 10.2818 k = 0.0000 0.0000 0.1056 ( 7790 PWs) bands (ev): -61.9840 -61.9840 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -6.0343 -6.0341 -5.5984 -5.5984 -5.5512 -5.5293 -5.5117 -5.4830 -5.3478 -5.3473 -5.3472 -5.3470 -5.2691 -5.2689 -5.0288 -4.9971 -4.9835 -4.9688 -4.9557 -4.9217 -3.2132 -3.2121 -3.2116 -3.2104 -3.1322 -3.1322 -3.1075 -3.0995 -3.0954 -3.0891 -3.0682 -3.0681 -3.0569 -3.0465 -3.0393 -3.0291 -3.0016 -3.0013 1.3510 1.3511 1.5981 1.6000 1.6613 1.6634 3.2228 3.2601 3.3329 3.3398 3.3946 3.4568 3.5271 3.5415 3.7574 3.7710 3.7984 3.8509 3.9092 3.9206 3.9685 3.9948 4.0191 4.0492 4.0729 4.0869 5.1808 5.1899 5.1992 5.2152 8.4089 8.4427 8.4438 8.4892 8.6015 8.6207 8.7965 8.8160 8.8641 8.8796 9.5400 9.6073 9.6518 9.7537 10.2697 10.2952 k = 0.0000 0.0000 0.0845 ( 7780 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -6.0395 -6.0394 -5.5995 -5.5995 -5.5458 -5.5277 -5.5134 -5.4909 -5.3479 -5.3476 -5.3475 -5.3474 -5.2688 -5.2687 -5.0164 -4.9908 -4.9797 -4.9682 -4.9574 -4.9301 -3.2133 -3.2124 -3.2123 -3.2113 -3.1323 -3.1322 -3.1039 -3.0979 -3.0945 -3.0895 -3.0674 -3.0674 -3.0547 -3.0462 -3.0402 -3.0317 -3.0010 -3.0009 1.3708 1.3709 1.6239 1.6256 1.6657 1.6674 3.2429 3.2651 3.3652 3.3671 3.4050 3.4698 3.5084 3.5265 3.7357 3.7506 3.7608 3.8180 3.8749 3.8806 3.9756 3.9963 4.0110 4.0310 4.0453 4.0568 5.1776 5.1857 5.1933 5.2058 8.4240 8.4506 8.4553 8.4896 8.5889 8.6008 8.8068 8.8284 8.8540 8.8651 9.5688 9.6227 9.6625 9.7409 10.2946 10.3089 k = 0.0000 0.0000 0.0633 ( 7779 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -6.0435 -6.0435 -5.6003 -5.6003 -5.5400 -5.5260 -5.5151 -5.4987 -5.3480 -5.3478 -5.3478 -5.3477 -5.2687 -5.2686 -5.0043 -4.9848 -4.9764 -4.9680 -4.9596 -4.9392 -3.2133 -3.2127 -3.2127 -3.2120 -3.1323 -3.1323 -3.1008 -3.0965 -3.0939 -3.0901 -3.0668 -3.0668 -3.0523 -3.0458 -3.0411 -3.0345 -3.0006 -3.0005 1.3868 1.3868 1.6451 1.6464 1.6692 1.6705 3.2588 3.2695 3.3931 3.3931 3.4183 3.4814 3.4929 3.5125 3.7184 3.7279 3.7334 3.7837 3.8463 3.8485 3.9826 3.9969 4.0048 4.0181 4.0236 4.0327 5.1761 5.1828 5.1886 5.1976 8.4376 8.4567 8.4636 8.4874 8.5788 8.5846 8.8168 8.8365 8.8464 8.8540 9.5961 9.6375 9.6698 9.7260 10.3154 10.3219 k = 0.0000 0.0000 0.0422 ( 7799 PWs) bands (ev): -61.9840 -61.9840 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -6.0464 -6.0464 -5.6010 -5.6010 -5.5339 -5.5243 -5.5170 -5.5063 -5.3481 -5.3480 -5.3480 -5.3479 -5.2686 -5.2686 -4.9924 -4.9793 -4.9737 -4.9682 -4.9624 -4.9488 -3.2133 -3.2130 -3.2129 -3.2125 -3.1324 -3.1324 -3.0980 -3.0954 -3.0936 -3.0911 -3.0664 -3.0664 -3.0496 -3.0453 -3.0420 -3.0376 -3.0003 -3.0003 1.3985 1.3985 1.6609 1.6618 1.6719 1.6727 3.2700 3.2735 3.4147 3.4148 3.4356 3.4816 3.4874 3.4998 3.7040 3.7070 3.7192 3.7507 3.8251 3.8258 3.9887 3.9965 4.0001 4.0081 4.0092 4.0148 5.1762 5.1810 5.1849 5.1908 8.4495 8.4618 8.4685 8.4830 8.5712 8.5731 8.8259 8.8406 8.8414 8.8460 9.6220 9.6507 9.6733 9.7090 10.3309 10.3329 k = 0.0000 0.0000 0.0211 ( 7803 PWs) bands (ev): -61.9840 -61.9840 -34.8388 -34.8388 -26.1207 -26.1207 -26.1207 -26.1207 -6.0482 -6.0482 -5.6013 -5.6013 -5.5274 -5.5225 -5.5188 -5.5136 -5.3481 -5.3481 -5.3481 -5.3480 -5.2685 -5.2685 -4.9809 -4.9743 -4.9716 -4.9688 -4.9658 -4.9590 -3.2133 -3.2131 -3.2131 -3.2129 -3.1324 -3.1324 -3.0957 -3.0944 -3.0935 -3.0923 -3.0662 -3.0662 -3.0468 -3.0446 -3.0430 -3.0407 -3.0001 -3.0001 1.4056 1.4056 1.6708 1.6712 1.6735 1.6740 3.2762 3.2767 3.4290 3.4291 3.4565 3.4754 3.4832 3.4898 3.6951 3.7013 3.7085 3.7222 3.8122 3.8123 3.9937 3.9951 3.9966 4.0001 4.0027 4.0042 5.1778 5.1804 5.1823 5.1852 8.4599 8.4659 8.4701 8.4767 8.5663 8.5666 8.8333 8.8388 8.8409 8.8412 9.6463 9.6614 9.6730 9.6900 10.3402 10.3405 k = 0.0000 0.0000 0.0000 ( 7803 PWs) bands (ev): -61.9840 -61.9840 -34.8388 -34.8388 -26.1207 -26.1207 -26.1207 -26.1207 -6.0488 -6.0488 -5.6015 -5.6015 -5.5207 -5.5207 -5.5207 -5.5207 -5.3481 -5.3481 -5.3481 -5.3481 -5.2685 -5.2685 -4.9700 -4.9700 -4.9697 -4.9697 -4.9697 -4.9697 -3.2131 -3.2131 -3.2131 -3.2131 -3.1324 -3.1324 -3.0938 -3.0938 -3.0938 -3.0938 -3.0661 -3.0661 -3.0438 -3.0438 -3.0438 -3.0438 -3.0001 -3.0001 1.4080 1.4080 1.6742 1.6742 1.6742 1.6742 3.2780 3.2780 3.4344 3.4344 3.4761 3.4761 3.4761 3.4761 3.7021 3.7021 3.7021 3.7021 3.8078 3.8078 3.9939 3.9939 3.9990 3.9990 3.9990 3.9990 5.1808 5.1808 5.1808 5.1808 8.4690 8.4690 8.4690 8.4690 8.5646 8.5646 8.8386 8.8386 8.8386 8.8386 9.6690 9.6690 9.6690 9.6690 10.3432 10.3432 k = 0.0000 0.0000 0.0000 ( 7803 PWs) bands (ev): -61.9840 -61.9840 -34.8388 -34.8388 -26.1207 -26.1207 -26.1207 -26.1207 -6.0488 -6.0488 -5.6015 -5.6015 -5.5207 -5.5207 -5.5207 -5.5207 -5.3481 -5.3481 -5.3481 -5.3481 -5.2685 -5.2685 -4.9700 -4.9700 -4.9697 -4.9697 -4.9697 -4.9697 -3.2131 -3.2131 -3.2131 -3.2131 -3.1324 -3.1324 -3.0938 -3.0938 -3.0938 -3.0938 -3.0661 -3.0661 -3.0438 -3.0438 -3.0438 -3.0438 -3.0001 -3.0001 1.4080 1.4080 1.6742 1.6742 1.6742 1.6742 3.2780 3.2780 3.4344 3.4344 3.4761 3.4761 3.4761 3.4761 3.7021 3.7021 3.7021 3.7021 3.8078 3.8078 3.9939 3.9939 3.9990 3.9990 3.9990 3.9990 5.1808 5.1808 5.1808 5.1808 8.4690 8.4690 8.4690 8.4690 8.5646 8.5646 8.8386 8.8386 8.8386 8.8386 9.6690 9.6690 9.6690 9.6690 10.3432 10.3432 k = 0.0069 0.0098 0.0170 ( 7803 PWs) bands (ev): -61.9840 -61.9840 -34.8388 -34.8388 -26.1207 -26.1207 -26.1207 -26.1207 -6.0482 -6.0482 -5.6013 -5.6013 -5.5276 -5.5207 -5.5207 -5.5135 -5.3481 -5.3481 -5.3481 -5.3480 -5.2685 -5.2685 -4.9811 -4.9726 -4.9726 -4.9677 -4.9677 -4.9588 -3.2133 -3.2131 -3.2131 -3.2129 -3.1324 -3.1324 -3.0957 -3.0940 -3.0940 -3.0922 -3.0662 -3.0662 -3.0469 -3.0438 -3.0438 -3.0406 -3.0001 -3.0001 1.4057 1.4057 1.6720 1.6725 1.6725 1.6728 3.2765 3.2765 3.4292 3.4292 3.4558 3.4799 3.4799 3.4893 3.6950 3.7045 3.7045 3.7226 3.8121 3.8121 3.9946 3.9949 3.9949 4.0019 4.0019 4.0038 5.1778 5.1813 5.1813 5.1852 8.4598 8.4680 8.4680 8.4769 8.5664 8.5664 8.8331 8.8400 8.8400 8.8411 9.6461 9.6672 9.6672 9.6904 10.3404 10.3404 k = 0.0139 0.0196 0.0340 ( 7797 PWs) bands (ev): -61.9840 -61.9840 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -6.0465 -6.0465 -5.6010 -5.6010 -5.5342 -5.5207 -5.5207 -5.5060 -5.3481 -5.3480 -5.3480 -5.3479 -5.2686 -5.2686 -4.9928 -4.9758 -4.9758 -4.9660 -4.9660 -4.9484 -3.2133 -3.2130 -3.2130 -3.2125 -3.1324 -3.1324 -3.0981 -3.0944 -3.0944 -3.0910 -3.0664 -3.0664 -3.0498 -3.0437 -3.0437 -3.0375 -3.0003 -3.0003 1.3988 1.3988 1.6662 1.6671 1.6671 1.6676 3.2719 3.2719 3.4160 3.4160 3.4327 3.4894 3.4894 3.4917 3.7048 3.7112 3.7112 3.7517 3.8251 3.8251 3.9905 3.9953 3.9953 4.0092 4.0130 4.0130 5.1761 5.1829 5.1829 5.1909 8.4496 8.4649 8.4649 8.4834 8.5721 8.5721 8.8251 8.8401 8.8443 8.8443 9.6226 9.6619 9.6619 9.7095 10.3322 10.3322 k = 0.0208 0.0295 0.0510 ( 7785 PWs) bands (ev): -61.9840 -61.9840 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -6.0437 -6.0436 -5.6004 -5.6004 -5.5404 -5.5207 -5.5207 -5.4982 -5.3480 -5.3478 -5.3478 -5.3478 -5.2687 -5.2687 -5.0047 -4.9795 -4.9795 -4.9649 -4.9649 -4.9385 -3.2132 -3.2127 -3.2127 -3.2121 -3.1323 -3.1323 -3.1008 -3.0952 -3.0952 -3.0900 -3.0668 -3.0668 -3.0524 -3.0435 -3.0435 -3.0343 -3.0006 -3.0006 1.3875 1.3875 1.6568 1.6584 1.6584 1.6590 3.2645 3.2645 3.3972 3.3973 3.4094 3.4841 3.5033 3.5033 3.7209 3.7209 3.7307 3.7861 3.8465 3.8465 3.9866 3.9951 3.9951 4.0156 4.0318 4.0318 5.1758 5.1854 5.1854 5.1978 8.4384 8.4592 8.4592 8.4884 8.5817 8.5817 8.8150 8.8352 8.8516 8.8516 9.5995 9.6531 9.6531 9.7258 10.3192 10.3192 k = 0.0278 0.0393 0.0680 ( 7776 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -6.0397 -6.0397 -5.5995 -5.5995 -5.5462 -5.5207 -5.5207 -5.4903 -5.3479 -5.3475 -5.3475 -5.3475 -5.2688 -5.2688 -5.0169 -4.9836 -4.9836 -4.9643 -4.9643 -4.9292 -3.2130 -3.2124 -3.2124 -3.2115 -3.1322 -3.1322 -3.1039 -3.0962 -3.0962 -3.0892 -3.0674 -3.0674 -3.0548 -3.0433 -3.0433 -3.0313 -3.0010 -3.0010 1.3722 1.3722 1.6442 1.6464 1.6464 1.6471 3.2546 3.2546 3.3746 3.3746 3.3874 3.4704 3.5212 3.5212 3.7327 3.7327 3.7686 3.8233 3.8757 3.8757 3.9830 3.9949 3.9949 4.0236 4.0571 4.0571 5.1772 5.1891 5.1891 5.2059 8.4260 8.4504 8.4504 8.4914 8.5953 8.5953 8.8035 8.8258 8.8620 8.8620 9.5781 9.6412 9.6412 9.7391 10.3024 10.3024 k = 0.0347 0.0491 0.0851 ( 7782 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -6.0346 -6.0346 -5.5985 -5.5985 -5.5517 -5.5207 -5.5207 -5.4823 -5.3478 -5.3472 -5.3472 -5.3472 -5.2689 -5.2689 -5.0292 -4.9882 -4.9882 -4.9642 -4.9642 -4.9205 -3.2127 -3.2120 -3.2120 -3.2108 -3.1322 -3.1322 -3.1074 -3.0974 -3.0974 -3.0887 -3.0681 -3.0681 -3.0569 -3.0431 -3.0431 -3.0286 -3.0014 -3.0014 1.3534 1.3534 1.6286 1.6316 1.6316 1.6323 3.2426 3.2426 3.3495 3.3495 3.3673 3.4541 3.5427 3.5427 3.7461 3.7461 3.8143 3.8607 3.9107 3.9107 3.9798 3.9956 3.9956 4.0346 4.0882 4.0882 5.1802 5.1940 5.1940 5.2152 8.4124 8.4384 8.4384 8.4922 8.6123 8.6123 8.7908 8.8118 8.8757 8.8757 9.5594 9.6265 9.6265 9.7494 10.2829 10.2829 k = 0.0417 0.0589 0.1021 ( 7782 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -6.0285 -6.0285 -5.5972 -5.5972 -5.5568 -5.5207 -5.5207 -5.4741 -5.3476 -5.3469 -5.3467 -5.3467 -5.2692 -5.2692 -5.0416 -4.9933 -4.9933 -4.9647 -4.9647 -4.9125 -3.2122 -3.2115 -3.2115 -3.2100 -3.1321 -3.1321 -3.1112 -3.0988 -3.0988 -3.0883 -3.0691 -3.0691 -3.0587 -3.0430 -3.0430 -3.0260 -3.0020 -3.0020 1.3316 1.3316 1.6104 1.6142 1.6142 1.6149 3.2283 3.2283 3.3235 3.3235 