Program PWSCF v.5.1.1 starts on 27Oct2015 at 23:37:48 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: ./Al2CdS4.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 149 37 10 5968 738 114 Max 150 38 11 5972 764 118 Sum 7199 1807 509 286605 35935 5537 bravais-lattice index = 14 lattice parameter (alat) = 12.0901 a.u. unit-cell volume = 1050.9136 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.090138 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.623425 celldm(5)= -0.623425 celldm(6)= 0.246851 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.246851 0.969054 0.000000 ) a(3) = ( -0.623425 -0.484527 0.613657 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.254734 0.814788 ) b(2) = ( 0.000000 1.031935 0.814788 ) b(3) = ( 0.000000 0.000000 1.629575 ) 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 Cd read from file: /home/autes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 Al read from file: /home/autes/Pseudo/Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d344aa71f13a435d235890da883ec65e Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 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) Cd 12.00 112.41100 Cd( 1.00) Al 3.00 26.98150 Al( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 285 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 2) = ( 0.0000000 0.0000000 0.0198729), wk = 0.0035088 k( 3) = ( 0.0000000 0.0000000 0.0397457), wk = 0.0035088 k( 4) = ( 0.0000000 0.0000000 0.0596186), wk = 0.0035088 k( 5) = ( 0.0000000 0.0000000 0.0794915), wk = 0.0035088 k( 6) = ( 0.0000000 0.0000000 0.0993644), wk = 0.0035088 k( 7) = ( 0.0000000 0.0000000 0.1192372), wk = 0.0035088 k( 8) = ( 0.0000000 0.0000000 0.1391101), wk = 0.0035088 k( 9) = ( 0.0000000 0.0000000 0.1589830), wk = 0.0035088 k( 10) = ( 0.0000000 0.0000000 0.1788559), wk = 0.0035088 k( 11) = ( 0.0000000 0.0000000 0.1987287), wk = 0.0035088 k( 12) = ( 0.0000000 0.0000000 0.2186016), wk = 0.0035088 k( 13) = ( 0.0000000 0.0000000 0.2384745), wk = 0.0035088 k( 14) = ( 0.0000000 0.0000000 0.2583473), wk = 0.0035088 k( 15) = ( 0.0000000 0.0000000 0.2782202), wk = 0.0035088 k( 16) = ( 0.0000000 0.0000000 0.2980931), wk = 0.0035088 k( 17) = ( 0.0000000 0.0000000 0.3179659), wk = 0.0035088 k( 18) = ( 0.0000000 0.0000000 0.3378388), wk = 0.0035088 k( 19) = ( 0.0000000 0.0000000 0.3577117), wk = 0.0035088 k( 20) = ( 0.0000000 0.0000000 0.3775846), wk = 0.0035088 k( 21) = ( 0.0000000 0.0000000 0.3974574), wk = 0.0035088 k( 22) = ( 0.0000000 0.0000000 0.4173303), wk = 0.0035088 k( 23) = ( 0.0000000 0.0000000 0.4372032), wk = 0.0035088 k( 24) = ( 0.0000000 0.0000000 0.4570760), wk = 0.0035088 k( 25) = ( 0.0000000 0.0000000 0.4769489), wk = 0.0035088 k( 26) = ( 0.0000000 0.0000000 0.4968218), wk = 0.0035088 k( 27) = ( 0.0000000 0.0000000 0.5166947), wk = 0.0035088 k( 28) = ( 0.0000000 0.0000000 0.5365675), wk = 0.0035088 k( 29) = ( 0.0000000 0.0000000 0.5564404), wk = 0.0035088 k( 30) = ( 0.0000000 0.0000000 0.5763133), wk = 0.0035088 k( 31) = ( 0.0000000 0.0000000 0.5961862), wk = 0.0035088 k( 32) = ( 0.0000000 0.0000000 0.6160590), wk = 0.0035088 k( 33) = ( 0.0000000 0.0000000 0.6359319), wk = 0.0035088 k( 34) = ( 0.0000000 0.0000000 0.6558048), wk = 0.0035088 k( 35) = ( 0.0000000 0.0000000 0.6756777), wk = 0.0035088 k( 36) = ( 0.0000000 0.0000000 0.6955505), wk = 0.0035088 k( 37) = ( 0.0000000 0.0000000 0.7154234), wk = 0.0035088 k( 38) = ( 0.0000000 0.0000000 0.7352963), wk = 0.0035088 k( 39) = ( 0.0000000 0.0000000 0.7551691), wk = 0.0035088 k( 40) = ( 0.0000000 0.0000000 0.7750420), wk = 0.0035088 k( 41) = ( 0.0000000 0.0000000 0.7949149), wk = 0.0035088 k( 42) = ( 0.0000000 0.0000000 0.8147877), wk = 0.0035088 k( 43) = ( 0.0000000 0.0000000 0.8147877), wk = 0.0035088 k( 44) = ( -0.0116162 0.0149462 0.8147877), wk = 0.0035088 k( 45) = ( -0.0232323 0.0298923 0.8147877), wk = 0.0035088 k( 46) = ( -0.0348485 0.0448385 0.8147877), wk = 0.0035088 k( 47) = ( -0.0464647 0.0597847 0.8147877), wk = 0.0035088 k( 48) = ( -0.0580809 0.0747308 0.8147877), wk = 0.0035088 k( 49) = ( -0.0696971 0.0896770 0.8147877), wk = 0.0035088 k( 50) = ( -0.0813132 0.1046232 0.8147877), wk = 0.0035088 k( 51) = ( -0.0929294 0.1195694 0.8147877), wk = 0.0035088 k( 52) = ( -0.1045456 0.1345155 0.8147877), wk = 0.0035088 k( 53) = ( -0.1161618 0.1494617 0.8147877), wk = 0.0035088 k( 54) = ( -0.1277779 0.1644079 0.8147877), wk = 0.0035088 k( 55) = ( -0.1393941 0.1793540 0.8147877), wk = 0.0035088 k( 56) = ( -0.1510103 0.1943002 0.8147877), wk = 0.0035088 k( 57) = ( -0.1510103 0.1943002 0.8147877), wk = 0.0035088 k( 58) = ( -0.1597350 0.2055261 0.8005701), wk = 0.0035088 k( 59) = ( -0.1684598 0.2167519 0.7863525), wk = 0.0035088 k( 60) = ( -0.1771845 0.2279778 0.7721349), wk = 0.0035088 k( 61) = ( -0.1859093 0.2392036 0.7579172), wk = 0.0035088 k( 62) = ( -0.1946340 0.2504295 0.7436996), wk = 0.0035088 k( 63) = ( -0.2033588 0.2616553 0.7294820), wk = 0.0035088 k( 64) = ( -0.2120835 0.2728812 0.7152644), wk = 0.0035088 k( 65) = ( -0.2208082 0.2841070 0.7010467), wk = 0.0035088 k( 66) = ( -0.2295330 0.2953329 0.6868291), wk = 0.0035088 k( 67) = ( -0.2382577 0.3065587 0.6726115), wk = 0.0035088 k( 68) = ( -0.2469825 0.3177846 0.6583939), wk = 0.0035088 k( 69) = ( -0.2557072 0.3290104 0.6441762), wk = 0.0035088 k( 70) = ( -0.2644320 0.3402363 0.6299586), wk = 0.0035088 k( 71) = ( -0.2731567 0.3514622 0.6157410), wk = 0.0035088 k( 72) = ( -0.2818814 0.3626880 0.6015233), wk = 0.0035088 k( 73) = ( -0.2906062 0.3739139 0.5873057), wk = 0.0035088 k( 74) = ( -0.2993309 0.3851397 0.5730881), wk = 0.0035088 k( 75) = ( -0.3080557 0.3963656 0.5588705), wk = 0.0035088 k( 76) = ( -0.3167804 0.4075914 0.5446528), wk = 0.0035088 k( 77) = ( -0.3255052 0.4188173 0.5304352), wk = 0.0035088 k( 78) = ( -0.3255052 0.4188173 0.5304352), wk = 0.0035088 k( 79) = ( -0.3167077 0.4074979 0.5160991), wk = 0.0035088 k( 80) = ( -0.3079103 0.3961785 0.5017630), wk = 0.0035088 k( 81) = ( -0.2991128 0.3848591 0.4874270), wk = 0.0035088 k( 82) = ( -0.2903154 0.3735397 0.4730909), wk = 0.0035088 k( 83) = ( -0.2815180 0.3622203 0.4587548), wk = 0.0035088 k( 84) = ( -0.2727205 0.3509010 0.4444187), wk = 0.0035088 k( 85) = ( -0.2639231 0.3395816 0.4300826), wk = 0.0035088 k( 86) = ( -0.2551257 0.3282622 0.4157465), wk = 0.0035088 k( 87) = ( -0.2463282 0.3169428 0.4014104), wk = 0.0035088 k( 88) = ( -0.2375308 0.3056234 0.3870743), wk = 0.0035088 k( 89) = ( -0.2287334 0.2943040 0.3727383), wk = 0.0035088 k( 90) = ( -0.2199359 0.2829846 0.3584022), wk = 0.0035088 k( 91) = ( -0.2111385 0.2716653 0.3440661), wk = 0.0035088 k( 92) = ( -0.2023410 0.2603459 0.3297300), wk = 0.0035088 k( 93) = ( -0.1935436 0.2490265 0.3153939), wk = 0.0035088 k( 94) = ( -0.1847462 0.2377071 0.3010578), wk = 0.0035088 k( 95) = ( -0.1759487 0.2263877 0.2867217), wk = 0.0035088 k( 96) = ( -0.1671513 0.2150683 0.2723856), wk = 0.0035088 k( 97) = ( -0.1583538 0.2037489 0.2580496), wk = 0.0035088 k( 98) = ( -0.1495564 0.1924296 0.2437135), wk = 0.0035088 k( 99) = ( -0.1407590 0.1811102 0.2293774), wk = 0.0035088 k( 100) = ( -0.1319616 0.1697908 0.2150413), wk = 0.0035088 k( 101) = ( -0.1231641 0.1584714 0.2007052), wk = 0.0035088 k( 102) = ( -0.1143667 0.1471520 0.1863691), wk = 0.0035088 k( 103) = ( -0.1055692 0.1358326 0.1720330), wk = 0.0035088 k( 104) = ( -0.0967718 0.1245132 0.1576970), wk = 0.0035088 k( 105) = ( -0.0879744 0.1131939 0.1433609), wk = 0.0035088 k( 106) = ( -0.0791769 0.1018745 0.1290248), wk = 0.0035088 k( 107) = ( -0.0703795 0.0905551 0.1146887), wk = 0.0035088 k( 108) = ( -0.0615820 0.0792357 0.1003526), wk = 0.0035088 k( 109) = ( -0.0527846 0.0679163 0.0860165), wk = 0.0035088 k( 110) = ( -0.0439872 0.0565969 0.0716804), wk = 0.0035088 k( 111) = ( -0.0351897 0.0452775 0.0573444), wk = 0.0035088 k( 112) = ( -0.0263923 0.0339582 0.0430083), wk = 0.0035088 k( 113) = ( -0.0175949 0.0226388 0.0286722), wk = 0.0035088 k( 114) = ( -0.0087974 0.0113194 0.0143361), wk = 0.0035088 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 117) = ( 0.0156250 0.0121438 0.0000000), wk = 0.0035088 k( 118) = ( 0.0312500 0.0242875 0.0000000), wk = 0.0035088 k( 119) = ( 0.0468750 0.0364313 0.0000000), wk = 0.0035088 k( 120) = ( 0.0625000 0.0485751 0.0000000), wk = 0.0035088 k( 121) = ( 0.0781250 0.0607188 0.0000000), wk = 0.0035088 k( 122) = ( 0.0937500 0.0728626 0.0000000), wk = 0.0035088 k( 123) = ( 0.1093750 0.0850063 0.0000000), wk = 0.0035088 k( 124) = ( 0.1250000 0.0971501 0.0000000), wk = 0.0035088 k( 125) = ( 0.1406250 0.1092939 0.0000000), wk = 0.0035088 k( 126) = ( 0.1562500 0.1214376 0.0000000), wk = 0.0035088 k( 127) = ( 0.1718750 0.1335814 0.0000000), wk = 0.0035088 k( 128) = ( 0.1875000 0.1457252 0.0000000), wk = 0.0035088 k( 129) = ( 0.2031250 0.1578689 0.0000000), wk = 0.0035088 k( 130) = ( 0.2187500 0.1700127 0.0000000), wk = 0.0035088 k( 131) = ( 0.2343750 0.1821565 0.0000000), wk = 0.0035088 k( 132) = ( 0.2500000 0.1943002 0.0000000), wk = 0.0035088 k( 133) = ( 0.2656250 0.2064440 0.0000000), wk = 0.0035088 k( 134) = ( 0.2812500 0.2185877 0.0000000), wk = 0.0035088 k( 135) = ( 0.2968750 0.2307315 0.0000000), wk = 0.0035088 k( 136) = ( 0.3125000 0.2428753 0.0000000), wk = 0.0035088 k( 137) = ( 0.3281250 0.2550190 0.0000000), wk = 0.0035088 k( 138) = ( 0.3437500 0.2671628 0.0000000), wk = 0.0035088 k( 139) = ( 0.3593750 0.2793066 0.0000000), wk = 0.0035088 k( 140) = ( 0.3750000 0.2914503 0.0000000), wk = 0.0035088 k( 141) = ( 0.3906250 0.3035941 0.0000000), wk = 0.0035088 k( 142) = ( 0.4062500 0.3157378 0.0000000), wk = 0.0035088 k( 143) = ( 0.4218750 0.3278816 0.0000000), wk = 0.0035088 k( 144) = ( 0.4375000 0.3400254 0.0000000), wk = 0.0035088 k( 145) = ( 0.4531250 0.3521691 0.0000000), wk = 0.0035088 k( 146) = ( 0.4687500 0.3643129 0.0000000), wk = 0.0035088 k( 147) = ( 0.4843750 0.3764567 0.0000000), wk = 0.0035088 k( 148) = ( 0.5000000 0.3886004 0.0000000), wk = 0.0035088 k( 149) = ( 0.5000000 0.3886004 0.0000000), wk = 0.0035088 k( 150) = ( 0.4912753 0.3998263 0.0142176), wk = 0.0035088 k( 151) = ( 0.4825505 0.4110521 0.0284353), wk = 0.0035088 k( 152) = ( 0.4738258 0.4222780 0.0426529), wk = 0.0035088 k( 153) = ( 0.4651010 0.4335038 0.0568705), wk = 0.0035088 k( 154) = ( 0.4563763 0.4447297 0.0710881), wk = 0.0035088 k( 155) = ( 0.4476515 0.4559556 0.0853058), wk = 0.0035088 k( 156) = ( 0.4389268 0.4671814 0.0995234), wk = 0.0035088 k( 157) = ( 0.4302021 0.4784073 0.1137410), wk = 0.0035088 k( 158) = ( 0.4214773 0.4896331 0.1279586), wk = 0.0035088 k( 159) = ( 0.4127526 0.5008590 0.1421763), wk = 0.0035088 k( 160) = ( 0.4040278 0.5120848 0.1563939), wk = 0.0035088 k( 161) = ( 0.3953031 0.5233107 0.1706115), wk = 0.0035088 k( 162) = ( 0.3865784 0.5345365 0.1848291), wk = 0.0035088 k( 163) = ( 0.3778536 0.5457624 0.1990468), wk = 0.0035088 k( 164) = ( 0.3691289 0.5569882 0.2132644), wk = 0.0035088 k( 165) = ( 0.3604041 0.5682141 0.2274820), wk = 0.0035088 k( 166) = ( 0.3516794 0.5794399 0.2416997), wk = 0.0035088 k( 167) = ( 0.3429546 0.5906658 0.2559173), wk = 0.0035088 k( 168) = ( 0.3342299 0.6018916 0.2701349), wk = 0.0035088 k( 169) = ( 0.3255052 0.6131175 0.2843525), wk = 0.0035088 k( 170) = ( 0.3255052 0.6131175 0.2843525), wk = 0.0035088 k( 171) = ( 0.3074215 0.6077203 0.2911882), wk = 0.0035088 k( 172) = ( 0.2893379 0.6023230 0.2980238), wk = 0.0035088 k( 173) = ( 0.2712543 0.5969258 0.3048594), wk = 0.0035088 k( 174) = ( 0.2531707 0.5915286 0.3116951), wk = 0.0035088 k( 175) = ( 0.2350870 0.5861313 0.3185307), wk = 0.0035088 k( 176) = ( 0.2170034 0.5807341 0.3253663), wk = 0.0035088 k( 177) = ( 0.1989198 0.5753369 0.3322019), wk = 0.0035088 k( 178) = ( 0.1808362 0.5699397 0.3390376), wk = 0.0035088 k( 179) = ( 0.1627526 0.5645424 0.3458732), wk = 0.0035088 k( 180) = ( 0.1446689 0.5591452 0.3527088), wk = 0.0035088 k( 181) = ( 0.1265853 0.5537480 0.3595445), wk = 0.0035088 k( 182) = ( 0.1085017 0.5483508 0.3663801), wk = 0.0035088 k( 183) = ( 0.0904181 0.5429535 0.3732157), wk = 0.0035088 k( 184) = ( 0.0723345 0.5375563 0.3800513), wk = 0.0035088 k( 185) = ( 0.0542509 0.5321591 0.3868870), wk = 0.0035088 k( 186) = ( 0.0361672 0.5267618 0.3937226), wk = 0.0035088 k( 187) = ( 0.0180836 0.5213646 0.4005582), wk = 0.0035088 k( 188) = ( 0.0000000 0.5159674 0.4073939), wk = 0.0035088 k( 189) = ( 0.0000000 0.5159674 0.4073939), wk = 0.0035088 k( 190) = ( 0.0086207 0.5048754 0.4214419), wk = 0.0035088 k( 191) = ( 0.0172414 0.4937834 0.4354900), wk = 0.0035088 k( 192) = ( 0.0258621 0.4826915 0.4495381), wk = 0.0035088 k( 193) = ( 0.0344828 0.4715995 0.4635861), wk = 0.0035088 k( 194) = ( 0.0431035 0.4605075 0.4776342), wk = 0.0035088 k( 195) = ( 0.0517241 0.4494156 0.4916823), wk = 0.0035088 k( 196) = ( 0.0603448 0.4383236 0.5057303), wk = 0.0035088 k( 197) = ( 0.0689655 0.4272316 0.5197784), wk = 0.0035088 k( 198) = ( 0.0775862 0.4161396 0.5338265), wk = 0.0035088 k( 199) = ( 0.0862069 0.4050477 0.5478745), wk = 0.0035088 k( 200) = ( 0.0948276 0.3939557 0.5619226), wk = 0.0035088 k( 201) = ( 0.1034483 0.3828637 0.5759707), wk = 0.0035088 k( 202) = ( 0.1120690 0.3717718 0.5900187), wk = 0.0035088 k( 203) = ( 0.1206897 0.3606798 0.6040668), wk = 0.0035088 k( 204) = ( 0.1293103 0.3495878 0.6181148), wk = 0.0035088 k( 205) = ( 0.1379310 0.3384958 0.6321629), wk = 0.0035088 k( 206) = ( 0.1465517 0.3274039 0.6462110), wk = 0.0035088 k( 207) = ( 0.1551724 0.3163119 0.6602590), wk = 0.0035088 k( 208) = ( 0.1637931 0.3052199 0.6743071), wk = 0.0035088 k( 209) = ( 0.1724138 0.2941280 0.6883552), wk = 0.0035088 k( 210) = ( 0.1810345 0.2830360 0.7024032), wk = 0.0035088 k( 211) = ( 0.1896552 0.2719440 0.7164513), wk = 0.0035088 k( 212) = ( 0.1982759 0.2608520 0.7304994), wk = 0.0035088 k( 213) = ( 0.2068966 0.2497601 0.7445474), wk = 0.0035088 k( 214) = ( 0.2155172 0.2386681 0.7585955), wk = 0.0035088 k( 215) = ( 0.2241379 0.2275761 0.7726436), wk = 0.0035088 k( 216) = ( 0.2327586 0.2164842 0.7866916), wk = 0.0035088 k( 217) = ( 0.2413793 0.2053922 0.8007397), wk = 0.0035088 k( 218) = ( 0.2500000 0.1943002 0.8147877), wk = 0.0035088 k( 219) = ( 0.2500000 0.1943002 0.8147877), wk = 0.0035088 k( 220) = ( 0.2625000 0.2040152 0.8024836), wk = 0.0035088 k( 221) = ( 0.2750000 0.2137302 0.7901795), wk = 0.0035088 k( 222) = ( 0.2875000 0.2234452 0.7778754), wk = 0.0035088 k( 223) = ( 0.3000000 0.2331603 0.7655712), wk = 0.0035088 k( 224) = ( 0.3125000 0.2428753 0.7532671), wk = 0.0035088 k( 225) = ( 0.3250000 0.2525903 0.7409629), wk = 0.0035088 k( 226) = ( 0.3375000 0.2623053 0.7286588), wk = 0.0035088 k( 227) = ( 0.3500000 0.2720203 0.7163547), wk = 0.0035088 k( 228) = ( 0.3625000 0.2817353 0.7040505), wk = 0.0035088 k( 229) = ( 0.3750000 0.2914503 0.6917464), wk = 0.0035088 k( 230) = ( 0.3875000 0.3011653 0.6794423), wk = 0.0035088 k( 231) = ( 0.4000000 0.3108803 0.6671381), wk = 0.0035088 k( 232) = ( 0.4125000 0.3205954 0.6548340), wk = 0.0035088 k( 233) = ( 0.4250000 0.3303104 0.6425299), wk = 0.0035088 k( 234) = ( 0.4375000 0.3400254 0.6302257), wk = 0.0035088 k( 235) = ( 0.4500000 0.3497404 0.6179216), wk = 0.0035088 k( 236) = ( 0.4625000 0.3594554 0.6056175), wk = 0.0035088 k( 237) = ( 0.4750000 0.3691704 0.5933133), wk = 0.0035088 k( 238) = ( 0.4875000 0.3788854 0.5810092), wk = 0.0035088 k( 239) = ( 0.5000000 0.3886004 0.5687051), wk = 0.0035088 k( 240) = ( 0.5000000 0.3886004 0.5687051), wk = 0.0035088 k( 241) = ( 0.5000000 0.3886004 0.5483942), wk = 0.0035088 k( 242) = ( 0.5000000 0.3886004 0.5280833), wk = 0.0035088 k( 243) = ( 0.5000000 0.3886004 0.5077724), wk = 0.0035088 k( 244) = ( 0.5000000 0.3886004 0.4874615), wk = 0.0035088 k( 245) = ( 0.5000000 0.3886004 0.4671506), wk = 0.0035088 k( 246) = ( 0.5000000 0.3886004 0.4468397), wk = 0.0035088 k( 247) = ( 0.5000000 0.3886004 0.4265288), wk = 0.0035088 k( 248) = ( 0.5000000 0.3886004 0.4062179), wk = 0.0035088 k( 249) = ( 0.5000000 0.3886004 0.3859070), wk = 0.0035088 k( 250) = ( 0.5000000 0.3886004 0.3655961), wk = 0.0035088 k( 251) = ( 0.5000000 0.3886004 0.3452852), wk = 0.0035088 k( 252) = ( 0.5000000 0.3886004 0.3249743), wk = 0.0035088 k( 253) = ( 0.5000000 0.3886004 0.3046634), wk = 0.0035088 k( 254) = ( 0.5000000 0.3886004 0.2843525), wk = 0.0035088 k( 255) = ( 0.5000000 0.3886004 0.2640416), wk = 0.0035088 k( 256) = ( 0.5000000 0.3886004 0.2437308), wk = 0.0035088 k( 257) = ( 0.5000000 0.3886004 0.2234199), wk = 0.0035088 k( 258) = ( 0.5000000 0.3886004 0.2031090), wk = 0.0035088 k( 259) = ( 0.5000000 0.3886004 0.1827981), wk = 0.0035088 k( 260) = ( 0.5000000 0.3886004 0.1624872), wk = 0.0035088 k( 261) = ( 0.5000000 0.3886004 0.1421763), wk = 0.0035088 k( 262) = ( 0.5000000 0.3886004 0.1218654), wk = 0.0035088 k( 263) = ( 0.5000000 0.3886004 0.1015545), wk = 0.0035088 k( 264) = ( 0.5000000 0.3886004 0.0812436), wk = 0.0035088 k( 265) = ( 0.5000000 0.3886004 0.0609327), wk = 0.0035088 k( 266) = ( 0.5000000 0.3886004 0.0406218), wk = 0.0035088 k( 267) = ( 0.5000000 0.3886004 0.0203109), wk = 0.0035088 k( 268) = ( 0.5000000 0.3886004 0.0000000), wk = 0.0035088 k( 269) = ( 0.0000000 0.0000000 0.8147877), wk = 0.0035088 k( 270) = ( 0.0156250 0.0121438 0.8147877), wk = 0.0035088 k( 271) = ( 0.0312500 0.0242875 0.8147877), wk = 0.0035088 k( 272) = ( 0.0468750 0.0364313 0.8147877), wk = 0.0035088 k( 273) = ( 0.0625000 0.0485751 0.8147877), wk = 0.0035088 k( 274) = ( 0.0781250 0.0607188 0.8147877), wk = 0.0035088 k( 275) = ( 0.0937500 0.0728626 0.8147877), wk = 0.0035088 k( 276) = ( 0.1093750 0.0850063 0.8147877), wk = 0.0035088 k( 277) = ( 0.1250000 0.0971501 0.8147877), wk = 0.0035088 k( 278) = ( 0.1406250 0.1092939 0.8147877), wk = 0.0035088 k( 279) = ( 0.1562500 0.1214376 0.8147877), wk = 0.0035088 k( 280) = ( 0.1718750 0.1335814 0.8147877), wk = 0.0035088 k( 281) = ( 0.1875000 0.1457252 0.8147877), wk = 0.0035088 k( 282) = ( 0.2031250 0.1578689 0.8147877), wk = 0.0035088 k( 283) = ( 0.2187500 0.1700127 0.8147877), wk = 0.0035088 k( 284) = ( 0.2343750 0.1821565 0.8147877), wk = 0.0035088 k( 285) = ( 0.2500000 0.1943002 0.8147877), wk = 0.0035088 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 2) = ( 0.0000000 0.0000000 0.0121951), wk = 0.0035088 k( 3) = ( 0.0000000 0.0000000 0.0243902), wk = 0.0035088 k( 4) = ( 0.0000000 0.0000000 0.0365854), wk = 0.0035088 k( 5) = ( 0.0000000 0.0000000 0.0487805), wk = 0.0035088 k( 6) = ( 0.0000000 0.0000000 0.0609756), wk = 0.0035088 k( 7) = ( 0.0000000 0.0000000 0.0731707), wk = 0.0035088 k( 8) = ( 0.0000000 0.0000000 0.0853658), wk = 0.0035088 k( 9) = ( 