3.3494 3.4372 3.5672 3.5672 3.7609 3.7609 3.8647 3.8954 3.9470 3.9470 3.9775 4.0006 4.0006 4.0506 4.1245 4.1245 5.1851 5.2001 5.2001 5.2258 8.3975 8.4233 8.4233 8.4902 8.6317 8.6317 8.7777 8.7933 8.8933 8.8933 9.5442 9.6095 9.6095 9.7569 10.2619 10.2619 k = 0.0486 0.0687 0.1191 ( 7782 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -6.0213 -6.0213 -5.5957 -5.5957 -5.5614 -5.5208 -5.5208 -5.4660 -5.3474 -5.3465 -5.3462 -5.3462 -5.2694 -5.2694 -5.0539 -4.9987 -4.9987 -4.9656 -4.9656 -4.9053 -3.2117 -3.2109 -3.2109 -3.2091 -3.1320 -3.1320 -3.1151 -3.1004 -3.1004 -3.0881 -3.0701 -3.0701 -3.0603 -3.0429 -3.0429 -3.0238 -3.0026 -3.0026 1.3073 1.3074 1.5900 1.5946 1.5946 1.5953 3.2113 3.2113 3.2984 3.2984 3.3336 3.4208 3.5937 3.5937 3.7772 3.7772 3.9156 3.9238 3.9695 3.9695 3.9786 4.0236 4.0236 4.0745 4.1657 4.1657 5.1920 5.2076 5.2076 5.2377 8.3810 8.4052 8.4052 8.4851 8.6523 8.6523 8.7645 8.7707 8.9151 8.9151 9.5332 9.5908 9.5908 9.7621 10.2401 10.2401 k = 0.0556 0.0786 0.1361 ( 7770 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -6.0132 -6.0131 -5.5941 -5.5941 -5.5657 -5.5209 -5.5209 -5.4580 -5.3471 -5.3459 -5.3457 -5.3457 -5.2697 -5.2697 -5.0661 -5.0045 -5.0045 -4.9671 -4.9671 -4.8988 -3.2111 -3.2102 -3.2102 -3.2081 -3.1319 -3.1319 -3.1192 -3.1020 -3.1020 -3.0880 -3.0714 -3.0714 -3.0616 -3.0429 -3.0429 -3.0219 -3.0033 -3.0033 1.2812 1.2812 1.5678 1.5732 1.5732 1.5739 3.1908 3.1908 3.2761 3.2761 3.3198 3.4052 3.6211 3.6211 3.7951 3.7951 3.9437 3.9491 3.9742 3.9742 3.9999 4.0677 4.0677 4.1077 4.2114 4.2114 5.2008 5.2166 5.2166 5.2509 8.3626 8.3844 8.3844 8.4764 8.6729 8.6729 8.7449 8.7520 8.9417 8.9417 9.5266 9.5709 9.5709 9.7654 10.2185 10.2185 k = 0.0625 0.0884 0.1531 ( 7773 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -6.0041 -6.0040 -5.5922 -5.5922 -5.5696 -5.5210 -5.5210 -5.4503 -5.3468 -5.3453 -5.3450 -5.3450 -5.2701 -5.2701 -5.0779 -5.0107 -5.0107 -4.9690 -4.9690 -4.8931 -3.2103 -3.2095 -3.2095 -3.2070 -3.1318 -3.1318 -3.1233 -3.1037 -3.1037 -3.0881 -3.0728 -3.0728 -3.0628 -3.0431 -3.0431 -3.0204 -3.0040 -3.0040 1.2537 1.2537 1.5442 1.5504 1.5504 1.5511 3.1663 3.1663 3.2579 3.2579 3.3080 3.3908 3.6483 3.6483 3.8145 3.8145 3.9539 3.9558 3.9733 3.9733 4.0517 4.1195 4.1195 4.1489 4.2615 4.2615 5.2117 5.2270 5.2270 5.2653 8.3419 8.3609 8.3609 8.4638 8.6921 8.6921 8.7170 8.7406 8.9733 8.9733 9.5242 9.5505 9.5505 9.7675 10.1976 10.1976 k = 0.0694 0.0982 0.1701 ( 7773 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.9941 -5.9941 -5.5903 -5.5903 -5.5731 -5.5211 -5.5211 -5.4429 -5.3464 -5.3445 -5.3442 -5.3442 -5.2706 -5.2706 -5.0894 -5.0172 -5.0172 -4.9714 -4.9714 -4.8883 -3.2095 -3.2086 -3.2086 -3.2059 -3.1318 -3.1318 -3.1273 -3.1054 -3.1054 -3.0882 -3.0743 -3.0743 -3.0638 -3.0435 -3.0435 -3.0192 -3.0047 -3.0047 1.2254 1.2254 1.5197 1.5266 1.5266 1.5273 3.1386 3.1386 3.2439 3.2439 3.2979 3.3775 3.6745 3.6745 3.8355 3.8355 3.9517 3.9624 3.9706 3.9706 4.1116 4.1743 4.1743 4.1953 4.3159 4.3159 5.2247 5.2390 5.2390 5.2811 8.3188 8.3353 8.3353 8.4473 8.6883 8.7091 8.7091 8.7306 9.0097 9.0097 9.5259 9.5302 9.5302 9.7687 10.1779 10.1779 k = 0.0764 0.1080 0.1871 ( 7767 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.9832 -5.9832 -5.5882 -5.5882 -5.5762 -5.5213 -5.5213 -5.4361 -5.3460 -5.3436 -5.3434 -5.3434 -5.2711 -5.2711 -5.1004 -5.0239 -5.0239 -4.9741 -4.9741 -4.8843 -3.2085 -3.2076 -3.2076 -3.2046 -3.1318 -3.1318 -3.1312 -3.1070 -3.1070 -3.0884 -3.0760 -3.0760 -3.0647 -3.0440 -3.0440 -3.0184 -3.0054 -3.0054 1.1967 1.1967 1.4946 1.5021 1.5021 1.5028 3.1087 3.1087 3.2333 3.2333 3.2893 3.3653 3.6988 3.6988 3.8580 3.8580 3.9479 3.9651 3.9671 3.9671 4.1735 4.2306 4.2306 4.2446 4.3744 4.3744 5.2397 5.2525 5.2525 5.2980 8.2931 8.3078 8.3078 8.4272 8.6603 8.7223 8.7237 8.7237 9.0502 9.0502 9.5106 9.5106 9.5312 9.7696 10.1597 10.1597 k = 0.0833 0.1179 0.2041 ( 7761 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1206 -26.1206 -26.1206 -26.1206 -5.9717 -5.9717 -5.5859 -5.5859 -5.5789 -5.5215 -5.5215 -5.4300 -5.3456 -5.3425 -5.3424 -5.3424 -5.2717 -5.2717 -5.1106 -5.0310 -5.0310 -4.9773 -4.9773 -4.8813 -3.2075 -3.2065 -3.2065 -3.2033 -3.1348 -3.1319 -3.1319 -3.1086 -3.1086 -3.0887 -3.0778 -3.0778 -3.0656 -3.0447 -3.0447 -3.0180 -3.0061 -3.0061 1.1681 1.1681 1.4692 1.4772 1.4772 1.4780 3.0781 3.0781 3.2252 3.2252 3.2822 3.3542 3.7207 3.7207 3.8818 3.8818 3.9433 3.9634 3.9634 3.9651 4.2357 4.2871 4.2871 4.2951 4.4367 4.4367 5.2565 5.2674 5.2674 5.3160 8.2649 8.2790 8.2790 8.4039 8.6339 8.7158 8.7356 8.7356 9.0937 9.0937 9.4922 9.4922 9.5397 9.7705 10.1433 10.1433 k = 0.0903 0.1277 0.2211 ( 7770 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.9594 -5.9594 -5.5837 -5.5837 -5.5813 -5.5217 -5.5217 -5.4248 -5.3451 -5.3414 -5.3414 -5.3411 -5.2724 -5.2724 -5.1200 -5.0382 -5.0382 -4.9808 -4.9808 -4.8791 -3.2063 -3.2054 -3.2054 -3.2019 -3.1382 -3.1320 -3.1320 -3.1101 -3.1101 -3.0891 -3.0797 -3.0797 -3.0663 -3.0456 -3.0456 -3.0180 -3.0068 -3.0068 1.1400 1.1400 1.4438 1.4523 1.4523 1.4532 3.0475 3.0475 3.2190 3.2190 3.2763 3.3441 3.7398 3.7398 3.9061 3.9061 3.9381 3.9603 3.9603 3.9630 4.2974 4.3430 4.3430 4.3458 4.5025 4.5025 5.2748 5.2834 5.2834 5.3348 8.2349 8.2496 8.2496 8.3784 8.6101 8.7109 8.7452 8.7452 9.1387 9.1387 9.4752 9.4752 9.5508 9.7717 10.1288 10.1288 k = 0.0972 0.1375 0.2381 ( 7770 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.9466 -5.9466 -5.5833 -5.5814 -5.5814 -5.5220 -5.5220 -5.4207 -5.3446 -5.3403 -5.3403 -5.3396 -5.2731 -5.2731 -5.1282 -5.0457 -5.0457 -4.9845 -4.9845 -4.8779 -3.2051 -3.2041 -3.2041 -3.2005 -3.1412 -3.1323 -3.1323 -3.1115 -3.1115 -3.0895 -3.0817 -3.0817 -3.0670 -3.0467 -3.0467 -3.0184 -3.0075 -3.0075 1.1126 1.1126 1.4187 1.4276 1.4276 1.4287 3.0175 3.0175 3.2143 3.2143 3.2714 3.3349 3.7559 3.7559 3.9269 3.9269 3.9325 3.9592 3.9619 3.9619 4.3580 4.3959 4.3976 4.3976 4.5712 4.5712 5.2942 5.3004 5.3004 5.3541 8.2040 8.2201 8.2201 8.3516 8.5892 8.7074 8.7527 8.7527 9.1835 9.1835 9.4600 9.4600 9.5640 9.7732 10.1164 10.1164 k = 0.1042 0.1473 0.2552 ( 7764 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.9332 -5.9332 -5.5849 -5.5790 -5.5790 -5.5222 -5.5222 -5.4178 -5.3441 -5.3390 -5.3390 -5.3380 -5.2740 -5.2740 -5.1352 -5.0533 -5.0533 -4.9885 -4.9885 -4.8776 -3.2038 -3.2027 -3.2027 -3.1991 -3.1437 -3.1327 -3.1327 -3.1127 -3.1127 -3.0901 -3.0837 -3.0837 -3.0677 -3.0479 -3.0479 -3.0191 -3.0082 -3.0082 1.0864 1.0864 1.3942 1.4034 1.4034 1.4046 2.9887 2.9887 3.2109 3.2109 3.2675 3.3265 3.7690 3.7690 3.9265 3.9338 3.9338 3.9539 3.9787 3.9787 4.4170 4.4450 4.4504 4.4504 4.6423 4.6423 5.3142 5.3179 5.3179 5.3734 8.1734 8.1916 8.1916 8.3245 8.5713 8.7053 8.7584 8.7584 9.2260 9.2260 9.4468 9.4468 9.5789 9.7750 10.1061 10.1061 k = 0.1111 0.1571 0.2722 ( 7767 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.9195 -5.9195 -5.5862 -5.5768 -5.5768 -5.5224 -5.5224 -5.4164 -5.3435 -5.3377 -5.3377 -5.3363 -5.2749 -5.2749 -5.1407 -5.0611 -5.0611 -4.9926 -4.9926 -4.8782 -3.2024 -3.2012 -3.2012 -3.1976 -3.1458 -3.1332 -3.1332 -3.1137 -3.1137 -3.0907 -3.0858 -3.0858 -3.0684 -3.0492 -3.0492 -3.0202 -3.0088 -3.0088 1.0616 1.0616 1.3704 1.3798 1.3798 1.3811 2.9614 2.9614 3.2086 3.2086 3.2645 3.3188 3.7791 3.7791 3.9201 3.9307 3.9307 3.9474 4.0067 4.0067 4.4739 4.4926 4.5009 4.5009 4.7151 4.7151 5.3342 5.3353 5.3353 5.3922 8.1445 8.1648 8.1648 8.2983 8.5563 8.7044 8.7628 8.7628 9.2637 9.2637 9.4362 9.4362 9.5952 9.7770 10.0981 10.0981 k = 0.1181 0.1670 0.2892 ( 7767 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.9055 -5.9054 -5.5871 -5.5746 -5.5746 -5.5226 -5.5226 -5.4163 -5.3429 -5.3362 -5.3362 -5.3346 -5.2759 -5.2759 -5.1446 -5.0690 -5.0690 -4.9968 -4.9968 -4.8797 -3.2009 -3.1996 -3.1996 -3.1961 -3.1474 -3.1339 -3.1339 -3.1146 -3.1146 -3.0914 -3.0880 -3.0880 -3.0690 -3.0507 -3.0507 -3.0216 -3.0095 -3.0095 1.0383 1.0383 1.3475 1.3570 1.3570 1.3585 2.9358 2.9358 3.2071 3.2071 3.2621 3.3118 3.7864 3.7864 3.9134 3.9248 3.9248 3.9398 4.0388 4.0388 4.5284 4.5386 4.5490 4.5490 4.7888 4.7888 5.3521 5.3521 5.3534 5.4099 8.1189 8.1408 8.1408 8.2739 8.5439 8.7048 8.7662 8.7662 9.2939 9.2939 9.4292 9.4292 9.6125 9.7791 10.0923 10.0923 k = 0.1250 0.1768 0.3062 ( 7791 PWs) bands (ev): -61.9840 -61.9840 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.8912 -5.8912 -5.5878 -5.5725 -5.5725 -5.5228 -5.5228 -5.4177 -5.3423 -5.3346 -5.3346 -5.3330 -5.2770 -5.2770 -5.1467 -5.0769 -5.0769 -5.0011 -5.0011 -4.8822 -3.1994 -3.1980 -3.1980 -3.1947 -3.1484 -3.1346 -3.1346 -3.1154 -3.1154 -3.0921 -3.0902 -3.0902 -3.0697 -3.0522 -3.0522 -3.0232 -3.0102 -3.0102 1.0169 1.0169 1.3256 1.3352 1.3352 1.3368 2.9121 2.9121 3.2063 3.2063 3.2604 3.3054 3.7912 3.7912 3.9064 3.9179 3.9179 3.9312 4.0730 4.0730 4.5801 4.5828 4.5944 4.5944 4.8625 4.8625 5.3674 5.3674 5.3710 5.4258 8.0979 8.1204 8.1204 8.2523 8.5339 8.7064 8.7688 8.7688 9.3131 9.3131 9.4274 9.4274 9.6305 9.7811 10.0885 10.0885 k = 0.1319 0.1866 0.3232 ( 7749 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.8770 -5.8770 -5.5881 -5.5706 -5.5706 -5.5228 -5.5228 -5.4204 -5.3415 -5.3330 -5.3330 -5.3317 -5.2781 -5.2781 -5.1471 -5.0849 -5.0849 -5.0054 -5.0054 -4.8855 -3.1978 -3.1962 -3.1962 -3.1932 -3.1489 -3.1355 -3.1355 -3.1161 -3.1161 -3.0930 -3.0924 -3.0924 -3.0703 -3.0536 -3.0536 -3.0251 -3.0110 -3.0110 0.9975 0.9975 1.3048 1.3143 1.3143 1.3161 2.8905 2.8905 3.2062 3.2062 3.2591 3.2994 3.7937 3.7937 3.8991 3.9104 3.9104 3.9219 4.1089 4.1089 4.6250 4.6291 4.6370 4.6370 4.9354 4.9355 5.3807 5.3807 5.3865 5.4390 8.0827 8.1045 8.1045 8.2343 8.5261 8.7093 8.7712 8.7712 9.3198 9.3198 9.4312 9.4312 9.6490 9.7827 10.0862 10.0862 k = 0.1389 0.1964 0.3402 ( 7755 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.8628 -5.8628 -5.5881 -5.5690 -5.5690 -5.5226 -5.5226 -5.4244 -5.3408 -5.3312 -5.3312 -5.3306 -5.2793 -5.2793 -5.1458 -5.0928 -5.0928 -5.0096 -5.0096 -4.8896 -3.1961 -3.1943 -3.1943 -3.1917 -3.1488 -3.1364 -3.1364 -3.1167 -3.1167 -3.0946 -3.0946 -3.0939 -3.0710 -3.0551 -3.0551 -3.0272 -3.0117 -3.0117 0.9801 0.9802 1.2852 1.2945 1.2945 1.2964 2.8710 2.8710 3.2067 3.2067 3.2583 3.2940 3.7941 3.7941 3.8916 3.9025 3.9025 3.9119 4.1462 4.1462 4.6652 4.6750 4.6769 4.6769 5.0067 5.0067 5.3913 5.3913 5.3990 5.4490 8.0744 8.0938 8.0938 8.2206 8.5203 8.7137 8.7735 8.7735 9.3158 9.3158 9.4381 9.4381 9.6677 9.7838 10.0847 10.0847 k = 0.1458 0.2062 0.3572 ( 7755 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.8488 -5.8488 -5.5878 -5.5676 -5.5676 -5.5223 -5.5223 -5.4297 -5.3401 -5.3297 -5.3294 -5.3294 -5.2804 -5.2804 -5.1429 -5.1007 -5.1007 -5.0136 -5.0136 -4.8946 -3.1944 -3.1924 -3.1924 -3.1903 -3.1482 -3.1374 -3.1374 -3.1173 -3.1173 -3.0968 -3.0968 -3.0949 -3.0716 -3.0565 -3.0565 -3.0295 -3.0125 -3.0125 0.9651 0.9651 1.2667 1.2758 1.2758 1.2779 2.8538 2.8538 3.2075 3.2075 3.2579 3.2889 3.7929 3.7929 3.8840 3.8943 3.8943 3.9015 4.1847 4.1847 4.7033 4.7139 4.7139 4.7178 5.0752 5.0752 5.3988 5.3988 5.4081 5.4551 8.0736 8.0888 8.0888 8.2115 8.5164 8.7196 8.7761 8.7761 9.3047 9.3047 9.4444 9.4444 9.6864 9.7843 10.0831 10.0831 k = 0.1528 0.2161 0.3742 ( 7749 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.8351 -5.8351 -5.5872 -5.5664 -5.5664 -5.5219 -5.5219 -5.4360 -5.3393 -5.3290 -5.3276 -5.3276 -5.2814 -5.2814 -5.1386 -5.1085 -5.1085 -5.0174 -5.0174 -4.9004 -3.1926 -3.1904 -3.1904 -3.1889 -3.1471 -3.1384 -3.1384 -3.1178 -3.1178 -3.0989 -3.0989 -3.0960 -3.0722 -3.0579 -3.0579 -3.0319 -3.0134 -3.0134 0.9525 0.9525 1.2493 1.2582 1.2582 1.2604 2.8388 2.8388 3.2088 3.2088 3.2576 3.2841 3.7902 3.7902 3.8763 3.8860 3.8860 3.8908 4.2242 4.2242 4.7391 4.7481 4.7481 4.7574 5.1399 5.1399 5.4031 5.4031 5.4135 5.4572 8.0806 8.0897 8.0897 8.2072 8.5147 8.7273 8.7792 8.7792 9.2890 9.2890 9.4483 9.4483 9.7051 9.7841 10.0799 10.0799 k = 0.1597 0.2259 0.3912 ( 7755 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.8220 -5.8219 -5.5864 -5.5656 -5.5656 -5.5212 -5.5212 -5.4432 -5.3385 -5.3285 -5.3258 -5.3258 -5.2823 -5.2823 -5.1331 -5.1162 -5.1162 -5.0211 -5.0211 -4.9068 -3.1908 -3.1883 -3.1883 -3.1874 -3.1456 -3.1395 -3.1395 -3.1185 -3.1185 -3.1010 -3.1010 -3.0972 -3.0729 -3.0591 -3.0591 -3.0345 -3.0143 -3.0143 0.9424 0.9424 1.2331 1.2417 1.2417 1.2439 2.8261 2.8261 3.2103 3.2103 3.2576 3.2796 3.7864 3.7864 3.8686 3.8775 3.8775 3.8799 4.2646 4.2646 4.7726 4.7794 4.7794 4.7936 5.1996 5.1996 5.4047 5.4047 5.4152 5.4552 8.0951 8.0964 8.0964 8.2075 8.5153 8.7370 8.7832 8.7832 9.2704 9.2704 9.4491 9.4491 9.7235 9.7834 10.0742 10.0742 k = 0.1667 0.2357 0.4082 ( 7737 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.8094 -5.8094 -5.5853 -5.5650 -5.5650 -5.5203 -5.5203 -5.4510 -5.3377 -5.3282 -5.3241 -5.3241 -5.2828 -5.2828 -5.1266 -5.1236 -5.1236 -5.0244 -5.0244 -4.9140 -3.1889 -3.1862 -3.1862 -3.1859 -3.1436 -3.1406 -3.1406 -3.1191 -3.1191 -3.1029 -3.1029 -3.0985 -3.0734 -3.0602 -3.0602 -3.0371 -3.0152 -3.0152 0.9348 0.9348 1.2180 1.2262 1.2262 1.2285 2.8156 2.8156 3.2121 3.2121 3.2577 3.2755 3.7816 3.7816 3.8609 3.8689 3.8689 3.8690 4.3057 4.3057 4.8033 4.8075 4.8075 4.8263 5.2524 5.2524 5.4048 5.4048 5.4134 5.4494 8.1086 8.1087 8.1163 8.2121 8.5188 8.7487 8.7884 8.7884 9.2500 9.2500 9.4470 9.4470 9.7416 9.7824 10.0647 10.0647 k = 0.1736 0.2455 0.4253 ( 7755 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7976 -5.7976 -5.5840 -5.5646 -5.5646 -5.5193 -5.5193 -5.4595 -5.3368 -5.3279 -5.3226 -5.3226 -5.2830 -5.2830 -5.1308 -5.1308 -5.1195 -5.0274 -5.0274 -4.9218 -3.1870 -3.1845 -3.1840 -3.1840 -3.1418 -3.1418 -3.1412 -3.1198 -3.1198 -3.1048 -3.1047 -3.0998 -3.0740 -3.0612 -3.0612 -3.0397 -3.0162 -3.0162 0.9300 0.9300 1.2039 1.2117 1.2117 1.2139 2.8072 2.8072 3.2142 3.2142 3.2577 3.2715 3.7763 3.7763 3.8533 3.8583 3.8603 3.8603 4.3475 4.3475 4.8309 4.8323 4.8323 4.8551 5.2947 5.2947 5.4067 5.4067 5.4087 5.4405 8.1256 8.1256 8.1430 8.2201 8.5258 8.7627 8.7952 8.7952 9.2289 9.2289 9.4420 9.4420 9.7595 9.7814 10.0512 10.0512 k = 0.1806 0.2553 0.4423 ( 7755 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7867 -5.7867 -5.5825 -5.5644 -5.5644 -5.5182 -5.5182 -5.4684 -5.3359 -5.3276 -5.3215 -5.3215 -5.2827 -5.2827 -5.1377 -5.1377 -5.1117 -5.0300 -5.0300 -4.9301 -3.1851 -3.1829 -3.1818 -3.1818 -3.1431 -3.1431 -3.1386 -3.1205 -3.1205 -3.1064 -3.1064 -3.1012 -3.0745 -3.0620 -3.0620 -3.0424 -3.0172 -3.0172 0.9279 0.9280 1.1907 1.1980 1.1980 1.2002 2.8008 2.8008 3.2163 3.2163 3.2578 3.2678 3.7706 3.7706 3.8459 3.8480 3.8518 3.8518 4.3897 4.3897 4.8532 4.8532 4.8550 4.8796 5.3212 5.3212 5.4019 5.4162 5.4162 5.4295 8.1465 8.1465 8.1732 8.2308 8.5375 8.7788 8.8039 8.8039 9.2081 9.2081 9.4339 9.4339 9.7770 9.7811 10.0337 10.0337 k = 0.1875 0.2652 0.4593 ( 7740 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7768 -5.7768 -5.5807 -5.5642 -5.5642 -5.5170 -5.5170 -5.4776 -5.3350 -5.3274 -5.3207 -5.3207 -5.2819 -5.2819 -5.1442 -5.1442 -5.1036 -5.0323 -5.0323 -4.9390 -3.1832 -3.1813 -3.1796 -3.1796 -3.1445 -3.1445 -3.1358 -3.1212 -3.1212 -3.1080 -3.1080 -3.1027 -3.0749 -3.0627 -3.0627 -3.0450 -3.0182 -3.0182 0.9287 0.9287 1.1783 1.1850 1.1850 1.1871 2.7963 2.7963 3.2187 3.2187 3.2577 3.2644 3.7647 3.7647 3.8381 3.8388 3.8434 3.8434 4.4322 4.4322 4.8697 4.8697 4.8750 4.8992 5.3301 5.3301 5.3944 5.4176 5.4354 5.4354 8.1700 8.1700 8.2043 8.2433 8.5553 8.7971 8.8149 8.8149 9.1884 9.1884 9.4223 9.4223 9.7819 9.7942 10.0131 10.0131 k = 0.1944 0.2750 0.4763 ( 7734 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7680 -5.7680 -5.5787 -5.5639 -5.5639 -5.5159 -5.5159 -5.4869 -5.3340 -5.3272 -5.3204 -5.3204 -5.2804 -5.2804 -5.1502 -5.1502 -5.0952 -5.0342 -5.0342 -4.9483 -3.1813 -3.1797 -3.1774 -3.1774 -3.1460 -3.1460 -3.1328 -3.1218 -3.1218 -3.1094 -3.1094 -3.1042 -3.0751 -3.0633 -3.0633 -3.0476 -3.0192 -3.0192 0.9324 0.9324 1.1664 1.1726 1.1726 1.1746 2.7934 2.7934 3.2212 3.2212 3.2575 3.2611 3.7590 3.7590 3.8289 3.8319 3.8352 3.8352 4.4749 4.4749 4.8811 4.8811 4.8901 4.9132 5.3290 5.3290 5.3872 5.4065 5.4578 5.4578 8.1949 8.1949 8.2338 8.2565 8.5804 8.8172 8.8284 8.8284 9.1706 9.1706 9.4061 9.4061 9.7848 9.8113 9.9911 9.9911 k = 0.2014 0.2848 0.4933 ( 7722 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7604 -5.7604 -5.5765 -5.5636 -5.5636 -5.5148 -5.5148 -5.4962 -5.3330 -5.3270 -5.3204 -5.3204 -5.2785 -5.2785 -5.1558 -5.1558 -5.0868 -5.0356 -5.0356 -4.9581 -3.1793 -3.1781 -3.1753 -3.1753 -3.1477 -3.1477 -3.1298 -3.1222 -3.1222 -3.1107 -3.1107 -3.1057 -3.0752 -3.0637 -3.0637 -3.0502 -3.0202 -3.0202 0.9390 0.9390 1.1551 1.1606 1.1606 1.1625 2.7920 2.7920 3.2238 3.2238 3.2571 3.2581 3.7534 3.7534 3.8204 3.8253 3.8273 3.8273 4.5176 4.5176 4.8870 4.8870 4.8999 4.9212 5.3252 5.3252 5.3818 5.3975 5.4770 5.4770 8.2199 8.2199 8.2592 8.2695 8.6140 8.8385 8.8448 8.8448 9.1552 9.1552 9.3842 9.3842 9.7902 9.8280 9.9698 9.9698 k = 0.2083 0.2946 0.5103 ( 7731 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7539 -5.7539 -5.5741 -5.5631 -5.5631 -5.5139 -5.5139 -5.5055 -5.3320 -5.3268 -5.3208 -5.3208 -5.2763 -5.2763 -5.1607 -5.1607 -5.0783 -5.0366 -5.0366 -4.9681 -3.1774 -3.1764 -3.1732 -3.1732 -3.1497 -3.1497 -3.1269 -3.1225 -3.1225 -3.1119 -3.1119 -3.1073 -3.0751 -3.0642 -3.0642 -3.0527 -3.0211 -3.0211 0.9487 0.9487 1.1440 1.1488 1.1488 1.1505 2.7917 2.7917 3.2265 3.2265 3.2553 3.2563 3.7483 3.7483 3.8129 3.8191 3.8199 3.8199 4.5601 4.5601 4.8869 4.8869 4.9038 4.9227 5.3225 5.3225 5.3794 5.3918 5.4903 5.4903 8.2436 8.2436 8.2794 8.2816 8.6557 8.8606 8.8643 8.8643 9.1425 9.1425 9.3553 9.3553 9.7990 9.8446 9.9515 9.9515 k = 0.2153 0.3044 0.5273 ( 7725 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7487 -5.7487 -5.5715 -5.5625 -5.5625 -5.5146 -5.5132 -5.5132 -5.3310 -5.3265 -5.3214 -5.3214 -5.2739 -5.2739 -5.1650 -5.1650 -5.0700 -5.0371 -5.0371 -4.9785 -3.1754 -3.1746 -3.1713 -3.1713 -3.1518 -3.1518 -3.1241 -3.1225 -3.1225 -3.1129 -3.1129 -3.1089 -3.0747 -3.0645 -3.0645 -3.0551 -3.0219 -3.0219 0.9614 0.9614 1.1330 1.1370 1.1371 1.1385 2.7923 2.7923 3.2293 3.2293 3.2528 3.2553 3.7437 3.7437 3.8064 3.8132 3.8132 3.8133 4.6022 4.6022 4.8811 4.8811 4.9019 4.9179 5.3225 5.3225 5.3806 5.3904 5.4966 5.4966 8.2649 8.2649 8.2923 8.2941 8.7042 8.8827 8.8870 8.8870 9.1325 9.1325 9.3186 9.3186 9.8115 9.8608 9.9381 9.9381 k = 0.2222 0.3143 0.5443 ( 7713 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7446 -5.7446 -5.5687 -5.5615 -5.5615 -5.5235 -5.5126 -5.5126 -5.3299 -5.3263 -5.3222 -5.3222 -5.2716 -5.2716 -5.1684 -5.1684 -5.0618 -5.0372 -5.0372 -4.9890 -3.1735 -3.1729 -3.1695 -3.1695 -3.1540 -3.1540 -3.1223 -3.1223 -3.1216 -3.1139 -3.1139 -3.1104 -3.0739 -3.0648 -3.0648 -3.0574 -3.0226 -3.0226 0.9772 0.9772 1.1219 1.1252 1.1252 1.1264 2.7936 2.7936 3.2321 3.2321 3.2505 3.2538 3.7398 3.7398 3.8010 3.8071 3.8071 3.8081 4.6436 4.6436 