0.0000000 0.0000000 0.0975610), wk = 0.0035088 k( 10) = ( 0.0000000 0.0000000 0.1097561), wk = 0.0035088 k( 11) = ( 0.0000000 0.0000000 0.1219512), wk = 0.0035088 k( 12) = ( 0.0000000 0.0000000 0.1341463), wk = 0.0035088 k( 13) = ( 0.0000000 0.0000000 0.1463415), wk = 0.0035088 k( 14) = ( 0.0000000 0.0000000 0.1585366), wk = 0.0035088 k( 15) = ( 0.0000000 0.0000000 0.1707317), wk = 0.0035088 k( 16) = ( 0.0000000 0.0000000 0.1829268), wk = 0.0035088 k( 17) = ( 0.0000000 0.0000000 0.1951219), wk = 0.0035088 k( 18) = ( 0.0000000 0.0000000 0.2073171), wk = 0.0035088 k( 19) = ( 0.0000000 0.0000000 0.2195122), wk = 0.0035088 k( 20) = ( 0.0000000 0.0000000 0.2317073), wk = 0.0035088 k( 21) = ( 0.0000000 0.0000000 0.2439024), wk = 0.0035088 k( 22) = ( 0.0000000 0.0000000 0.2560976), wk = 0.0035088 k( 23) = ( 0.0000000 0.0000000 0.2682927), wk = 0.0035088 k( 24) = ( 0.0000000 0.0000000 0.2804878), wk = 0.0035088 k( 25) = ( 0.0000000 0.0000000 0.2926829), wk = 0.0035088 k( 26) = ( 0.0000000 0.0000000 0.3048781), wk = 0.0035088 k( 27) = ( 0.0000000 0.0000000 0.3170732), wk = 0.0035088 k( 28) = ( 0.0000000 0.0000000 0.3292683), wk = 0.0035088 k( 29) = ( 0.0000000 0.0000000 0.3414634), wk = 0.0035088 k( 30) = ( 0.0000000 0.0000000 0.3536585), wk = 0.0035088 k( 31) = ( 0.0000000 0.0000000 0.3658537), wk = 0.0035088 k( 32) = ( 0.0000000 0.0000000 0.3780488), wk = 0.0035088 k( 33) = ( 0.0000000 0.0000000 0.3902439), wk = 0.0035088 k( 34) = ( 0.0000000 0.0000000 0.4024390), wk = 0.0035088 k( 35) = ( 0.0000000 0.0000000 0.4146342), wk = 0.0035088 k( 36) = ( 0.0000000 0.0000000 0.4268293), wk = 0.0035088 k( 37) = ( 0.0000000 0.0000000 0.4390244), wk = 0.0035088 k( 38) = ( 0.0000000 0.0000000 0.4512195), wk = 0.0035088 k( 39) = ( 0.0000000 0.0000000 0.4634146), wk = 0.0035088 k( 40) = ( 0.0000000 0.0000000 0.4756098), wk = 0.0035088 k( 41) = ( 0.0000000 0.0000000 0.4878049), wk = 0.0035088 k( 42) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035088 k( 43) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035088 k( 44) = ( -0.0116162 0.0116162 0.5000000), wk = 0.0035088 k( 45) = ( -0.0232323 0.0232323 0.5000000), wk = 0.0035088 k( 46) = ( -0.0348485 0.0348485 0.5000000), wk = 0.0035088 k( 47) = ( -0.0464647 0.0464647 0.5000000), wk = 0.0035088 k( 48) = ( -0.0580809 0.0580809 0.5000000), wk = 0.0035088 k( 49) = ( -0.0696971 0.0696971 0.5000000), wk = 0.0035088 k( 50) = ( -0.0813132 0.0813132 0.5000000), wk = 0.0035088 k( 51) = ( -0.0929294 0.0929294 0.5000000), wk = 0.0035088 k( 52) = ( -0.1045456 0.1045456 0.5000000), wk = 0.0035088 k( 53) = ( -0.1161618 0.1161618 0.5000000), wk = 0.0035088 k( 54) = ( -0.1277779 0.1277779 0.5000000), wk = 0.0035088 k( 55) = ( -0.1393941 0.1393941 0.5000000), wk = 0.0035088 k( 56) = ( -0.1510103 0.1510103 0.5000000), wk = 0.0035088 k( 57) = ( -0.1510103 0.1510103 0.5000000), wk = 0.0035088 k( 58) = ( -0.1597350 0.1597350 0.4912753), wk = 0.0035088 k( 59) = ( -0.1684598 0.1684598 0.4825505), wk = 0.0035088 k( 60) = ( -0.1771845 0.1771845 0.4738258), wk = 0.0035088 k( 61) = ( -0.1859093 0.1859093 0.4651010), wk = 0.0035088 k( 62) = ( -0.1946340 0.1946340 0.4563763), wk = 0.0035088 k( 63) = ( -0.2033588 0.2033587 0.4476515), wk = 0.0035088 k( 64) = ( -0.2120835 0.2120835 0.4389268), wk = 0.0035088 k( 65) = ( -0.2208082 0.2208082 0.4302021), wk = 0.0035088 k( 66) = ( -0.2295330 0.2295330 0.4214773), wk = 0.0035088 k( 67) = ( -0.2382577 0.2382577 0.4127526), wk = 0.0035088 k( 68) = ( -0.2469825 0.2469825 0.4040278), wk = 0.0035088 k( 69) = ( -0.2557072 0.2557072 0.3953031), wk = 0.0035088 k( 70) = ( -0.2644320 0.2644320 0.3865783), wk = 0.0035088 k( 71) = ( -0.2731567 0.2731567 0.3778536), wk = 0.0035088 k( 72) = ( -0.2818814 0.2818814 0.3691289), wk = 0.0035088 k( 73) = ( -0.2906062 0.2906062 0.3604041), wk = 0.0035088 k( 74) = ( -0.2993309 0.2993309 0.3516794), wk = 0.0035088 k( 75) = ( -0.3080557 0.3080557 0.3429546), wk = 0.0035088 k( 76) = ( -0.3167804 0.3167804 0.3342299), wk = 0.0035088 k( 77) = ( -0.3255052 0.3255051 0.3255052), wk = 0.0035088 k( 78) = ( -0.3255052 0.3255051 0.3255052), wk = 0.0035088 k( 79) = ( -0.3167077 0.3167077 0.3167077), wk = 0.0035088 k( 80) = ( -0.3079103 0.3079103 0.3079103), wk = 0.0035088 k( 81) = ( -0.2991128 0.2991128 0.2991128), wk = 0.0035088 k( 82) = ( -0.2903154 0.2903154 0.2903154), wk = 0.0035088 k( 83) = ( -0.2815180 0.2815180 0.2815180), wk = 0.0035088 k( 84) = ( -0.2727205 0.2727205 0.2727205), wk = 0.0035088 k( 85) = ( -0.2639231 0.2639231 0.2639231), wk = 0.0035088 k( 86) = ( -0.2551257 0.2551257 0.2551257), wk = 0.0035088 k( 87) = ( -0.2463282 0.2463282 0.2463282), wk = 0.0035088 k( 88) = ( -0.2375308 0.2375308 0.2375308), wk = 0.0035088 k( 89) = ( -0.2287334 0.2287334 0.2287334), wk = 0.0035088 k( 90) = ( -0.2199359 0.2199359 0.2199359), wk = 0.0035088 k( 91) = ( -0.2111385 0.2111385 0.2111385), wk = 0.0035088 k( 92) = ( -0.2023410 0.2023410 0.2023410), wk = 0.0035088 k( 93) = ( -0.1935436 0.1935436 0.1935436), wk = 0.0035088 k( 94) = ( -0.1847462 0.1847462 0.1847462), wk = 0.0035088 k( 95) = ( -0.1759487 0.1759487 0.1759487), wk = 0.0035088 k( 96) = ( -0.1671513 0.1671513 0.1671513), wk = 0.0035088 k( 97) = ( -0.1583538 0.1583538 0.1583539), wk = 0.0035088 k( 98) = ( -0.1495564 0.1495564 0.1495564), wk = 0.0035088 k( 99) = ( -0.1407590 0.1407590 0.1407590), wk = 0.0035088 k( 100) = ( -0.1319616 0.1319615 0.1319616), wk = 0.0035088 k( 101) = ( -0.1231641 0.1231641 0.1231641), wk = 0.0035088 k( 102) = ( -0.1143667 0.1143667 0.1143667), wk = 0.0035088 k( 103) = ( -0.1055692 0.1055692 0.1055692), wk = 0.0035088 k( 104) = ( -0.0967718 0.0967718 0.0967718), wk = 0.0035088 k( 105) = ( -0.0879744 0.0879744 0.0879744), wk = 0.0035088 k( 106) = ( -0.0791769 0.0791769 0.0791769), wk = 0.0035088 k( 107) = ( -0.0703795 0.0703795 0.0703795), wk = 0.0035088 k( 108) = ( -0.0615820 0.0615820 0.0615820), wk = 0.0035088 k( 109) = ( -0.0527846 0.0527846 0.0527846), wk = 0.0035088 k( 110) = ( -0.0439872 0.0439872 0.0439872), wk = 0.0035088 k( 111) = ( -0.0351897 0.0351897 0.0351897), wk = 0.0035088 k( 112) = ( -0.0263923 0.0263923 0.0263923), wk = 0.0035088 k( 113) = ( -0.0175949 0.0175949 0.0175949), wk = 0.0035088 k( 114) = ( -0.0087974 0.0087974 0.0087974), wk = 0.0035088 k( 115) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 116) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035088 k( 117) = ( 0.0156250 0.0156250 -0.0156250), wk = 0.0035088 k( 118) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0035088 k( 119) = ( 0.0468750 0.0468750 -0.0468750), wk = 0.0035088 k( 120) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0035088 k( 121) = ( 0.0781250 0.0781250 -0.0781250), wk = 0.0035088 k( 122) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0035088 k( 123) = ( 0.1093750 0.1093750 -0.1093750), wk = 0.0035088 k( 124) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0035088 k( 125) = ( 0.1406250 0.1406250 -0.1406250), wk = 0.0035088 k( 126) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0035088 k( 127) = ( 0.1718750 0.1718750 -0.1718750), wk = 0.0035088 k( 128) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0035088 k( 129) = ( 0.2031250 0.2031250 -0.2031250), wk = 0.0035088 k( 130) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0035088 k( 131) = ( 0.2343750 0.2343750 -0.2343750), wk = 0.0035088 k( 132) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0035088 k( 133) = ( 0.2656250 0.2656250 -0.2656250), wk = 0.0035088 k( 134) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0035088 k( 135) = ( 0.2968750 0.2968750 -0.2968750), wk = 0.0035088 k( 136) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0035088 k( 137) = ( 0.3281250 0.3281250 -0.3281250), wk = 0.0035088 k( 138) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0035088 k( 139) = ( 0.3593750 0.3593750 -0.3593750), wk = 0.0035088 k( 140) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0035088 k( 141) = ( 0.3906250 0.3906250 -0.3906250), wk = 0.0035088 k( 142) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0035088 k( 143) = ( 0.4218750 0.4218750 -0.4218750), wk = 0.0035088 k( 144) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0035088 k( 145) = ( 0.4531250 0.4531250 -0.4531250), wk = 0.0035088 k( 146) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0035088 k( 147) = ( 0.4843750 0.4843750 -0.4843750), wk = 0.0035088 k( 148) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035088 k( 149) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035088 k( 150) = ( 0.4912753 0.5087247 -0.4912753), wk = 0.0035088 k( 151) = ( 0.4825505 0.5174495 -0.4825505), wk = 0.0035088 k( 152) = ( 0.4738258 0.5261742 -0.4738258), wk = 0.0035088 k( 153) = ( 0.4651010 0.5348990 -0.4651010), wk = 0.0035088 k( 154) = ( 0.4563763 0.5436237 -0.4563763), wk = 0.0035088 k( 155) = ( 0.4476515 0.5523485 -0.4476515), wk = 0.0035088 k( 156) = ( 0.4389268 0.5610732 -0.4389268), wk = 0.0035088 k( 157) = ( 0.4302021 0.5697979 -0.4302021), wk = 0.0035088 k( 158) = ( 0.4214773 0.5785227 -0.4214773), wk = 0.0035088 k( 159) = ( 0.4127526 0.5872474 -0.4127526), wk = 0.0035088 k( 160) = ( 0.4040278 0.5959722 -0.4040278), wk = 0.0035088 k( 161) = ( 0.3953031 0.6046969 -0.3953031), wk = 0.0035088 k( 162) = ( 0.3865784 0.6134216 -0.3865783), wk = 0.0035088 k( 163) = ( 0.3778536 0.6221464 -0.3778536), wk = 0.0035088 k( 164) = ( 0.3691289 0.6308711 -0.3691289), wk = 0.0035088 k( 165) = ( 0.3604041 0.6395959 -0.3604041), wk = 0.0035088 k( 166) = ( 0.3516794 0.6483206 -0.3516794), wk = 0.0035088 k( 167) = ( 0.3429546 0.6570454 -0.3429546), wk = 0.0035088 k( 168) = ( 0.3342299 0.6657701 -0.3342299), wk = 0.0035088 k( 169) = ( 0.3255052 0.6744948 -0.3255051), wk = 0.0035088 k( 170) = ( 0.3255052 0.6744948 -0.3255051), wk = 0.0035088 k( 171) = ( 0.3074215 0.6648007 -0.3074215), wk = 0.0035088 k( 172) = ( 0.2893379 0.6551065 -0.2893379), wk = 0.0035088 k( 173) = ( 0.2712543 0.6454124 -0.2712543), wk = 0.0035088 k( 174) = ( 0.2531707 0.6357182 -0.2531707), wk = 0.0035088 k( 175) = ( 0.2350870 0.6260241 -0.2350870), wk = 0.0035088 k( 176) = ( 0.2170034 0.6163299 -0.2170034), wk = 0.0035088 k( 177) = ( 0.1989198 0.6066357 -0.1989198), wk = 0.0035088 k( 178) = ( 0.1808362 0.5969416 -0.1808362), wk = 0.0035088 k( 179) = ( 0.1627526 0.5872474 -0.1627526), wk = 0.0035088 k( 180) = ( 0.1446689 0.5775533 -0.1446690), wk = 0.0035088 k( 181) = ( 0.1265853 0.5678591 -0.1265853), wk = 0.0035088 k( 182) = ( 0.1085017 0.5581649 -0.1085017), wk = 0.0035088 k( 183) = ( 0.0904181 0.5484708 -0.0904181), wk = 0.0035088 k( 184) = ( 0.0723345 0.5387766 -0.0723345), wk = 0.0035088 k( 185) = ( 0.0542509 0.5290825 -0.0542509), wk = 0.0035088 k( 186) = ( 0.0361672 0.5193883 -0.0361672), wk = 0.0035088 k( 187) = ( 0.0180836 0.5096942 -0.0180836), wk = 0.0035088 k( 188) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035088 k( 189) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0035088 k( 190) = ( 0.0086207 0.4913793 0.0086207), wk = 0.0035088 k( 191) = ( 0.0172414 0.4827586 0.0172414), wk = 0.0035088 k( 192) = ( 0.0258621 0.4741379 0.0258621), wk = 0.0035088 k( 193) = ( 0.0344828 0.4655172 0.0344828), wk = 0.0035088 k( 194) = ( 0.0431035 0.4568965 0.0431035), wk = 0.0035088 k( 195) = ( 0.0517241 0.4482759 0.0517241), wk = 0.0035088 k( 196) = ( 0.0603448 0.4396552 0.0603448), wk = 0.0035088 k( 197) = ( 0.0689655 0.4310345 0.0689655), wk = 0.0035088 k( 198) = ( 0.0775862 0.4224138 0.0775862), wk = 0.0035088 k( 199) = ( 0.0862069 0.4137931 0.0862069), wk = 0.0035088 k( 200) = ( 0.0948276 0.4051724 0.0948276), wk = 0.0035088 k( 201) = ( 0.1034483 0.3965517 0.1034483), wk = 0.0035088 k( 202) = ( 0.1120690 0.3879310 0.1120690), wk = 0.0035088 k( 203) = ( 0.1206897 0.3793103 0.1206897), wk = 0.0035088 k( 204) = ( 0.1293103 0.3706897 0.1293103), wk = 0.0035088 k( 205) = ( 0.1379310 0.3620690 0.1379310), wk = 0.0035088 k( 206) = ( 0.1465517 0.3534483 0.1465517), wk = 0.0035088 k( 207) = ( 0.1551724 0.3448276 0.1551724), wk = 0.0035088 k( 208) = ( 0.1637931 0.3362069 0.1637931), wk = 0.0035088 k( 209) = ( 0.1724138 0.3275862 0.1724138), wk = 0.0035088 k( 210) = ( 0.1810345 0.3189655 0.1810345), wk = 0.0035088 k( 211) = ( 0.1896552 0.3103448 0.1896552), wk = 0.0035088 k( 212) = ( 0.1982759 0.3017241 0.1982759), wk = 0.0035088 k( 213) = ( 0.2068966 0.2931034 0.2068966), wk = 0.0035088 k( 214) = ( 0.2155172 0.2844828 0.2155172), wk = 0.0035088 k( 215) = ( 0.2241379 0.2758621 0.2241379), wk = 0.0035088 k( 216) = ( 0.2327586 0.2672414 0.2327586), wk = 0.0035088 k( 217) = ( 0.2413793 0.2586207 0.2413793), wk = 0.0035088 k( 218) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035088 k( 219) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035088 k( 220) = ( 0.2625000 0.2625000 0.2299495), wk = 0.0035088 k( 221) = ( 0.2750000 0.2750000 0.2098990), wk = 0.0035088 k( 222) = ( 0.2875000 0.2875000 0.1898485), wk = 0.0035088 k( 223) = ( 0.3000000 0.3000000 0.1697979), wk = 0.0035088 k( 224) = ( 0.3125000 0.3125000 0.1497474), wk = 0.0035088 k( 225) = ( 0.3250000 0.3250000 0.1296969), wk = 0.0035088 k( 226) = ( 0.3375000 0.3375000 0.1096464), wk = 0.0035088 k( 227) = ( 0.3500000 0.3500000 0.0895959), wk = 0.0035088 k( 228) = ( 0.3625000 0.3625000 0.0695454), wk = 0.0035088 k( 229) = ( 0.3750000 0.3750000 0.0494949), wk = 0.0035088 k( 230) = ( 0.3875000 0.3875000 0.0294443), wk = 0.0035088 k( 231) = ( 0.4000000 0.4000000 0.0093938), wk = 0.0035088 k( 232) = ( 0.4125000 0.4125000 -0.0106567), wk = 0.0035088 k( 233) = ( 0.4250000 0.4250000 -0.0307072), wk = 0.0035088 k( 234) = ( 0.4375000 0.4375000 -0.0507577), wk = 0.0035088 k( 235) = ( 0.4500000 0.4500000 -0.0708082), wk = 0.0035088 k( 236) = ( 0.4625000 0.4625000 -0.0908587), wk = 0.0035088 k( 237) = ( 0.4750000 0.4750000 -0.1109093), wk = 0.0035088 k( 238) = ( 0.4875000 0.4875000 -0.1309598), wk = 0.0035088 k( 239) = ( 0.5000000 0.5000000 -0.1510103), wk = 0.0035088 k( 240) = ( 0.5000000 0.5000000 -0.1510103), wk = 0.0035088 k( 241) = ( 0.5000000 0.5000000 -0.1634742), wk = 0.0035088 k( 242) = ( 0.5000000 0.5000000 -0.1759381), wk = 0.0035088 k( 243) = ( 0.5000000 0.5000000 -0.1884020), wk = 0.0035088 k( 244) = ( 0.5000000 0.5000000 -0.2008660), wk = 0.0035088 k( 245) = ( 0.5000000 0.5000000 -0.2133299), wk = 0.0035088 k( 246) = ( 0.5000000 0.5000000 -0.2257938), wk = 0.0035088 k( 247) = ( 0.5000000 0.5000000 -0.2382577), wk = 0.0035088 k( 248) = ( 0.5000000 0.5000000 -0.2507216), wk = 0.0035088 k( 249) = ( 0.5000000 0.5000000 -0.2631856), wk = 0.0035088 k( 250) = ( 0.5000000 0.5000000 -0.2756495), wk = 0.0035088 k( 251) = ( 0.5000000 0.5000000 -0.2881134), wk = 0.0035088 k( 252) = ( 0.5000000 0.5000000 -0.3005773), wk = 0.0035088 k( 253) = ( 0.5000000 0.5000000 -0.3130412), wk = 0.0035088 k( 254) = ( 0.5000000 0.5000000 -0.3255051), wk = 0.0035088 k( 255) = ( 0.5000000 0.5000000 -0.3379691), wk = 0.0035088 k( 256) = ( 0.5000000 0.5000000 -0.3504330), wk = 0.0035088 k( 257) = ( 0.5000000 0.5000000 -0.3628969), wk = 0.0035088 k( 258) = ( 0.5000000 0.5000000 -0.3753608), wk = 0.0035088 k( 259) = ( 0.5000000 0.5000000 -0.3878247), wk = 0.0035088 k( 260) = ( 0.5000000 0.5000000 -0.4002886), wk = 0.0035088 k( 261) = ( 0.5000000 0.5000000 -0.4127526), wk = 0.0035088 k( 262) = ( 0.5000000 0.5000000 -0.4252165), wk = 0.0035088 k( 263) = ( 0.5000000 0.5000000 -0.4376804), wk = 0.0035088 k( 264) = ( 0.5000000 0.5000000 -0.4501443), wk = 0.0035088 k( 265) = ( 0.5000000 0.5000000 -0.4626082), wk = 0.0035088 k( 266) = ( 0.5000000 0.5000000 -0.4750722), wk = 0.0035088 k( 267) = ( 0.5000000 0.5000000 -0.4875361), wk = 0.0035088 k( 268) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0035088 k( 269) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035088 k( 270) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0035088 k( 271) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0035088 k( 272) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0035088 k( 273) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0035088 k( 274) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0035088 k( 275) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0035088 k( 276) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0035088 k( 277) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0035088 k( 278) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0035088 k( 279) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0035088 k( 280) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0035088 k( 281) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0035088 k( 282) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0035088 k( 283) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0035088 k( 284) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0035088 k( 285) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0035088 Dense grid: 286605 G-vectors FFT dimensions: ( 100, 100, 100) Smooth grid: 35935 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 188, 50) NL pseudopotentials 0.34 Mb ( 94, 238) Each V/rho on FFT grid 0.46 Mb ( 30000) Each G-vector array 0.05 Mb ( 5971) G-vector shells 0.02 Mb ( 2810) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.57 Mb ( 188, 200) Each subspace H/S matrix 0.61 Mb ( 200, 200) Each matrix 0.36 Mb ( 238, 2, 50) The potential is recalculated from file : ./Al2CdS4.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 48.8 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 54.6 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 60.3 secs Computing kpt #: 4 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 66.0 secs Computing kpt #: 5 total cpu time spent up to now is 71.4 secs Computing kpt #: 6 total cpu time spent up to now is 76.4 secs Computing kpt #: 7 total cpu time spent up to now is 81.2 secs Computing kpt #: 8 total cpu time spent up to now is 85.5 secs Computing kpt #: 9 total cpu time spent up to now is 89.4 secs Computing kpt #: 10 total cpu time spent up to now is 93.4 secs Computing kpt #: 11 total cpu time spent up to now is 97.3 secs Computing kpt #: 12 total cpu time spent up to now is 101.0 secs Computing kpt #: 13 total cpu time spent up to now is 104.6 secs Computing kpt #: 14 total cpu time spent up to now is 108.1 secs Computing kpt #: 15 total cpu time spent up to now is 111.4 secs Computing kpt #: 16 total cpu time spent up to now is 114.8 secs Computing kpt #: 17 total cpu time spent up to now is 118.2 secs Computing kpt #: 18 total cpu time spent up to now is 121.6 secs Computing kpt #: 19 total cpu time spent up to now is 125.1 secs Computing kpt #: 20 total cpu time spent up to now is 128.6 secs Computing kpt #: 21 total cpu time spent up to now is 132.0 secs Computing kpt #: 22 total cpu time spent up to now is 135.5 secs Computing kpt #: 23 total cpu time spent up to now is 138.9 secs Computing kpt #: 24 total cpu time spent up to now is 142.5 secs Computing kpt #: 25 total cpu time spent up to now is 145.9 secs Computing kpt #: 26 total cpu time spent up to now is 149.5 secs Computing kpt #: 27 total cpu time spent up to now is 153.2 secs Computing kpt #: 28 total cpu time spent up to now is 156.8 secs Computing kpt #: 29 total cpu time spent up to now is 160.4 secs Computing kpt #: 30 total cpu time spent up to now is 163.9 secs Computing kpt #: 31 total cpu time spent up to now is 167.4 secs Computing kpt #: 32 total cpu time spent up to now is 170.8 secs Computing kpt #: 33 total cpu time spent up to now is 174.2 secs Computing kpt #: 34 total cpu time spent up to now is 177.6 secs Computing kpt #: 35 total cpu time spent up to now is 181.0 secs Computing kpt #: 36 total cpu time spent up to now is 184.4 secs Computing kpt #: 37 total cpu time spent up to now is 187.8 secs Computing kpt #: 38 total cpu time spent up to now is 191.2 secs Computing kpt #: 39 total cpu time spent up to now is 194.7 secs Computing kpt #: 40 total cpu time spent up to now is 198.2 secs Computing kpt #: 41 total cpu time spent up to now is 201.9 secs Computing kpt #: 42 total cpu time spent up to now is 205.5 secs Computing kpt #: 43 total cpu time spent up to now is 209.0 secs Computing kpt #: 44 total cpu time spent up to now is 212.4 secs Computing kpt #: 45 total cpu time spent up to now is 215.8 secs Computing kpt #: 46 total cpu time spent up to now is 219.2 secs Computing kpt #: 47 total cpu time spent up to now is 222.6 secs Computing kpt #: 48 total cpu time spent up to now is 226.0 secs Computing kpt #: 49 total cpu time spent up to now is 229.5 secs Computing kpt #: 50 total cpu time spent up to now is 232.9 secs Computing kpt #: 51 total cpu time spent up to now is 236.4 secs Computing kpt #: 52 total cpu time spent up to now is 239.9 secs Computing kpt #: 53 total cpu time spent up to now is 243.1 secs Computing kpt #: 54 total cpu time spent up to now is 246.4 secs Computing kpt #: 55 total cpu time spent up to now is 250.0 secs Computing kpt #: 56 total cpu time spent up to now is 253.5 secs Computing kpt #: 57 total cpu time spent up to now is 257.2 secs Computing kpt #: 58 total cpu time spent up to now is 260.8 secs Computing kpt #: 59 total cpu time spent up to now is 264.4 secs Computing kpt #: 60 total cpu time spent up to now is 268.0 secs Computing kpt #: 61 total cpu time spent up to now is 271.6 secs Computing kpt #: 62 total cpu time spent up to now is 275.1 secs Computing kpt #: 63 total cpu time spent up to now is 278.5 secs Computing kpt #: 64 total cpu time spent up to now is 281.8 secs Computing kpt #: 65 total cpu time spent up to now is 285.2 secs Computing kpt #: 66 total cpu time spent up to now is 288.6 secs Computing kpt #: 67 total cpu time spent up to now is 292.1 secs Computing kpt #: 68 total cpu time spent up to now is 295.5 secs Computing kpt #: 69 total cpu time spent up to now is 298.9 secs Computing kpt #: 70 total cpu time spent up to now is 302.4 secs Computing kpt #: 71 total cpu time spent up to now is 305.9 secs Computing kpt #: 72 total cpu time spent up to now is 309.4 secs Computing kpt #: 73 total cpu time spent up to now is 312.9 secs Computing kpt #: 74 total cpu time spent up to now is 316.3 secs Computing kpt #: 75 total cpu time spent up to now is 319.5 secs Computing kpt #: 76 total cpu time spent up to now is 323.5 secs Computing kpt #: 77 total cpu time spent up to now is 328.5 secs Computing kpt #: 78 total cpu time spent up to now is 331.9 secs Computing kpt #: 79 total cpu time spent up to now is 335.3 secs Computing kpt #: 80 total cpu time spent up to now is 338.6 secs Computing kpt #: 81 total cpu time spent up to now is 342.2 secs Computing kpt #: 82 total cpu time spent up to now is 345.9 secs Computing kpt #: 83 total cpu time spent up to now is 349.4 secs Computing kpt #: 84 total cpu time spent up to now is 353.0 secs Computing kpt #: 85 total cpu time spent up to now is 356.6 secs Computing kpt #: 86 total cpu time spent up to now is 360.2 secs Computing kpt #: 87 total cpu time spent up to now is 363.9 secs Computing kpt #: 88 total cpu time spent up to now is 368.0 secs Computing kpt #: 89 total cpu time spent up to now is 372.4 secs Computing kpt #: 90 total cpu time spent up to now is 376.7 secs Computing kpt #: 91 total cpu time spent up to now is 381.0 secs Computing kpt #: 92 total cpu time spent up to now is 385.6 secs Computing kpt #: 93 total cpu time spent up to now is 390.3 secs Computing kpt #: 94 total cpu time spent up to now is 394.0 secs Computing kpt #: 95 total cpu time spent up to now is 397.6 secs Computing kpt #: 96 total cpu time spent up to now is 401.1 secs Computing kpt #: 97 total cpu time spent up to now is 404.5 secs Computing kpt #: 98 total cpu time spent up to now is 408.2 secs Computing kpt #: 99 total cpu time spent up to now is 411.7 secs Computing kpt #: 100 total cpu time spent up to now is 414.9 secs Computing kpt #: 101 total cpu time spent up to now is 418.3 secs Computing kpt #: 102 total cpu time spent up to now is 421.8 secs Computing kpt #: 103 total cpu time spent up to now is 425.4 secs Computing kpt #: 104 total cpu time spent up to now is 429.3 secs Computing kpt #: 105 total cpu time spent up to now is 433.4 secs Computing kpt #: 106 total cpu time spent up to now is 437.4 secs Computing kpt #: 107 total cpu time spent up to now is 441.8 secs Computing kpt #: 108 total cpu time spent up to now is 445.8 secs Computing kpt #: 109 total cpu time spent up to now is 450.5 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 456.2 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 461.9 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 467.6 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 473.3 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 479.1 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 484.5 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 490.1 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 495.7 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 501.5 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 507.0 secs Computing kpt #: 120 total cpu time spent up to now is 510.9 secs Computing kpt #: 121 total cpu time spent up to now is 514.8 secs Computing kpt #: 122 total cpu time spent up to now is 518.5 secs Computing kpt #: 123 total cpu time spent up to now is 522.1 secs Computing kpt #: 124 total cpu time spent up to now is 525.7 secs Computing kpt #: 125 total cpu time spent up to now is 529.2 secs Computing kpt #: 126 total cpu time spent up to now is 532.7 secs Computing kpt #: 127 total cpu time spent up to now is 536.2 secs Computing kpt #: 128 total cpu time spent up to now is 539.7 secs Computing kpt #: 129 total cpu time spent up to now is 543.5 secs Computing kpt #: 130 total cpu time spent up to now is 547.1 secs Computing kpt #: 131 total cpu time spent up to now is 550.7 secs Computing kpt #: 132 total cpu time spent up to now is 554.7 secs Computing kpt #: 133 total cpu time spent up to now is 559.0 secs Computing kpt #: 134 total cpu time spent up to now is 562.2 secs Computing kpt #: 135 total cpu time spent up to now is 565.3 secs Computing kpt #: 136 total cpu time spent up to now is 568.4 secs Computing kpt #: 137 total cpu time spent up to now is 571.5 secs Computing kpt #: 138 total cpu time spent up to now is 574.6 secs Computing kpt #: 139 total cpu time spent up to now is 577.7 secs Computing kpt #: 140 total cpu time spent up to now is 580.9 secs Computing kpt #: 141 total cpu time spent up to now is 584.0 secs Computing kpt #: 142 total cpu time spent up to now is 587.2 secs Computing kpt #: 143 total cpu time spent up to now is 590.4 secs Computing kpt #: 144 total cpu time spent up to now is 593.5 secs Computing kpt #: 145 total cpu time spent up to now is 596.6 secs Computing kpt #: 146 total cpu time spent up to now is 599.7 secs Computing kpt #: 147 total cpu time spent up to now is 602.8 secs Computing kpt #: 148 total cpu time spent up to now is 605.8 secs Computing kpt #: 149 total cpu time spent up to now is 608.9 secs Computing kpt #: 150 total cpu time spent up to now is 612.0 secs Computing kpt #: 151 total cpu time spent up to now is 615.1 secs Computing kpt #: 152 total cpu time spent up to now is 618.3 secs Computing kpt #: 153 total cpu time spent up to now is 622.1 secs Computing kpt #: 154 total cpu time spent up to now is 625.9 secs Computing kpt #: 155 total cpu time spent up to now is 629.2 secs Computing kpt #: 156 total cpu time spent up to now is 632.4 secs Computing kpt #: 157 total cpu time spent up to now is 635.8 secs Computing kpt #: 158 total cpu time spent up to now is 639.5 secs Computing kpt #: 159 total cpu time spent up to now is 643.1 secs Computing kpt #: 160 total cpu time spent up to now is 646.7 secs Computing kpt #: 161 total cpu time spent up to now is 650.2 secs Computing kpt #: 162 total cpu time spent up to now is 654.1 secs Computing kpt #: 163 total cpu time spent up to now is 657.9 secs Computing kpt #: 164 total cpu time spent up to now is 661.5 secs Computing kpt #: 165 total cpu time spent up to now is 665.0 secs Computing kpt #: 166 total cpu time spent up to now is 668.6 secs Computing kpt #: 167 total cpu time spent up to now is 672.1 secs Computing kpt #: 168 total cpu time spent up to now is 675.6 secs Computing kpt #: 169 total cpu time spent up to now is 679.1 secs Computing kpt #: 170 total cpu time spent up to now is 682.6 secs Computing kpt #: 171 total cpu time spent up to now is 685.8 secs Computing kpt #: 172 total cpu time spent up to now is 689.2 secs Computing kpt #: 173 total cpu time spent up to now is 692.5 secs Computing kpt #: 174 total cpu time spent up to now is 695.8 secs Computing kpt #: 175 total cpu time spent up to now is 698.9 secs Computing kpt #: 176 total cpu time spent up to now is 702.0 secs Computing kpt #: 177 total cpu time spent up to now is 705.2 secs Computing kpt #: 178 total cpu time spent up to now is 708.3 secs Computing kpt #: 179 total cpu time spent up to now is 711.4 secs Computing kpt #: 180 total cpu time spent up to now is 714.6 secs Computing kpt #: 181 total cpu time spent up to now is 717.7 secs Computing kpt #: 182 total cpu time spent up to now is 721.1 secs Computing kpt #: 183 total cpu time spent up to now is 724.5 secs Computing kpt #: 184 total cpu time spent up to now is 728.0 secs Computing kpt #: 185 total cpu time spent up to now is 731.5 secs Computing kpt #: 186 total cpu time spent up to now is 735.2 secs Computing kpt #: 187 total cpu time spent up to now is 738.8 secs Computing kpt #: 188 total cpu time spent up to now is 742.5 secs Computing kpt #: 189 total cpu time spent up to now is 746.0 secs Computing kpt #: 190 total cpu time spent up to now is 750.2 secs Computing kpt #: 191 total cpu time spent up to now is 754.2 secs Computing kpt #: 192 total cpu time spent up to now is 758.4 secs Computing kpt #: 193 total cpu time spent up to now is 762.4 secs Computing kpt #: 194 total cpu time spent up to now is 766.5 secs Computing kpt #: 195 total cpu time spent up to now is 770.5 secs Computing kpt #: 196 total cpu time spent up to now is 774.6 secs Computing kpt #: 197 total cpu time spent up to now is 778.5 secs Computing kpt #: 198 total cpu time spent up to now is 782.5 secs Computing kpt #: 199 total cpu time spent up to now is 786.6 secs Computing kpt #: 200 total cpu time spent up to now is 790.6 secs Computing kpt #: 201 total cpu time spent up to now is 794.7 secs Computing kpt #: 202 total cpu time spent up to now is 798.5 secs Computing kpt #: 203 total cpu time spent up to now is 802.2 secs Computing kpt #: 204 total cpu time spent up to now is 806.0 secs Computing kpt #: 205 total cpu time spent up to now is 809.7 secs Computing kpt #: 206 total cpu time spent up to now is 813.4 secs Computing kpt #: 207 total cpu time spent up to now is 817.1 secs Computing kpt #: 208 total cpu time spent up to now is 820.6 secs Computing kpt #: 209 total cpu time spent up to now is 824.2 secs Computing kpt #: 210 total cpu time spent up to now is 827.8 secs Computing kpt #: 211 total cpu time spent up to now is 831.3 secs Computing kpt #: 212 total cpu time spent up to now is 834.9 secs Computing kpt #: 213 total cpu time spent up to now is 838.4 secs Computing kpt #: 214 total cpu time spent up to now is 841.9 secs Computing kpt #: 215 total cpu time spent up to now is 845.3 secs Computing kpt #: 216 total cpu time spent up to now is 848.7 secs Computing kpt #: 217 total cpu time spent up to now is 852.3 secs Computing kpt #: 218 total cpu time spent up to now is 855.7 secs Computing kpt #: 219 total cpu time spent up to now is 859.2 secs Computing kpt #: 220 total cpu time spent up to now is 862.6 secs Computing kpt #: 221 total cpu time spent up to now is 866.0 secs Computing kpt #: 222 total cpu time spent up to now is 869.4 secs Computing kpt #: 223 total cpu time spent up to now is 873.1 secs Computing kpt #: 224 total cpu time spent up to now is 876.6 secs Computing kpt #: 225 total cpu time spent up to now is 880.1 secs Computing kpt #: 226 total cpu time spent up to now is 883.6 secs Computing kpt #: 227 total cpu time spent up to now is 887.1 secs Computing kpt #: 228 total cpu time spent up to now is 890.7 secs Computing kpt #: 229 total cpu time spent up to now is 894.3 secs Computing kpt #: 230 total cpu time spent up to now is 897.9 secs Computing kpt #: 231 total cpu time spent up to now is 901.7 secs Computing kpt #: 232 total cpu time spent up to now is 905.2 secs Computing kpt #: 233 total cpu time spent up to now is 908.7 secs Computing kpt #: 234 total cpu time spent up to now is 912.2 secs Computing kpt #: 235 total cpu time spent up to now is 915.9 secs Computing kpt #: 236 total cpu time spent up to now is 919.6 secs Computing kpt #: 237 total cpu time spent up to now is 924.0 secs Computing kpt #: 238 total cpu time spent up to now is 929.3 secs Computing kpt #: 239 total cpu time spent up to now is 933.2 secs Computing kpt #: 240 total cpu time spent up to now is 936.6 secs Computing kpt #: 241 total cpu time spent up to now is 940.4 secs Computing kpt #: 242 total cpu time spent up to now is 944.3 secs Computing kpt #: 243 total cpu time spent up to now is 948.1 secs Computing kpt #: 244 total cpu time spent up to now is 951.9 secs Computing kpt #: 245 total cpu time spent up to now is 955.5 secs Computing kpt #: 246 total cpu time spent up to now is 959.4 secs Computing kpt #: 247 total cpu time spent up to now is 962.9 secs Computing kpt #: 248 total cpu time spent up to now is 966.5 secs Computing kpt #: 249 total cpu time spent up to now is 970.2 secs Computing kpt #: 250 total cpu time spent up to now is 973.8 secs Computing kpt #: 251 total cpu time spent up to now is 977.3 secs Computing kpt #: 252 total cpu time spent up to now is 980.8 secs Computing kpt #: 253 total cpu time spent up to now is 984.5 secs Computing kpt #: 254 total cpu time spent up to now is 988.0 secs Computing kpt #: 255 total cpu time spent up to now is 991.6 secs Computing kpt #: 256 total cpu time spent up to now is 995.1 secs Computing kpt #: 257 total cpu time spent up to now is 998.7 secs Computing kpt #: 258 total cpu time spent up to now is 1002.5 secs Computing kpt #: 259 total cpu time spent up to now is 1006.0 secs Computing kpt #: 260 total cpu time spent up to now is 1009.5 secs Computing kpt #: 261 total cpu time spent up to now is 1012.7 secs Computing kpt #: 262 total cpu time spent up to now is 1015.9 secs Computing kpt #: 263 total cpu time spent up to now is 1019.3 secs Computing kpt #: 264 total cpu time spent up to now is 1022.5 secs Computing kpt #: 265 total cpu time spent up to now is 1025.7 secs Computing kpt #: 266 total cpu time spent up to now is 1028.8 secs Computing kpt #: 267 total cpu time spent up to now is 1032.0 secs Computing kpt #: 268 total cpu time spent up to now is 1035.1 secs Computing kpt #: 269 total cpu time spent up to now is 1038.6 secs Computing kpt #: 270 total cpu time spent up to now is 1042.0 secs Computing kpt #: 271 total cpu time spent up to now is 1045.6 secs Computing kpt #: 272 total cpu time spent up to now is 1049.0 secs Computing kpt #: 273 total cpu time spent up to now is 1052.4 secs Computing kpt #: 274 total cpu time spent up to now is 1055.9 secs Computing kpt #: 275 total cpu time spent up to now is 1059.4 secs Computing kpt #: 276 total cpu time spent up to now is 1062.8 secs Computing kpt #: 277 total cpu time spent up to now is 1066.3 secs Computing kpt #: 278 total cpu time spent up to now is 1069.7 secs Computing kpt #: 279 total cpu time spent up to now is 1073.4 secs Computing kpt #: 280 total cpu time spent up to now is 1076.8 secs Computing kpt #: 281 total cpu time spent up to now is 1080.2 secs Computing kpt #: 282 total cpu time spent up to now is 1083.7 secs Computing kpt #: 283 total cpu time spent up to now is 1087.1 secs Computing kpt #: 284 total cpu time spent up to now is 1090.5 secs Computing kpt #: 285 total cpu time spent up to now is 1093.9 secs ethr = 2.38E-11, avg # of iterations = 51.0 total cpu time spent up to now is 1094.