4.8703 4.8703 4.8947 4.9075 5.3258 5.3258 5.3858 5.3933 5.4958 5.4958 8.2830 8.2830 8.3012 8.3042 8.7574 8.9040 8.9124 8.9124 9.1250 9.1250 9.2743 9.2743 9.8279 9.8764 9.9305 9.9305 k = 0.2292 0.3241 0.5613 ( 7704 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7416 -5.7416 -5.5657 -5.5604 -5.5604 -5.5321 -5.5122 -5.5122 -5.3288 -5.3261 -5.3230 -5.3230 -5.2695 -5.2695 -5.1711 -5.1711 -5.0539 -5.0368 -5.0368 -4.9997 -3.1716 -3.1711 -3.1678 -3.1678 -3.1565 -3.1565 -3.1219 -3.1219 -3.1194 -3.1147 -3.1147 -3.1119 -3.0726 -3.0652 -3.0652 -3.0597 -3.0232 -3.0232 0.9961 0.9962 1.1104 1.1129 1.1129 1.1139 2.7950 2.7950 3.2350 3.2350 3.2485 3.2520 3.7366 3.7366 3.7970 3.8020 3.8020 3.8034 4.6839 4.6839 4.8560 4.8560 4.8831 4.8926 5.3321 5.3321 5.3947 5.4002 5.4881 5.4881 8.2974 8.2974 8.3080 8.3107 8.8129 8.9240 8.9398 8.9398 9.1195 9.1195 9.2240 9.2240 9.8478 9.8909 9.9280 9.9280 k = 0.2361 0.3339 0.5784 ( 7692 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7396 -5.7396 -5.5625 -5.5590 -5.5590 -5.5404 -5.5119 -5.5119 -5.3277 -5.3259 -5.3239 -5.3239 -5.2680 -5.2680 -5.1729 -5.1729 -5.0464 -5.0358 -5.0358 -5.0106 -3.1697 -3.1694 -3.1664 -3.1664 -3.1590 -3.1590 -3.1214 -3.1214 -3.1177 -3.1154 -3.1154 -3.1133 -3.0709 -3.0655 -3.0655 -3.0619 -3.0236 -3.0236 1.0182 1.0182 1.0984 1.1001 1.1001 1.1007 2.7965 2.7965 3.2379 3.2379 3.2467 3.2497 3.7343 3.7343 3.7945 3.7981 3.7981 3.7995 4.7220 4.7220 4.8404 4.8404 4.8683 4.8745 5.3404 5.3404 5.4068 5.4104 5.4743 5.4744 8.3077 8.3077 8.3127 8.3143 8.8686 8.9425 8.9667 8.9667 9.1152 9.1153 9.1712 9.1712 9.8705 9.9035 9.9282 9.9282 k = 0.2431 0.3437 0.5954 ( 7692 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7385 -5.7385 -5.5592 -5.5574 -5.5574 -5.5482 -5.5118 -5.5118 -5.3266 -5.3256 -5.3247 -5.3247 -5.2670 -5.2670 -5.1739 -5.1739 -5.0392 -5.0344 -5.0344 -5.0215 -3.1678 -3.1676 -3.1654 -3.1654 -3.1613 -3.1613 -3.1209 -3.1209 -3.1165 -3.1158 -3.1158 -3.1146 -3.0688 -3.0658 -3.0658 -3.0641 -3.0239 -3.0239 1.0435 1.0435 1.0856 1.0865 1.0865 1.0868 2.7975 2.7975 3.2408 3.2408 3.2450 3.2468 3.7329 3.7329 3.7936 3.7955 3.7955 3.7964 4.7540 4.7540 4.8286 4.8286 4.8517 4.8547 5.3489 5.3489 5.4214 5.4232 5.4562 5.4562 8.3138 8.3138 8.3154 8.3159 8.9228 8.9591 8.9852 8.9852 9.1115 9.1115 9.1252 9.1252 9.8947 9.9131 9.9268 9.9268 k = 0.2500 0.3536 0.6124 ( 7704 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7382 -5.7382 -5.5557 -5.5557 -5.5557 -5.5557 -5.5117 -5.5117 -5.3254 -5.3254 -5.3254 -5.3254 -5.2667 -5.2667 -5.1743 -5.1743 -5.0325 -5.0325 -5.0325 -5.0325 -3.1659 -3.1659 -3.1659 -3.1659 -3.1624 -3.1624 -3.1207 -3.1207 -3.1158 -3.1158 -3.1158 -3.1158 -3.0662 -3.0662 -3.0662 -3.0662 -3.0240 -3.0240 1.0718 1.0718 1.0718 1.0719 1.0720 1.0720 2.7980 2.7980 3.2435 3.2435 3.2435 3.2435 3.7324 3.7324 3.7944 3.7944 3.7944 3.7944 4.7673 4.7673 4.8343 4.8343 4.8343 4.8343 5.3533 5.3533 5.4377 5.4377 5.4377 5.4377 8.3161 8.3161 8.3161 8.3161 8.9741 8.9741 8.9741 8.9741 9.1068 9.1068 9.1094 9.1094 9.9185 9.9185 9.9185 9.9185 k = 0.2500 0.3536 0.6124 ( 7704 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7382 -5.7382 -5.5557 -5.5557 -5.5557 -5.5557 -5.5117 -5.5117 -5.3254 -5.3254 -5.3254 -5.3254 -5.2667 -5.2667 -5.1743 -5.1743 -5.0325 -5.0325 -5.0325 -5.0325 -3.1659 -3.1659 -3.1659 -3.1659 -3.1624 -3.1624 -3.1207 -3.1207 -3.1158 -3.1158 -3.1158 -3.1158 -3.0662 -3.0662 -3.0662 -3.0662 -3.0240 -3.0240 1.0718 1.0718 1.0718 1.0719 1.0720 1.0720 2.7980 2.7980 3.2435 3.2435 3.2435 3.2435 3.7324 3.7324 3.7944 3.7944 3.7944 3.7944 4.7673 4.7673 4.8343 4.8343 4.8343 4.8343 5.3533 5.3533 5.4377 5.4377 5.4377 5.4377 8.3161 8.3161 8.3161 8.3161 8.9741 8.9741 8.9741 8.9741 9.1068 9.1068 9.1094 9.1094 9.9185 9.9185 9.9185 9.9185 k = 0.2569 0.3339 0.6124 ( 7698 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7385 -5.7385 -5.5626 -5.5538 -5.5538 -5.5520 -5.5118 -5.5118 -5.3261 -5.3261 -5.3252 -5.3243 -5.2670 -5.2670 -5.1740 -5.1740 -5.0434 -5.0300 -5.0300 -5.0261 -3.1683 -3.1683 -3.1643 -3.1641 -3.1619 -3.1619 -3.1209 -3.1209 -3.1168 -3.1154 -3.1152 -3.1152 -3.0682 -3.0665 -3.0665 -3.0632 -3.0239 -3.0239 1.0558 1.0563 1.0563 1.0569 1.1035 1.1035 2.7975 2.7975 3.2396 3.2420 3.2459 3.2459 3.7329 3.7329 3.7937 3.7951 3.7951 3.7973 4.7592 4.7592 4.8145 4.8173 4.8612 4.8612 5.3455 5.3455 5.4275 5.4275 5.4534 5.4552 8.3146 8.3146 8.3149 8.3152 8.9286 8.9286 8.9875 9.0215 9.1031 9.1031 9.1266 9.1266 9.9010 9.9010 9.9184 9.9398 k = 0.2639 0.3143 0.6124 ( 7686 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7393 -5.7393 -5.5690 -5.5519 -5.5519 -5.5481 -5.5118 -5.5118 -5.3266 -5.3266 -5.3250 -5.3230 -5.2679 -5.2679 -5.1734 -5.1734 -5.0542 -5.0271 -5.0271 -5.0203 -3.1711 -3.1711 -3.1626 -3.1623 -3.1612 -3.1612 -3.1215 -3.1215 -3.1178 -3.1155 -3.1142 -3.1142 -3.0702 -3.0669 -3.0669 -3.0600 -3.0236 -3.0236 1.0384 1.0392 1.0392 1.0406 1.1382 1.1382 2.7959 2.7959 3.2351 3.2403 3.2479 3.2479 3.7347 3.7347 3.7946 3.7974 3.7974 3.8022 4.7451 4.7451 4.7961 4.8014 4.8947 4.8947 5.3206 5.3206 5.4304 5.4304 5.4696 5.4732 8.3096 8.3096 8.3122 8.3138 8.8706 8.8706 8.9997 9.0644 9.0965 9.0965 9.1591 9.1591 9.8764 9.8764 9.9116 9.9563 k = 0.2708 0.2946 0.6124 ( 7704 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7404 -5.7404 -5.5749 -5.5500 -5.5500 -5.5441 -5.5117 -5.5117 -5.3270 -5.3270 -5.3248 -5.3218 -5.2693 -5.2693 -5.1725 -5.1725 -5.0650 -5.0238 -5.0238 -5.0150 -3.1740 -3.1740 -3.1611 -3.1606 -3.1606 -3.1605 -3.1222 -3.1222 -3.1186 -3.1158 -3.1131 -3.1131 -3.0722 -3.0672 -3.0672 -3.0566 -3.0232 -3.0232 1.0195 1.0208 1.0208 1.0229 1.1760 1.1760 2.7930 2.7930 3.2301 3.2385 3.2492 3.2492 3.7379 3.7379 3.7974 3.8013 3.8013 3.8094 4.7310 4.7310 4.7797 4.7874 4.9293 4.9293 5.2846 5.2846 5.4411 5.4411 5.4861 5.4914 8.3015 8.3015 8.3081 8.3120 8.8108 8.8108 9.0109 9.0871 9.0871 9.1024 9.1958 9.1958 9.8488 9.8488 9.8978 9.9654 k = 0.2778 0.2750 0.6124 ( 7695 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7418 -5.7418 -5.5802 -5.5481 -5.5481 -5.5399 -5.5115 -5.5115 -5.3272 -5.3272 -5.3246 -5.3206 -5.2710 -5.2710 -5.1716 -5.1716 -5.0756 -5.0201 -5.0201 -5.0103 -3.1770 -3.1770 -3.1601 -3.1601 -3.1596 -3.1588 -3.1232 -3.1232 -3.1192 -3.1164 -3.1119 -3.1119 -3.0741 -3.0674 -3.0674 -3.0530 -3.0225 -3.0225 0.9991 1.0007 1.0008 1.0035 1.2169 1.2169 2.7888 2.7888 3.2245 3.2363 3.2498 3.2498 3.7429 3.7429 3.8024 3.8065 3.8065 3.8191 4.7188 4.7188 4.7657 4.7758 4.9634 4.9634 5.2429 5.2429 5.4548 5.4548 5.5024 5.5094 8.2903 8.2903 8.3030 8.3101 8.7529 8.7529 9.0211 9.0744 9.0744 9.1354 9.2333 9.2333 9.8214 9.8214 9.8770 9.9656 k = 0.2847 0.2553 0.6124 ( 7701 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7433 -5.7433 -5.5849 -5.5463 -5.5463 -5.5355 -5.5112 -5.5112 -5.3274 -5.3274 -5.3245 -5.3193 -5.2731 -5.2731 -5.1709 -5.1709 -5.0860 -5.0162 -5.0162 -5.0061 -3.1800 -3.1800 -3.1597 -3.1597 -3.1583 -3.1571 -3.1243 -3.1243 -3.1197 -3.1171 -3.1106 -3.1106 -3.0760 -3.0676 -3.0676 -3.0495 -3.0217 -3.0217 0.9771 0.9791 0.9791 0.9825 1.2607 1.2607 2.7833 2.7833 3.2185 3.2336 3.2495 3.2495 3.7499 3.7499 3.8099 3.8126 3.8126 3.8313 4.7093 4.7093 4.7546 4.7669 4.9966 4.9966 5.1980 5.1980 5.4696 5.4696 5.5182 5.5269 8.2762 8.2762 8.2970 8.3084 8.6988 8.6988 9.0303 9.0578 9.0578 9.1631 9.2701 9.2701 9.7965 9.7965 9.8501 9.9560 k = 0.2917 0.2357 0.6124 ( 7716 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7449 -5.7449 -5.5891 -5.5445 -5.5445 -5.5311 -5.5106 -5.5106 -5.3274 -5.3274 -5.3243 -5.3181 -5.2753 -5.2753 -5.1703 -5.1703 -5.0962 -5.0120 -5.0120 -5.0025 -3.1830 -3.1830 -3.1595 -3.1595 -3.1570 -3.1554 -3.1255 -3.1255 -3.1201 -3.1180 -3.1094 -3.1094 -3.0779 -3.0676 -3.0676 -3.0460 -3.0208 -3.0208 0.9534 0.9558 0.9558 0.9597 1.3074 1.3074 2.7765 2.7765 3.2119 3.2303 3.2481 3.2481 3.7593 3.7593 3.8191 3.8191 3.8202 3.8461 4.7029 4.7029 4.7464 4.7610 5.0283 5.0283 5.1517 5.1517 5.4844 5.4844 5.5335 5.5437 8.2593 8.2593 8.2906 8.3070 8.6497 8.6497 9.0370 9.0370 9.0384 9.1855 9.3050 9.3050 9.7751 9.7751 9.8185 9.9371 k = 0.2986 0.2161 0.6124 ( 7716 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7463 -5.7463 -5.5926 -5.5429 -5.5429 -5.5264 -5.5098 -5.5098 -5.3272 -5.3272 -5.3242 -5.3168 -5.2777 -5.2777 -5.1700 -5.1700 -5.1062 -5.0079 -5.0079 -4.9994 -3.1861 -3.1861 -3.1594 -3.1594 -3.1559 -3.1538 -3.1269 -3.1269 -3.1204 -3.1189 -3.1083 -3.1083 -3.0797 -3.0675 -3.0675 -3.0425 -3.0198 -3.0198 0.9281 0.9308 0.9308 0.9351 1.3568 1.3568 2.7685 2.7685 3.2050 3.2264 3.2457 3.2457 3.7711 3.7711 3.8256 3.8256 3.8334 3.8636 4.6998 4.6998 4.7413 4.7582 5.0574 5.0574 5.1062 5.1062 5.4990 5.4990 5.5480 5.5596 8.2399 8.2399 8.2839 8.3060 8.6064 8.6064 9.0119 9.0119 9.0451 9.2022 9.3373 9.3373 9.7579 9.7579 9.7837 9.9105 k = 0.3056 0.1964 0.6124 ( 7725 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7477 -5.7477 -5.5955 -5.5413 -5.5413 -5.5216 -5.5088 -5.5088 -5.3269 -5.3269 -5.3241 -5.3155 -5.2801 -5.2801 -5.1700 -5.1700 -5.1159 -5.0037 -5.0037 -4.9969 -3.1890 -3.1890 -3.1594 -3.1594 -3.1550 -3.1521 -3.1284 -3.1284 -3.1206 -3.1198 -3.1072 -3.1072 -3.0815 -3.0673 -3.0673 -3.0393 -3.0186 -3.0186 0.9013 0.9042 0.9042 0.9089 1.4087 1.4087 2.7596 2.7596 3.1978 3.2218 3.2422 3.2422 3.7851 3.7851 3.8315 3.8315 3.8498 3.8837 4.7001 4.7001 4.7394 4.7587 5.0532 5.0532 5.0933 5.0933 5.5129 5.5129 5.5615 5.5745 8.2183 8.2183 8.2773 8.3057 8.5692 8.5692 8.9830 8.9830 9.0500 9.2129 9.3667 9.3667 9.7444 9.7444 9.7477 9.8783 k = 0.3125 0.1768 0.6124 ( 7743 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7489 -5.7489 -5.5977 -5.5398 -5.5398 -5.5168 -5.5075 -5.5075 -5.3264 -5.3264 -5.3240 -5.3143 -5.2826 -5.2826 -5.1704 -5.1704 -5.1254 -4.9997 -4.9997 -4.9950 -3.1920 -3.1920 -3.1595 -3.1595 -3.1542 -3.1505 -3.1300 -3.1300 -3.1207 -3.1207 -3.1063 -3.1063 -3.0832 -3.0669 -3.0669 -3.0362 -3.0175 -3.0175 0.8729 0.8760 0.8760 0.8810 1.4631 1.4631 2.7501 2.7501 3.1904 3.2166 3.2377 3.2377 3.8004 3.8004 3.8372 3.8372 3.8694 3.9065 4.7039 4.7039 4.7405 4.7624 5.0103 5.0103 5.1191 5.1191 5.5261 5.5262 5.5741 5.5882 8.1949 8.1949 8.2709 8.3061 8.5378 8.5378 8.9508 8.9508 9.0525 9.2169 9.3927 9.3927 9.7123 9.7339 9.7339 9.8429 k = 0.3194 0.1571 0.6124 ( 7737 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7498 -5.7498 -5.5994 -5.5384 -5.5384 -5.5118 -5.5059 -5.5059 -5.3258 -5.3258 -5.3239 -5.3130 -5.2850 -5.2850 -5.1710 -5.1710 -5.1344 -4.9960 -4.9960 -4.9937 -3.1950 -3.1950 -3.1597 -3.1597 -3.1537 -3.1490 -3.1317 -3.1317 -3.1215 -3.1207 -3.1054 -3.1054 -3.0849 -3.0664 -3.0664 -3.0333 -3.0163 -3.0163 0.8431 0.8464 0.8464 0.8516 1.5195 1.5195 2.7401 2.7401 3.1830 3.2107 3.2323 3.2323 3.8133 3.8133 3.8453 3.8453 3.8922 3.9316 4.7109 4.7109 4.7447 4.7694 4.9679 4.9679 5.1453 5.1453 5.5385 5.5385 5.5856 5.6008 8.1705 8.1705 8.2651 8.3073 8.5120 8.5120 8.9162 8.9162 9.0518 9.2135 9.4154 9.4154 9.6795 9.7252 9.7252 9.8066 k = 0.3264 0.1375 0.6124 ( 7752 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7504 -5.7504 -5.6004 -5.5370 -5.5370 -5.5067 -5.5041 -5.5041 -5.3250 -5.3250 -5.3238 -5.3117 -5.2873 -5.2873 -5.1720 -5.1720 -5.1432 -4.9929 -4.9926 -4.9926 -3.1979 -3.1979 -3.1600 -3.1600 -3.1533 -3.1475 -3.1336 -3.1336 -3.1222 -3.1206 -3.1047 -3.1047 -3.0864 -3.0658 -3.0658 -3.0306 -3.0151 -3.0151 0.8121 0.8155 0.8155 0.8209 1.5778 1.5778 2.7303 2.7303 3.1755 3.2044 3.2263 3.2263 3.8178 3.8178 3.8609 3.8609 3.9179 3.9590 4.7213 4.7213 4.7520 4.7796 4.9283 4.9283 5.1703 5.1703 5.5498 5.5498 5.5960 5.6120 8.1455 8.1455 8.2598 8.3094 8.4910 8.4910 8.8802 8.8802 9.0475 9.2023 9.4350 9.4350 9.6506 9.7167 9.7167 9.7715 k = 0.3333 0.1179 0.6124 ( 7728 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7506 -5.7506 -5.6008 -5.5356 -5.5356 -5.5022 -5.5022 -5.5016 -5.3241 -5.3241 -5.3238 -5.3105 -5.2896 -5.2896 -5.1732 -5.1732 -5.1515 -4.9927 -4.9897 -4.9897 -3.2008 -3.2008 -3.1603 -3.1603 -3.1532 -3.1460 -3.1354 -3.1354 -3.1227 -3.1206 -3.1040 -3.1040 -3.0878 -3.0652 -3.0652 -3.0282 -3.0140 -3.0140 0.7800 0.7835 0.7835 0.7889 1.6374 1.6374 2.7209 2.7209 3.1682 3.1976 3.2197 3.2197 3.8139 3.8139 3.8833 3.8833 3.9464 3.9884 4.7349 4.7349 4.7621 4.7929 4.8924 4.8924 5.1940 5.1940 5.5602 5.5602 5.6052 5.6220 8.1207 8.1207 8.2553 8.3124 8.4741 8.4741 8.8438 8.8438 9.0388 9.1830 9.4517 9.4517 9.6267 9.7072 9.7072 9.7390 k = 0.3403 0.0982 0.6124 ( 7764 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7505 -5.7505 -5.6006 -5.5343 -5.5343 -5.5001 -5.5001 -5.4964 -5.3238 -5.3230 -5.3230 -5.3094 -5.2916 -5.2916 -5.1747 -5.1747 -5.1594 -4.9931 -4.9873 -4.9873 -3.2037 -3.2037 -3.1607 -3.1607 -3.1533 -3.1447 -3.1373 -3.1373 -3.1230 -3.1206 -3.1034 -3.1034 -3.0890 -3.0644 -3.0644 -3.0261 -3.0129 -3.0129 0.7470 0.7506 0.7506 0.7559 1.6979 1.6979 2.7125 2.7125 3.1610 3.1906 3.2129 3.2129 3.8038 3.8038 3.9093 3.9093 3.9773 4.0195 4.7514 4.7514 4.7751 4.8093 4.8606 4.8606 5.2163 5.2163 5.5694 5.5694 5.6132 5.6306 8.0964 8.0964 8.2516 8.3163 8.4605 8.4605 8.8082 8.8082 9.0254 9.1561 9.4657 9.4657 9.6079 9.6954 9.6954 9.7104 k = 0.3472 0.0786 0.6124 ( 7755 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7500 -5.7500 -5.5997 -5.5330 -5.5330 -5.4979 -5.4979 -5.4913 -5.3238 -5.3218 -5.3218 -5.3083 -5.2935 -5.2935 -5.1763 -5.1763 -5.1667 -4.9941 -4.9855 -4.9855 -3.2066 -3.2066 -3.1612 -3.1612 -3.1537 -3.1435 -3.1392 -3.1392 -3.1232 -3.1205 -3.1029 -3.1029 -3.0900 -3.0636 -3.0636 -3.0242 -3.0119 -3.0119 0.7134 0.7169 0.7169 0.7222 1.7587 1.7587 2.7059 2.7059 3.1542 3.1836 3.2060 3.2060 3.7885 3.7885 3.9375 3.9375 4.0104 4.0520 4.7702 4.7702 4.7909 4.8287 4.8338 4.8338 5.2372 5.2372 5.5776 5.5776 5.6201 5.6379 8.0726 8.0726 8.2488 8.3210 8.4495 8.4495 8.7744 8.7744 9.0072 9.1230 9.4773 9.4773 9.5937 9.6807 9.6807 9.6862 k = 0.3542 0.0589 0.6124 ( 7761 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7492 -5.7492 -5.5983 -5.5317 -5.5317 -5.4957 -5.4957 -5.4862 -5.3238 -5.3205 -5.3205 -5.3074 -5.2949 -5.2949 -5.1781 -5.1781 -5.1735 -4.9956 -4.9843 -4.9843 -3.2094 -3.2094 -3.1616 -3.1616 -3.1543 -3.1425 -3.1410 -3.1410 -3.1233 -3.1205 -3.1025 -3.1025 -3.0907 -3.0628 -3.0628 -3.0227 -3.0110 -3.0110 0.6792 0.6828 0.6828 0.6879 1.8191 1.8191 2.7016 2.7016 3.1477 3.1765 3.1991 3.1991 3.7683 3.7683 3.9670 3.9670 4.0451 4.0855 4.7866 4.7866 4.8094 4.8165 4.8165 4.8510 5.2568 5.2568 5.5848 5.5848 5.6259 5.6439 8.0494 8.0494 8.2468 8.3264 8.4404 8.4404 8.7433 8.7433 8.9846 9.0850 9.4867 9.4867 9.5831 9.6629 9.6629 9.6666 k = 0.3611 0.0393 0.6124 ( 7746 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7479 -5.7479 -5.5964 -5.5303 -5.5303 -5.4934 -5.4934 -5.4812 -5.3238 -5.3193 -5.3193 -5.3066 -5.2959 -5.2959 -5.1800 -5.1800 -5.1797 -4.9976 -4.9839 -4.9839 -3.2122 -3.2122 -3.1621 -3.1621 -3.1550 -3.1428 -3.1428 -3.1416 -3.1231 -3.1205 -3.1022 -3.1022 -3.0911 -3.0620 -3.0620 -3.0214 -3.0102 -3.0102 0.6449 0.6483 0.6484 0.6533 1.8780 1.8780 2.7007 2.7007 3.1415 3.1695 3.1925 3.1925 3.7437 3.7437 3.9973 3.9973 4.0811 4.1197 4.7812 4.7812 4.8277 4.8277 4.8307 4.8762 5.2750 5.2750 5.5908 5.5908 5.6305 5.6486 8.0266 8.0266 8.2456 8.3325 8.4327 8.4327 8.7157 8.7157 8.9582 9.0438 9.4940 9.4940 9.5748 9.6421 9.6421 9.6510 k = 0.3681 0.0196 0.6124 ( 7749 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7462 -5.7462 -5.5938 -5.5290 -5.5290 -5.4913 -5.4913 -5.4763 -5.3239 -5.3182 -5.3182 -5.3061 -5.2961 -5.2961 -5.1851 -5.1820 -5.1820 -5.0002 -4.9842 -4.9842 -3.2150 -3.2150 -3.1626 -3.1626 -3.1559 -3.1445 -3.1445 -3.1411 -3.1229 -3.1205 -3.1020 -3.1020 -3.0912 -3.0611 -3.0611 -3.0205 -3.0096 -3.0096 0.6106 0.6139 0.6139 0.6187 1.9345 1.9345 2.7041 2.7041 3.1358 3.1627 3.1861 3.1861 3.7153 3.7153 4.0278 4.0278 4.1179 4.1542 4.7665 4.7665 4.8543 4.8543 4.8545 4.9040 5.2919 5.2919 5.5958 5.5958 5.6341 5.6520 8.0038 8.0038 8.2449 8.3389 8.4258 8.4258 8.6924 8.6924 8.9290 9.0009 9.4992 9.4992 9.5680 9.6190 9.6190 9.6388 k = 0.3750-0.0000 0.6124 ( 7743 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7442 -5.7442 -5.5908 -5.5277 -5.5277 -5.4892 -5.4892 -5.4717 -5.3240 -5.3175 -5.3175 -5.3057 -5.2955 -5.2955 -5.1897 -5.1841 -5.1841 -5.0032 -4.9853 -4.9853 -3.2177 -3.2177 -3.1630 -3.1630 -3.1569 -3.1461 -3.1461 -3.1408 -3.1226 -3.1205 -3.1019 -3.1019 -3.0910 -3.0602 -3.0602 -3.0198 -3.0091 -3.0091 0.5765 0.5797 0.5797 0.5842 1.9872 1.9872 2.7131 2.7131 3.1306 3.1563 3.1802 3.1802 3.6838 3.6838 4.0581 4.0581 4.1549 4.1885 4.7527 4.7527 4.8809 4.8850 4.8850 4.9344 5.3075 5.3075 5.5999 5.5999 5.6366 5.6541 7.9807 7.9808 8.2447 8.3455 8.4192 8.4192 8.6736 8.6736 8.8981 8.9574 9.5022 9.5022 9.5616 9.5943 9.5943 9.6291 k = 0.3819-0.0196 0.6124 ( 7746 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7417 -5.7417 -5.5872 -5.5264 -5.5264 -5.4874 -5.4874 -5.4673 -5.3241 -5.3173 -5.3173 -5.3057 -5.2938 -5.2938 -5.1934 -5.1861 -5.1861 -5.0068 -4.9871 -4.9871 -3.2203 -3.2203 -3.1634 -3.1634 -3.1579 -3.1476 -3.1476 -3.1410 -3.1222 -3.1204 -3.1020 -3.1020 -3.0904 -3.0594 -3.0594 -3.0195 -3.0087 -3.0087 0.5429 0.5459 0.5459 0.5502 2.0349 2.0349 2.7285 2.7285 3.1258 3.1501 3.1747 3.1747 3.6500 3.6500 4.0878 4.0878 4.1919 4.2225 4.7404 4.7404 4.9098 4.9186 4.9186 4.9670 5.3219 5.3219 5.6029 5.6029 5.6382 5.6552 7.9573 7.9573 8.2448 8.3519 8.4126 8.4126 8.6595 8.6595 8.8666 8.9146 9.5032 9.5032 9.5552 9.5690 9.5690 9.6208 k = 0.3889-0.0393 0.6124 ( 7740 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7390 -5.7390 -5.5831 -5.5251 -5.5251 -5.4857 -5.4857 -5.4632 -5.3242 -5.3176 -5.3176 -5.3061 -5.2910 -5.2910 -5.1961 -5.1881 -5.1881 -5.0109 -4.9898 -4.9898 -3.2229 -3.2229 -3.1638 -3.1638 -3.1591 -3.1489 -3.1489 -3.1414 -3.1217 -3.1202 -3.1022 -3.1022 -3.0895 -3.0585 -3.0585 -3.0195 -3.0084 -3.0084 0.5100 0.5128 0.5128 0.5168 2.0763 2.0763 2.7515 2.7515 3.1215 3.1444 3.1698 3.1698 3.6148 3.6148 4.1166 4.1166 4.2282 4.2556 4.7292 4.7292 4.9410 4.9544 4.9544 5.0017 5.3352 5.3352 5.6052 5.6052 5.6388 5.6551 7.9333 7.9333 8.2448 8.3578 8.4055 8.4055 8.6498 8.6498 8.8356 8.8732 9.5019 9.5019 9.5442 9.5442 9.5482 9.6130 k = 0.3958-0.0589 0.6124 ( 7740 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1207 -26.1207 -5.7359 -5.7359 -5.5786 -5.5239 -5.5239 -5.4843 -5.4843 -5.4595 -5.3243 -5.3182 -5.3182 -5.3068 -5.2873 -5.2873 -5.1978 -5.1899 -5.1899 -5.0154 -4.9933 -4.9933 -3.2254 -3.2254 -3.1641 -3.1641 -3.1602 -3.1502 -3.1502 -3.1423 -3.1212 -3.1199 -3.1025 -3.1025 -3.0884 -3.0576 -3.0576 -3.0197 -3.0083 -3.0083 0.4780 0.4806 0.4806 0.4843 2.1108 2.1108 2.7823 2.7823 3.1177 3.1390 3.1654 3.1654 3.5789 3.5789 4.1440 4.1440 4.2635 4.2877 4.7185 4.7185 4.9744 4.9920 4.9920 5.0382 5.3474 5.3474 5.6066 5.6066 5.6386 5.6540 7.9089 7.9089 8.2445 8.3628 8.3976 8.3976 8.6439 8.6439 8.8061 8.8342 9.4980 9.4980 9.5211 9.5211 9.5404 9.6050 k = 