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4507 PWs) bands (ev): -8.5071 -8.5071 -7.1156 -7.1156 -7.1153 -7.1153 -7.0102 -7.0102 -3.2848 -3.2848 -3.2764 -3.2764 -2.6498 -2.6498 -2.6409 -2.6409 -2.6038 -2.6038 -1.1115 -1.1115 0.3147 0.3147 1.0439 1.0439 1.0955 1.0955 1.0989 1.0989 1.9297 1.9297 2.0498 2.0498 2.8830 2.8830 2.8942 2.8942 3.9631 3.9631 4.0349 4.0349 4.0478 4.0478 7.0164 7.0164 7.6478 7.6478 8.9197 8.9197 10.2503 10.2503 k = 0.0000 0.0000 0.0199 ( 4507 PWs) bands (ev): -8.5064 -8.5064 -7.1162 -7.1161 -7.1158 -7.1157 -7.0103 -7.0102 -3.2852 -3.2848 -3.2766 -3.2759 -2.6504 -2.6495 -2.6428 -2.6389 -2.6055 -2.6024 -1.1121 -1.1102 0.3125 0.3144 1.0282 1.0333 1.0950 1.0959 1.1117 1.1174 1.9304 1.9325 2.0489 2.0493 2.8818 2.8842 2.8942 2.8951 3.9576 3.9640 4.0305 4.0325 4.0447 4.0492 7.0224 7.0225 7.6507 7.6515 8.9221 8.9230 10.2484 10.2492 k = 0.0000 0.0000 0.0397 ( 4503 PWs) bands (ev): -8.5044 -8.5044 -7.1179 -7.1178 -7.1169 -7.1167 -7.0104 -7.0103 -3.2863 -3.2854 -3.2762 -3.2750 -2.6509 -2.6495 -2.6444 -2.6369 -2.6074 -2.6011 -1.1120 -1.1083 0.3076 0.3112 1.0061 1.0126 1.0913 1.0925 1.1436 1.1505 1.9344 1.9386 2.0464 2.0473 2.8794 2.8843 2.8964 2.8985 3.9460 3.9594 4.0180 4.0262 4.0422 4.0476 7.0402 7.0405 7.6603 7.6619 8.9304 8.9321 10.2417 10.2430 k = 0.0000 0.0000 0.0596 ( 4503 PWs) bands (ev): -8.5010 -8.5010 -7.1208 -7.1206 -7.1186 -7.1184 -7.0107 -7.0106 -3.2877 -3.2861 -3.2755 -3.2742 -2.6516 -2.6501 -2.6454 -2.6349 -2.6094 -2.6001 -1.1111 -1.1057 0.2997 0.3050 0.9874 0.9946 1.0852 1.0869 1.1803 1.1881 1.9415 1.9477 2.0424 2.0437 2.8749 2.8815 2.9029 2.9057 3.9265 3.9462 4.0023 4.0179 4.0390 4.0435 7.0691 7.0697 7.6766 7.6789 8.9442 8.9468 10.2282 10.2297 k = 0.0000 0.0000 0.0795 ( 4507 PWs) bands (ev): -8.4963 -8.4962 -7.1249 -7.1246 -7.1210 -7.1206 -7.0112 -7.0110 -3.2895 -3.2870 -3.2747 -3.2732 -2.6526 -2.6512 -2.6458 -2.6329 -2.6115 -2.5992 -1.1096 -1.1026 0.2886 0.2952 0.9747 0.9824 1.0772 1.0795 1.2191 1.2279 1.9509 1.9591 2.0370 2.0388 2.8690 2.8768 2.9131 2.9163 3.8974 3.9200 3.9893 4.0089 4.0346 4.0381 7.1080 7.1091 7.6995 7.7026 8.9637 8.9671 10.2083 10.2104 k = 0.0000 0.0000 0.0994 ( 4507 PWs) bands (ev): -8.4903 -8.4901 -7.1300 -7.1296 -7.1240 -7.1236 -7.0118 -7.0115 -3.2915 -3.2878 -3.2740 -3.2722 -2.6543 -2.6521 -2.6458 -2.6309 -2.6135 -2.5985 -1.1075 -1.0990 0.2738 0.2815 0.9692 0.9772 1.0677 1.0706 1.2587 1.2685 1.9610 1.9710 2.0314 2.0337 2.8627 2.8716 2.9262 2.9300 3.8586 3.8811 3.9794 3.9999 4.0289 4.0319 7.1554 7.1571 7.7290 7.7329 8.9884 8.9927 10.1836 10.1863 k = 0.0000 0.0000 0.1192 ( 4507 PWs) bands (ev): -8.4829 -8.4828 -7.1361 -7.1357 -7.1276 -7.1271 -7.0126 -7.0123 -3.2936 -3.2887 -3.2736 -3.2710 -2.6564 -2.6527 -2.6458 -2.6290 -2.6155 -2.5979 -1.1048 -1.0950 0.2552 0.2637 0.9718 0.9796 1.0572 1.0607 1.2983 1.3094 1.9675 1.9781 2.0297 2.0323 2.8571 2.8667 2.9420 2.9465 3.8116 3.8332 3.9700 3.9901 4.0224 4.0255 7.2097 7.2122 7.7653 7.7698 9.0182 9.0234 10.1552 10.1584 k = 0.0000 0.0000 0.1391 ( 4511 PWs) bands (ev): -8.4742 -8.4741 -7.1433 -7.1427 -7.1318 -7.1312 -7.0137 -7.0133 -3.2958 -3.2895 -3.2735 -3.2697 -2.6588 -2.6534 -2.6459 -2.6271 -2.6173 -2.5974 -1.1016 -1.0908 0.2328 0.2417 0.9826 0.9899 1.0461 1.0503 1.3372 1.3496 1.9643 1.9734 2.0372 2.0418 2.8528 2.8631 2.9601 2.9653 3.7580 3.7791 3.9595 3.9786 4.0157 4.0190 7.2690 7.2726 7.8082 7.8134 9.0527 9.0588 10.1240 10.1276 k = 0.0000 0.0000 0.1590 ( 4489 PWs) bands (ev): -8.4642 -8.4641 -7.1513 -7.1506 -7.1366 -7.1359 -7.0151 -7.0146 -3.2980 -3.2903 -3.2736 -3.2683 -2.6611 -2.6542 -2.6460 -2.6254 -2.6186 -2.5969 -1.0980 -1.0864 0.2069 0.2158 1.0015 1.0075 1.0351 1.0405 1.3746 1.3884 1.9501 1.9583 2.0541 2.0613 2.8507 2.8615 2.9800 2.9861 3.6996 3.7206 3.9469 3.9650 4.0093 4.0127 7.3316 7.3364 7.8579 7.8636 9.0913 9.0984 10.0910 10.0950 k = 0.0000 0.0000 0.1789 ( 4489 PWs) bands (ev): -8.4530 -8.4528 -7.1602 -7.1594 -7.1418 -7.1411 -7.0168 -7.0162 -3.3001 -3.2911 -3.2740 -3.2670 -2.6635 -2.6554 -2.6461 -2.6241 -2.6192 -2.5964 -1.0941 -1.0820 0.1778 0.1865 1.0219 1.0232 1.0312 1.0403 1.4095 1.4248 1.9292 1.9372 2.0771 2.0861 2.8509 2.8620 3.0012 3.0084 3.6383 3.6598 3.9319 3.9488 4.0034 4.0068 7.3959 7.4020 7.9141 7.9203 9.1335 9.1416 10.0570 10.0613 k = 0.0000 0.0000 0.1987 ( 4483 PWs) bands (ev): -8.4405 -8.4403 -7.1699 -7.1690 -7.1475 -7.1467 -7.0188 -7.0181 -3.3023 -3.2919 -3.2746 -3.2656 -2.6659 -2.6569 -2.6461 -2.6235 -2.6187 -2.5959 -1.0900 -1.0775 0.1460 0.1544 1.0135 1.0173 1.0638 1.0699 1.4404 1.4574 1.9048 1.9130 2.1038 2.1140 2.8534 2.8649 3.0231 3.0316 3.5759 3.5986 3.9144 3.9303 3.9978 4.0011 7.4605 7.4679 7.9768 7.9831 9.1784 9.1877 10.0227 10.0273 k = 0.0000 0.0000 0.2186 ( 4483 PWs) bands (ev): -8.4268 -8.4266 -7.1803 -7.1794 -7.1537 -7.1528 -7.0212 -7.0204 -3.3043 -3.2928 -3.2753 -3.2642 -2.6681 -2.6588 -2.6459 -2.6236 -2.6174 -2.5955 -1.0858 -1.0732 0.1122 0.1200 1.0047 1.0094 1.1045 1.1092 1.4654 1.4844 1.8800 1.8883 2.1330 2.1440 2.8577 2.8696 3.0450 3.0549 3.5146 3.5391 3.8946 3.9097 3.9924 3.9958 7.5243 7.5330 8.0451 8.0515 9.2251 9.2354 9.9890 9.9937 k = 0.0000 0.0000 0.2385 ( 4473 PWs) bands (ev): -8.4119 -8.4117 -7.1914 -7.1904 -7.1602 -7.1592 -7.0240 -7.0231 -3.3063 -3.2937 -3.2762 -3.2628 -2.6702 -2.6610 -2.6455 -2.6238 -2.6157 -2.5949 -1.0814 -1.0689 0.0767 0.0839 0.9974 1.0026 1.1510 1.1549 1.4818 1.5029 1.8583 1.8664 2.1641 2.1755 2.8628 2.8752 3.0657 3.0774 3.4569 3.4838 3.8728 3.8872 3.9873 3.9906 7.5867 7.5966 8.1183 8.1245 9.2723 9.2837 9.9567 9.9614 k = 0.0000 0.0000 0.2583 ( 4465 PWs) bands (ev): -8.3959 -8.3957 -7.2032 -7.2022 -7.1670 -7.1660 -7.0272 -7.0262 -3.3081 -3.2947 -3.2772 -3.2616 -2.6721 -2.6636 -2.6449 -2.6239 -2.6139 -2.5943 -1.0770 -1.0648 0.0400 0.0466 0.9919 0.9975 1.2019 1.2061 1.4865 1.5098 1.8437 1.8512 2.1962 2.2079 2.8672 2.8805 3.0841 3.0976 3.4063 3.4358 3.8494 3.8632 3.9823 3.9856 7.6475 7.6584 8.1952 8.2009 9.3183 9.3309 9.9266 9.9311 k = 0.0000 0.0000 0.2782 ( 4457 PWs) bands (ev): -8.3788 -8.3785 -7.2156 -7.2145 -7.1741 -7.1731 -7.0309 -7.0297 -3.3098 -3.2958 -3.2781 -3.2603 -2.6738 -2.6663 -2.6441 -2.6239 -2.6121 -2.5937 -1.0726 -1.0609 0.0026 0.0085 0.9885 0.9945 1.2557 1.2616 1.4778 1.5030 1.8393 1.8459 2.2286 2.2402 2.8691 2.8834 3.0992 3.1140 3.3665 3.3982 3.8248 3.8382 3.9774 3.9808 7.7066 7.7184 8.2744 8.2795 9.3611 9.3747 9.8997 9.9042 k = 0.0000 0.0000 0.2981 ( 4453 PWs) bands (ev): -8.3605 -8.3603 -7.2286 -7.2274 -7.1815 -7.1804 -7.0350 -7.0336 -3.3114 -3.2971 -3.2790 -3.2592 -2.6753 -2.6691 -2.6431 -2.6239 -2.6104 -2.5930 -1.0682 -1.0572 -0.0352 -0.0299 0.9874 0.9937 1.3093 1.3179 1.4582 1.4851 1.8455 1.8514 2.2603 2.2716 2.8666 2.8819 3.1110 3.1256 3.3411 3.3732 3.7998 3.8128 3.9728 3.9761 7.7642 7.7767 8.3543 8.3588 9.3978 9.4123 9.8777 9.8822 k = 0.0000 0.0000 0.3180 ( 4453 PWs) bands (ev): -8.3413 -8.3410 -7.2420 -7.2408 -7.1890 -7.1879 -7.0395 -7.0380 -3.3128 -3.2985 -3.2798 -3.2582 -2.6766 -2.6720 -2.6421 -2.6239 -2.6087 -2.5923 -1.0638 -1.0536 -0.0731 -0.0685 0.9888 0.9954 1.3502 1.3594 1.4457 1.4697 1.8600 1.8657 2.2901 2.3007 2.8587 2.8747 3.1207 3.1338 3.3306 3.3608 3.7752 3.7877 3.9683 3.9717 7.8204 7.8335 8.4336 8.4373 9.4251 9.4402 9.8622 9.8673 k = 0.0000 0.0000 0.3378 ( 4463 PWs) bands (ev): -8.3211 -8.3208 -7.2559 -7.2547 -7.1966 -7.1955 -7.0445 -7.0429 -3.3141 -3.3002 -3.2805 -3.2573 -2.6776 -2.6748 -2.6409 -2.6239 -2.6072 -2.5916 -1.0594 -1.0500 -0.1108 -0.1069 0.9928 0.9997 1.3409 1.3526 1.4827 1.4909 1.8797 1.8857 2.3165 2.3261 2.8467 2.8631 3.1307 3.1419 3.3314 3.3580 3.7521 3.7640 3.9643 3.9676 7.8755 7.8890 8.5107 8.5139 9.4395 9.4549 9.8551 9.8615 k = 0.0000 0.0000 0.3577 ( 4473 PWs) bands (ev): -8.2999 -8.2996 -7.2703 -7.2691 -7.2043 -7.2031 -7.0499 -7.0482 -3.3152 -3.3019 -3.2811 -3.2566 -2.6785 -2.6775 -2.6397 -2.6240 -2.6058 -2.5909 -1.0549 -1.0464 -0.1481 -0.1448 0.9995 1.0067 1.2962 1.3132 1.5454 1.5457 1.9022 1.9086 2.3380 2.3462 2.8343 2.8504 3.1424 3.1526 3.3381 3.3604 3.7317 3.7429 3.9607 3.9639 7.9296 7.9433 8.5845 8.5871 9.4385 9.4537 9.8574 9.8654 k = 0.0000 0.0000 0.3776 ( 4473 PWs) bands (ev): -8.2778 -8.2775 -7.2850 -7.2838 -7.2120 -7.2108 -7.0558 -7.0540 -3.3161 -3.3038 -3.2816 -3.2560 -2.6804 -2.6787 -2.6384 -2.6241 -2.6045 -2.5901 -1.0502 -1.0428 -0.1848 -0.1822 1.0089 1.0164 1.2422 1.2614 1.6094 1.6136 1.9253 1.9322 2.3537 2.3599 2.8259 2.8415 3.1558 3.1661 3.3462 3.3641 3.7155 3.7258 3.9577 3.9608 7.9828 7.9966 8.6536 8.6557 9.4220 9.4368 9.8677 9.8774 k = 0.0000 0.0000 0.3975 ( 4473 PWs) bands (ev): -8.2549 -8.2546 -7.3001 -7.2989 -7.2197 -7.2185 -7.0621 -7.0603 -3.3168 -3.3057 -3.2820 -3.2556 -2.6828 -2.6790 -2.6372 -2.6243 -2.6034 -2.5894 -1.0454 -1.0389 -0.2209 -0.2187 1.0211 1.0288 1.1844 1.2044 1.6748 1.6811 1.9478 1.9551 2.3640 2.3678 2.8250 2.8398 3.1700 3.1815 3.3522 3.3666 3.7049 3.7143 3.9556 3.9585 8.0350 8.0486 8.7167 8.7185 9.3918 9.4062 9.8827 9.8938 k = 0.0000 0.0000 0.4173 ( 4473 PWs) bands (ev): -8.2312 -8.2309 -7.3154 -7.3143 -7.2273 -7.2260 -7.0688 -7.0669 -3.3174 -3.3076 -3.2823 -3.2553 -2.6851 -2.6790 -2.6361 -2.6245 -2.6025 -2.5887 -1.0404 -1.0347 -0.2560 -0.2543 1.0360 1.0437 1.1249 1.1449 1.7367 1.7437 1.9694 1.9769 2.3710 2.3730 2.8327 2.8464 3.1838 3.1972 3.3542 3.3671 3.7004 3.7095 3.9544 3.9571 8.0860 8.0993 8.7725 8.7741 9.3511 9.3650 9.8985 9.9106 k = 0.0000 0.0000 0.4372 ( 4473 PWs) bands (ev): -8.2069 -8.2066 -7.3311 -7.3301 -7.2347 -7.2334 -7.0759 -7.0740 -3.3178 -3.3094 -3.2826 -3.2553 -2.6872 -2.6788 -2.6351 -2.6246 -2.6017 -2.5880 -1.0350 -1.0301 -0.2902 -0.2887 1.0519 1.0554 1.0715 1.0849 1.7896 1.7950 1.9919 1.9997 2.3779 2.3814 2.8478 2.8601 3.1959 3.2115 3.3525 3.3666 3.7021 3.7116 3.9543 3.9569 8.1354 8.1480 8.8191 8.8207 9.3033 9.3170 9.9118 9.9249 k = 0.0000 0.0000 0.4571 ( 4477 PWs) bands (ev): -8.1818 -8.1815 -7.3471 -7.3461 -7.2419 -7.2406 -7.0835 -7.0816 -3.3181 -3.3111 -3.2829 -3.2555 -2.6891 -2.6783 -2.6344 -2.6247 -2.6012 -2.5874 -1.0293 -1.0250 -0.3233 -0.3217 1.0012 1.0220 1.0753 1.0842 1.8245 1.8277 2.0189 2.0293 2.3906 2.3968 2.8676 2.8782 3.2050 3.2228 3.3498 3.3668 3.7091 3.7198 3.9557 3.9580 8.1825 8.1940 8.8540 8.8561 9.2529 9.2665 9.9208 9.9348 k = 0.0000 0.0000 0.4769 ( 4481 PWs) bands (ev): -8.1562 -8.1559 -7.3633 -7.3624 -7.2488 -7.2476 -7.0913 -7.0894 -3.3182 -3.3126 -3.2832 -3.2558 -2.6908 -2.6776 -2.6342 -2.6246 -2.6009 -2.5868 -1.0232 -1.0193 -0.3553 -0.3532 0.9410 0.9613 1.0978 1.1070 1.8330 1.8400 2.0533 2.0689 2.4131 2.4218 2.8888 2.8979 3.2105 3.2300 3.3500 3.3694 3.7203 3.7324 3.9585 3.9605 8.2260 8.2359 8.8734 8.8773 9.2054 9.2190 9.9249 9.9398 k = 0.0000 0.0000 0.4968 ( 4475 PWs) bands (ev): -8.1300 -8.1298 -7.3798 -7.3790 -7.2555 -7.2542 -7.0995 -7.0976 -3.3183 -3.3138 -3.2835 -3.2564 -2.6922 -2.6768 -2.6345 -2.6241 -2.6008 -2.5863 -1.0165 -1.0128 -0.3859 -0.3833 0.8813 0.9011 1.1230 1.1325 1.8213 1.8321 2.0932 2.1133 2.4467 2.4573 2.9080 2.9168 3.2127 3.2333 3.3559 3.3763 3.7344 3.7478 3.9628 3.9647 8.2640 8.2717 8.8741 8.8812 9.1671 9.1807 9.9246 9.9405 k = 0.0000 0.0000 0.5167 ( 4481 PWs) bands (ev): -8.1034 -8.1032 -7.3966 -7.3958 -7.2618 -7.2606 -7.1080 -7.1061 -3.3184 -3.3146 -3.2839 -3.2573 -2.6934 -2.6757 -2.6354 -2.6235 -2.6008 -2.5860 -1.0094 -1.0057 -0.4150 -0.4118 0.8227 0.8418 1.1505 1.1603 1.7970 1.8101 2.1335 2.1564 2.4898 2.5022 2.9229 2.9331 3.2134 3.2347 3.3679 3.3883 3.7501 3.7648 3.9688 3.9704 8.2932 8.2979 8.8567 8.8687 9.1416 9.1548 9.9213 9.9380 k = 0.0000 0.0000 0.5366 ( 4473 PWs) bands (ev): -8.0765 -8.0762 -7.4136 -7.4129 -7.2678 -7.2665 -7.1167 -7.1148 -3.3186 -3.3149 -3.2844 -3.2584 -2.6943 -2.6745 -2.6367 -2.6228 -2.6010 -2.5856 -1.0016 -0.9978 -0.4426 -0.4387 0.7656 0.7838 1.1799 1.1902 1.7654 1.7800 2.1702 2.1945 2.5396 2.5533 2.9334 2.9464 3.2140 3.2362 3.3855 3.4058 3.7664 3.7823 3.9763 3.9776 8.3085 8.3098 8.8304 8.8478 9.1260 9.1388 9.9169 9.9340 k = 0.0000 0.0000 0.5564 ( 4481 PWs) bands (ev): -8.0492 -8.0490 -7.4309 -7.4303 -7.2733 -7.2720 -7.1255 -7.1237 -3.3188 -3.3148 -3.2849 -3.2597 -2.6949 -2.6732 -2.6384 -2.6221 -2.6013 -2.5855 -0.9933 -0.9893 -0.4684 -0.4639 0.7102 0.7276 1.2110 1.2220 1.7301 1.7459 2.2013 2.2260 2.5916 2.6065 2.9424 2.9579 3.2152 3.2383 3.4082 3.4286 3.7826 3.7995 3.9851 3.9863 8.3025 8.3043 8.8084 8.8305 9.1142 9.1268 9.9133 9.9305 k = 0.0000 0.0000 0.5763 ( 4481 PWs) bands (ev): -8.0218 -8.0215 -7.4486 -7.4479 -7.2784 -7.2771 -7.1343 -7.1326 -3.3190 -3.3142 -3.2855 -3.2612 -2.6953 -2.6718 -2.6403 -2.6215 -2.6016 -2.5854 -0.9844 -0.9802 -0.4925 -0.4874 0.6570 0.6733 1.2434 1.2552 1.6936 1.7107 2.2258 2.2501 2.6408 2.6565 2.9542 2.9715 3.2168 3.2406 3.4354 3.4564 3.7981 3.8159 3.9950 3.9961 8.2732 8.2769 8.8005 8.8257 9.1018 9.1142 9.9119 9.9288 k = 0.0000 0.0000 0.5962 ( 4485 PWs) bands (ev): -7.9942 -7.9939 -7.4665 -7.4659 -7.2830 -7.2818 -7.1432 -7.1415 -3.3190 -3.3135 -3.2862 -3.2630 -2.6954 -2.6702 -2.6425 -2.6213 -2.6019 -2.5855 -0.9749 -0.9706 -0.5147 -0.5090 0.6060 0.6213 1.2763 1.2894 1.6579 1.6764 2.2428 2.2663 2.6830 2.6984 2.9738 2.9914 3.2181 3.2429 3.4666 3.4883 3.8125 3.8311 4.0057 4.0068 8.2242 8.2282 8.8089 8.8350 9.0867 9.0989 9.9138 9.9301 k = 0.0000 0.0000 0.6161 ( 4487 PWs) bands (ev): -7.9666 -7.9663 -7.4848 -7.4842 -7.2871 -7.2859 -7.1519 -7.1503 -3.3189 -3.3125 -3.2870 -3.2650 -2.6952 -2.6686 -2.6449 -2.6214 -2.6019 -2.5856 -0.9651 -0.9607 -0.5351 -0.5288 0.5578 0.5718 1.3090 1.3239 1.6246 1.6450 2.2518 2.2739 2.7160 2.7300 3.0023 3.0191 3.2196 3.2461 3.5006 3.5231 3.8254 3.8448 4.0168 4.0179 8.1612 8.1646 8.8294 8.8550 9.0692 9.0811 9.9190 9.9344 k = 0.0000 0.0000 0.6359 ( 4493 PWs) bands (ev): -7.9390 -7.9387 -7.5035 -7.5029 -7.2907 -7.2895 -7.1603 -7.1588 -3.3184 -3.3115 -3.2879 -3.2671 -2.6948 -2.6671 -2.6472 -2.6220 -2.6018 -2.5859 -0.9551 -0.9506 -0.5534 -0.5466 0.5125 0.5253 1.3400 1.3573 1.5954 1.6185 2.2522 2.2727 2.7416 2.7534 3.0348 3.0514 3.2240 3.2530 3.5363 3.5595 3.8366 3.8567 4.0280 4.0292 8.0904 8.0928 8.8560 8.8800 9.0512 9.0627 9.9270 9.9413 k = 0.0000 0.0000 0.6558 ( 4497 PWs) bands (ev): -7.9116 -7.9112 -7.5226 -7.5219 -7.2938 -7.2927 -7.1684 -7.1670 -3.3178 -3.3103 -3.2889 -3.2695 -2.6940 -2.6657 -2.6494 -2.6230 -2.6013 -2.5863 -0.9450 -0.9406 -0.5697 -0.5626 0.4706 0.4821 1.3670 1.3873 1.5732 1.5993 2.2442 2.2629 2.7632 2.7730 3.0621 3.0797 3.2367 3.2676 3.5727 3.5964 3.8460 3.8666 4.0389 4.0402 8.0169 8.0183 8.8821 8.9031 9.0373 9.0479 9.9366 9.9493 k = 0.0000 0.0000 0.6757 ( 4505 PWs) bands (ev): -7.8844 -7.8839 -7.5422 -7.5414 -7.2964 -7.2954 -7.1761 -7.1747 -3.3169 -3.3090 -3.2899 -3.2719 -2.6930 -2.6649 -2.6512 -2.6245 -2.6007 -2.5868 -0.9352 -0.9309 -0.5839 -0.5767 0.4324 0.4426 1.3869 1.4093 1.5622 1.5907 2.2286 2.2455 2.7839 2.7924 3.0770 3.0944 3.2630 3.2926 3.6086 3.6325 3.8533 3.8744 4.0492 4.0506 7.9443 7.9453 8.8995 8.9148 9.0349 9.0440 9.9460 9.9570 k = 0.0000 0.0000 0.6956 ( 4497 PWs) bands (ev): -7.8575 -7.8570 -7.5621 -7.5613 -7.2985 -7.2975 -7.1830 -7.1818 -3.3158 -3.3077 -3.2908 -3.2745 -2.6917 -2.6649 -2.6520 -2.6263 -2.5998 -2.5875 -0.9258 -0.9217 -0.5960 -0.5889 0.3982 0.4070 1.3973 1.4186 1.5672 1.5947 2.2070 2.2221 2.8054 2.8134 3.0786 3.0942 3.3006 3.3262 3.6431 3.6669 3.8586 3.8799 4.0587 4.0601 7.8756 7.8768 8.9018 8.9105 9.0478 9.0566 9.9533 9.9623 k = 0.0000 0.0000 0.7154 ( 4483 PWs) bands (ev): -7.8311 -7.8305 -7.5824 -7.5816 -7.3001 -7.2993 -7.1892 -7.1882 -3.3144 -3.3066 -3.2917 -3.2771 -2.6901 -2.6660 -2.6516 -2.6284 -2.5988 -2.5882 -0.9172 -0.9134 -0.6059 -0.5992 0.3685 0.3759 1.3988 1.4161 1.5868 1.6102 2.1814 2.1946 2.8285 2.8364 3.0703 3.0840 3.3422 3.3629 3.6754 3.6988 3.8617 3.8829 4.0671 4.0684 7.8136 7.8150 8.8921 8.8966 9.0713 9.0805 9.9568 9.9636 k = 0.0000 0.0000 0.7353 ( 4473 PWs) bands (ev): -7.8053 -7.8047 -7.6031 -7.6023 -7.3014 -7.3007 -7.1945 -7.1936 -3.3130 -3.3056 -3.2923 -3.2797 -2.6883 -2.6681 -2.6502 -2.6307 -2.5977 -2.5890 -0.9096 -0.9062 -0.6137 -0.6078 0.3436 0.3496 1.3951 1.4077 1.6139 1.6325 2.1540 2.1654 2.8530 2.8611 3.0555 3.0677 3.3817 3.3979 3.7049 3.7272 3.8629 3.8835 4.0742 4.0754 7.7601 7.7616 8.8778 8.8801 9.0984 9.1069 9.9558 9.9606 k = 0.0000 0.0000 0.7552 ( 4479 PWs) bands (ev): -7.7804 -7.7798 -7.6239 -7.6231 -7.3022 -7.3017 -7.1988 -7.1981 -3.3114 -3.3051 -3.2924 -3.2823 -2.6862 -2.6706 -2.6482 -2.6332 -2.5965 -2.5899 -0.9033 -0.9005 -0.6194 -0.6146 0.3240 0.3286 1.3896 1.3983 1.6424 1.6564 2.1276 2.1369 2.8785 2.8869 3.0366 3.0477 3.4155 3.4275 3.7308 3.7510 3.8627 3.8816 4.0800 4.0810 7.7169 7.7182 8.8638 8.8650 9.1238 9.1309 9.9513 9.9546 k = 0.0000 0.0000 0.7750 ( 4490 PWs) bands (ev): -7.7571 -7.7565 -7.6441 -7.6434 -7.3028 -7.3024 -7.2019 -7.2014 -3.3099 -3.3052 -3.2919 -3.2847 -2.6840 -2.6734 -2.6460 -2.6358 -2.5954 -2.5909 -0.8984 -0.8964 -0.6231 -0.6197 0.3100 0.3130 1.3848 1.3903 1.6677 1.6774 2.1054 2.1121 2.9043 2.9128 3.0153 3.0254 3.4417 3.4496 3.7524 3.7686 3.8622 3.8775 4.0842 4.0849 7.6852 7.6862 8.8526 8.8532 9.1446 9.1495 9.9457 9.9477 k = 0.0000 0.0000 0.7949 ( 4478 PWs) bands (ev): -7.7375 -7.7370 -7.6619 -7.6613 -7.3030 -7.3028 -7.2037 -7.2035 -3.3083 -3.3058 -3.2908 -3.2870 -2.6815 -2.6761 -2.6435 -2.6384 -2.5942 -2.5919 -0.8952 -0.8941 -0.6249 -0.6231 0.3017 0.3033 1.3820 1.3847 1.6861 1.6911 2.0908 2.0944 2.9290 2.9365 2.9944 3.0027 3.4586 3.4626 3.7687 3.7781 3.8631 3.8720 4.0869 4.0873 7.6660 7.6665 8.8455 8.8457 9.1584 9.1610 9.9413 9.9422 k = 0.0000 0.0000 0.8148 ( 4478 PWs) bands (ev): -7.7281 -7.7281 -7.6701 -7.6701 -7.3030 -7.3030 -7.2043 -7.2043 -3.3069 -3.3069 -3.2891 -3.2891 -2.6789 -2.6789 -2.6410 -2.6410 -2.5930 -2.5930 -0.8937 -0.8937 -0.6249 -0.6249 0.2995 0.2995 1.3819 1.3819 1.6944 1.6944 2.0868 2.0868 2.9461 2.9461 2.9860 2.9860 3.4657 3.4657 3.7779 3.7779 3.8666 3.8666 4.0879 4.0879 7.6596 7.6596 8.8431 8.8431 9.1641 9.1641 9.9399 9.9399 k = 0.0000 0.0000 0.8148 ( 4478 PWs) bands (ev): -7.7281 -7.7281 -7.6701 -7.6701 -7.3030 -7.3030 -7.2043 -7.2043 -3.3069 -3.3069 -3.2891 -3.2891 -2.6789 -2.6789 -2.6410 -2.6410 -2.5930 -2.5930 -0.8937 -0.8937 -0.6249 -0.6249 0.2995 0.2995 1.3819 1.3819 1.6944 1.6944 2.0868 2.0868 2.9461 2.9461 2.9860 2.9860 3.4657 3.4657 3.7779 3.7779 3.8666 3.8666 4.0879 4.0879 7.6596 7.6596 8.8431 8.8431 9.1641 9.1641 9.9399 9.9399 k =-0.0116 0.0149 0.8148 ( 4480 PWs) bands (ev): -7.7280 -7.7280 -7.6703 -7.6703 -7.3030 -7.3029 -7.2045 -7.2043 -3.3082 -3.3058 -3.2928 -3.2856 -2.6816 -2.6769 -2.6444 -2.6374 -2.5947 -2.5917 -0.8915 -0.8909 -0.6238 -0.6234 0.2989 0.2997 1.3816 1.3823 1.6940 1.6950 2.0865 2.0874 2.9406 2.9461 2.9827 2.9879 3.4647 3.4656 3.7771 3.7777 3.8651 3.8664 4.0869 4.0875 7.6616 7.6620 8.8442 8.8443 9.1667 9.1700 9.9397 9.9408 k =-0.0232 0.0299 0.8148 ( 4478 PWs) bands (ev): -7.7276 -7.7276 -7.6710 -7.6709 -7.3030 -7.3028 -7.2049 -7.2045 -3.3099 -3.3051 -3.2966 -3.2825 -2.6853 -2.6758 -2.6475 -2.6339 -2.5967 -2.5908 -0.8841 -0.8830 -0.6202 -0.6194 0.2980 0.2995 1.3814 1.3829 1.6939 1.6958 2.0864 2.0881 2.9304 2.9396 2.9789 2.9876 3.4626 3.4644 3.7755 3.7766 3.8620 3.8646 4.0844 4.0856 7.6677 7.6686 8.8477 8.8479 9.1776 9.1841 9.9397 9.9421 k =-0.0348 0.0448 0.8148 ( 4474 PWs) bands (ev): -7.7270 -7.7270 -7.6721 -7.6719 -7.3028 -7.3025 -7.2055 -7.2050 -3.3119 -3.3050 -3.2998 -3.2799 -2.6899 -2.6755 -2.6500 -2.6307 -2.5989 -2.5902 -0.8718 -0.8701 -0.6141 -0.6130 0.2967 0.2989 1.3813 1.3836 1.6940 1.6969 2.0866 2.0891 2.9161 2.9269 2.9747 