0.4028-0.0786 0.6124 ( 7752 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7326 -5.7326 -5.5737 -5.5228 -5.5228 -5.4831 -5.4831 -5.4563 -5.3244 -5.3189 -5.3189 -5.3079 -5.2828 -5.2828 -5.1984 -5.1915 -5.1915 -5.0203 -4.9976 -4.9976 -3.2278 -3.2278 -3.1643 -3.1643 -3.1613 -3.1512 -3.1512 -3.1434 -3.1207 -3.1195 -3.1030 -3.1030 -3.0869 -3.0568 -3.0568 -3.0203 -3.0083 -3.0083 0.4470 0.4495 0.4495 0.4528 2.1383 2.1383 2.8205 2.8205 3.1142 3.1340 3.1616 3.1616 3.5435 3.5435 4.1699 4.1699 4.2975 4.3185 4.7076 4.7076 5.0097 5.0310 5.0310 5.0760 5.3585 5.3585 5.6072 5.6072 5.6377 5.6520 7.8841 7.8841 8.2437 8.3663 8.3887 8.3887 8.6413 8.6413 8.7787 8.7982 9.4890 9.4890 9.5032 9.5032 9.5316 9.5961 k = 0.4097-0.0982 0.6124 ( 7746 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7290 -5.7290 -5.5684 -5.5217 -5.5217 -5.4823 -5.4823 -5.4537 -5.3246 -5.3198 -5.3198 -5.3094 -5.2777 -5.2777 -5.1979 -5.1928 -5.1928 -5.0257 -5.0027 -5.0027 -3.2302 -3.2302 -3.1644 -3.1644 -3.1623 -3.1521 -3.1521 -3.1448 -3.1201 -3.1191 -3.1036 -3.1036 -3.0851 -3.0560 -3.0560 -3.0211 -3.0084 -3.0084 0.4174 0.4197 0.4197 0.4227 2.1590 2.1590 2.8650 2.8650 3.1113 3.1295 3.1586 3.1586 3.5094 3.5094 4.1940 4.1940 4.3298 4.3477 4.6963 4.6963 5.0465 5.0709 5.0709 5.1148 5.3686 5.3686 5.6073 5.6073 5.6361 5.6492 7.8593 7.8593 8.2422 8.3679 8.3787 8.3787 8.6411 8.6411 8.7543 8.7659 9.4730 9.4730 9.4930 9.4930 9.5219 9.5859 k = 0.4167-0.1179 0.6124 ( 7734 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7252 -5.7252 -5.5628 -5.5208 -5.5208 -5.4817 -5.4817 -5.4516 -5.3248 -5.3207 -5.3207 -5.3110 -5.2721 -5.2721 -5.1963 -5.1938 -5.1938 -5.0315 -5.0086 -5.0086 -3.2324 -3.2324 -3.1645 -3.1645 -3.1633 -3.1529 -3.1529 -3.1463 -3.1196 -3.1186 -3.1043 -3.1043 -3.0832 -3.0552 -3.0552 -3.0222 -3.0086 -3.0086 0.3893 0.3914 0.3914 0.3941 2.1740 2.1740 2.9139 2.9139 3.1087 3.1254 3.1564 3.1564 3.4778 3.4778 4.2161 4.2161 4.3603 4.3753 4.6841 4.6841 5.0846 5.1111 5.1111 5.1539 5.3778 5.3778 5.6069 5.6069 5.6339 5.6456 7.8348 7.8348 8.2398 8.3670 8.3673 8.3673 8.6428 8.6428 8.7331 8.7379 9.4562 9.4562 9.4848 9.4848 9.5111 9.5741 k = 0.4236-0.1375 0.6124 ( 7755 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7213 -5.7213 -5.5568 -5.5200 -5.5200 -5.4814 -5.4814 -5.4503 -5.3249 -5.3216 -5.3216 -5.3129 -5.2662 -5.2662 -5.1941 -5.1941 -5.1937 -5.0376 -5.0152 -5.0152 -3.2345 -3.2345 -3.1645 -3.1645 -3.1642 -3.1534 -3.1534 -3.1481 -3.1191 -3.1182 -3.1052 -3.1052 -3.0810 -3.0545 -3.0545 -3.0235 -3.0089 -3.0089 0.3628 0.3647 0.3647 0.3671 2.1843 2.1843 2.9643 2.9643 3.1065 3.1216 3.1553 3.1553 3.4501 3.4501 4.2360 4.2360 4.3886 4.4010 4.6709 4.6709 5.1234 5.1511 5.1511 5.1929 5.3861 5.3861 5.6061 5.6061 5.6313 5.6415 7.8111 7.8111 8.2365 8.3545 8.3545 8.3634 8.6455 8.6455 8.7145 8.7154 9.4412 9.4412 9.4765 9.4765 9.4996 9.5607 k = 0.4306-0.1571 0.6124 ( 7767 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7174 -5.7174 -5.5506 -5.5194 -5.5194 -5.4813 -5.4813 -5.4497 -5.3251 -5.3224 -5.3224 -5.3149 -5.2602 -5.2602 -5.1937 -5.1937 -5.1902 -5.0441 -5.0225 -5.0225 -3.2364 -3.2364 -3.1650 -3.1645 -3.1645 -3.1538 -3.1538 -3.1499 -3.1186 -3.1177 -3.1062 -3.1062 -3.0786 -3.0538 -3.0538 -3.0251 -3.0092 -3.0092 0.3381 0.3398 0.3398 0.3420 2.1910 2.1910 3.0126 3.0126 3.1046 3.1183 3.1558 3.1558 3.4284 3.4284 4.2534 4.2534 4.4148 4.4249 4.6565 4.6565 5.1623 5.1902 5.1902 5.2311 5.3935 5.3935 5.6050 5.6050 5.6283 5.6368 7.7883 7.7883 8.2326 8.3405 8.3405 8.3568 8.6488 8.6488 8.6958 8.7011 9.4281 9.4281 9.4680 9.4680 9.4875 9.5457 k = 0.4375-0.1768 0.6124 ( 7725 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7135 -5.7135 -5.5441 -5.5190 -5.5190 -5.4814 -5.4814 -5.4498 -5.3253 -5.3231 -5.3231 -5.3168 -5.2545 -5.2545 -5.1923 -5.1923 -5.1858 -5.0510 -5.0305 -5.0305 -3.2382 -3.2382 -3.1657 -3.1645 -3.1645 -3.1539 -3.1539 -3.1517 -3.1181 -3.1173 -3.1073 -3.1073 -3.0761 -3.0531 -3.0531 -3.0269 -3.0095 -3.0095 0.3154 0.3169 0.3169 0.3187 2.1950 2.1950 3.0539 3.0539 3.1031 3.1153 3.1587 3.1587 3.4155 3.4155 4.2682 4.2682 4.4386 4.4467 4.6411 4.6411 5.2009 5.2277 5.2277 5.2679 5.4001 5.4001 5.6037 5.6037 5.6251 5.6319 7.7669 7.7669 8.2283 8.3256 8.3256 8.3475 8.6521 8.6521 8.6816 8.6900 9.4169 9.4169 9.4597 9.4597 9.4751 9.5296 k = 0.4444-0.1964 0.6124 ( 7743 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1207 -26.1207 -5.7097 -5.7097 -5.5375 -5.5187 -5.5187 -5.4816 -5.4816 -5.4508 -5.3255 -5.3237 -5.3237 -5.3186 -5.2493 -5.2493 -5.1897 -5.1897 -5.1806 -5.0582 -5.0391 -5.0391 -3.2398 -3.2398 -3.1663 -3.1645 -3.1645 -3.1538 -3.1538 -3.1535 -3.1177 -3.1169 -3.1085 -3.1085 -3.0735 -3.0525 -3.0525 -3.0289 -3.0099 -3.0099 0.2947 0.2960 0.2960 0.2976 2.1972 2.1972 3.0831 3.0831 3.1019 3.1126 3.1642 3.1642 3.4152 3.4152 4.2801 4.2801 4.4601 4.4665 4.6251 4.6251 5.2386 5.2631 5.2631 5.3027 5.4060 5.4060 5.6025 5.6025 5.6217 5.6266 7.7471 7.7471 8.2239 8.3102 8.3102 8.3358 8.6551 8.6551 8.6714 8.6817 9.4072 9.4072 9.4517 9.4517 9.4628 9.5126 k = 0.4514-0.2161 0.6124 ( 7737 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1207 -26.1207 -5.7060 -5.7060 -5.5307 -5.5186 -5.5186 -5.4819 -5.4819 -5.4525 -5.3257 -5.3243 -5.3243 -5.3203 -5.2450 -5.2450 -5.1855 -5.1855 -5.1748 -5.0656 -5.0483 -5.0483 -3.2413 -3.2413 -3.1667 -3.1645 -3.1645 -3.1553 -3.1536 -3.1536 -3.1173 -3.1166 -3.1098 -3.1098 -3.0707 -3.0520 -3.0520 -3.0311 -3.0103 -3.0103 0.2762 0.2773 0.2773 0.2787 2.1981 2.1981 3.0990 3.0990 3.1010 3.1103 3.1700 3.1700 3.4297 3.4297 4.2889 4.2889 4.4791 4.4841 4.6088 4.6088 5.2746 5.2957 5.2957 5.3347 5.4112 5.4112 5.6013 5.6013 5.6182 5.6214 7.7292 7.7292 8.2199 8.2948 8.2948 8.3225 8.6575 8.6575 8.6646 8.6757 9.3989 9.3989 9.4443 9.4443 9.4510 9.4954 k = 0.4583-0.2357 0.6124 ( 7737 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1207 -26.1207 -5.7026 -5.7026 -5.5238 -5.5186 -5.5186 -5.4823 -5.4823 -5.4550 -5.3259 -5.3248 -5.3248 -5.3217 -5.2416 -5.2416 -5.1797 -5.1797 -5.1684 -5.0733 -5.0580 -5.0580 -3.2426 -3.2426 -3.1669 -3.1646 -3.1646 -3.1570 -3.1532 -3.1532 -3.1170 -3.1163 -3.1110 -3.1110 -3.0679 -3.0514 -3.0514 -3.0334 -3.0107 -3.0107 0.2600 0.2610 0.2610 0.2621 2.1982 2.1982 3.1003 3.1057 3.1057 3.1082 3.1723 3.1723 3.4575 3.4575 4.2943 4.2943 4.4957 4.4995 4.5929 4.5929 5.3084 5.3248 5.3248 5.3635 5.4158 5.4158 5.6004 5.6004 5.6148 5.6162 7.7134 7.7134 8.2168 8.2801 8.2801 8.3081 8.6593 8.6593 8.6604 8.6715 9.3919 9.3919 9.4374 9.4374 9.4401 9.4784 k = 0.4653-0.2553 0.6124 ( 7722 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.6995 -5.6995 -5.5187 -5.5187 -5.5169 -5.4826 -5.4826 -5.4583 -5.3260 -5.3252 -5.3252 -5.3230 -5.2392 -5.2392 -5.1724 -5.1724 -5.1615 -5.0812 -5.0681 -5.0681 -3.2436 -3.2436 -3.1670 -3.1646 -3.1646 -3.1586 -3.1527 -3.1527 -3.1166 -3.1161 -3.1122 -3.1122 -3.0650 -3.0510 -3.0510 -3.0359 -3.0110 -3.0110 0.2462 0.2470 0.2470 0.2479 2.1979 2.1979 3.0999 3.1064 3.1074 3.1074 3.1707 3.1707 3.4933 3.4933 4.2965 4.2965 4.5098 4.5126 4.5783 4.5783 5.3393 5.3500 5.3500 5.3882 5.4198 5.4198 5.5998 5.5998 5.6113 5.6114 7.6997 7.6997 8.2149 8.2667 8.2667 8.2935 8.6581 8.6604 8.6604 8.6685 9.3863 9.3863 9.4304 9.4312 9.4312 9.4625 k = 0.4722-0.2750 0.6124 ( 7727 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.6968 -5.6968 -5.5190 -5.5190 -5.5099 -5.4829 -5.4829 -5.4623 -5.3261 -5.3255 -5.3255 -5.3240 -5.2376 -5.2376 -5.1639 -5.1639 -5.1542 -5.0892 -5.0787 -5.0787 -3.2446 -3.2446 -3.1669 -3.1647 -3.1647 -3.1602 -3.1521 -3.1521 -3.1164 -3.1159 -3.1134 -3.1134 -3.0620 -3.0506 -3.0506 -3.0385 -3.0113 -3.0113 0.2348 0.2354 0.2354 0.2361 2.1973 2.1973 3.0997 3.1048 3.1067 3.1067 3.1672 3.1672 3.5309 3.5309 4.2956 4.2956 4.5213 4.5234 4.5656 4.5656 5.3669 5.3706 5.3706 5.4083 5.4234 5.4234 5.5995 5.5995 5.6070 5.6082 7.6884 7.6884 8.2145 8.2549 8.2549 8.2790 8.6572 8.6608 8.6608 8.6663 9.3820 9.3820 9.4224 9.4256 9.4256 9.4480 k = 0.4792-0.2946 0.6124 ( 7727 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.6947 -5.6947 -5.5192 -5.5192 -5.5031 -5.4832 -5.4832 -5.4668 -5.3262 -5.3257 -5.3257 -5.3247 -5.2366 -5.2366 -5.1545 -5.1544 -5.1465 -5.0974 -5.0895 -5.0895 -3.2453 -3.2453 -3.1667 -3.1648 -3.1648 -3.1616 -3.1515 -3.1515 -3.1161 -3.1158 -3.1143 -3.1143 -3.0590 -3.0504 -3.0504 -3.0413 -3.0116 -3.0116 0.2259 0.2264 0.2264 0.2269 2.1967 2.1967 3.0997 3.1035 3.1049 3.1049 3.1635 3.1635 3.5655 3.5655 4.2926 4.2926 4.5304 4.5318 4.5555 4.5555 5.3862 5.3862 5.3905 5.4232 5.4267 5.4267 5.5995 5.5995 5.6035 5.6053 7.6795 7.6795 8.2160 8.2453 8.2453 8.2654 8.6573 8.6608 8.6608 8.6646 9.3791 9.3791 9.4165 9.4207 9.4207 9.4355 k = 0.4861-0.3143 0.6124 ( 7712 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.6931 -5.6931 -5.5194 -5.5194 -5.4963 -5.4833 -5.4833 -5.4719 -5.3262 -5.3259 -5.3259 -5.3253 -5.2360 -5.2360 -5.1443 -5.1443 -5.1386 -5.1057 -5.1005 -5.1005 -3.2458 -3.2458 -3.1663 -3.1648 -3.1648 -3.1628 -3.1511 -3.1511 -3.1159 -3.1157 -3.1151 -3.1151 -3.0560 -3.0501 -3.0501 -3.0441 -3.0117 -3.0117 0.2196 0.2199 0.2199 0.2202 2.1962 2.1962 3.0998 3.1024 3.1028 3.1028 3.1606 3.1606 3.5932 3.5932 4.2887 4.2887 4.5369 4.5378 4.5482 4.5482 5.3969 5.3969 5.4097 5.4297 5.4297 5.4324 5.5996 5.5996 5.6010 5.6028 7.6732 7.6732 8.2195 8.2383 8.2383 8.2529 8.6580 8.6607 8.6607 8.6631 9.3773 9.3773 9.4128 9.4169 9.4169 9.4255 k = 0.4931-0.3339 0.6124 ( 7712 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.6921 -5.6921 -5.5196 -5.5196 -5.4898 -5.4835 -5.4835 -5.4775 -5.3262 -5.3260 -5.3260 -5.3257 -5.2357 -5.2357 -5.1336 -5.1336 -5.1305 -5.1140 -5.1116 -5.1116 -3.2461 -3.2461 -3.1657 -3.1649 -3.1649 -3.1639 -3.1508 -3.1508 -3.1158 -3.1157 -3.1156 -3.1156 -3.0530 -3.0500 -3.0500 -3.0470 -3.0118 -3.0118 0.2158 0.2160 0.2160 0.2161 2.1959 2.1959 3.1002 3.1013 3.1013 3.1015 3.1588 3.1588 3.6111 3.6111 4.2855 4.2855 4.5409 4.5414 4.5439 4.5439 5.4029 5.4029 5.4239 5.4318 5.4318 5.4355 5.5998 5.5998 5.5998 5.6009 7.6693 7.6693 8.2250 8.2339 8.2339 8.2418 8.6591 8.6604 8.6604 8.6617 9.3764 9.3764 9.4118 9.4144 9.4144 9.4181 k = 0.5000-0.3536 0.6124 ( 7712 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.6918 -5.6918 -5.5196 -5.5196 -5.4835 -5.4835 -5.4835 -5.4835 -5.3260 -5.3260 -5.3260 -5.3260 -5.2356 -5.2356 -5.1231 -5.1231 -5.1223 -5.1223 -5.1223 -5.1223 -3.2462 -3.2462 -3.1649 -3.1649 -3.1649 -3.1649 -3.1507 -3.1507 -3.1157 -3.1157 -3.1157 -3.1157 -3.0500 -3.0500 -3.0500 -3.0500 -3.0119 -3.0119 0.2147 0.2147 0.2147 0.2147 2.1958 2.1958 3.1007 3.1007 3.1007 3.1007 3.1582 3.1582 3.6173 3.6173 4.2842 4.2842 4.5424 4.5424 4.5424 4.5424 5.4048 5.4048 5.4327 5.4327 5.4327 5.4327 5.5998 5.5998 5.5998 5.5998 7.6680 7.6680 8.2325 8.2325 8.2325 8.2325 8.6604 8.6604 8.6604 8.6604 9.3762 9.3762 9.4135 9.4135 9.4135 9.4135 k = 0.2500 0.3536 0.6124 ( 7704 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7382 -5.7382 -5.5557 -5.5557 -5.5557 -5.5557 -5.5117 -5.5117 -5.3254 -5.3254 -5.3254 -5.3254 -5.2667 -5.2667 -5.1743 -5.1743 -5.0325 -5.0325 -5.0325 -5.0325 -3.1659 -3.1659 -3.1659 -3.1659 -3.1624 -3.1624 -3.1207 -3.1207 -3.1158 -3.1158 -3.1158 -3.1158 -3.0662 -3.0662 -3.0662 -3.0662 -3.0240 -3.0240 1.0718 1.0718 1.0718 1.0719 1.0720 1.0720 2.7980 2.7980 3.2435 3.2435 3.2435 3.2435 3.7324 3.7324 3.7944 3.7944 3.7944 3.7944 4.7673 4.7673 4.8343 4.8343 4.8343 4.8343 5.3533 5.3533 5.4377 5.4377 5.4377 5.4377 8.3161 8.3161 8.3161 8.3161 8.9741 8.9741 8.9741 8.9741 9.1068 9.1068 9.1094 9.1094 9.9185 9.9185 9.9185 9.9185 k = 0.2381 0.3367 0.6124 ( 7700 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7385 -5.7385 -5.5597 -5.5597 -5.5514 -5.5514 -5.5118 -5.5118 -5.3262 -5.3262 -5.3246 -5.3246 -5.2670 -5.2670 -5.1740 -5.1740 -5.0389 -5.0388 -5.0259 -5.0259 -3.1680 -3.1680 -3.1647 -3.1647 -3.1616 -3.1616 -3.1209 -3.1209 -3.1163 -3.1163 -3.1150 -3.1150 -3.0679 -3.0679 -3.0644 -3.0644 -3.0239 -3.0239 1.0466 1.0466 1.0715 1.0715 1.0980 1.0980 2.7975 2.7975 3.2407 3.2407 3.2460 3.2460 3.7328 3.7328 3.7938 3.7938 3.7967 3.7967 4.7566 4.7566 4.8219 4.8219 4.8575 4.8575 5.3476 5.3476 5.4237 5.4237 5.4560 5.4560 8.3137 8.3137 8.3160 8.3160 8.9322 8.9322 8.9969 8.9969 9.1110 9.1110 9.1228 9.1228 9.9006 9.9006 9.9299 9.9299 k = 0.2262 0.3199 0.6124 ( 7686 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7394 -5.7394 -5.5635 -5.5635 -5.5470 -5.5470 -5.5118 -5.5118 -5.3268 -5.3268 -5.3238 -5.3238 -5.2679 -5.2679 -5.1732 -5.1732 -5.0450 -5.0450 -5.0193 -5.0193 -3.1705 -3.1705 -3.1644 -3.1644 -3.1599 -3.1599 -3.1215 -3.1215 -3.1166 -3.1166 -3.1142 -3.1142 -3.0694 -3.0694 -3.0626 -3.0626 -3.0236 -3.0236 1.0223 1.0223 1.0702 1.0702 1.1249 1.1249 2.7961 2.7961 3.2378 3.2378 3.2484 3.2484 3.7339 3.7339 3.7934 3.7934 3.8023 3.8023 4.7314 4.7314 4.8194 4.8194 4.8856 4.8856 5.3332 5.3332 5.4113 5.4113 5.4784 5.4784 8.3067 8.3067 8.3155 8.3155 8.8804 8.8804 8.9996 8.9996 9.1231 9.1231 9.1555 9.1555 9.8775 9.8775 9.9364 9.9364 k = 0.2143 0.3030 0.6124 ( 7704 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7409 -5.7409 -5.5670 -5.5670 -5.5427 -5.5427 -5.5118 -5.5118 -5.3275 -5.3275 -5.3229 -5.3229 -5.2693 -5.2693 -5.1721 -5.1721 -5.0507 -5.0507 -5.0128 -5.0128 -3.1732 -3.1732 -3.1643 -3.1643 -3.1580 -3.1580 -3.1223 -3.1223 -3.1167 -3.1167 -3.1135 -3.1135 -3.0707 -3.0707 -3.0607 -3.0607 -3.0232 -3.0232 0.9989 0.9989 1.0681 1.0681 1.1524 1.1524 2.7934 2.7934 3.2350 3.2350 3.2511 3.2511 3.7347 3.7347 3.7927 3.7927 3.8118 3.8118 4.7006 4.7006 4.8216 4.8216 4.9149 4.9149 5.3150 5.3150 5.3975 5.3975 5.5031 5.5032 8.2953 8.2953 8.3146 8.3146 8.8238 8.8238 8.9923 8.9923 9.1387 9.1387 9.1969 9.1969 9.8522 9.8522 9.9399 9.9399 k = 0.2024 0.2862 0.6124 ( 7700 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7429 -5.7429 -5.5701 -5.5701 -5.5385 -5.5385 -5.5115 -5.5115 -5.3281 -5.3281 -5.3219 -5.3219 -5.2711 -5.2711 -5.1709 -5.1709 -5.0558 -5.0558 -5.0064 -5.0064 -3.1759 -3.1759 -3.1642 -3.1642 -3.1562 -3.1562 -3.1233 -3.1233 -3.1166 -3.1166 -3.1129 -3.1129 -3.0717 -3.0717 -3.0589 -3.0589 -3.0226 -3.0226 0.9767 0.9767 1.0652 1.0652 1.1804 1.1804 2.7892 2.7892 3.2325 3.2325 3.2550 3.2550 3.7347 3.7347 3.7915 3.7915 3.8253 3.8253 4.6677 4.6677 4.8261 4.8261 4.9441 4.9441 5.2958 5.2958 5.3809 5.3809 5.5291 5.5291 8.2798 8.2798 8.3131 8.3131 8.7648 8.7648 8.9819 8.9819 9.1557 9.1557 9.2398 9.2398 9.8277 9.8277 9.9420 9.9420 k = 0.1905 0.2694 0.6124 ( 7712 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7454 -5.7454 -5.5729 -5.5729 -5.5349 -5.5349 -5.5108 -5.5108 -5.3287 -5.3287 -5.3209 -5.3209 -5.2731 -5.2731 -5.1700 -5.1700 -5.0602 -5.0602 -5.0003 -5.0003 -3.1787 -3.1787 -3.1642 -3.1642 -3.1546 -3.1546 -3.1243 -3.1243 -3.1164 -3.1164 -3.1125 -3.1125 -3.0724 -3.0724 -3.0571 -3.0571 -3.0219 -3.0219 0.9555 0.9555 1.0617 1.0617 1.2087 1.2088 2.7831 2.7831 3.2301 3.2301 3.2610 3.2610 3.7337 3.7337 3.7898 3.7898 3.8421 3.8421 4.6340 4.6340 4.8323 4.8323 4.9727 4.9727 5.2770 5.2770 5.3612 5.3612 5.5554 5.5554 8.2606 8.2606 8.3109 8.3109 8.7046 8.7046 8.9717 8.9717 9.1731 9.1731 9.2814 9.2814 9.8058 9.8058 9.9431 9.9431 k = 0.1786 0.2525 0.6124 ( 7726 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1206 -26.1206 -26.1206 -26.1206 -5.7482 -5.7482 -5.5753 -5.5753 -5.5322 -5.5322 -5.5094 -5.5094 -5.3292 -5.3292 -5.3199 -5.3199 -5.2753 -5.2753 -5.1695 -5.1695 -5.0635 -5.0635 -4.9943 -4.9943 -3.1815 -3.1815 -3.1642 -3.1642 -3.1531 -3.1531 -3.1254 -3.1254 -3.1161 -3.1161 -3.1124 -3.1124 -3.0728 -3.0728 -3.0553 -3.0553 -3.0210 -3.0210 0.9355 0.9355 1.0575 1.0575 1.2373 1.2373 2.7750 2.7750 3.2276 3.2276 3.2705 3.2705 3.7318 3.7318 3.7875 3.7875 3.8614 3.8614 4.6001 4.6001 4.8399 4.8399 5.0003 5.0003 5.2590 5.2590 5.3387 5.3387 5.5815 5.5815 8.2382 8.2382 8.3077 8.3077 8.6442 8.6442 8.9631 8.9631 9.1903 9.1903 9.3203 9.3203 9.7876 9.7876 9.9435 9.9435 k = 0.1667 0.2357 0.6124 ( 7730 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7514 -5.7514 -5.5774 -5.5774 -5.5306 -5.5306 -5.5069 -5.5069 -5.3297 -5.3297 -5.3188 -5.3188 -5.2774 -5.2774 -5.1698 -5.1698 -5.0657 -5.0657 -4.9887 -4.9887 -3.1842 -3.1842 -3.1642 -3.1642 -3.1519 -3.1519 -3.1264 -3.1264 -3.1158 -3.1158 -3.1125 -3.1125 -3.0728 -3.0728 -3.0536 -3.0536 -3.0201 -3.0201 0.9168 0.9168 1.0529 1.0529 1.2658 1.2658 2.7648 2.7648 3.2248 3.2248 3.2842 3.2842 3.7292 3.7292 3.7844 3.7844 3.8820 3.8820 4.5665 4.5665 4.8485 4.8485 5.0267 5.0267 5.2420 5.2420 5.3142 5.3142 5.6069 5.6069 8.2130 8.2130 8.3033 8.3033 8.5845 8.5845 8.9570 8.9570 9.2069 9.2069 9.3560 9.3560 9.7734 9.7734 9.9431 9.9431 k = 0.1548 0.2189 0.6124 ( 7746 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.7548 -5.7548 -5.5792 -5.5792 -5.5301 -5.5301 -5.5036 -5.5036 -5.3302 -5.3302 -5.3177 -5.3177 -5.2793 -5.2793 -5.1711 -5.1711 -5.0667 -5.0667 -4.9833 -4.9833 -3.1869 -3.1869 -3.1643 -3.1643 -3.1508 -3.1508 -3.1273 -3.1273 -3.1155 -3.1155 -3.1130 -3.1130 -3.0724 -3.0724 -3.0519 -3.0519 -3.0191 -3.0191 0.8992 0.8992 1.0480 1.0480 1.2941 1.2941 2.7527 2.7527 3.2216 3.2216 3.3024 3.3024 3.7261 3.7261 3.7805 3.7805 3.9028 3.9028 4.5335 4.5335 4.8579 4.8579 5.0517 5.0517 5.2251 5.2251 5.2889 5.2889 5.6314 5.6314 8.1854 8.1854 8.2977 8.2977 8.5266 8.5266 8.9539 8.9539 9.2226 9.2226 9.3881 9.3881 9.7630 9.7630 9.9418 9.9418 k = 0.1429 0.2020 0.6124 ( 7742 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7583 -5.7583 -5.5807 -5.5807 -5.5304 -5.5304 -5.4996 -5.4996 -5.3307 -5.3307 -5.3167 -5.3167 -5.2810 -5.2810 -5.1735 -5.1735 -5.0664 -5.0664 -4.9784 -4.9784 -3.1895 -3.1895 -3.1643 -3.1643 -3.1498 -3.1498 -3.1282 -3.1282 -3.1152 -3.1152 -3.1136 -3.1136 -3.0717 -3.0717 -3.0503 -3.0503 -3.0181 -3.0181 0.8829 0.8829 1.0428 1.0428 1.3220 1.3220 2.7391 2.7391 3.2181 3.2181 3.3251 3.3251 3.7228 3.7228 3.7760 3.7760 3.9229 3.9229 4.5016 4.5016 4.8679 4.8679 5.0751 5.0751 5.2071 5.2071 5.2653 5.2653 5.6548 5.6548 8.1560 8.1560 8.2905 8.2905 8.4713 8.4713 8.9542 8.9542 9.2371 9.2371 9.4167 9.4167 9.7559 9.7559 9.9395 9.9395 k = 0.1310 0.1852 0.6124 ( 7740 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7619 -5.7619 -5.5820 -5.5820 -5.5312 -5.5312 -5.4953 -5.4953 -5.3312 -5.3312 -5.3157 -5.3157 -5.2822 -5.2822 -5.1768 -5.1768 -5.0651 -5.0651 -4.9738 -4.9738 -3.1919 -3.1919 -3.1643 -3.1643 -3.1490 -3.1490 -3.1290 -3.1290 -3.1152 -3.1152 -3.1141 -3.1141 -3.0707 -3.0707 -3.0487 -3.0487 -3.0171 -3.0171 0.8679 0.8679 1.0375 1.0375 1.3492 1.3492 2.7244 2.7244 3.2144 3.2144 3.3520 3.3520 3.7192 3.7192 3.7708 3.7708 3.9414 3.9414 4.4710 4.4710 4.8782 4.8782 5.0966 5.0966 5.1859 5.1859 5.2460 5.2460 5.6768 5.6768 8.1250 8.1250 8.2817 8.2817 8.4200 8.4200 8.9580 8.9580 9.2502 9.2502 9.4419 9.4419 9.7516 9.7516 9.9358 9.9358 k = 0.1190 0.1684 0.6124 ( 7746 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.7655 -5.7655 -5.5830 -5.5830 -5.5323 -5.5323 -5.4910 -5.4910 -5.3316 -5.3316 -5.3148 -5.3148 -5.2830 -5.2830 -5.1809 -5.1809 -5.0629 -5.0629 -4.9696 -4.9696 -3.1942 -3.1942 -3.1644 -3.1644 -3.1484 -3.1484 -3.1297 -3.1297 -3.1159 -3.1159 -3.1140 -3.1140 -3.0696 -3.0696 -3.0472 -3.0472 -3.0162 -3.0162 0.8542 0.8542 1.0323 1.0323 1.3754 1.3754 2.7092 2.7092 3.2106 3.2106 3.3826 3.3826 3.7155 3.7155 3.7651 3.7651 3.9575 3.9575 4.4421 4.4421 4.8885 4.8885 5.1146 5.1146 5.1622 5.1622 5.2324 5.2324 5.6972 5.6972 8.0929 8.0929 8.2708 8.2708 8.3740 8.3740 8.9653 8.9653 9.2619 9.2619 9.4639 9.4639 9.7493 9.7493 9.9305 9.9305 k = 0.1071 0.1515 0.6124 ( 7738 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7689 -5.7689 -5.5838 -5.5838 -5.5336 -5.5336 -5.4867 -5.4867 -5.3320 -5.3320 -5.3141 -5.3141 -5.2833 -5.2833 -5.1857 -5.1857 -5.0602 -5.0602 -4.9659 -4.9658 -3.1964 -3.1964 -3.1645 -3.1645 -3.1478 -3.1478 -3.1303 -3.1303 -3.1170 -3.1170 -3.1137 -3.1137 -3.0685 -3.0685 -3.0458 -3.0458 -3.0153 -3.0153 0.8417 0.8417 1.0271 1.0271 1.4004 1.4004 2.6940 2.6940 3.2068 3.2068 3.4162 3.4162 3.7118 3.7118 3.7593 3.7593 3.9706 3.9706 4.4152 4.4152 4.8986 4.8986 5.1181 5.1181 5.1486 5.1486 5.2236 5.2236 5.7160 5.7160 8.0603 8.0603 8.2568 8.2568 8.3351 8.3351 8.9756 8.9756 9.2721 9.2721 9.4826 9.4826 9.7483 9.7483 9.9234 9.9234 k = 0.0952 0.1347 0.6124 ( 7738 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7722 -5.7722 -5.5844 -5.5844 -5.5350 -5.5350 -5.4827 -5.4827 -5.3324 -5.3324 -5.3136 -5.3136 -5.2829 -5.2829 -5.1910 -5.1910 -5.0570 -5.0570 -4.9625 -4.9625 -3.1984 -3.1984 -3.1646 -3.1646 -3.1473 -3.1473 -3.1308 -3.1308 -3.1181 -3.1181 -3.1134 -3.1134 -3.0672 -3.0672 -3.0444 -3.0444 -3.0145 -3.0145 0.8306 0.8306 1.0222 1.0222 1.4238 1.4238 2.6791 2.6791 3.2032 3.2032 3.4521 3.4521 3.7080 3.7080 3.7534 3.7534 3.9799 3.9799 4.3905 4.3905 4.9081 4.9081 5.0956 5.0957 5.1584 5.1584 5.2183 5.2183 5.7331 5.7331 8.0278 8.0278 8.2386 8.2386 8.3051 8.3051 8.9888 8.9888 9.2810 9.2810 9.4981 9.4981 9.7482 9.7482 9.9147 9.9147 k = 0.0833 0.1179 0.6124 ( 7750 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.7753 -5.7753 -5.5849 -5.5849 -5.5364 -5.5364 -5.4790 -5.4790 -5.3328 -5.3328 -5.3133 -5.3133 -5.2820 -5.2820 -5.1965 -5.1965 -5.0537 -5.0537 -4.9596 -4.9596 -3.2002 -3.2002 -3.1647 -3.1647 -3.1470 -3.1470 -3.1312 -3.1312 -3.1193 -3.1193 -3.1130 -3.1130 -3.0661 -3.0661 -3.0431 -3.0431 -3.0138 -3.0138 0.8207 0.8207 1.0177 1.0177 1.4455 1.4455 2.6651 2.6651 3.1997 3.1997 3.4894 3.4894 3.7044 3.7044 3.7479 3.7479 3.9850 3.9850 4.3684 4.3684 4.9167 4.9167 5.0690 5.0690 5.1713 5.1713 5.2156 5.2156 5.7482 5.7482 7.9963 7.9963 8.2165 8.2165 8.2843 8.2843 9.0040 9.0040 9.2885 9.2885 9.5102 9.5102 9.7486 9.7486 9.9046 9.9046 k = 0.0714 0.1010 0.6124 ( 7742 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7780 -5.7780 -5.5852 -5.5852 -5.5377 -5.5377 -5.4756 -5.4756 -5.3332 -5.3332 -5.3131 -5.3131 -5.2806 -5.2806 -5.2020 -5.2020 -5.0505 -5.0505 -4.9571 -4.9571 -3.2018 -3.2018 -3.1647 -3.1647 -3.1467 -3.1467 -3.1315 -3.1315 -3.1204 -3.1204 -3.1127 -3.1127 -3.0650 -3.0650 -3.0420 -3.0420 -3.0132 -3.0132 0.8122 0.8122 1.0136 1.0136 1.4650 1.4650 2.6523 2.6523 3.1965 3.1965 3.5269 3.5269 3.7011 3.7011 3.7430 3.7430 3.9857 3.9857 4.3490 4.3490 4.9239 4.9239 5.0441 5.0441 5.1824 5.1824 5.2153 5.2153 5.7615 5.7615 7.9666 7.9666 8.1935 8.1935 8.2699 8.2699 9.0206 9.0206 9.2947 9.2947 9.5189 9.5189 9.7490 9.7490 9.8939 9.8939 k = 0.0595 0.0842 0.6124 ( 7742 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7805 -5.7805 -5.5854 -5.5854 -5.5389 -5.5389 -5.4727 -5.4727 -5.3335 -5.3335 -5.3131 -5.3131 -5.2787 -5.2787 -5.2074 -5.2074 -5.0475 -5.0475 -4.9550 -4.9550 -3.2031 -3.2031 -3.1648 -3.1648 -3.1464 -3.1464 -3.1317 -3.1317 -3.1214 -3.1214 -3.1125 -3.1125 -3.0640 -3.0640 -3.0409 -3.0409 -3.0126 -3.0126 0.8050 0.8050 1.0099 1.0099 1.4821 1.4821 2.6410 2.6410 3.1937 3.1937 3.5631 3.5631 3.6988 3.6988 3.7390 3.7390 3.9819 3.9819 4.3325 4.3325 4.9291 4.9291 5.0228 5.0228 5.1907 5.1907 5.2172 5.2172 5.7728 5.7728 7.9396 7.9396 8.1723 8.1723 8.2594 8.2594 9.0377 9.0377 9.2999 9.2999 9.5242 9.5242 9.7491 9.7491 9.8837 9.8837 k = 0.0476 0.0673 0.6124 ( 7752 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.7825 -5.7825 -5.5856 -5.5856 -5.5399 -5.5399 -5.4703 -5.4703 -5.3338 -5.3338 -5.3131 -5.3131 -5.2766 -5.2766 -5.2124 -5.2124 -5.0449 -5.0449 -4.9534 -4.9534 -3.2042 -3.2042 -3.1649 -3.1649 -3.1462 -3.1462 -3.1319 -3.1319 -3.1223 -3.1223 -3.1123 -3.1123 -3.0632 -3.0632 -3.0401 -3.0401 -3.0122 -3.0122 0.7991 0.7991 1.0069 1.0069 1.4965 1.4965 2.6315 2.6315 3.1913 3.1913 3.5959 3.5959 3.6983 3.6983 3.7362 3.7362 3.9742 3.9742 4.3189 4.3190 4.9318 4.9318 5.0063 5.0063 5.1958 5.1958 5.2209 5.2209 5.7821 5.7821 7.9163 7.9163 8.1542 8.1542 8.2513 8.2513 9.0541 9.0541 9.3040 9.3040 9.5264 9.5264 9.7487 9.7487 9.8749 9.8749 k = 0.0357 0.0505 0.6124 ( 7744 PWs) bands (ev): -61.9839 -61.9839 -34.8386 -34.8386 -26.1207 -26.1207 -26.1206 -26.1206 -5.7841 -5.7841 -5.5857 -5.5857 -5.5408 -5.5408 -5.4683 -5.4683 -5.3340 -5.3340 -5.3132 -5.3132 -5.2745 -5.2745 -5.2168 -5.2168 -5.0427 -5.0427 -4.9521 -4.9521 -3.2051 -3.2051 -3.1650 -3.1650 -3.1461 -3.1461 -3.1320 -3.1320 -3.1231 -3.1231 -3.1121 -3.1121 -3.0625 -3.0625 -3.0393 -3.0393 -3.0119 -3.0119 0.7945 0.7945 1.0044 1.0044 1.5080 1.5080 2.6239 2.6239 3.1893 3.1893 3.6221 3.6221 3.7010 3.7010 3.7350 3.7350 3.9637 3.9637 4.3084 4.3084 4.9318 4.9318 4.9954 4.9954 5.1988 5.1988 5.2253 5.2253 5.7894 5.7894 7.8974 7.8974 8.1400 8.1400 8.2453 8.2453 9.0689 9.0689 9.3072 9.3072 9.5264 9.5264 9.7478 9.7478 9.8681 9.8681 k = 0.0238 0.0337 0.6124 ( 7754 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.7853 -5.7853 -5.5858 -5.5858 -5.5414 -5.5414 -5.4669 -5.4669 -5.3342 -5.3342 -5.3133 -5.3133 -5.2726 -5.2726 -5.2204 -5.2204 -5.0411 -5.0411 -4.9512 -4.9512 -3.2057 -3.2057 -3.1651 -3.1651 -3.1460 -3.1460 -3.1320 -3.1320 -3.1237 -3.1237 -3.1120 -3.1120 -3.0620 -3.0620 -3.0388 -3.0388 -3.0117 -3.0117 0.7912 0.7912 1.0027 1.0027 1.5163 1.5163 2.6183 2.6183 3.1879 3.1879 3.6387 3.6387 3.7068 3.7068 3.7364 3.7364 3.9523 3.9523 4.3009 4.3009 4.9297 4.9297 4.9894 4.9894 5.2005 5.2005 5.2290 5.2290 5.7946 5.7946 7.8835 7.8835 8.1297 8.1297 8.2410 8.2410 9.0806 9.0806 9.3094 9.3094 9.5251 9.5251 9.7467 9.7467 9.8636 9.8636 k = 0.0119 0.0168 0.6124 ( 7758 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.7860 -5.7860 -5.5858 -5.5858 -5.5418 -5.5418 -5.4661 -5.4661 -5.3343 -5.3343 -5.3133 -5.3133 -5.2713 -5.2713 -5.2227 -5.2227 -5.0401 -5.0401 -4.9506 -4.9506 -3.2061 -3.2061 -3.1651 -3.1651 -3.1460 -3.1460 -3.1320 -3.1320 -3.1240 -3.1240 -3.1119 -3.1119 -3.0617 -3.0617 -3.0385 -3.0385 -3.0115 -3.0115 0.7893 0.7893 1.0016 1.0016 1.5214 1.5214 2.6150 2.6150 3.1871 3.1871 3.6464 3.6464 3.7119 3.7119 3.7401 3.7401 3.9431 3.9431 4.2963 4.2963 4.9275 4.9275 4.9868 4.9868 5.2013 5.2013 5.2315 5.2315 5.7977 5.7977 7.8750 7.8750 8.1236 8.1236 8.2385 8.2385 9.0883 9.0883 9.3107 9.3107 9.5237 9.5237 9.7458 9.7458 9.8610 9.8610 k = 0.0000 0.0000 0.6124 ( 7750 PWs) bands (ev): -61.9839 -61.9839 -34.8387 -34.8387 -26.1207 -26.1207 -26.1206 -26.1206 -5.7862 -5.7862 -5.5858 -5.5858 -5.5419 -5.5419 -5.4658 -5.4658 -5.3343 -5.3343 -5.3134 -5.3134 -5.2708 -5.2708 -5.2235 -5.2235 -5.0397 -5.0397 -4.9504 -4.9504 -3.2063 -3.2063 -3.1651 -3.1651 -3.1459 -3.1459 -3.1320 -3.1320 -3.1241 -3.1241 -3.1119 -3.1119 -3.0616 -3.0616 -3.0384 -3.0384 -3.0115 -3.0115 0.7886 0.7886 1.0012 1.0012 1.5231 1.5231 2.6138 2.6138 3.1868 3.1868 3.6485 3.6485 3.7136 3.7136 3.7425 3.7425 3.9394 3.9394 4.2948 4.2948 4.9265 4.9265 4.9861 4.9861 5.2016 5.2016 5.2323 5.2323 5.7988 5.7988 7.8721 7.8721 8.1215 8.1215 8.2376 8.2376 9.0909 9.0909 9.3112 9.3112 9.5232 9.5232 9.7454 9.7454 9.8602 9.8602 Writing output data file TaTl3S4.save init_run : 4.85s CPU 13.88s WALL ( 1 calls) electrons : 1211.21s CPU 1220.15s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.25s CPU 1.48s WALL ( 1 calls) Called by electrons: c_bands : 1211.18s CPU 1219.91s WALL ( 1 calls) v_of_rho : 0.05s CPU 0.93s WALL ( 1 calls) v_h : 0.01s CPU 0.04s WALL ( 1 calls) v_xc : 0.04s CPU 0.64s WALL ( 1 calls) newd : 0.74s CPU 1.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.10s CPU 0.20s WALL ( 198 calls) cegterg : 1135.89s CPU 1142.46s WALL ( 297 calls) Called by sum_band: Called by *egterg: h_psi : 519.18s CPU 523.88s WALL ( 4574 calls) s_psi : 68.97s CPU 69.21s WALL ( 4574 calls) g_psi : 1.03s CPU 1.07s WALL ( 4079 calls) cdiaghg : 408.48s CPU 408.11s WALL ( 4277 calls) cegterg:over : 96.89s CPU 96.35s WALL ( 4079 calls) cegterg:upda : 34.22s CPU 35.02s WALL ( 4079 calls) cegterg:last : 26.34s CPU 26.56s WALL ( 891 calls) Called by h_psi: h_psi:vloc : 393.43s CPU 396.45s WALL ( 4574 calls) h_psi:vnl : 124.97s CPU 126.21s WALL ( 4574 calls) add_vuspsi : 52.61s CPU 54.12s WALL ( 4574 calls) General routines calbec : 72.31s CPU 72.01s WALL ( 4574 calls) fft : 0.22s CPU 1.30s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 373.78s CPU 373.27s WALL ( 1065596 calls) interpolate : 0.06s CPU 0.06s WALL ( 4 calls) davcio : 0.03s CPU 1.82s WALL ( 396 calls) Parallel routines fft_scatter : 216.33s CPU 213.86s WALL ( 1065619 calls) PWSCF : 21m26.40s CPU 23m21.70s WALL This run was terminated on: 0:22: 4 1Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=