2.9849 3.4595 3.4621 3.7730 3.7746 3.8574 3.8611 4.0805 4.0823 7.6780 7.6794 8.8536 8.8538 9.1964 9.2060 9.9387 9.9426 k =-0.0465 0.0598 0.8148 ( 4476 PWs) bands (ev): -7.7263 -7.7262 -7.6736 -7.6734 -7.3024 -7.3020 -7.2063 -7.2056 -3.3145 -3.3065 -3.3012 -3.2777 -2.6953 -2.6759 -2.6517 -2.6278 -2.6014 -2.5899 -0.8547 -0.8525 -0.6056 -0.6041 0.2951 0.2979 1.3814 1.3843 1.6944 1.6982 2.0869 2.0903 2.8979 2.9088 2.9695 2.9795 3.4554 3.4589 3.7697 3.7717 3.8513 3.8562 4.0751 4.0774 7.6923 7.6942 8.8619 8.8621 9.2220 9.2346 9.9346 9.9404 k =-0.0581 0.0747 0.8148 ( 4474 PWs) bands (ev): -7.7254 -7.7253 -7.6755 -7.6752 -7.3019 -7.3014 -7.2073 -7.2064 -3.3180 -3.3090 -3.3013 -3.2760 -2.7015 -2.6771 -2.6527 -2.6253 -2.6042 -2.5900 -0.8329 -0.8301 -0.5947 -0.5929 0.2930 0.2965 1.3815 1.3852 1.6950 1.6997 2.0875 2.0917 2.8761 2.8861 2.9629 2.9719 3.4505 3.4549 3.7656 3.7680 3.8441 3.8499 4.0683 4.0712 7.7103 7.7128 8.8724 8.8729 9.2534 9.2687 9.9241 9.9323 k =-0.0697 0.0897 0.8148 ( 4474 PWs) bands (ev): -7.7243 -7.7243 -7.6778 -7.6775 -7.3012 -7.3006 -7.2084 -7.2074 -3.3222 -3.3113 -3.3010 -3.2749 -2.7083 -2.6787 -2.6532 -2.6233 -2.6071 -2.5905 -0.8067 -0.8034 -0.5816 -0.5794 0.2904 0.2946 1.3817 1.3862 1.6959 1.7016 2.0881 2.0932 2.8510 2.8596 2.9548 2.9623 3.4449 3.4500 3.7607 3.7634 3.8357 3.8423 4.0600 4.0634 7.7317 7.7348 8.8849 8.8858 9.2887 9.3065 9.9043 9.9155 k =-0.0813 0.1046 0.8148 ( 4470 PWs) bands (ev): -7.7233 -7.7232 -7.6805 -7.6801 -7.3003 -7.2996 -7.2096 -7.2085 -3.3269 -3.3134 -3.3008 -3.2742 -2.7153 -2.6808 -2.6533 -2.6216 -2.6101 -2.5913 -0.7764 -0.7727 -0.5663 -0.5638 0.2874 0.2923 1.3821 1.3873 1.6970 1.7037 2.0889 2.0948 2.8229 2.8297 2.9452 2.9509 3.4385 3.4444 3.7550 3.7579 3.8265 3.8337 4.0503 4.0542 7.7562 7.7600 8.8990 8.9005 9.3258 9.3457 9.8750 9.8888 k =-0.0929 0.1196 0.8148 ( 4474 PWs) bands (ev): -7.7224 -7.7222 -7.6834 -7.6830 -7.2990 -7.2983 -7.2108 -7.2097 -3.3317 -3.3154 -3.3007 -3.2740 -2.7225 -2.6832 -2.6533 -2.6204 -2.6132 -2.5924 -0.7423 -0.7382 -0.5491 -0.5462 0.2840 0.2894 1.3825 1.3884 1.6985 1.7061 2.0896 2.0965 2.7921 2.7971 2.9345 2.9382 3.4316 3.4382 3.7487 3.7517 3.8165 3.8243 4.0392 4.0436 7.7835 7.7880 8.9142 8.9165 9.3621 9.3836 9.8383 9.8543 k =-0.1045 0.1345 0.8148 ( 4472 PWs) bands (ev): -7.7218 -7.7215 -7.6866 -7.6861 -7.2974 -7.2967 -7.2121 -7.2109 -3.3365 -3.3173 -3.3008 -3.2742 -2.7297 -2.6859 -2.6532 -2.6195 -2.6162 -2.5938 -0.7049 -0.7003 -0.5300 -0.5269 0.2801 0.2861 1.3831 1.3897 1.7003 1.7089 2.0904 2.0981 2.7590 2.7624 2.9228 2.9246 3.4241 3.4314 3.7417 3.7446 3.8059 3.8141 4.0268 4.0316 7.8132 7.8184 8.9298 8.9328 9.3943 9.4162 9.7981 9.8159 k =-0.1162 0.1495 0.8148 ( 4472 PWs) bands (ev): -7.7216 -7.7213 -7.6899 -7.6893 -7.2955 -7.2947 -7.2133 -7.2121 -3.3412 -3.3192 -3.3010 -3.2749 -2.7366 -2.6888 -2.6531 -2.6199 -2.6180 -2.5953 -0.6645 -0.6596 -0.5092 -0.5059 0.2757 0.2822 1.3838 1.3910 1.7025 1.7120 2.0911 2.0996 2.7239 2.7264 2.9100 2.9109 3.4162 3.4241 3.7341 3.7369 3.7948 3.8034 4.0132 4.0185 7.8449 7.8508 8.9446 8.9486 9.4186 9.4392 9.7577 9.7774 k =-0.1278 0.1644 0.8148 ( 4474 PWs) bands (ev): -7.7222 -7.7218 -7.6929 -7.6922 -7.2932 -7.2923 -7.2145 -7.2132 -3.3457 -3.3212 -3.3014 -3.2758 -2.7433 -2.6920 -2.6532 -2.6226 -2.6178 -2.5971 -0.6217 -0.6166 -0.4871 -0.4834 0.2711 0.2779 1.3848 1.3926 1.7051 1.7155 2.0916 2.1010 2.6871 2.6899 2.8956 2.8981 3.4078 3.4163 3.7259 3.7284 3.7833 3.7924 3.9986 4.0043 7.8780 7.8847 8.9573 8.9622 9.4315 9.4487 9.7199 9.7419 k =-0.1394 0.1794 0.8148 ( 4478 PWs) bands (ev): -7.7240 -7.7234 -7.6954 -7.6947 -7.2904 -7.2895 -7.2155 -7.2142 -3.3499 -3.3232 -3.3021 -3.2770 -2.7494 -2.6954 -2.6533 -2.6254 -2.6175 -2.5989 -0.5772 -0.5719 -0.4636 -0.4597 0.2664 0.2733 1.3859 1.3944 1.7081 1.7194 2.0920 2.1022 2.6493 2.6532 2.8813 2.8854 3.3989 3.4081 3.7172 3.7193 3.7716 3.7811 3.9831 3.9891 7.9122 7.9196 8.9661 8.9719 9.4311 9.4433 9.6856 9.7104 k =-0.1510 0.1943 0.8148 ( 4474 PWs) bands (ev): -7.7270 -7.7265 -7.6971 -7.6965 -7.2872 -7.2863 -7.2163 -7.2151 -3.3537 -3.3252 -3.3029 -3.2784 -2.7551 -2.6990 -2.6536 -2.6281 -2.6173 -2.6009 -0.5317 -0.5262 -0.4392 -0.4350 0.2618 0.2686 1.3875 1.3966 1.7116 1.7238 2.0921 2.1032 2.6116 2.6167 2.8673 2.8730 3.3897 3.3994 3.7079 3.7096 3.7599 3.7697 3.9669 3.9732 7.9468 7.9551 8.9689 8.9752 9.4179 9.4261 9.6529 9.6798 k =-0.1510 0.1943 0.8148 ( 4474 PWs) bands (ev): -7.7270 -7.7265 -7.6971 -7.6965 -7.2872 -7.2863 -7.2163 -7.2151 -3.3537 -3.3252 -3.3029 -3.2784 -2.7551 -2.6990 -2.6536 -2.6281 -2.6173 -2.6009 -0.5317 -0.5262 -0.4392 -0.4350 0.2618 0.2686 1.3875 1.3966 1.7116 1.7238 2.0921 2.1032 2.6116 2.6167 2.8673 2.8730 3.3897 3.3994 3.7079 3.7096 3.7599 3.7697 3.9669 3.9732 7.9468 7.9551 8.9689 8.9752 9.4179 9.4261 9.6529 9.6798 k =-0.1597 0.2055 0.8006 ( 4478 PWs) bands (ev): -7.7207 -7.7204 -7.7093 -7.7088 -7.2773 -7.2765 -7.2218 -7.2206 -3.3561 -3.3259 -3.3035 -3.2807 -2.7582 -2.7028 -2.6528 -2.6298 -2.6182 -2.6029 -0.4989 -0.4939 -0.4158 -0.4087 0.2558 0.2616 1.3919 1.4006 1.7046 1.7173 2.1007 2.1102 2.5754 2.5809 2.8716 2.8766 3.3720 3.3822 3.7038 3.7099 3.7593 3.7760 3.9404 3.9469 7.9708 7.9796 8.9735 8.9801 9.3841 9.3909 9.6332 9.6616 k =-0.1685 0.2168 0.7864 ( 4472 PWs) bands (ev): -7.7302 -7.7298 -7.7066 -7.7063 -7.2667 -7.2660 -7.2270 -7.2259 -3.3584 -3.3268 -3.3039 -3.2830 -2.7609 -2.7067 -2.6520 -2.6316 -2.6190 -2.6049 -0.4774 -0.4679 -0.3844 -0.3732 0.2536 0.2582 1.3975 1.4061 1.6918 1.7052 2.1127 2.1209 2.5420 2.5480 2.8753 2.8799 3.3457 3.3560 3.6946 3.7035 3.7669 3.7877 3.9135 3.9204 7.9991 8.0086 8.9722 8.9788 9.3490 9.3561 9.6123 9.6407 k =-0.1772 0.2280 0.7721 ( 4486 PWs) bands (ev): -7.7442 -7.7438 -7.7001 -7.6998 -7.2561 -7.2557 -7.2313 -7.2304 -3.3604 -3.3279 -3.3042 -3.2854 -2.7631 -2.7106 -2.6513 -2.6333 -2.6199 -2.6068 -0.4638 -0.4504 -0.3446 -0.3309 0.2554 0.2587 1.4043 1.4130 1.6746 1.6886 2.1258 2.1330 2.5129 2.5193 2.8782 2.8825 3.3119 3.3220 3.6819 3.6914 3.7789 3.8020 3.8876 3.8956 8.0311 8.0412 8.9625 8.9687 9.3183 9.3259 9.5894 9.6172 k =-0.1859 0.2392 0.7579 ( 4487 PWs) bands (ev): -7.7581 -7.7577 -7.6940 -7.6938 -7.2487 -7.2483 -7.2318 -7.2315 -3.3622 -3.3291 -3.3043 -3.2877 -2.7649 -2.7145 -2.6506 -2.6349 -2.6209 -2.6085 -0.4554 -0.4392 -0.2998 -0.2849 0.2615 0.2634 1.4121 1.4210 1.6541 1.6687 2.1377 2.1443 2.4897 2.4963 2.8798 2.8840 3.2721 3.2820 3.6647 3.6742 3.7916 3.8173 3.8649 3.8752 8.0661 8.0768 8.9428 8.9482 9.2948 9.3025 9.5649 9.5920 k =-0.1946 0.2504 0.7437 ( 4487 PWs) bands (ev): -7.7716 -7.7712 -7.6888 -7.6885 -7.2495 -7.2485 -7.2244 -7.2238 -3.3638 -3.3304 -3.3044 -3.2898 -2.7663 -2.7183 -2.6500 -2.6364 -2.6220 -2.6101 -0.4506 -0.4321 -0.2526 -0.2373 0.2719 0.2724 1.4207 1.4300 1.6314 1.6463 2.1457 2.1523 2.4743 2.4806 2.8796 2.8840 3.2281 3.2377 3.6416 3.6514 3.8019 3.8287 3.8512 3.8627 8.1031 8.1144 8.9136 8.9182 9.2779 9.2855 9.5403 9.5669 k =-0.2034 0.2617 0.7295 ( 4491 PWs) bands (ev): -7.7845 -7.7841 -7.6842 -7.6839 -7.2538 -7.2527 -7.2128 -7.2123 -3.3652 -3.3319 -3.3046 -3.2917 -2.7674 -2.7220 -2.6496 -2.6378 -2.6230 -2.6113 -0.4486 -0.4283 -0.2045 -0.1890 0.2856 0.2867 1.4298 1.4397 1.6076 1.6226 2.1482 2.1552 2.4679 2.4735 2.8767 2.8817 3.1818 3.1913 3.6124 3.6225 3.8060 3.8231 3.8591 3.8624 8.1413 8.1531 8.8774 8.8811 9.2643 9.2721 9.5176 9.5439 k =-0.2121 0.2729 0.7153 ( 4489 PWs) bands (ev): -7.7968 -7.7964 -7.6803 -7.6799 -7.2588 -7.2577 -7.2004 -7.1998 -3.3664 -3.3336 -3.3051 -3.2930 -2.7680 -2.7256 -2.6494 -2.6390 -2.6240 -2.6124 -0.4489 -0.4271 -0.1564 -0.1411 0.3030 0.3056 1.4388 1.4497 1.5836 1.5985 2.1442 2.1523 2.4704 2.4755 2.8696 2.8760 3.1354 3.1452 3.5780 3.5883 3.8041 3.8140 3.8705 3.8772 8.1795 8.1918 8.8373 8.8405 9.2500 9.2582 9.4994 9.5252 k =-0.2208 0.2841 0.7010 ( 4492 PWs) bands (ev): -7.8083 -7.8080 -7.6769 -7.6765 -7.2639 -7.2628 -7.1878 -7.1873 -3.3673 -3.3353 -3.3061 -3.2936 -2.7684 -2.7288 -2.6496 -2.6403 -2.6247 -2.6132 -0.4512 -0.4281 -0.1090 -0.0940 0.3243 0.3283 1.4465 1.4594 1.5608 1.5756 2.1345 2.1442 2.4804 2.4856 2.8565 2.8650 3.0917 3.1024 3.5397 3.5502 3.8000 3.8071 3.8850 3.8952 8.2164 8.2293 8.7966 8.7992 9.2317 9.2406 9.4878 9.5126 k =-0.2295 0.2953 0.6868 ( 4499 PWs) bands (ev): -7.8192 -7.8188 -7.6739 -7.6734 -7.2691 -7.2680 -7.1755 -7.1750 -3.3681 -3.3371 -3.3077 -3.2935 -2.7686 -2.7317 -2.6500 -2.6418 -2.6250 -2.6139 -0.4552 -0.4310 -0.0629 -0.0483 0.3490 0.3543 1.4507 1.4669 1.5409 1.5568 2.1208 2.1324 2.4960 2.5022 2.8353 2.8461 3.0539 3.0661 3.4991 3.5096 3.7957 3.8023 3.9013 3.9134 8.2506 8.2640 8.7580 8.7601 9.2083 9.2177 9.4840 9.5074 k =-0.2383 0.3066 0.6726 ( 4497 PWs) bands (ev): -7.8293 -7.8289 -7.6713 -7.6707 -7.2741 -7.2730 -7.1636 -7.1631 -3.3687 -3.3389 -3.3096 -3.2928 -2.7688 -2.7341 -2.6506 -2.6436 -2.6247 -2.6145 -0.4604 -0.4354 -0.0186 -0.0045 0.3764 0.3829 1.4477 1.4682 1.5281 1.5467 2.1048 2.1184 2.5148 2.5228 2.8048 2.8176 3.0246 3.0385 3.4574 3.4680 3.7918 3.7986 3.9183 3.9314 8.2807 8.2946 8.7237 8.7254 9.1800 9.1896 9.4878 9.5094 k =-0.2470 0.3178 0.6584 ( 4503 PWs) bands (ev): -7.8386 -7.8382 -7.6689 -7.6683 -7.2789 -7.2779 -7.1524 -7.1517 -3.3691 -3.3407 -3.3117 -3.2918 -2.7691 -2.7359 -2.6514 -2.6456 -2.6239 -2.6149 -0.4666 -0.4410 0.0236 0.0370 0.4057 0.4133 1.4365 1.4582 1.5274 1.5474 2.0881 2.1036 2.5348 2.5448 2.7670 2.7804 3.0041 3.0193 3.4158 3.4264 3.7883 3.7956 3.9353 3.9490 8.3049 8.3194 8.6960 8.6973 9.1484 9.1579 9.4982 9.5176 k =-0.2557 0.3290 0.6442 ( 4493 PWs) bands (ev): -7.8471 -7.8467 -7.6667 -7.6660 -7.2836 -7.2826 -7.1418 -7.1411 -3.3694 -3.3425 -3.3139 -3.2905 -2.7696 -2.7368 -2.6524 -2.6477 -2.6227 -2.6152 -0.4733 -0.4474 0.0631 0.0758 0.4359 0.4445 1.4201 1.4403 1.5361 1.5560 2.0717 2.0890 2.5524 2.5647 2.7266 2.7392 2.9906 3.0066 3.3752 3.3857 3.7849 3.7928 3.9520 3.9659 8.3221 8.3371 8.6764 8.6774 9.1151 9.1241 9.5138 9.5310 k =-0.2644 0.3402 0.6300 ( 4495 PWs) bands (ev): -7.8547 -7.8544 -7.6646 -7.6638 -7.2881 -7.2871 -7.1322 -7.1314 -3.3696 -3.3442 -3.3161 -3.2891 -2.7705 -2.7369 -2.6540 -2.6495 -2.6212 -2.6155 -0.4804 -0.4544 0.0996 0.1117 0.4660 0.4754 1.4021 1.4201 1.5493 1.5692 2.0564 2.0753 2.5602 2.5754 2.6932 2.7033 2.9813 2.9982 3.3362 3.3468 3.7817 3.7902 3.9682 3.9820 8.3317 8.3472 8.6658 8.6667 9.0814 9.0898 9.5334 9.5480 k =-0.2732 0.3515 0.6157 ( 4485 PWs) bands (ev): -7.8615 -7.8612 -7.6626 -7.6617 -7.2923 -7.2914 -7.1235 -7.1226 -3.3697 -3.3458 -3.3182 -3.2875 -2.7718 -2.7361 -2.6563 -2.6506 -2.6196 -2.6157 -0.4876 -0.4616 0.1329 0.1444 0.4948 0.5047 1.3850 1.4007 1.5648 1.5851 2.0426 2.0631 2.5454 2.5632 2.6793 2.6899 2.9745 2.9924 3.2997 3.3103 3.7784 3.7875 3.9836 3.9971 8.3347 8.3505 8.6639 8.6646 9.0484 9.0561 9.5552 9.5672 k =-0.2819 0.3627 0.6015 ( 4485 PWs) bands (ev): -7.8674 -7.8670 -7.6606 -7.6597 -7.2963 -7.2954 -7.1159 -7.1149 -3.3698 -3.3472 -3.3202 -3.2859 -2.7734 -2.7346 -2.6592 -2.6511 -2.6181 -2.6157 -0.4945 -0.4688 0.1627 0.1736 0.5208 0.5310 1.3701 1.3834 1.5820 1.6029 2.0308 2.0525 2.5083 2.5268 2.6866 2.7009 2.9688 2.9882 3.2661 3.2769 3.7752 3.7848 3.9981 4.0110 8.3333 8.3493 8.6688 8.6693 9.0170 9.0237 9.5774 9.5866 k =-0.2906 0.3739 0.5873 ( 4488 PWs) bands (ev): -7.8723 -7.8720 -7.6586 -7.6577 -7.3000 -7.2991 -7.1094 -7.1083 -3.3698 -3.3484 -3.3221 -3.2843 -2.7752 -2.7324 -2.6624 -2.6514 -2.6169 -2.6151 -0.5012 -0.4758 0.1886 0.1991 0.5428 0.5532 1.3585 1.3692 1.6005 1.6221 2.0212 2.0438 2.4618 2.4800 2.7044 2.7219 2.9638 2.9851 3.2361 3.2471 3.7719 3.7821 4.0115 4.0237 8.3300 8.3462 8.6785 8.6789 8.9875 8.9933 9.5977 9.6046 k =-0.2993 0.3851 0.5731 ( 4489 PWs) bands (ev): -7.8764 -7.8761 -7.6566 -7.6557 -7.3034 -7.3025 -7.1040 -7.1029 -3.3699 -3.3494 -3.3238 -3.2827 -2.7771 -2.7297 -2.6657 -2.6513 -2.6166 -2.6138 -0.5072 -0.4824 0.2103 0.2207 0.5597 0.5701 1.3506 1.3586 1.6202 1.6426 2.0139 2.0371 2.4134 2.4310 2.7257 2.7460 2.9591 2.9828 3.2100 3.2213 3.7685 3.7793 4.0236 4.0350 8.3273 8.3436 8.6908 8.6917 8.9605 8.9653 9.6128 9.6195 k =-0.3081 0.3964 0.5589 ( 4487 PWs) bands (ev): -7.8796 -7.8793 -7.6546 -7.6536 -7.3066 -7.3057 -7.0998 -7.0986 -3.3701 -3.3502 -3.3253 -3.2812 -2.7790 -2.7266 -2.6691 -2.6511 -2.6165 -2.6121 -0.5126 -0.4885 0.2274 0.2379 0.5708 0.5810 1.3468 1.3521 1.6409 1.6642 2.0089 2.0321 2.3663 2.3833 2.7477 2.7706 2.9549 2.9813 3.1884 3.2001 3.7652 3.7765 4.0344 4.0448 8.3269 8.3433 8.7046 8.7063 8.9359 8.9398 9.6204 9.6292 k =-0.3168 0.4076 0.5447 ( 4489 PWs) bands (ev): -7.8818 -7.8815 -7.6526 -7.6516 -7.3094 -7.3085 -7.0969 -7.0957 -3.3703 -3.3507 -3.3265 -3.2798 -2.7808 -2.7232 -2.6725 -2.6508 -2.6165 -2.6105 -0.5173 -0.4938 0.2396 0.2503 0.5755 0.5856 1.3468 1.3495 1.6624 1.6865 2.0059 2.0285 2.3226 2.3389 2.7689 2.7939 2.9515 2.9807 3.1718 3.1836 3.7620 3.7737 4.0436 4.0530 8.3301 8.3466 8.7191 8.7218 8.9138 8.9168 9.6193 9.6308 k =-0.3255 0.4188 0.5304 ( 4494 PWs) bands (ev): -7.8831 -7.8828 -7.6505 -7.6495 -7.3119 -7.3110 -7.0952 -7.0940 -3.3707 -3.3509 -3.3275 -3.2784 -2.7825 -2.7196 -2.6759 -2.6503 -2.6164 -2.6090 -0.5210 -0.4984 0.2465 0.2576 0.5743 0.5843 1.3493 1.3512 1.6844 1.7090 2.0047 2.0259 2.2841 2.2996 2.7883 2.8148 2.9501 2.9813 3.1605 3.1723 3.7588 3.7710 4.0513 4.0595 8.3377 8.3542 8.7339 8.7375 8.8940 8.8964 9.6087 9.6219 k =-0.3255 0.4188 0.5304 ( 4494 PWs) bands (ev): -7.8831 -7.8828 -7.6505 -7.6495 -7.3119 -7.3110 -7.0952 -7.0940 -3.3707 -3.3509 -3.3275 -3.2784 -2.7825 -2.7196 -2.6759 -2.6503 -2.6164 -2.6090 -0.5210 -0.4984 0.2465 0.2576 0.5743 0.5843 1.3493 1.3512 1.6844 1.7090 2.0047 2.0259 2.2841 2.2996 2.7883 2.8148 2.9501 2.9813 3.1605 3.1723 3.7588 3.7710 4.0513 4.0595 8.3377 8.3542 8.7339 8.7375 8.8940 8.8964 9.6087 9.6219 k =-0.3167 0.4075 0.5161 ( 4490 PWs) bands (ev): -7.8943 -7.8940 -7.6359 -7.6349 -7.3162 -7.3153 -7.0920 -7.0907 -3.3725 -3.3491 -3.3246 -3.2772 -2.7814 -2.7192 -2.6748 -2.6464 -2.6175 -2.6078 -0.5376 -0.5164 0.2709 0.2811 0.5831 0.5914 1.3204 1.3217 1.6700 1.6946 1.9836 2.0044 2.2823 2.2970 2.7791 2.8064 2.9672 2.9988 3.1250 3.1378 3.7754 3.7871 4.0625 4.0704 8.3906 8.4063 8.7953 8.7992 8.9458 8.9478 9.6230 9.6358 k =-0.3079 0.3962 0.5018 ( 4494 PWs) bands (ev): -7.9078 -7.9075 -7.6204 -7.6195 -7.3187 -7.3179 -7.0887 -7.0874 -3.3739 -3.3472 -3.3214 -3.2761 -2.7800 -2.7184 -2.6737 -2.6425 -2.6186 -2.6066 -0.5567 -0.5370 0.2822 0.2909 0.6094 0.6153 1.2910 1.2917 1.6570 1.6815 1.9644 1.9849 2.2766 2.2906 2.7729 2.8009 2.9875 3.0188 3.0909 3.1046 3.7878 3.7989 4.0713 4.0788 8.4442 8.4591 8.8544 8.8584 8.9947 8.9961 9.6341 9.6465 k =-0.2991 0.3849 0.4874 ( 4488 PWs) bands (ev): -7.9235 -7.9232 -7.6040 -7.6031 -7.3195 -7.3188 -7.0853 -7.0840 -3.3749 -3.3453 -3.3181 -3.2751 -2.7782 -2.7173 -2.6724 -2.6385 -2.6198 -2.6056 -0.5779 -0.5597 0.2816 0.2891 0.6506 0.6540 1.2612 1.2615 1.6452 1.6696 1.9472 1.9672 2.2671 2.2804 2.7701 2.7987 3.0096 3.0363 3.0630 3.0740 3.7957 3.8060 4.0777 4.0847 8.4979 8.5118 8.9101 8.9143 9.0405 9.0414 9.6421 9.6540 k =-0.2903 0.3735 0.4731 ( 4494 PWs) bands (ev): -7.9411 -7.9409 -7.5870 -7.5860 -7.3187 -7.3180 -7.0819 -7.0806 -3.3755 -3.3434 -3.3145 -3.2741 -2.7761 -2.7160 -2.6709 -2.6346 -2.6210 -2.6046 -0.6008 -0.5842 0.2729 0.2797 0.7017 0.7032 1.2314 1.2319 1.6348 1.6591 1.9317 1.9511 2.2539 2.2668 2.7706 2.8000 3.0175 3.0281 3.0520 3.0752 3.7988 3.8083 4.0817 4.0883 8.5504 8.5634 8.9619 8.9662 9.0835 9.0840 9.6472 9.6586 k =-0.2815 0.3622 0.4588 ( 4484 PWs) bands (ev): -7.9605 -7.9603 -7.5692 -7.5683 -7.3163 -7.3156 -7.0784 -7.0771 -3.3756 -3.3414 -3.3108 -3.2733 -2.7736 -2.7145 -2.6692 -2.6309 -2.6222 -2.6037 -0.6251 -0.6099 0.2597 0.2663 0.7578 0.7586 1.2026 1.2035 1.6256 1.6497 1.9177 1.9364 2.2380 2.2507 2.7738 2.8043 2.9899 3.0090 3.0706 3.1018 3.7971 3.8057 4.0834 4.0896 8.6007 8.6125 9.0086 9.0129 9.1246 9.1253 9.6496 9.6606 k =-0.2727 0.3509 0.4444 ( 4493 PWs) bands (ev): -7.9815 -7.9812 -7.5509 -7.5500 -7.3127 -7.3119 -7.0750 -7.0736 -3.3752 -3.3393 -3.3070 -3.2726 -2.7707 -2.7128 -2.6674 -2.6279 -2.6228 -2.6030 -0.6504 -0.6366 0.2444 0.2510 0.8151 0.8166 1.1760 1.1775 1.6175 1.6413 1.9046 1.9226 2.2202 2.2330 2.7790 2.8109 2.9627 2.9851 3.0999 3.1318 3.7905 3.7982 4.0830 4.0887 8.6470 8.6575 9.0490 9.0536 9.1653 9.1666 9.6498 9.6605 k =-0.2639 0.3396 0.4301 ( 4493 PWs) bands (ev): -8.0036 -8.0034 -7.5321 -7.5313 -7.3078 -7.3070 -7.0715 -7.0702 -3.3743 -3.3371 -3.3031 -3.2719 -2.7676 -2.7109 -2.6654 -2.6271 -2.6214 -2.6023 -0.6764 -0.6640 0.2286 0.2352 0.8705 0.8725 1.1540 1.1561 1.6101 1.6336 1.8919 1.9091 2.2018 2.2149 2.7852 2.8191 2.9385 2.9642 3.1318 3.1640 3.7789 3.7859 4.0803 4.0858 8.6875 8.6966 9.0826 9.0875 9.2071 9.2092 9.6481 9.6587 k =-0.2551 0.3283 0.4157 ( 4503 PWs) bands (ev): -8.0268 -8.0266 -7.5130 -7.5121 -7.3019 -7.3010 -7.0680 -7.0667 -3.3731 -3.3349 -3.2992 -3.2715 -2.7641 -2.7089 -2.6633 -2.6282 -2.6184 -2.6017 -0.7029 -0.6917 0.2130 0.2197 0.9182 0.9205 1.1413 1.1443 1.6034 1.6265 1.8788 1.8953 2.1839 2.1976 2.7917 2.8275 2.9184 2.9475 3.1656 3.1979 3.7624 3.7691 4.0757 4.0811 8.7202 8.7277 9.1093 9.1148 9.2504 9.2535 9.6450 9.6553 k =-0.2463 0.3169 0.4014 ( 4493 PWs) bands (ev): -8.0508 -8.0505 -7.4936 -7.4927 -7.2951 -7.2941 -7.0645 -7.0632 -3.3713 -3.3325 -3.2954 -3.2711 -2.7603 -2.7068 -2.6610 -2.6297 -2.6152 -2.6012 -0.7297 -0.7195 0.1983 0.2051 0.9493 0.9517 1.1460 1.1500 1.5971 1.6199 1.8645 1.8804 2.1677 2.1820 2.7979 2.8345 2.9044 2.9354 3.2008 3.2334 3.7413 3.7482 4.0692 4.0748 8.7427 8.7487 9.1302 9.1364 9.2941 9.2990 9.6398 9.6491 k =-0.2375 0.3056 0.3871 ( 4487 PWs) bands (ev): -8.0753 -8.0750 -7.4739 -7.4731 -7.2876 -7.2865 -7.0611 -7.0598 -3.3692 -3.3301 -3.2916 -3.2709 -2.7562 -2.7046 -2.6586 -2.6313 -2.6121 -2.6007 -0.7564 -0.7470 0.1847 0.1916 0.9580 0.9604 1.1736 1.1782 1.5912 1.6136 1.8485 1.8640 2.1537 2.1688 2.8040 2.8382 2.8983 2.9282 3.2372 3.2700 3.7159 3.7234 4.0611 4.0671 8.7534 8.7578 9.1455 9.1526 9.3351 9.3430 9.6291 9.6328 k =-0.2287 0.2943 0.3727 ( 4491 PWs) bands (ev): -8.1002 -8.0999 -7.4542 -7.4533 -7.2795 -7.2783 -7.0577 -7.0565 -3.3666 -3.3276 -3.2879 -3.2707 -2.7518 -2.7023 -2.6561 -2.6330 -2.6093 -2.6003 -0.7830 -0.7740 0.1726 0.1796 0.9501 0.9525 1.2174 1.2221 1.5855 1.6074 1.8307 1.8460 2.1424 2.1582 2.8104 2.8381 2.9007 2.9253 3.2746 3.3077 3.6867 3.6950 4.0516 4.0583 8.7507 8.7540 9.1543 9.1620 9.3664 9.3790 9.5974 9.6110 k =-0.2199 0.2830 0.3584 ( 4489 PWs) bands (ev): -8.1253 -8.1250 -7.4343 -7.4335 -7.2709 -7.2697 -7.0543 -7.0531 -3.3638 -3.3250 -3.2844 -3.2707 -2.7471 -2.7000 -2.6537 -2.6347 -2.6069 -2.5998 -0.8093 -0.8004 0.1620 0.1692 0.9343 0.9367 1.2680 1.2724 1.5799 1.6013 1.8114 1.8265 2.1337 2.1503 2.8180 2.8370 2.9089 2.9260 3.3128 3.3463 3.6541 3.6636 4.0412 4.0488 8.7343 8.7368 9.1523 9.1603 9.3771 9.3935 9.5761 9.5971 k =-0.2111 0.2717 0.3441 ( 4481 PWs) bands (ev): -8.1504 -8.1500 -7.4145 -7.4137 -7.2620 -7.2607 -7.0510 -7.0499 -3.3606 -3.3224 -3.2811 -3.2708 -2.7422 -2.6975 -2.6513 -2.6365 -2.6052 -2.5991 -0.8351 -0.8259 0.1531 0.1605 0.9157 0.9181 1.3191 1.3230 1.5745 1.5950 1.7916 1.8064 2.1271 2.1447 2.8267 2.8380 2.9200 2.9305 3.3514 3.3854 3.6188 3.6295 4.0300 4.0390 8.7042 8.7067 9.1315 9.1391 9.3680 9.3827 9.5869 9.6055 k =-0.2023 0.2603 0.3297 ( 4481 PWs) bands (ev): -8.1753 -8.1749 -7.3948 -7.3940 -7.2528 -7.2515 -7.0478 -7.0467 -3.3571 -3.3198 -3.2780 -3.2709 -2.7370 -2.6950 -2.6490 -2.6382 -2.6042 -2.5979 -0.8601 -0.8505 0.1460 0.1536 0.8965 0.8990 1.3670 1.3699 1.5691 1.5886 1.7729 1.7868 2.1223 2.1407 2.8335 2.8444 2.9308 2.9412 3.3904 3.4250 3.5814 3.5933 4.0187 4.0291 8.6615 8.6643 9.0850 9.0917 9.3576 9.3692 9.6129 9.6251 k =-0.1935 0.2490 0.3154 ( 4477 PWs) bands (ev): -8.1999 -8.1996 -7.3752 -7.3744 -7.2435 -7.2421 -7.0447 -7.0436 -3.3534 -3.3172 -3.2753 -3.2709 -2.7316 -2.6923 -2.6468 -2.6399 -2.6039 -2.5965 -0.8844 -0.8740 0.1407 0.1485 0.8780 0.8806 1.4079 1.4104 1.5636 1.5819 1.7579 1.7701 2.1186 2.1380 2.8376 2.8547 2.9426 2.9589 3.4295 3.4649 3.5426 3.5556 4.0076 4.0197 8.6075 8.6107 9.0154 9.0213 9.3556 9.3653 9.6385 9.6451 k =-0.1847 0.2377 0.3011 ( 4487 PWs) bands (ev): -8.2242 -8.2238 -7.3559 -7.3551 -7.2341 -7.2327 -7.0416 -7.0406 -3.3495 -3.3146 -3.2734 -3.2707 -2.7260 -2.6896 -2.6449 -2.6414 -2.6041 -2.5951 -0.9076 -0.8964 0.1373 0.1454 0.8608 0.8634 1.4373 1.4428 1.5567 1.5748 1.7496 1.7592 2.1157 2.1361 2.8406 2.8630 2.9605 2.9819 3.4676 3.5038 3.5044 3.5175 3.9972 4.0111 8.5436 8.5470 8.9311 8.9369 9.3593 9.3685 9.6617 9.6649 k =-0.1759 0.2264 0.2867 ( 4491 PWs) bands (ev): -8.2479 -8.2475 -7.3369 -7.3362 -7.2248 -7.2234 -7.0386 -7.0377 -3.3454 -3.3121 -3.2727 -3.2694 -2.7203 -2.6868 -2.6442 -2.6419 -2.6045 -2.5938 -0.9297 -0.9177 0.1358 0.1442 0.8454 0.8480 1.4534 1.4640 1.5465 1.5669 1.7510 1.7577 2.1134 2.1346 2.8421 2.8664 2.9866 3.0102 3.4618 3.4780 3.5093 3.5446 3.9877 4.0037 8.4710 8.4747 8.8391 8.8453 9.3646 9.3740 9.6850 9.6863 k =-0.1672 0.2151 0.2724 ( 4489 PWs) bands (ev): -8.2710 -8.2706 -7.3182 -7.3175 -7.2156 -7.2141 -7.0358 -7.0349 -3.3412 -3.3097 -3.2727 -3.2677 -2.7144 -2.6838 -2.6453 -2.6406 -2.6052 -2.5927 -0.9506 -0.9377 0.1362 0.1449 0.8320 0.8346 1.4573 1.4727 1.5322 1.5561 1.7624 1.7678 2.1115 2.1333 2.8416 2.8650 3.0201 3.0434 3.4241 3.4404 3.5469 3.5838 3.9796 3.9978 8.3913 8.3951 8.7437 8.7503 9.3682 9.3782 9.7102 9.7106 k =-0.1584 0.2037 0.2580 ( 4485 PWs) bands (ev): -8.2933 -8.2930 -7.3000 -7.2994 -7.2065 -7.2051 -7.0331 -7.0323 -3.3370 -3.3074 -3.2730 -3.2661 -2.7084 -2.6808 -2.6467 -2.6391 -2.6061 -2.5918 -0.9702 -0.9565 0.1385 0.1475 0.8209 0.8234 1.4520 1.4695 1.5157 1.5409 1.7816 1.7875 2.1098 2.1319 2.8391 2.8600 3.0581 3.0799 3.3891 3.4053 3.5846 3.6226 3.9731 3.9937 8.3057 8.3095 8.6475 8.6545 9.3681 9.3788 9.7381 9.7384 k =-0.1496 0.1924 0.2437 ( 4489 PWs) bands (ev): -8.3149 -8.3146 -7.2823 -7.2817 -7.1977 -7.1963 -7.0304 -7.0297 -3.3328 -3.3053 -3.2733 -3.2648 -2.7025 -2.6777 -2.6480 -2.6377 -2.6072 -2.5912 -0.9884 -0.9741 0.1426 0.1520 0.8123 0.8147 1.4397 1.4556 1.4998 1.5220 1.8056 1.8125 2.1080 2.1302 2.8349 2.8528 3.0963 3.1166 3.3606 3.3758 3.6215 3.6605 3.9684 3.9913 8.2155 8.2192 8.5521 8.5595 9.3629 9.3742 9.7690 9.7696 k =-0.1408 0.1811 0.2294 ( 4481 PWs) bands (ev): -8.3356 -8.3353 -7.2652 -7.2647 -7.1891 -7.1877 -7.0280 -7.0273 -3.3285 -3.3033 -3.2735 -3.2638 -2.6966 -2.6745 -2.6493 -2.6363 -2.6084 -2.5908 -1.0053 -0.9905 0.1484 0.1581 0.8062 0.8084 1.4220 1.4344 1.4846 1.5012 1.8315 1.8392 2.1058 2.1276 2.8299 2.8446 3.1273 3.1463 3.3455 3.3579 3.6575 3.6975 3.9655 3.9908 8.1217 8.1253 8.4587 8.4664 9.3515 9.3633 9.8030 9.8038 k =-0.1320 0.1698 0.2150 ( 4481 PWs) bands (ev): -8.3554 -8.3551 -7.2487 -7.2482 -7.1808 -7.1795 -7.0257 -7.0251 -3.3244 -3.3014 -3.2738 -3.2631 -2.6908 -2.6714 -2.6504 -2.6351 -2.6098 -2.5907 -1.0209 -1.0056 0.1559 0.1659 0.8028 0.8048 1.3993 1.4098 1.4689 1.4794 1.8573 1.8654 2.1026 2.1238 2.8248 2.8365 3.1408 3.1592 3.3536 3.3613 3.6924 3.7334 3.9643 3.9921 8.0256 8.0290 8.3683 8.3762 9.3335 9.3455 9.8396 9.8407 k =-0.1232 0.1585 0.2007 ( 4483 PWs) bands (ev): -8.3741 -8.3738 -7.2330 -7.2325 -7.1729 -7.1717 -7.0235 -7.0230 -3.3203 -3.2997 -3.2740 -3.2627 -2.6852 -2.6682 -2.6513 -2.6338 -2.6114 -2.5909 -1.0350 -1.0196 0.1650 0.1752 0.8022 0.8040 1.3727 1.3842 1.4517 1.4574 1.8820 1.8902 2.0978 2.1181 2.8206 2.8295 3.1331 3.1518 3.3861 3.3903 3.7260 3.7679 3.9647 3.9949 7.9283 7.9314 8.2815 8.2894 9.3092 9.3211 9.8783 9.8797 k =-0.1144 0.1472 0.1864 ( 4487 PWs) bands (ev): -8.3918 -8.3915 -7.2180 -7.2176 -7.1655 -7.1642 -7.0215 -7.0210 -3.3163 -3.2981 -3.2741 -3.2627 -2.6799 -2.6651 -2.6521 -2.6325 -2.6130 -2.5912 -1.0479 -1.0323 0.1754 0.1858 0.8044 0.8060 1.3441 1.3577 1.4322 1.4357 1.9050 1.9130 2.0910 2.1102 2.8179 2.8246 3.1120 3.1310 3.4340 3.4377 3.7581 3.8010 3.9666 3.9990 7.8307 7.8335 8.1989 8.2067 9.2791 9.2907 9.9184 9.9203 k =-0.1056 0.1358 0.1720 ( 4481 PWs) bands (ev): -8.4083 -8.4081 -7.2038 -7.2034 -7.1584 -7.1572 -7.0196 -7.0193 -3.3125 -3.2967 -3.2742 -3.2629 -2.6749 -2.6622 -2.6526 -2.6310 -2.6148 -2.5917 -1.0594 -1.0440 0.1870 0.1976 0.8095 0.8109 1.3148 1.3305 1.4100 1.4147 1.9260 1.9337 2.0818 2.0998 2.8172 2.8224 3.0856 3.1044 3.4901 3.4941 3.7886 3.8323 3.9697 4.0043 7.7339 7.7364 8.1210 8.1285 9.2446 9.2555 9.9593 9.9617 k =-0.0968 0.1245 0.1577 ( 4477 PWs) bands (ev): -8.4237 -8.4235 -7.1904 -7.1902 -7.1518 -7.1507 -7.0180 -7.0176 -3.3088 -3.2954 -3.2743 -3.2634 -2.6702 -2.6596 -2.6529 -2.6294 -2.6167 -2.5924 -1.0696 -1.0545 0.1996 0.2102 0.8175 0.8187 1.2857 1.3029 1.3864 1.3930 1.9450 1.9521 2.0702 2.0869 2.8187 2.8231 3.0576 3.0760 3.5502 3.5543 3.8176 3.8619 3.9738 4.0103 7.6390 7.6412 8.0480 8.0553 9.2069 9.2170 10.0001 10.0032 k =-0.0880 0.1132 0.1434 ( 4481 PWs) bands (ev): -8.4379 -8.4377 -7.1780 -7.1778 -7.1457 -7.1447 -7.0165 -7.0162 -3.3054 -3.2941 -3.2744 -3.2642 -2.6660 -2.6574 -2.6529 -2.6275 -2.6187 -2.5932 -1.0785 -1.0640 0.2129 0.2235 0.8282 0.8295 1.2572 1.2753 1.3617 1.3699 1.9619 1.9684 2.0565 2.0718 2.8225 2.8266 3.0301 3.0477 3.6114 3.6158 3.8448 3.8895 3.9786 4.0167 7.5469 7.5488 7.9805 7.9873 9.1675 9.1767 10.0400 10.0437 k =-0.0792 0.1019 0.1290 ( 4489 PWs) bands (ev): -8.4509 -8.4507 -7.1666 -7.1665 -7.1401 -7.1392 -7.0152 -7.0149 -3.3021 -3.2930 -3.2745 -3.2652 -2.6623 -2.6558 -2.6525 -2.6255 -2.6206 -2.5941 -1.0863 -1.0725 0.2267 0.2371 0.8418 0.8432 1.2298 1.2483 1.3362 1.3455 1.9763 1.9823 2.0417 2.0552 2.8284 2.8325 3.0040 3.0206 3.6719 3.6766 3.8703 3.9150 3.9839 4.0233 7.4587 7.4603 7.9185 7.9249 9.1279 9.1361 10.0782 10.0825 k =-0.0704 0.0906 0.1147 ( 4495 PWs) bands (ev): -8.4625 -8.4624 -7.1562 -7.1561 -7.1351 -7.1343 -7.0140 -7.0138 -3.2991 -3.2919 -3.2747 -3.2663 -2.6590 -2.6548 -2.6516 -2.6242 -2.6217 -2.5950 -1.0929 -1.0801 0.2406 0.2508 0.8580 0.8598 1.2039 1.2222 1.3097 1.3198 1.9871 1.9931 2.0282 2.0385 2.8358 2.8401 2.9799 2.9953 3.7302 3.7352 3.8943 3.9383 3.9894 4.0297 7.3755 7.3768 7.8625 7.8683 9.0892 9.0965 10.1139 10.1187 k =-0.0616 0.0792 0.1004 ( 4495 PWs) bands (ev): -8.4729 -8.4727 -7.1469 -7.1469 -7.1306 -7.1298 -7.0131 -7.0128 -3.2963 -3.2907 -3.2748 -3.2676 -2.6562 -2.6540 -2.6507 -2.6257 -2.6198 -2.5959 -1.0985 -1.0868 0.2544 0.2640 0.8767 0.8791 1.1799 1.1974 1.2823 1.2928 1.9887 1.9974 2.0219 2.0261 2.8444 2.8486 2.9583 2.9722 3.7846 3.7904 3.9169 3.9593 3.9952 4.0357 7.2983 7.2994 7.8126 7.8178 9.0527 9.0590 10.1465 10.1514 k =-0.0528 0.0679 0.0860 ( 4495 PWs) bands (ev): -8.4819 -8.4818 -7.1387 -7.1387 -7.1267 -7.1260 -7.0123 -7.0121 -3.2937 -3.2896 -3.2751 -3.2691 -2.6543 -2.6528 -2.6499 -2.6278 -2.6173 -2.5968 -1.1030 -1.0926 0.2677 0.2766 0.8979 0.9008 1.1581 1.1744 1.2539 1.2646 1.9787 1.9895 2.0247 2.0264 2.8533 2.8575 2.9394 2.9516 3.8334 3.8405 3.9385 3.9777 4.0014 4.0410 7.2282 7.2291 7.7690 7.7736 9.0193 9.0246 10.1752 10.1800 k =-0.0440 0.0566 0.0717 ( 4491 PWs) bands (ev): -8.4896 -8.4895 -7.1317 -7.1317 -7.1233 -7.1228 -7.0116 -7.0114 -3.2914 -3.2885 -3.2754 -3.2705 -2.6532 -2.6509 -2.6492 -2.6301 -2.6146 -2.5978 -1.1066 -1.0976 0.2800 0.2879 0.9213 0.9248 1.1390 1.1535 1.2248 1.2353 1.9653 1.9751 2.0308 2.0327 2.8620 2.8660 2.9235 2.9338 3.8749 3.8841 3.9598 3.9932 4.0085 4.0454 7.1664 7.1671 7.7319 7.7358 8.9898 8.9942 10.1995 10.2039 k =-0.0352 0.0453 0.0573 ( 4497 PWs) bands (ev): -8.4959 -8.4958 -7.1259 -7.1259 -7.1205 -7.1201 -7.0111 -7.0109 -3.2894 -3.2874 -3.2757 -3.2720 -2.6525 -2.6496 -2.6482 -2.6323 -2.6121 -2.5988 -1.1092 -1.1019 0.2910 0.2978 0.9466 0.9507 1.1231 1.1353 1.1951 1.2052 1.9527 1.9608 2.0371 2.0388 2.8699 2.8735 2.9108 2.9189 3.9075 3.9191 3.9813 4.0054 4.0175 4.0486 7.1140 7.1146 7.7015 7.7046 8.9649 8.9684 10.2192 10.2228 k =-0.0264 0.0340 0.0430 ( 4501 PWs) bands (ev): -8.5008 -8.5007 -7.1214 -7.1214 -7.1184 -7.1180 -7.0107 -7.0106 -3.2877 -3.2863 -3.2761 -3.2735 -2.6517 -2.6492 -2.6465 -2.6346 -2.6097 -2.5998 -1.1110 -1.1054 0.3003 0.3057 0.9733 0.9781 1.1106 1.1201 1.1650 1.1746 1.9422 1.9485 2.0424 2.0437 2.8762 2.8796 2.9015 2.9072 3.9311 3.9439 4.0019 4.0156 4.0275 4.0505 7.0720 7.0724 7.6777 7.6801 8.9451 8.9477 10.2339 10.2365 k =-0.0176 0.0226 0.0287 ( 4505 PWs) bands (ev): -8.5043 -8.5042 -7.1181 -7.1181 -7.1168 -7.1166 -7.0104 -7.0103 -3.2863 -3.2854 -3.2765 -3.2748 -2.6510 -2.6492 -2.6447 -2.6367 -2.6075 -2.6010 -1.1119 -1.1082 0.3076 0.3113 1.0008 1.0060 1.1019 1.1084 1.1355 1.1441 1.9347 1.9389 2.0463 2.0472 2.8802 2.8833 2.8960 2.8991 3.9472 3.9581 4.0193 4.0249 4.0367 4.0509 7.0413 7.0416 7.6609 7.6625 8.9308 8.9325 10.2434 10.2450 k =-0.0088 0.0113 0.0143 ( 4507 PWs) bands (ev): -8.5064 -8.5064 -7.1162 -7.1162 -7.1158 -7.1157 -7.0103 -7.0102 -3.2853 -3.2849 -3.2766 -3.2758 -2.6504 -2.6495 -2.6428 -2.6389 -2.6056 -2.6023 -1.1121 -1.1102 0.3125 0.3143 1.0272 1.0320 1.0973 1.1005 1.1088 1.1158 1.9305 1.9326 2.0488 2.0493 2.8820 2.8841 2.8942 2.8951 3.9576 3.9638 4.0309 4.0322 4.0437 4.0499 7.0226 7.0227 7.6509 7.6517 8.9222 8.9231 10.2485 10.2493 k = 0.0000 0.0000 0.0000 ( 4507 PWs) bands (ev): -8.5071 -8.5071 -7.1156 -7.1156 -7.1153 -7.1153 -7.0102 -7.0102 -3.2848 -3.2848 -3.2764 -3.2764 -2.6498 -2.6498 -2.6409 -2.6409 -2.6038 -2.6038 -1.1115 -1.1115 0.3147 0.3147 1.0439 1.0439 1.0955 1.0955 1.0989 1.0989 1.9297 1.9297 2.0498 2.0498 2.8830 2.8830 2.8942 2.8942 3.9631 3.9631 4.0349 4.0349 4.0478 4.0478 7.0164 7.0164 7.6478 7.6478 8.9197 8.9197 10.2503 10.2503 k = 0.0000 0.0000 0.0000 ( 4507 PWs) bands (ev): -8.5071 -8.5071 -7.1156 -7.1156 -7.1153 -7.1153 -7.0102 -7.0102 -3.2848 -3.2848 -3.2764 -3.2764 -2.6498 -2.6498 -2.6409 -2.6409 -2.6038 -2.6038 -1.1115 -1.1115 0.3147 0.3147 1.0439 1.0439 1.0955 1.0955 1.0989 1.0989 1.9297 1.9297 2.0498 2.0498 2.8830 2.8830 2.8942 2.8942 3.9631 3.9631 4.0349 4.0349 4.0478 4.0478 7.0164 7.0164 7.6478 7.6478 8.9197 8.9197 10.2503 10.2503 k = 0.0156 0.0121 0.0000 ( 4491 PWs) bands (ev): -8.5064 -8.5064 -7.1156 -7.1156 -7.1154 -7.1154 -7.0113 -7.0113 -3.2856 -3.2856 -3.2758 -3.2758 -2.6519 -2.6519 -2.6391 -2.6391 -2.6039 -2.6039 -1.1101 -1.1101 0.3101 0.3101 1.0497 1.0497 1.0966 1.0966 1.1000 1.1000 1.9183 1.9183 2.0617 2.0617 2.8838 2.8838 2.8950 2.8950 3.9612 3.9612 4.0336 4.0336 4.0446 4.0446 7.0203 7.0203 7.6510 7.6510 8.9207 8.9207 10.2355 10.2355 k = 0.0312 0.0243 0.0000 ( 4491 PWs) bands (ev): -8.5042 -8.5042 -7.1158 -7.1158 -7.1155 -7.1155 -7.0147 -7.0147 -3.2878 -3.2878 -3.2745 -3.2745 -2.6561 -2.6561 -2.6357 -2.6357 -2.6041 -2.6041 -1.1056 -1.1056 0.2965 0.2965 1.0665 1.0665 1.0998 1.0998 1.1034 1.1034 1.8919 1.8919 2.0893 2.0893 2.8863 2.8863 2.8976 2.8976 3.9554 3.9554 4.0294 4.0294 4.0352 4.0352 7.0320 7.0320 7.6605 7.6605 8.9237 8.9237 10.1939 10.1939 k = 0.0469 0.0364 0.0000 ( 4511 PWs) bands (ev): -8.5005 -8.5005 -7.1159 -7.1159 -7.1157 -7.1157 -7.0203 -7.0203 -3.2907 -3.2907 -3.2731 -3.2731 -2.6610 -2.6610 -2.6324 -2.6324 -2.6044 -2.6044 -1.0984 -1.0984 0.2754 0.2754 1.0920 1.0920 1.1054 1.1054 1.1098 1.1098 1.8597 1.8597 2.1235 2.1235 2.8904 2.8904 2.9018 2.9018 3.9452 3.9452 4.0203 4.0203 4.0226 4.0226 7.0513 7.0513 7.6763 7.6763 8.9286 8.9286 10.1317 10.1317 k = 0.0625 0.0486 0.0000 ( 4527 PWs) bands (ev): -8.4954 -8.4954 -7.1162 -7.1162 -7.1159 -7.1159 -7.0281 -7.0281 -3.2940 -3.2940 -3.2719 -3.2719 -2.6662 -2.6662 -2.6293 -2.6293 -2.6048 -2.6048 -1.0883 -1.0883 0.2482 0.2482 1.1108 1.1108 1.1147 1.1147 1.1318 1.1318 1.8256 1.8256 2.1605 2.1605 2.8961 2.8961 2.9076 2.9076 3.9299 3.9299 4.0013 4.0013 4.0130 4.0130 7.0778 7.0778 7.6981 7.6981 8.9354 8.9354 10.0546 10.0546 k = 0.0781 0.0607 0.0000 ( 4523 PWs) bands (ev): -8.4889 -8.4889 -7.1165 -7.1165 -7.1163 -7.1163 -7.0381 -7.0381 -3.2975 -3.2975 -3.2708 -3.2708 -2.6715 -2.6715 -2.6267 -2.6267 -2.6052 -2.6052 -1.0756 -1.0756 0.2168 0.2168 1.1208 1.1208 1.1248 1.1248 1.1723 1.1723 1.7910 1.7910 2.1988 2.1988 2.9034 2.9034 2.9150 2.9150 3.9084 3.9084 3.9798 3.9798 4.0009 4.0009 7.1111 7.1111 7.7256 7.7256 8.9441 8.9441 9.9670 9.9670 k = 0.0938 0.0729 0.0000 ( 4523 PWs) bands (ev): -8.4809 -8.4809 -7.1169 -7.1169 -7.1167 -7.1167 -7.0502 -7.0502 -3.3012 -3.3012 -3.2701 -3.2701 -2.6768 -2.6768 -2.6247 -2.6247 -2.6056 -2.6056 -1.0604 -1.0604 0.1824 0.1824 1.1322 1.1322 1.1366 1.1366 1.2190 1.2190 1.7564 1.7564 2.2379 2.2379 2.9120 2.9120 2.9239 2.9239 3.8796 3.8796 3.9577 3.9577 3.9865 3.9865 7.1507 7.1507 7.7585 7.7585 8.9545 8.9545 9.8720 9.8720 k = 0.1094 0.0850 0.0000 ( 4535 PWs) bands (ev): -8.4715 -8.4715 -7.1174 -7.1174 -7.1171 -7.1171 -7.0643 -7.0643 -3.3051 -3.3051 -3.2696 -3.2696 -2.6822 -2.6822 -2.6234 -2.6234 -2.6059 -2.6059 -1.0429 -1.0429 0.1465 0.1465 1.1455 1.1455 1.1502 1.1502 1.2695 1.2695 1.7222 1.7222 2.2774 2.2774 2.9220 2.9220 2.9340 2.9340 3.8437 3.8437 3.9356 3.9356 3.9698 3.9698 7.1959 7.1959 7.7963 7.7963 8.9665 8.9665 9.7717 9.7717 k = 0.1250 0.0972 0.0000 ( 4523 PWs) bands (ev): -8.4607 -8.4607 -7.1179 -7.1179 -7.1177 -7.1177 -7.0804 -7.0804 -3.3091 -3.3091 -3.2695 -3.2695 -2.6875 -2.6875 -2.6227 -2.6227 -2.6060 -2.6060 -1.0233 -1.0233 0.1098 0.1098 1.1606 1.1606 1.1657 1.1657 1.3229 1.3229 1.6887 1.6887 2.3170 2.3170 2.9331 2.9331 2.9454 2.9454 3.8018 3.8018 3.9135 3.9135 3.9511 3.9511 7.2463 7.2463 7.8385 7.8385 8.9799 8.9799 9.6675 9.6675 k = 0.1406 0.1093 0.0000 ( 4511 PWs) bands (ev): -8.4485 -8.4485 -7.1185 -7.1185 -7.1183 -7.1183 -7.0985 -7.0985 -3.3131 -3.3131 -3.2696 -3.2696 -2.6927 -2.6927 -2.6226 -2.6226 -2.6060 -2.6060 -1.0018 -1.0018 0.0732 0.0732 1.1775 1.1775 1.1830 1.1830 1.3780 1.3780 1.6560 1.6560 2.3567 2.3567 2.9452 2.9452 2.9578 2.9578 3.7550 3.7550 3.8910 3.8910 3.9306 3.9306 7.3011 7.3011 7.8845 7.8845 8.9944 8.9944 9.5608 9.5608 k = 0.1562 0.1214 0.0000 ( 4487 PWs) bands (ev): -8.4349 -8.4349 -7.1207 -7.1207 -7.1190 -7.1190 -7.1167 -7.1167 -3.3171 -3.3171 -3.2700 -3.2700 -2.6977 -2.6977 -2.6231 -2.6231 -2.6060 -2.6060 -0.9789 -0.9789 0.0374 0.0374 1.1961 1.1961 1.2020 1.2020 1.4339 1.4339 1.6247 1.6247 2.3963 2.3963 2.9581 2.9581 2.9709 2.9709 3.7048 3.7048 3.8679 3.8679 3.9087 3.9087 7.3600 7.3600 7.9335 7.9335 9.0099 9.0099 9.4527 9.4527 k = 0.1719 0.1336 0.0000 ( 4479 PWs) bands (ev): -8.4199 -8.4199 -7.1405 -7.1405 -7.1197 -7.1197 -7.1193 -7.1193 -3.3212 -3.3212 -3.2706 -3.2706 -2.7026 -2.7026 -2.6241 -2.6241 -2.6060 -2.6060 -0.9548 -0.9548 0.0029 0.0029 1.2164 1.2164 1.2226 1.2226 1.4888 1.4888 1.5958 1.5958 2.4356 2.4356 2.9715 2.9715 2.9846 2.9846 3.6520 3.6520 3.8441 3.8441 3.8856 3.8856 7.4222 7.4222 7.9849 7.9849 9.0258 9.0258 9.3439 9.3439 k = 0.1875 0.1457 0.0000 ( 4471 PWs) bands (ev): -8.4036 -8.4036 -7.1638 -7.1638 -7.1204 -7.1204 -7.1201 -7.1201 -3.3252 -3.3252 -3.2715 -3.2715 -2.7073 -2.7073 -2.6254 -2.6254 -2.6061 -2.6061 -0.9299 -0.9299 -0.0298 -0.0298 1.2381 1.2381 1.2448 1.2448 1.5313 1.5313 1.5804 1.5804 2.4746 2.4746 2.9852 2.9852 2.9986 2.9986 3.5976 3.5976 3.8200 3.8200 3.8616 3.8616 7.4871 7.4871 8.0377 8.0377 9.0418 9.0418 9.2353 9.2353 k = 0.2031 0.1579 0.0000 ( 4475 PWs) bands (ev): -8.3861 -8.3861 -7.1888 -7.1888 -7.1211 -7.1211 -7.1208 -7.1208 -3.3291 -3.3291 -3.2726 -3.2726 -2.7118 -2.7118 -2.6269 -2.6269 -2.6065 -2.6065 -0.9047 -0.9047 -0.0604 -0.0604 1.2612 1.2612 1.2683 1.2683 1.5230 1.5230 1.6164 1.6164 2.5130 2.5130 2.9988 2.9988 3.0124 3.0124 3.5423 3.5423 3.7957 3.7957 3.8373 3.8373 7.5541 7.5541 8.0913 8.0913 9.0568 9.0568 9.1279 9.1279 k = 0.2188 0.1700 0.0000 ( 4475 PWs) bands (ev): -8.3672 -8.3672 -7.2152 -7.2152 -7.1219 -7.1219 -7.1216 -7.1216 -3.3328 -3.3328 -3.2739 -3.2739 -2.7160 -2.7160 -2.6285 -2.6285 -2.6070 -2.6070 -0.8795 -0.8795 -0.0883 -0.0883 1.2855 1.2855 1.2930 1.2930 1.4978 1.4978 1.6695 1.6695 2.5509 2.5509 3.0119 3.0119 3.0258 3.0258 3.4868 3.4868 3.7717 3.7717 3.8130 3.8130 7.6224 7.6224 8.1447 8.1447 9.0195 9.0195 9.0370 9.0370 k = 0.2344 0.1822 0.0000 ( 4475 PWs) bands (ev): -8.3470 -8.3470 -7.2431 -7.2431 -7.1226 -7.1226 -7.1223 -7.1223 -3.3365 -3.3365 -3.2754 -3.2754 -2.7200 -2.7200 -2.6303 -2.6303 -2.6077 -2.6077 -0.8548 -0.8548 -0.1133 -0.1133 1.3108 1.3108 1.3189 1.3189 1.4716 1.4716 1.7233 1.7233 2.5880 2.5880 3.0242 3.0242 3.0383 3.0383 3.4319 3.4319 3.7484 3.7484 3.7892 3.7892 7.6911 7.6911 8.1972 8.1972 8.9158 8.9158 8.9335 8.9335 k = 0.2500 0.1943 0.0000 ( 4475 PWs) bands (ev): -8.3257 -8.3257 -7.2722 -7.2722 -7.1234 -7.1234 -7.1231 -7.1231 -3.3400 -3.3400 -3.2770 -3.2770 -2.7237 -2.7237 -2.6321 -2.6321 -2.6086 -2.6086 -0.8313 -0.8313 -0.1349 -0.1349 1.3368 1.3368 1.3456 1.3456 1.4463 1.4463 1.7759 1.7759 2.6243 2.6243 3.0351 3.0351 3.0494 3.0494 3.3782 3.3782 3.7263 3.7263 3.7665 3.7665 7.7590 7.7590 8.2483 8.2483 8.8142 8.8142 8.8322 8.8322 k = 0.2656 0.2064 0.0000 ( 4471 PWs) bands (ev): -8.3031 -8.3031 -7.3024 -7.3024 -7.1242 -7.1242 -7.1239 -7.1239 -3.3433 -3.3433 -3.2787 -3.2787 -2.7272 -2.7272 -2.6339 -2.6339 -2.6098 -2.6098 -0.8093 -0.8093 -0.1527 -0.1527 1.3626 1.3626 1.3730 1.3730 1.4229 1.4229 1.8265 1.8265 2.6595 2.6595 3.0441 3.0441 3.0587 3.0587 3.3264 3.3264 3.7060 3.7060 3.7455 3.7455 7.8247 7.8247 8.2974 8.2974 8.7155 8.7155 8.7338 8.7338 k = 0.2812 0.2186 0.0000 ( 4471 PWs) bands (ev): -8.2795 -8.2795 -7.3337 -7.3337 -7.1249 -7.1249 -7.1246 -7.1246 -3.3464 -3.3464 -3.2804 -3.2804 -2.7304 -2.7304 -2.6356 -2.6356 -2.6111 -2.6111 -0.7894 -0.7894 -0.1666 -0.1666 1.3811 1.3811 1.4006 1.4006 1.4088 1.4088 1.8744 1.8744 2.6936 2.6936 3.0508 3.0508 3.0655 3.0655 3.2769 3.2769 3.6879 3.6879 3.7265 3.7265 7.8864 7.8864 8.3446 8.3446 8.6207 8.6207 8.6390 8.6390 k = 0.2969 0.2307 0.0000 ( 4499 PWs) bands (ev): -8.2547 -8.2547 -7.3660 -7.3660 -7.1257 -7.1257 -7.1254 -7.1254 -3.3493 -3.3493 -3.2823 -3.2823 -2.7334 -2.7334 -2.6373 -2.6373 -2.6126 -2.6126 -0.7721 -0.7721 -0.1762 -0.1762 1.3694 1.3694 1.4250 1.4250 1.4298 1.4299 1.9191 1.9191 2.7263 2.7263 3.0547 3.0547 3.0696 3.0696 3.2305 3.2305 3.6725 3.6725 3.7103 3.7103 7.9421 7.9421 8.3895 8.3895 8.5309 8.5309 8.5482 8.5482 k = 0.3125 0.2429 0.0000 ( 4511 PWs) bands (ev): -8.2289 -8.2289 -7.3990 -7.3990 -7.1264 -7.1264 -7.1261 -7.1261 -3.3520 -3.3520 -3.2841 -3.2841 -2.7361 -2.7361 -2.6389 -2.6389 -2.6142 -2.6142 -0.7576 -0.7576 -0.1817 -0.1817 1.3496 1.3496 1.4518 1.4518 1.4580 1.4580 1.9601 1.9601 2.7576 2.7576 3.0555 3.0556 3.0706 3.0706 3.1877 3.1877 3.6603 3.6603 3.6970 3.6970 7.9896 7.9896 8.4186 8.4186 8.4579 8.4579 8.4650 8.4650 k = 0.3281 0.2550 0.0000 ( 4511 PWs) bands (ev): -8.2021 -8.2021 -7.4327 -7.4327 -7.1271 -7.1271 -7.1268 -7.1268 -3.3544 -3.3544 -3.2860 -3.2860 -2.7385 -2.7385 -2.6404 -2.6404 -2.6159 -2.6159 -0.7460 -0.7460 -0.1830 -0.1830 1.3301 1.3301 1.4794 1.4794 1.4860 1.4860 1.9972 1.9972 2.7872 2.7872 3.0531 3.0531 3.0684 3.0684 3.1491 3.1491 3.6513 3.6513 3.6869 3.6869 8.0271 8.0271 8.3555 8.3555 8.3797 8.3797 8.4895 8.4895 k = 0.3438 0.2672 0.0000 ( 4519 PWs) bands (ev): -8.1743 -8.1743 -7.4669 -7.4669 -7.1277 -7.1277 -7.1275 -7.1275 -3.3566 -3.3566 -3.2877 -3.2877 -2.7407 -2.7407 -2.6417 -2.6417 -2.6176 -2.6176 -0.7374 -0.7374 -0.1807 -0.1807 1.3116 1.3116 1.5067 1.5067 1.5135 1.5135 2.0299 2.0299 2.8149 2.8149 3.0474 3.0474 3.0631 3.0631 3.1152 3.1152 3.6455 3.6455 3.6800 3.6800 8.0537 8.0537 8.2805 8.2805 8.3035 8.3035 8.5352 8.5352 k = 0.3594 0.2793 0.0000 ( 4499 PWs) bands (ev): -8.1458 -8.1458 -7.5016 -7.5016 -7.1283 -7.1283 -7.1281 -7.1281 -3.3586 -3.3586 -3.2894 -3.2894 -2.7427 -2.7427 -2.6429 -2.6429 -2.6194 -2.6194 -0.7314 -0.7314 -0.1752 -0.1752 1.2945 1.2945 1.5334 1.5334 1.5401 1.5401 2.0580 2.0580 2.8407 2.8407 3.0386 3.0386 3.0549 3.0549 3.0865 3.0865 3.6426 3.6426 3.6761 3.6761 8.0698 8.0698 8.2103 8.2103 8.2330 8.2330 8.5817 8.5817 k = 0.3750 0.2915 0.0000 ( 4499 PWs) bands (ev): -8.1165 -8.1165 -7.5365 -7.5365 -7.1289 -7.1289 -7.1286 -7.1286 -3.3603 -3.3603 -3.2910 -3.2910 -2.7444 -2.7444 -2.6440 -2.6440 -2.6211 -2.6211 -0.7276 -0.7276 -0.1674 -0.1674 1.2788 1.2788 1.5589 1.5589 1.5654 1.5654 2.0816 2.0816 2.8643 2.8643 3.0272 3.0272 3.0443 3.0443 3.0633 3.0633 3.6423 3.6423 3.6748 3.6748 8.0769 8.0769 8.1461 8.1461 8.1685 8.1685 8.6263 8.6263 k = 0.3906 0.3036 0.0000 ( 4499 PWs) bands (ev): -8.0866 -8.0866 -7.5714 -7.5714 -7.1294 -7.1294 -7.1292 -7.1292 -3.3619 -3.3619 -3.2925 -3.2925 -2.7458 -2.7458 -2.6448 -2.6448 -2.6228 -2.6228 -0.7257 -0.7257 -0.1580 -0.1580 1.2647 1.2647 1.5829 1.5829 1.5890 1.5890 2.1006 2.1006 2.8856 2.8856 3.0141 3.0141 3.0322 3.0322 3.0450 3.0450 3.6440 3.6440 3.6755 3.6755 8.0749 8.0749 8.0905 8.0905 8.1107 8.1107 8.6662 8.6662 k = 0.4062 0.3157 0.0000 ( 4500 PWs) bands (ev): -8.0562 -8.0562 -7.6062 -7.6062 -7.1299 -7.1299 -7.1296 -7.1296 -3.3632 -3.3632 -3.2939 -3.2939 -2.7471 -2.7471 -2.6455 -2.6455 -2.6244 -2.6244 -0.7251 -0.7251 -0.1479 -0.1479 1.2521 1.2521 1.6049 1.6049 1.6106 1.6106 2.1154 2.1154 2.9043 2.9043 3.0011 3.0011 3.0197 3.0197 3.0301 3.0301 3.6469 3.6469 3.6777 3.6777 8.0355 8.0355 8.0592 8.0592 8.0753 8.0753 8.6988 8.6988 k = 0.4219 0.3279 0.0000 ( 4492 PWs) bands (ev): -8.0257 -8.0257 -7.6406 -7.6406 -7.1302 -7.1302 -7.1300 -7.1300 -3.3643 -3.3643 -3.2950 -3.2950 -2.7481 -2.7481 -2.6461 -2.6461 -2.6259 -2.6259 -0.7254 -0.7254 -0.1378 -0.1378 1.2414 1.2414 1.6245 1.6245 1.6298 1.6298 2.1266 2.1266 2.9205 2.9205 2.9895 2.9895 3.0077 3.0077 3.0176 3.0176 3.6506 3.6506 3.6807 3.6807 7.9921 7.9921 8.0156 8.0156 8.0680 8.0680 8.7231 8.7231 k = 0.4375 0.3400 0.0000 ( 4496 PWs) bands (ev): -7.9955 -7.9955 -7.6740 -7.6740 -7.1306 -7.1306 -7.1303 -7.1303 -3.3652 -3.3652 -3.2960 -3.2960 -2.7490 -2.7490 -2.6465 -2.6465 -2.6272 -2.6272 -0.7261 -0.7261 -0.1285 -0.1285 1.2324 1.2324 1.6414 1.6414 1.6460 1.6460 2.1345 2.1345 2.9338 2.9338 2.9799 2.9799 2.9969 2.9969 3.0072 3.0072 3.6545 3.6545 3.6839 3.6839 7.9559 7.9559 7.9793 7.9793 8.0603 8.0603 8.7394 8.7394 k = 0.4531 0.3522 0.0000 ( 4496 PWs) bands (ev): -7.9664 -7.9664 -7.7056 -7.7056 -7.1308 -7.1308 -7.1306 -7.1306 -3.3659 -3.3659 -3.2968 -3.2968 -2.7496 -2.7496 -2.6468 -2.6468 -2.6282 -2.6282 -0.7271 -0.7271 -0.1206 -0.1206 1.2253 1.2253 1.6550 1.6550 1.6590 1.6590 2.1399 2.1399 2.9443 2.9443 2.9723 2.9723 2.9876 2.9876 2.9992 2.9992 3.6580 3.6580 3.6870 3.6870 7.9274 7.9274 7.9508 7.9508 8.0531 8.0531 8.7491 8.7491 k = 0.4688 0.3643 0.0000 ( 4488 PWs) bands (ev): -7.9400 -7.9400 -7.7338 -7.7338 -7.1310 -7.1310 -7.1308 -7.1308 -3.3664 -3.3664 -3.2974 -3.2974 -2.7501 -2.7501 -2.6470 -2.6470 -2.6290 -2.6290 -0.7279 -0.7279 -0.1146 -0.1146 1.2202 1.2202 1.6651 1.6651 1.6685 1.6685 2.1433 2.1433 2.9518 2.9518 2.9668 2.9668 2.9807 2.9807 2.9938 2.9938 3.6608 3.6608 3.6895 3.6895 7.9068 7.9068 7.9303 7.9303 8.0474 8.0474 8.7543 8.7543 k = 0.4844 0.3765 0.0000 ( 4496 PWs) bands (ev): -7.9198 -7.9198 -7.7551 -7.7551 -7.1311 -7.1311 -7.1309 -7.1309 -3.3667 -3.3667 -3.2977 -3.2977 -2.7504 -2.7504 -2.6471 -2.6471 -2.6295 -2.6295 -0.7285 -0.7285 -0.1108 -0.1108 1.2171 1.2171 1.6714 1.6714 1.6743 1.6743 2.1452 2.1452 2.9562 2.9562 2.9633 2.9633 2.9764 2.9764 2.9906 2.9906 3.6626 3.6626 3.6911 3.6911 7.8945 7.8945 7.9179 7.9179 8.0436 8.0436 8.7567 8.7567 k = 0.5000 0.3886 0.0000 ( 4488 PWs) bands (ev): -7.9118 -7.9118 -7.7635 -7.7635 -7.1312 -7.1312 -7.1309 -7.1309 -3.3667 -3.3667 -3.2978 -3.2978 -2.7504 -2.7504 -2.6471 -2.6471 -2.6297 -2.6297 -0.7287 -0.7287 -0.1096 -0.1096 1.2161 1.2161 1.6735 1.6735 1.6762 1.6762 2.1457 2.1457 2.9577 2.9577 2.9620 2.9620 2.9750 2.9750 2.9896 2.9896 3.6632 3.6632 3.6917 3.6917 7.8903 7.8903 7.9137 7.9137 8.0424 8.0424 8.7573 8.7573 k = 0.5000 0.3886 0.0000 ( 4488 PWs) bands (ev): -7.9118 -7.9118 -7.7635 -7.7635 -7.1312 -7.1312 -7.1309 -7.1309 -3.3667 -3.3667 -3.2978 -3.2978 -2.7504 -2.7504 -2.6471 -2.6471 -2.6297 -2.6297 -0.7287 -0.7287 -0.1096 -0.1096 1.2161 1.2161 1.6735 1.6735 1.6762 1.6762 2.1457 2.1457 2.9577 2.9577 2.9620 2.9620 2.9750 2.9750 2.9896 2.9896 3.6632 3.6632 3.6917 3.6917 7.8903 7.8903 7.9137 7.9137 8.0424 8.0424 8.7573 8.7573 k = 0.4913 0.3998 0.0142 ( 4500 PWs) bands (ev): -7.9114 -7.9114 -7.7633 -7.7632 -7.1320 -7.1318 -7.1310 -7.1309 -3.3680 -3.3653 -3.3002 -3.2958 -2.7536 -2.7472 -2.6492 -2.6456 -2.6328 -2.6265 -0.7278 -0.7253 -0.1097 -0.1090 1.2100 1.2121 1.6731 1.6738 1.6770 1.6800 2.1446 2.1458 2.9146 2.9299 2.9497 2.9580 2.9772 2.9798 3.0200 3.0364 3.6622 3.6643 3.6915 3.6922 7.8898 7.8930 7.9147 7.9152 8.0457 8.0458 8.7605 8.7641 k = 0.4826 0.4111 0.0284 ( 4498 PWs) bands (ev): -7.9103 -7.9103 -7.7626 -7.7624 -7.1344 -7.1341 -7.1307 -7.1305 -3.3690 -3.3637 -3.3028 -3.2940 -2.7567 -2.7439 -2.6517 -2.6451 -2.6351 -2.6234 -0.7227 -0.7178 -0.1093 -0.1080 1.1946 1.1984 1.6703 1.6715 1.6847 1.6907 2.1425 2.1447 2.8629 2.8783 2.9378 2.9458 2.9870 2.9903 3.0685 3.0856 3.6599 3.6637 3.6933 3.6943 7.8907 7.8979 7.9185 7.9203 8.0558 8.0560 8.7736 8.7808 k = 0.4738 0.4223 0.0427 ( 4502 PWs) bands (ev): -7.9085 -7.9085 -7.7614 -7.7611 -7.1385 -7.1380 -7.1302 -7.1300 -3.3699 -3.3620 -3.3058 -3.2926 -2.7596 -2.7405 -2.6547 -2.6463 -2.6357 -2.6207 -0.7137 -0.7062 -0.1085 -0.1065 1.1710 1.1763 1.6653 1.6670 1.6975 1.7062 2.1394 2.1429 2.8101 2.8250 2.9255 2.9339 2.9965 2.9996 3.1166 3.1340 3.6539 3.6585 3.7000 3.7004 7.8921 7.9034 7.9268 7.9303 8.0723 8.0724 8.7965 8.8068 k = 0.4651 0.4335 0.0569 ( 4498 PWs) bands (ev): -7.9060 -7.9060 -7.7597 -7.7593 -7.1440 -7.1434 -7.1296 -7.1292 -3.3705 -3.3602 -3.3090 -3.2914 -2.7624 -2.7370 -2.6581 -2.6488 -2.6349 -2.6183 -0.7008 -0.6909 -0.1071 -0.1044 1.1411 1.1474 1.6584 1.6606 1.7136 1.7245 2.1358 2.1404 2.7569 2.7711 2.9132 2.9222 3.0047 3.0075 3.1636 3.1811 3.6433 3.6482 3.7111 3.7122 7.8942 7.9087 7.9411 7.9458 8.0947 8.0949 8.8286 8.8417 k = 0.4564 0.4447 0.0711 ( 4494 PWs) bands (ev): -7.9028 -7.9028 -7.7576 -7.7570 -7.1510 -7.1503 -7.1287 -7.1283 -3.3708 -3.3582 -3.3125 -3.2904 -2.7651 -2.7335 -2.6620 -2.6515 -2.6334 -2.6163 -0.6844 -0.6721 -0.1050 -0.1015 1.1064 1.1134 1.6496 1.6524 1.7311 1.7441 2.1319 2.1378 2.7035 2.7170 2.9012 2.9110 3.0112 3.0137 3.2095 3.2271 3.6286 3.6339 3.7260 3.7284 7.8978 7.9144 7.9614 7.9666 8.1225 8.1230 8.8693 8.8849 k = 0.4477 0.4560 0.0853 ( 4496 PWs) bands (ev): -7.8991 -7.8991 -7.7549 -7.7542 -7.1594 -7.1585 -7.1276 -7.1271 -3.3710 -3.3563 -3.3163 -3.2896 -2.7677 -2.7301 -2.6663 -2.6540 -2.6317 -2.6147 -0.6650 -0.6503 -0.1020 -0.0976 1.0681 1.0757 1.6390 1.6422 1.7484 1.7634 2.1283 2.1355 2.6503 2.6631 2.8897 2.9003 3.0154 3.0179 3.2542 3.2720 3.6105 3.6162 3.7442 3.7478 7.9034 7.9216 7.9871 7.9925 8.1554 8.1563 8.9179 8.9354 k = 0.4389 0.4672 0.0995 ( 4502 PWs) bands (ev): -7.8949 -7.8948 -7.7518 -7.7510 -7.1689 -7.1680 -7.1263 -7.1258 -3.3709 -3.3543 -3.3202 -3.2889 -2.7701 -2.7267 -2.6707 -2.6562 -2.6300 -2.6134 -0.6433 -0.6262 -0.0978 -0.0925 1.0274 1.0353 1.6267 1.6303 1.7641 1.7811 2.1253 2.1341 2.5977 2.6098 2.8790 2.8905 3.0172 3.0198 3.2978 3.3157 3.5895 3.5958 3.7651 3.7698 7.9118 7.9311 8.0179 8.0233 8.1930 8.1943 8.9736 8.9927 k = 0.4302 0.4784 0.1137 ( 4500 PWs) bands (ev): -7.8902 -7.8902 -7.7482 -7.7473 -7.1795 -7.1785 -7.1249 -7.1243 -3.3705 -3.3522 -3.3243 -3.2883 -2.7724 -2.7235 -2.6749 -2.6582 -2.6282 -2.6124 -0.6198 -0.6004 -0.0920 -0.0856 0.9851 0.9933 1.6127 1.6168 1.7773 1.7961 2.1234 2.1340 2.5461 2.5576 2.8693 2.8817 3.0163 3.0191 3.3400 3.3582 3.5661 3.5732 3.7880 3.7938 7.9233 7.9434 8.0535 8.0590 8.2348 8.2366 9.0356 9.0556 k = 0.4215 0.4896 0.1280 ( 4496 PWs) bands (ev): -7.8853 -7.8853 -7.7441 -7.7431 -7.1911 -7.1899 -7.1232 -7.1226 -3.3699 -3.3502 -3.3286 -3.2878 -2.7745 -2.7206 -2.6788 -2.6600 -2.6265 -2.6118 -0.5955 -0.5739 -0.0840 -0.0765 0.9418 0.9502 1.5972 1.6016 1.7869 1.8075 2.1231 2.1356 2.4960 2.5070 2.8609 2.8740 3.0126 3.0156 3.3803 3.3990 3.5413 3.5495 3.8125 3.8191 7.9383 7.9588 8.0938 8.0992 8.2804 8.2826 9.1027 9.1233 k = 0.4128 0.5009 0.1422 ( 4506 PWs) bands (ev): -7.8803 -7.8803 -7.7395 -7.7385 -7.2034 -7.2021 -7.1214 -7.1207 -3.3691 -3.3483 -3.3328 -3.2873 -2.7764 -2.7182 -2.6819 -2.6615 -2.6248 -2.6114 -0.5715 -0.5478 -0.0732 -0.0646 0.8982 0.9068 1.5802 1.5849 1.7925 1.8147 2.1244 2.1389 2.4479 2.4587 2.8538 2.8676 3.0063 3.0094 3.4165 3.4358 3.5175 3.5269 3.8378 3.8453 7.9570 7.9777 8.1386 8.1438 8.3294 8.3320 9.1737 9.1942 k = 0.4040 0.5121 0.1564 ( 4506 PWs) bands (ev): -7.8754 -7.8753 -7.7343 -7.7333 -7.2161 -7.2149 -7.1194 -7.1186 -3.3681 -3.3465 -3.3370 -3.2868 -2.7782 -2.7165 -2.6840 -2.6627 -2.6230 -2.6112 -0.5487 -0.5233 -0.0587 -0.0492 0.8547 0.8636 1.5620 1.5668 1.7937 1.8172 2.1268 2.1434 2.4027 2.4137 2.8483 2.8624 2.9974 3.0006 3.4399 3.4545 3.5088 3.5147 3.8637 3.8717 7.9794 8.0002 8.1874 8.1925 8.3813 8.3843 9.2465 9.2662 k = 0.3953 0.5233 0.1706 ( 4512 PWs) bands (ev): -7.8708 -7.8708 -7.7286 -7.7275 -7.2292 -7.2279 -7.1173 -7.1164 -3.3669 -3.3451 -3.3408 -3.2862 -2.7797 -2.7157 -2.6850 -2.6636 -2.6214 -2.6112 -0.5285 -0.5016 -0.0399 -0.0295 0.8119 0.8210 1.5425 1.5474 1.7907 1.8152 2.1293 2.1480 2.3614 2.3734 2.8442 2.8584 2.9864 2.9899 3.4336 3.4373 3.5283 3.5347 3.8895 3.8980 8.0057 8.0263 8.2401 8.2449 8.4357 8.4389 9.3182 9.3362 k = 0.3866 0.5345 0.1848 ( 4506 PWs) bands (ev): -7.8669 -7.8668 -7.7222 -7.7210 -7.2422 -7.2409 -7.1150 -7.1140 -3.3655 -3.3465 -3.3417 -3.2856 -2.7811 -2.7157 -2.6848 -2.6640 -2.6197 -2.6113 -0.5118 -0.4840 -0.0159 -0.0049 0.7702 0.7795 1.5220 1.5268 1.7840 1.8089 2.1297 2.1507 2.3258 2.3396 2.8414 2.8554 2.9735 2.9782 3.4069 3.4095 3.5591 3.5693 3.9148 3.9237 8.0357 8.0561 8.2961 8.3006 8.4920 8.4954 9.3842 9.3999 k = 0.3779 0.5458 0.1990 ( 4504 PWs) bands (ev): -7.8639 -7.8638 -7.7150 -7.7138 -7.2550 -7.2537 -7.1125 -7.1115 -3.3641 -3.3499 -3.3403 -3.2848 -2.7821 -2.7163 -2.6837 -2.6640 -2.6181 -2.6116 -0.4994 -0.4712 0.0134 0.0247 0.7300 0.7397 1.5004 1.5050 1.7740 1.7992 2.1254 2.1485 2.2986 2.3145 2.8392 2.8529 2.9596 2.9669 3.3742 3.3789 3.5929 3.6045 3.9393 3.9483 8.0695 8.0895 8.3550 8.3592 8.5498 8.5533 9.4399 9.4536 k = 0.3691 0.5570 0.2133 ( 4496 PWs) bands (ev): -7.8622 -7.8621 -7.7069 -7.7057 -7.2673 -7.2660 -7.1099 -7.1089 -3.3628 -3.3532 -3.3385 -3.2839 -2.7829 -2.7172 -2.6822 -2.6634 -2.6166 -2.6120 -0.4918 -0.4638 0.0478 0.0593 0.6920 0.7020 1.4778 1.4821 1.7614 1.7867 2.1143 2.1384 2.2820 2.2997 2.8364 2.8505 2.9460 2.9577 3.3399 3.3460 3.6263 3.6386 3.9625 3.9717 8.1068 8.1263 8.4162 8.4201 8.6084 8.6119 9.4838 9.4969 k = 0.3604 0.5682 0.2275 ( 4500 PWs) bands (ev): -7.8622 -7.8620 -7.6978 -7.6966 -7.2788 -7.2775 -7.1072 -7.1061 -3.3624 -3.3554 -3.3367 -3.2829 -2.7835 -2.7182 -2.6806 -2.6620 -2.6153 -2.6124 -0.4891 -0.4617 0.0866 0.0981 0.6568 0.6671 1.4541 1.4581 1.7471 1.7722 2.0965 2.1205 2.2759 2.2939 2.8312 2.8476 2.9349 2.9524 3.3046 3.3120 3.6581 3.6707 3.9842 3.9934 8.1474 8.1665 8.4791 8.4827 8.6673 8.6708 9.5186 9.5317 k = 0.3517 0.5794 0.2417 ( 4488 PWs) bands (ev): -7.8641 -7.8638 -7.6876 -7.6865 -7.2892 -7.2880 -7.1044 -7.1032 -3.3637 -3.3555 -3.3347 -3.2818 -2.7837 -2.7190 -2.6792 -2.6599 -2.6145 -2.6123 -0.4910 -0.4646 0.1284 0.1399 0.6254 0.6361 1.4295 1.4330 1.7315 1.7565 2.0746 2.0977 2.2764 2.2940 2.8227 2.8427 2.9288 2.9522 3.2688 3.2773 3.6877 3.7004 4.0042 4.0132 8.1912 8.2097 8.5430 8.5465 8.7260 8.7293 9.5470 9.5604 k = 0.3430 0.5907 0.2559 ( 4490 PWs) bands (ev): -7.8681 -7.8678 -7.6763 -7.6753 -7.2983 -7.2972 -7.1014 -7.1002 -3.3661 -3.3543 -3.3325 -3.2807 -2.7836 -2.7195 -2.6780 -2.6571 -2.6148 -2.6114 -0.4973 -0.4720 0.1711 0.1826 0.5994 0.6102 1.4038 1.4068 1.7155 1.7403 2.0509 2.0731 2.2796 2.2966 2.8116 2.8348 2.9297 2.9573 3.2326 3.2422 3.7147 3.7273 4.0221 4.0309 8.2377 8.2556 8.6072 8.6107 8.7837 8.7868 9.5710 9.5845 k = 0.3342 0.6019 0.2701 ( 4494 PWs) bands (ev): -7.8744 -7.8741 -7.6639 -7.6629 -7.3059 -7.3049 -7.0984 -7.0971 -3.3685 -3.3527 -3.3301 -3.2796 -2.7832 -2.7198 -2.6769 -2.6539 -2.6155 -2.6102 -0.5075 -0.4835 0.2117 0.2233 0.5811 0.5919 1.3770 1.3795 1.6996 1.7243 2.0272 2.0489 2.2828 2.2991 2.7996 2.8248 2.9372 2.9673 3.1964 3.2071 3.7385 3.7510 4.0378 4.0464 8.2867 8.3039 8.6711 8.6746 8.8399 8.8427 9.5914 9.6049 k = 0.3255 0.6131 0.2844 ( 4494 PWs) bands (ev): -7.8831 -7.8828 -7.6505 -7.6495 -7.3119 -7.3110 -7.0952 -7.0940 -3.3707 -3.3509 -3.3275 -3.2784 -2.7825 -2.7196 -2.6759 -2.6503 -2.6164 -2.6090 -0.5210 -0.4984 0.2465 0.2576 0.5743 0.5843 1.3493 1.3512 1.6844 1.7090 2.0047 2.0259 2.2841 2.2996 2.7883 2.8148 2.9501 2.9813 3.1605 3.1723 3.7588 3.7710 4.0513 4.0595 8.3377 8.3542 8.7339 8.7375 8.8940 8.8964 9.6087 9.6219 k = 0.3255 0.6131 0.2844 ( 4494 PWs) bands (ev): -7.8831 -7.8828 -7.6505 -7.6495 -7.3119 -7.3110 -7.0952 -7.0940 -3.3707 -3.3509 -3.3275 -3.2784 -2.7825 -2.7196 -2.6759 -2.6503 -2.6164 -2.6090 -0.5210 -0.4984 0.2465 0.2576 0.5743 0.5843 1.3493 1.3512 1.6844 1.7090 2.0047 2.0259 2.2841 2.2996 2.7883 2.8148 2.9501 2.9813 3.1605 3.1723 3.7588 3.7710 4.0513 4.0595 8.3377 8.3542 8.7339 8.7375 8.8940 8.8964 9.6087 9.6219 k = 0.3074 0.6077 0.2912 ( 4489 PWs) bands (ev): -7.8896 -7.8893 -7.6425 -7.6415 -7.3135 -7.3127 -7.0938 -7.0925 -3.3715 -3.3501 -3.3260 -3.2778 -2.7819 -2.7195 -2.6753 -2.6484 -2.6169 -2.6084 -0.5300 -0.5082 0.2606 0.2715 0.5774 0.5868 1.3332 1.3352 1.6766 1.7011 1.9964 2.0172 2.2843 2.2993 2.7809 2.8077 2.9565 2.9880 3.1470 3.1596 3.7664 3.7783 4.0570 4.0650 8.3650 8.3811 8.7594 8.7633 8.9241 8.9268 9.6115 9.6243 k = 0.2893 0.6023 0.2980 ( 4491 PWs) bands (ev): -7.8988 -7.8985 -7.6329 -7.6319 -7.3134 -7.3126 -7.0926 -7.0913 -3.3721 -3.3496 -3.3240 -3.2771 -2.7811 -2.7193 -2.6745 -2.6464 -2.6173 -2.6077 -0.5426 -0.5217 0.2746 0.2851 0.5860 0.5946 1.3126 1.3151 1.6673 1.6913 1.9923 2.0123 2.2848 2.2990 2.7692 2.7960 2.9617 2.9935 3.1406 3.1545 3.7714 3.7827 4.0619 4.0696 8.3968 8.4124 8.7779 8.7823 8.9623 8.9657 9.6070 9.6191 k = 0.2713 0.5969 0.3049 ( 4493 PWs) bands (ev): -7.9097 -7.9094 -7.6229 -7.6219 -7.3115 -7.3107 -7.0917 -7.0904 -3.3725 -3.3492 -3.3217 -3.2763 -2.7800 -2.7192 -2.6735 -2.6442 -2.6175 -2.6070 -0.5582 -0.5385 0.2894 0.2994 0.5988 0.6065 1.2884 1.2915 1.6559 1.6791 1.9923 2.0109 2.2857 2.2987 2.7544 2.7806 2.9664 2.9985 3.1404 3.1555 3.7739 3.7845 4.0657 4.0729 8.4326 8.4476 8.7930 8.7976 9.0055 9.0095 9.5988 9.6103 k = 0.2532 0.5915 0.3117 ( 4491 PWs) bands (ev): -7.9214 -7.9211 -7.6133 -7.6124 -7.3075 -7.3068 -7.0911 -7.0899 -3.3726 -3.3491 -3.3190 -3.2755 -2.7786 -2.7193 -2.6721 -2.6420 -2.6177 -2.6064 -0.5765 -0.5580 0.3055 0.3150 0.6147 0.6215 1.2615 1.2651 1.6417 1.6639 1.9958 2.0128 2.2869 2.2986 2.7377 2.7631 2.9712 3.0034 3.1450 3.1613 3.7739 3.7836 4.0681 4.0747 8.4715 8.4857 8.8076 8.8125 9.0507 9.0553 9.5903 9.6014 k = 0.2351 0.5861 0.3185 ( 4491 PWs) bands (ev): -7.9335 -7.9332 -7.6048 -7.6039 -7.3016 -7.3010 -7.0909 -7.0896 -3.3726 -3.3492 -3.3160 -3.2747 -2.7770 -2.7195 -2.6705 -2.6398 -2.6178 -2.6057 -0.5968 -0.5797 0.3234 0.3323 0.6326 0.6385 1.2330 1.2370 1.6241 1.6450 2.0024 2.0176 2.2885 2.2986 2.7207 2.7448 2.9765 3.0089 3.1533 3.1705 3.7714 3.7801 4.0687 4.0747 8.5124 8.5255 8.8241 8.8294 9.0958 9.1010 9.5840 9.5948 k = 0.2170 0.5807 0.3254 ( 4495 PWs) bands (ev): -7.9455 -7.9452 -7.5976 -7.5968 -7.2939 -7.2934 -7.0911 -7.0898 -3.3723 -3.3495 -3.3127 -3.2739 -2.7752 -2.7200 -2.6685 -2.6377 -2.6177 -2.6051 -0.6186 -0.6029 0.3431 0.3514 0.6519 0.6568 1.2038 1.2080 1.6027 1.6222 2.0116 2.0248 2.2906 2.2991 2.7039 2.7264 2.9828 3.0153 3.1641 3.1822 3.7665 3.7741 4.0675 4.0728 8.5536 8.5654 8.8445 8.8504 9.1391 9.1450 9.5817 9.5923 k = 0.1989 0.5753 0.3322 ( 4496 PWs) bands (ev): -7.9570 -7.9568 -7.5918 -7.5911 -7.2845 -7.2841 -7.0918 -7.0905 -3.3718 -3.3500 -3.3093 -3.2731 -2.7731 -2.7208 -2.6661 -2.6357 -2.6175 -2.6045 -0.6412 -0.6268 0.3646 0.3722 0.6718 0.6759 1.1749 1.1790 1.5775 1.5953 2.0227 2.0340 2.2931 2.3004 2.6878 2.7083 2.9907 3.0232 3.1766 3.1956 3.7593 3.7659 4.0643 4.0690 8.5932 8.6034 8.8707 8.8775 9.1795 9.1860 9.5846 9.5953 k = 0.1808 0.5699 0.3390 ( 4488 PWs) bands (ev): -7.9680 -7.9678 -7.5874 -7.5868 -7.2739 -7.2735 -7.0929 -7.0916 -3.3712 -3.3506 -3.3058 -3.2725 -2.7708 -2.7217 -2.6636 -2.6340 -2.6170 -2.6040 -0.6639 -0.6509 0.3876 0.3944 0.6919 0.6952 1.1469 1.1508 1.5486 1.5649 2.0352 2.0446 2.2961 2.3031 2.6721 2.6905 3.0006 3.0330 3.1902 3.2098 3.7500 3.7554 4.0594 4.0633 8.6292 8.6378 8.9043 8.9120 9.2159 9.2231 9.5938 9.6045 k = 0.1628 0.5645 0.3459 ( 4480 PWs) bands (ev): -7.9783 -7.9781 -7.5843 -7.5838 -7.2623 -7.2619 -7.0946 -7.0933 -3.3705 -3.3513 -3.3023 -3.2719 -2.7684 -2.7230 -2.6608 -2.6326 -2.6163 -2.6035 -0.6861 -0.6745 0.4115 0.4175 0.7119 0.7145 1.1206 1.1241 1.5166 1.5313 2.0483 2.0559 2.2997 2.3076 2.6565 2.6726 3.0132 3.0453 3.2040 3.2244 3.7387 3.7429 4.0528 4.0561 8.6604 8.6672 8.9460 8.9545 9.2477 9.2556 9.6095 9.6201 k = 0.1447 0.5591 0.3527 ( 4489 PWs) bands (ev): -7.9877 -7.9875 -7.5822 -7.5817 -7.2501 -7.2497 -7.0968 -7.0955 -3.3696 -3.3521 -3.2988 -3.2715 -2.7658 -2.7245 -2.6579 -2.6316 -2.6154 -2.6032 -0.7074 -0.6971 0.4357 0.4409 0.7316 0.7337 1.0962 1.0992 1.4822 1.4956 2.0611 2.0672 2.3047 2.3141 2.6402 2.6542 3.0285 3.0602 3.2177 3.2388 3.7255 3.7286 4.0450 4.0477 8.6862 8.6917 8.9951 9.0041 9.2749 9.2833 9.6312 9.6416 k = 0.1266 0.5537 0.3595 ( 4487 PWs) bands (ev): -7.9961 -7.9959 -7.5808 -7.5804 -7.2377 -7.2372 -7.0995 -7.0983 -3.3687 -3.3530 -3.2954 -3.2712 -2.7631 -2.7262 -2.6549 -2.6309 -2.6142 -2.6029 -0.7272 -0.7182 0.4596 0.4640 0.7509 0.7527 1.0742 1.0767 1.4464 1.4587 2.0728 2.0779 2.3117 2.3229 2.6230 2.6352 3.0466 3.0776 3.2306 3.2523 3.7109 3.7129 4.0363 4.0386 8.7073 8.7116 9.0498 9.0589 9.2980 9.3070 9.6577 9.6679 k = 0.1085 0.5484 0.3664 ( 4485 PWs) bands (ev): -8.0035 -8.0034 -7.5800 -7.5797 -7.2253 -7.2248 -7.1028 -7.1016 -3.3676 -3.3539 -3.2921 -3.2712 -2.7603 -2.7281 -2.6519 -2.6307 -2.6129 -2.6028 -0.7451 -0.7374 0.4824 0.4859 0.7698 0.7715 1.0546 1.0569 1.4104 1.4216 2.0830 2.0874 2.3214 2.3340 2.6045 2.6154 3.0670 3.0972 3.2421 3.2645 3.6952 3.6963 4.0272 4.0292 8.7244 8.7278 9.1073 9.1160 9.3181 9.3278 9.6876 9.6972 k = 0.0904 0.5430 0.3732 ( 4493 PWs) bands (ev): -8.0099 -8.0097 -7.5797 -7.5794 -7.2134 -7.2129 -7.1066 -7.1055 -3.3665 -3.3549 -3.2889 -3.2714 -2.7574 -2.7302 -2.6489 -2.6309 -2.6115 -2.6029 -0.7607 -0.7544 0.5032 0.5059 0.7884 0.7900 1.0375 1.0398 1.3755 1.3857 2.0913 2.0952 2.3339 2.3474 2.5848 2.5949 3.0890 3.1180 3.2520 3.2746 3.6792 3.6794 4.0184 4.0201 8.7383 8.7409 9.1640 9.1722 9.3365 9.3472 9.7187 9.7276 k = 0.0723 0.5376 0.3801 ( 4490 PWs) bands (ev): -8.0151 -8.0150 -7.5796 -7.5794 -7.2023 -7.2017 -7.1108 -7.1098 -3.3654 -3.3560 -3.2860 -3.2719 -2.7545 -2.7324 -2.6461 -2.6314 -2.6101 -2.6030 -0.7738 -0.7687 0.5213 0.5233 0.8064 0.8077 1.0229 1.0255 1.3433 1.3524 2.0977 2.1011 2.3490 2.3627 2.5642 2.5739 3.1116 3.1387 3.2599 3.2821 3.6633 3.6637 4.0102 4.0117 8.7493 8.7514 9.2153 9.2230 9.3556 9.3671 9.7494 9.7571 k = 0.0543 0.5322 0.3869 ( 4492 PWs) bands (ev): -8.0192 -8.0191 -7.5796 -7.5795 -7.1922 -7.1917 -7.1152 -7.1143 -3.3642 -3.3571 -3.2832 -3.2726 -2.7515 -2.7349 -2.6434 -2.6322 -2.6088 -2.6033 -0.7841 -0.7803 0.5359 0.5373 0.8231 0.8241 1.0109 1.0138 1.3156 1.3232 2.1024 2.1051 2.3660 2.3790 2.5437 2.5530 3.1336 3.1575 3.2660 3.2864 3.6489 3.6497 4.0034 4.0045 8.7579 8.7594 9.2561 9.2631 9.3777 9.3892 9.7779 9.7839 k = 0.0362 0.5268 0.3937 ( 4494 PWs) bands (ev): -8.0221 -8.0221 -7.5797 -7.5796 -7.1839 -7.1835 -7.1193 -7.1185 -3.3630 -3.3582 -3.2807 -3.2737 -2.7486 -2.7374 -2.6409 -2.6334 -2.6075 -2.6038 -0.7914 -0.7889 0.5467 0.5475 0.8373 0.8379 1.0019 1.0045 1.2944 1.2999 2.1057 2.1076 2.3835 2.3946 2.5250 2.5333 3.1532 3.1719 3.2709 3.2873 3.6376 3.6384 3.9982 3.9990 8.7640 8.7650 9.2835 9.2888 9.4026 9.4118 9.8020 9.8061 k = 0.0181 0.5214 0.4006 ( 4494 PWs) bands (ev): -8.0239 -8.0239 -7.5798 -7.5797 -7.1782 -7.1779 -7.1223 -7.1219 -3.3618 -3.3594 -3.2785 -3.2750 -2.7457 -2.7401 -2.6386 -2.6349 -2.6063 -2.6045 -0.7956 -0.7943 0.5533 0.5537 0.8471 0.8474 0.9964 0.9981 1.2814 1.2843 2.1077 2.1087 2.3989 2.4059 2.5115 2.5170 3.1688 3.1793 3.2756 3.2851 3.6304 3.6309 3.9950 3.9955 8.7678 8.7683 9.2987 9.3014 9.4240 9.4290 9.8191 9.8214 k = 0.0000 0.5160 0.4074 ( 4496 PWs) bands (ev): -8.0245 -8.0245 -7.5798 -7.5798 -7.1760 -7.1760 -7.1233 -7.1233 -3.3606 -3.3606 -3.2766 -3.2766 -2.7429 -2.7429 -2.6366 -2.6366 -2.6053 -2.6053 -0.7966 -0.7966 0.5556 0.5556 0.8508 0.8508 0.9951 0.9951 1.2779 1.2779 2.1087 2.1087 2.4079 2.4079 2.5083 2.5083 3.1781 3.1781 3.2807 3.2807 3.6281 3.6281 3.9941 3.9941 8.7692 8.7692 9.3043 9.3043 9.4339 9.4339 9.8263 9.8263 k = 0.0000 0.5160 0.4074 ( 4496 PWs) bands (ev): -8.0245 -8.0245 -7.5798 -7.5798 -7.1760 -7.1760 -7.1233 -7.1233 -3.3606 -3.3606 -3.2766 -3.2766 -2.7429 -2.7429 -2.6366 -2.6366 -2.6053 -2.6053 -0.7966 -0.7966 0.5556 0.5556 0.8508 0.8508 0.9951 0.9951 1.2779 1.2779 2.1087 2.1087 2.4079 2.4079 2.5083 2.5083 3.1781 3.1781 3.2807 3.2807 3.6281 3.6281 3.9941 3.9941 8.7692 8.7692 9.3043 9.3043 9.4339 9.4339 9.8263 9.8263 k = 0.0086 0.5049 0.4214 ( 4488 PWs) bands (ev): -8.0240 -8.0240 -7.5797 -7.5796 -7.1765 -7.1764 -7.1235 -7.1234 -3.3614 -3.3595 -3.2780 -3.2752 -2.7453 -2.7401 -2.6378 -2.6354 -2.6059 -2.6047 -0.7978 -0.7967 0.5494 0.5520 0.8323 0.8384 1.0064 1.0136 1.2810 1.2819 2.1090 2.1099 2.4007 2.4055 2.5123 2.5187 3.1747 3.1815 3.2791 3.2860 3.6281 3.6292 3.9937 3.9944 8.7672 8.7683 9.2987 9.3005 9.4289 9.4335 9.8219 9.8290 k = 0.0172 0.4938 0.4355 ( 4488 PWs) bands (ev): -8.0226 -8.0225 -7.5793 -7.5792 -7.1780 -7.1778 -7.1239 -7.1239 -3.3620 -3.3583 -3.2792 -3.2737 -2.7475 -2.7371 -2.6389 -2.6341 -2.6062 -2.6040 -0.8003 -0.7982 0.5334 0.5385 0.7966 0.8047 1.0376 1.0480 1.2912 1.2931 2.1103 2.1123 2.3889 2.3960 2.5286 2.5389 3.1716 3.1846 3.2815 3.2947 3.6293 3.6316 3.9931 3.9945 8.7621 8.7642 9.2847 9.2878 9.4189 9.4274 9.8165 9.8290 k = 0.0259 0.4827 0.4495 ( 4496 PWs) bands (ev): -8.0202 -8.0201 -7.5787 -7.5785 -7.1804 -7.1801 -7.1247 -7.1246 -3.3624 -3.3569 -3.2804 -3.2722 -2.7494 -2.7340 -2.6399 -2.6330 -2.6065 -2.6032 -0.8040 -0.8009 0.5082 0.5157 0.7555 0.7638 1.0745 1.0857 1.3083 1.3114 2.1124 2.1157 2.3780 2.3855 2.5515 2.5638 3.1692 3.1873 3.2879 3.3061 3.6317 3.6351 3.9924 3.9945 8.7537 8.7568 9.2641 9.2681 9.4043 9.4158 9.8099 9.8254 k = 0.0345 0.4716 0.4636 ( 4490 PWs) bands (ev): -8.0168 -8.0167 -7.5778 -7.5776 -7.1838 -7.1833 -7.1257 -7.1255 -3.3626 -3.3554 -3.2815 -3.2707 -2.7509 -2.7306 -2.6408 -2.6319 -2.6065 -2.6024 -0.8087 -0.8048 0.4750 0.4845 0.7130 0.7210 1.1106 1.1216 1.3320 1.3366 2.1146 2.1197 2.3711 2.3783 2.5775 2.5910 3.1678 3.1896 3.2978 3.3197 3.6354 3.6399 3.9914 3.9942 8.7417 8.7455 9.2395 9.2439 9.3855 9.3991 9.8023 9.8189 k = 0.0431 0.4605 0.4776 ( 4492 PWs) bands (ev): -8.0125 -8.0124 -7.5768 -7.5765 -7.1880 -7.1874 -7.1270 -7.1268 -3.3625 -3.3537 -3.2825 -3.2693 -2.7520 -2.7272 -2.6415 -2.6310 -2.6063 -2.6016 -0.8143 -0.8095 0.4351 0.4461 0.6705 0.6780 1.1433 1.1539 1.3615 1.3677 2.1167 2.1238 2.3702 2.3770 2.6046 2.6190 3.1674 3.1920 3.3106 3.3350 3.6403 3.6459 3.9903 3.9938 8.7256 8.7301 9.2132 9.2177 9.3628 9.3778 9.7942 9.8107 k = 0.0517 0.4494 0.4917 ( 4490 PWs) bands (ev): -8.0073 -8.0071 -7.5755 -7.5753 -7.1930 -7.1924 -7.1287 -7.1284 -3.3622 -3.3519 -3.2834 -3.2679 -2.7527 -2.7237 -2.6421 -2.6302 -2.6058 -2.6008 -0.8205 -0.8150 0.3903 0.4024 0.6278 0.6349 1.1716 1.1817 1.3958 1.4036 2.1186 2.1279 2.3763 2.3829 2.6320 2.6471 3.1681 3.1948 3.3255 3.3514 3.6467 3.6533 3.9888 3.9930 8.7052 8.7101 9.1874 9.1918 9.3366 9.3526 9.7863 9.8023 k = 0.0603 0.4383 0.5057 ( 4490 PWs) bands (ev): -8.0011 -8.0009 -7.5742 -7.5739 -7.1987 -7.1980 -7.1307 -7.1304 -3.3616 -3.3501 -3.2841 -3.2665 -2.7530 -2.7201 -2.6424 -2.6296 -2.6052 -2.6001 -0.8270 -0.8208 0.3420 0.3548 0.5848 0.5914 1.1950 1.2049 1.4337 1.4427 2.1208 2.1325 2.3895 2.3963 2.6591 2.6748 3.1700 3.1981 3.3417 3.3686 3.6544 3.6619 3.9870 3.9920 8.6802 8.6854 9.1634 9.1677 9.3078 9.3243 9.7795 9.7949 k = 0.0690 0.4272 0.5198 ( 4484 PWs) bands (ev): -7.9940 -7.9938 -7.5727 -7.5724 -7.2052 -7.2044 -7.1330 -7.1326 -3.3607 -3.3481 -3.2848 -3.2653 -2.7530 -2.7165 -2.6426 -2.6292 -2.6044 -2.5994 -0.8336 -0.8268 0.2915 0.3048 0.5410 0.5473 1.2132 1.2233 1.4743 1.4842 2.1243 2.1380 2.4096 2.4170 2.6855 2.7019 3.1730 3.2023 3.3587 3.3859 3.6636 3.6720 3.9849 3.9905 8.6507 8.6559 9.1419 9.1461 9.2770 9.2938 9.7748 9.7896 k = 0.0776 0.4161 0.5338 ( 4486 PWs) bands (ev): -7.9861 -7.9858 -7.5713 -7.5709 -7.2122 -7.2113 -7.1356 -7.1351 -3.3596 -3.3460 -3.2853 -3.2642 -2.7524 -2.7129 -2.6427 -2.6289 -2.6035 -2.5988 -0.8398 -0.8327 0.2400 0.2535 0.4964 0.5024 1.2260 1.2364 1.5170 1.5274 2.1297 2.1452 2.4359 2.4438 2.7110 2.7280 3.1770 3.2073 3.3757 3.4028 3.6743 3.6833 3.9824 3.9887 8.6172 8.6222 9.1229 9.1272 9.2455 9.2621 9.7729 9.7873 k = 0.0862 0.4050 0.5479 ( 4482 PWs) bands (ev): -7.9773 -7.9770 -7.5699 -7.5695 -7.2197 -7.2188 -7.1385 -7.1379 -3.3582 -3.3439 -3.2857 -3.2632 -2.7515 -2.7093 -2.6426 -2.6287 -2.6026 -2.5983 -0.8456 -0.8381 0.1881 0.2016 0.4510 0.4568 1.2332 1.2441 1.5614 1.5722 2.1376 2.1545 2.4675 2.4758 2.7354 2.7531 3.1822 3.2133 3.3924 3.4190 3.6863 3.6959 3.9794 3.9864 8.5801 8.5848 9.1059 9.1102 9.2144 9.2303 9.7743 9.7884 k = 0.0948 0.3940 0.5619 ( 4480 PWs) bands (ev): -7.9676 -7.9673 -7.5687 -7.5683 -7.2275 -7.2266 -7.1417 -7.1410 -3.3565 -3.3417 -3.2861 -3.2625 -2.7502 -2.7058 -2.6423 -2.6287 -2.6018 -2.5978 -0.8505 -0.8427 0.1365 0.1499 0.4050 0.4106 1.2351 1.2463 1.6076 1.6184 2.1482 2.1662 2.5032 2.5118 2.7589 2.7772 3.1883 3.2201 3.4082 3.4340 3.6996 3.7095 3.9759 3.9837 8.5400 8.5445 9.0902 9.0943 9.1853 9.1998 9.7795 9.7934 k = 0.1034 0.3829 0.5760 ( 4486 PWs) bands (ev): -7.9572 -7.9569 -7.5678 -7.5673 -7.2357 -7.2347 -7.1452 -7.1444 -3.3547 -3.3395 -3.2864 -3.2620 -2.7484 -2.7023 -2.6420 -2.6287 -2.6011 -2.5973 -0.8544 -0.8464 0.0854 0.0987 0.3587 0.3641 1.2319 1.2434 1.6552 1.6660 2.1614 2.1801 2.5416 2.5506 2.7818 2.8006 3.1955 3.2279 3.4230 3.4476 3.7138 3.7240 3.9721 3.9805 8.4977 8.5018 9.0745 9.0780 9.1598 9.1719 9.7886 9.8025 k = 0.1121 0.3718 0.5900 ( 4482 PWs) bands (ev): -7.9460 -7.9457 -7.5672 -7.5668 -7.2440 -7.2429 -7.1489 -7.1481 -3.3525 -3.3372 -3.2866 -3.2616 -2.7463 -2.6989 -2.6416 -2.6287 -2.6008 -2.5969 -0.8569 -0.8489 0.0353 0.0483 0.3123 0.3176 1.2244 1.2360 1.7040 1.7149 2.1768 2.1961 2.5810 2.5905 2.8046 2.8238 3.2035 3.2364 3.4365 3.4598 3.7285 3.7390 3.9679 3.9768 8.4538 8.4576 9.0573 9.0607 9.1394 9.1479 9.8016 9.8158 k = 0.1207 0.3607 0.6041 ( 4482 PWs) bands (ev): -7.9340 -7.9337 -7.5672 -7.5667 -7.2522 -7.2511 -7.1529 -7.1520 -3.3502 -3.3350 -3.2868 -3.2616 -2.7438 -2.6955 -2.6412 -2.6286 -2.6007 -2.5964 -0.8579 -0.8499 -0.0137 -0.0010 0.2661 0.2713 1.2132 1.2247 1.7538 1.7647 2.1943 2.2138 2.6196 2.6300 2.8280 2.8474 3.2124 3.2457 3.4487 3.4706 3.7433 3.7540 3.9635 3.9729 8.4087 8.4122 9.0376 9.0425 9.1240 9.1287 9.8183 9.8331 k = 0.1293 0.3496 0.6181 ( 4480 PWs) bands (ev): -7.9214 -7.9210 -7.5678 -7.5673 -7.2603 -7.2592 -7.1571 -7.1561 -3.3476 -3.3326 -3.2870 -3.2618 -2.7409 -2.6923 -2.6409 -2.6286 -2.6010 -2.5959 -0.8572 -0.8492 -0.0614 -0.0491 0.2206 0.2257 1.1992 1.2106 1.8040 1.8149 2.2135 2.2331 2.6551 2.6670 2.8532 2.8723 3.2222 3.2558 3.4595 3.4801 3.7574 3.7685 3.9590 3.9688 8.3632 8.3664 9.0170 9.0237 9.1122 9.1140 9.8379 9.8537 k = 0.1379 0.3385 0.6322 ( 4476 PWs) bands (ev): -7.9081 -7.9077 -7.5692 -7.5687 -7.2680 -7.2669 -7.1614 -7.1603 -3.3449 -3.3303 -3.2871 -3.2622 -2.7378 -2.6891 -2.6406 -2.6284 -2.6015 -2.5955 -0.8546 -0.8467 -0.1078 -0.0960 0.1761 0.1812 1.1833 1.1943 1.8540 1.8651 2.2341 2.2539 2.6857 2.6994 2.8811 2.8992 3.2329 3.2666 3.4692 3.4885 3.7704 3.7820 3.9548 3.9648 8.3177 8.3206 8.9969 9.0050 9.1015 9.1040 9.8589 9.8764 k = 0.1466 0.3274 0.6462 ( 4480 PWs) bands (ev): -7.8942 -7.8938 -7.5715 -7.5711 -7.2753 -7.2742 -7.1659 -7.1648 -3.3420 -3.3280 -3.2873 -3.2630 -2.7344 -2.6859 -2.6405 -2.6282 -2.6024 -2.5953 -0.8500 -0.8423 -0.1528 -0.1416 0.1331 0.1380 1.1661 1.1768 1.9031 1.9146 2.2563 2.2763 2.7103 2.7258 2.9117 2.9280 3.2447 3.2785 3.4779 3.4961 3.7815 3.7937 3.9509 3.9611 8.2727 8.2754 8.9785 8.9874 9.0920 9.0961 9.8785 9.8981 k = 0.1552 0.3163 0.6603 ( 4480 PWs) bands (ev): -7.8798 -7.8794 -7.5750 -7.5745 -7.2819 -7.2808 -7.1704 -7.1693 -3.3390 -3.3256 -3.2875 -3.2640 -2.7308 -2.6828 -2.6405 -2.6279 -2.6035 -2.5953 -0.8433 -0.8358 -0.1966 -0.1859 0.0918 0.0966 1.1484 1.1586 1.9506 1.9625 2.2799 2.3002 2.7288 2.7458 2.9438 2.9578 3.2579 3.2915 3.4858 3.5033 3.7903 3.8032 3.9479 3.9580 8.2287 8.2312 8.9625 8.9716 9.0834 9.0887 9.8924 9.9141 k = 0.1638 0.3052 0.6743 ( 4478 PWs) bands (ev): -7.8649 -7.8645 -7.5796 -7.5792 -7.2877 -7.2866 -7.1750 -7.1738 -3.3359 -3.3231 -3.2877 -3.2653 -2.7270 -2.6798 -2.6406 -2.6274 -2.6048 -2.5954 -0.8344 -0.8271 -0.2390 -0.2290 0.0527 0.0574 1.1306 1.1404 1.9955 2.0080 2.3053 2.3260 2.7419 2.7600 2.9752 2.9866 3.2728 3.3062 3.4932 3.5104 3.7964 3.8101 3.9457 3.9555 8.1864 8.1886 8.9491 8.9581 9.0752 9.0813 9.8995 9.9228 k = 0.1724 0.2941 0.6884 ( 4472 PWs) bands (ev): -7.8496 -7.8492 -7.5855 -7.5851 -7.2927 -7.2916 -7.1796 -7.1784 -3.3328 -3.3207 -3.2879 -3.2669 -2.7231 -2.6770 -2.6410 -2.6268 -2.6063 -2.5957 -0.8234 -0.8163 -0.2802 -0.2709 0.0162 0.0208 1.1134 1.1227 2.0370 2.0502 2.3326 2.3539 2.7504 2.7694 3.0031 3.0124 3.2899 3.3231 3.5002 3.5180 3.7998 3.8140 3.9444 3.9538 8.1461 8.1481 8.9383 8.9470 9.0669 9.0734 9.9033 9.9273 k = 0.1810 0.2830 0.7024 ( 4472 PWs) bands (ev): -7.8340 -7.8335 -7.5927 -7.5923 -7.2968 -7.2958 -7.1840 -7.1828 -3.3298 -3.3181 -3.2881 -3.2687 -2.7192 -2.6742 -2.6414 -2.6262 -2.6080 -2.5961 -0.8102 -0.8033 -0.3201 -0.3116 -0.0173 -0.0129 1.0970 1.1059 2.0743 2.0883 2.3618 2.3838 2.7553 2.7750 3.0252 3.0336 3.3089 3.3422 3.5073 3.5267 3.8005 3.8151 3.9439 3.9526 8.1084 8.1102 8.9302 8.9385 9.0581 9.0649 9.9074 9.9311 k = 0.1897 0.2719 0.7165 ( 4468 PWs) bands (ev): -7.8181 -7.8176 -7.6012 -7.6007 -7.3000 -7.2990 -7.1883 -7.1871 -3.3269 -3.3154 -3.2884 -3.2709 -2.7153 -2.6717 -2.6418 -2.6255 -2.6098 -2.5967 -0.7949 -0.7882 -0.3589 -0.3512 -0.0476 -0.0433 1.0819 1.0903 2.1069 2.1217 2.3929 2.4156 2.7574 2.7776 3.0403 3.0494 3.3291 3.3631 3.5149 3.5371 3.7990 3.8136 3.9438 3.9517 8.0739 8.0754 8.9246 8.9324 9.0489 9.0556 9.9136 9.9361 k = 0.1983 0.2609 0.7305 ( 4474 PWs) bands (ev): -7.8021 -7.8016 -7.6109 -7.6104 -7.3024 -7.3015 -7.1923 -7.1912 -3.3242 -3.3125 -3.2888 -3.2732 -2.7116 -2.6694 -2.6423 -2.6248 -2.6117 -2.5974 -0.7775 -0.7711 -0.3965 -0.3894 -0.0743 -0.0702 1.0683 1.0763 2.1346 2.1499 2.4253 2.4486 2.7572 2.7775 3.0488 3.0594 3.3490 3.3847 3.5235 3.5495 3.7958 3.8101 3.9437 3.9507 8.0429 8.0442 8.9214 8.9285 9.0392 9.0458 9.9222 9.9431 k = 0.2069 0.2498 0.7445 ( 4468 PWs) bands (ev): -7.7861 -7.7856 -7.6216 -7.6211 -7.3040 -7.3032 -7.1960 -7.1949 -3.3219 -3.3095 -3.2891 -3.2758 -2.7080 -2.6676 -2.6425 -2.6242 -2.6137 -2.5981 -0.7584 -0.7521 -0.4328 -0.4263 -0.0973 -0.0933 1.0564 1.0641 2.1574 2.1731 2.4580 2.4818 2.7551 2.7753 3.0519 3.0642 3.3672 3.4051 3.5334 3.5640 3.7913 3.8050 3.9435 3.9495 8.0160 8.0170 8.9203 8.9267 9.0292 9.0356 9.9330 9.9518 k = 0.2155 0.2387 0.7586 ( 4462 PWs) bands (ev): -7.7704 -7.7699 -7.6331 -7.6326 -7.3051 -7.3043 -7.1991 -7.1981 -3.3200 -3.3063 -3.2895 -3.2786 -2.7048 -2.6661 -2.6425 -2.6235 -2.6157 -2.5988 -0.7377 -0.7316 -0.4674 -0.4615 -0.1162 -0.1124 1.0464 1.0538 2.1755 2.1915 2.4897 2.5137 2.7517 2.7711 3.0512 3.0650 3.3825 3.4226 3.5450 3.5799 3.7861 3.7989 3.9429 3.9480 7.9934 7.9942 8.9210 8.9266 9.0194 9.0254 9.9452 9.9614 k = 0.2241 0.2276 0.7726 ( 4458 PWs) bands (ev): -7.7553 -7.7548 -7.6450 -7.6445 -7.3057 -7.3050 -7.2018 -7.2008 -3.3185 -3.3029 -3.2898 -3.2815 -2.7021 -2.6652 -2.6423 -2.6230 -2.6175 -2.5994 -0.7161 -0.7103 -0.4997 -0.4944 -0.1311 -0.1274 1.0386 1.0457 2.1892 2.2053 2.5184 2.5425 2.7477 2.7652 3.0484 3.0632 3.3942 3.4360 3.5573 3.5959 3.7808 3.7922 3.9421 3.9464 7.9755 7.9761 8.9230 8.9278 9.0104 9.0158 9.9574 9.9708 k = 0.2328 0.2165 0.7867 ( 4452 PWs) bands (ev): -7.7415 -7.7410 -7.6565 -7.6560 -7.3060 -7.3054 -7.2037 -7.2028 -3.3174 -3.2995 -3.2903 -3.2844 -2.6999 -2.6647 -2.6418 -2.6226 -2.6190 -2.5999 -0.6949 -0.6894 -0.5283 -0.5237 -0.1418 -0.1381 1.0329 1.0398 2.1988 2.2150 2.5422 2.5658 2.7440 2.7583 3.0449 3.0605 3.4023 3.4450 3.5686 3.6099 3.7762 3.7858 3.9413 3.9449 7.9625 7.9630 8.9258 8.9295 9.0028 9.0076 9.9683 9.9785 k = 0.2414 0.2054 0.8007 ( 4458 PWs) bands (ev): -7.7307 -7.7303 -7.6658 -7.6655 -7.3061 -7.3056 -7.2049 -7.2041 -3.3167 -3.2962 -3.2911 -3.2868 -2.6986 -2.6645 -2.6414 -2.6224 -2.6200 -2.6002 -0.6772 -0.6723 -0.5501 -0.5463 -0.1482 -0.1446 1.0294 1.0362 2.2045 2.2207 2.5583 2.5813 2.7421 2.7518 3.0422 3.0583 3.4070 3.4501 3.5768 3.6197 3.7731 3.7810 3.9407 3.9438 7.9547 7.9550 8.9285 8.9307 8.9978 9.0018 9.9760 9.9834 k = 0.2500 0.1943 0.8148 ( 4448 PWs) bands (ev): -7.7262 -7.7259 -7.6697 -7.6696 -7.3061 -7.3056 -7.2053 -7.2045 -3.3165 -3.2937 -3.2927 -3.2878 -2.6981 -2.6644 -2.6413 -2.6223 -2.6203 -2.6003 -0.6696 -0.6651 -0.5587 -0.5557 -0.1504 -0.1468 1.0283 1.0350 2.2063 2.2225 2.5641 2.5867 2.7421 2.7485 3.0412 3.0574 3.4086 3.4518 3.5797 3.6232 3.7720 3.7791 3.9405 3.9434 7.9521 7.9523 8.9299 8.9310 8.9961 8.9997 9.9789 9.9850 k = 0.2500 0.1943 0.8148 ( 4448 PWs) bands (ev): -7.7262 -7.7259 -7.6697 -7.6696 -7.3061 -7.3056 -7.2053 -7.2045 -3.3165 -3.2937 -3.2927 -3.2878 -2.6981 -2.6644 -2.6413 -2.6223 -2.6203 -2.6003 -0.6696 -0.6651 -0.5587 -0.5557 -0.1504 -0.1468 1.0283 1.0350 2.2063 2.2225 2.5641 2.5867 2.7421 2.7485 3.0412 3.0574 3.4086 3.4518 3.5797 3.6232 3.7720 3.7791 3.9405 3.9434 7.9521 7.9523 8.9299 8.9310 8.9961 8.9997 9.9789 9.9850 k = 0.2625 0.2040 0.8025 ( 4455 PWs) bands (ev): -7.7278 -7.7275 -7.6683 -7.6681 -7.3061 -7.3056 -7.2052 -7.2043 -3.3165 -3.2951 -3.2917 -3.2874 -2.6982 -2.6645 -2.6413 -2.6233 -2.6192 -2.6002 -0.6749 -0.6702 -0.5557 -0.5523 -0.1463 -0.1427 1.0303 1.0371 2.2016 2.2176 2.5597 2.5824 2.7439 2.7515 3.0408 3.0568 3.4091 3.4514 3.5810 3.6235 3.7726 3.7799 3.9414 3.9443 7.9507 7.9510 8.9316 8.9332 8.9956 8.9994 9.9780 9.9846 k = 0.2750 0.2137 0.7902 ( 4457 PWs) bands (ev): -7.7318 -7.7314 -7.6649 -7.6646 -7.3060 -7.3055 -7.2048 -7.2039 -3.3167 -3.2971 -3.2912 -3.2861 -2.6986 -2.6648 -2.6416 -2.6245 -2.6175 -2.5999 -0.6886 -0.6835 -0.5476 -0.5437 -0.1348 -0.1311 1.0365 1.0433 2.1877 2.2031 2.5489 2.5717 2.7476 2.7563 3.0397 3.0553 3.4109 3.4505 3.5848 3.6245 3.7743 3.7824 3.9441 3.9471 7.9464 7.9468 8.9374 8.9400 8.9942 8.9988 9.9761 9.9838 k = 0.2875 0.2234 0.7779 ( 4457 PWs) bands (ev): -7.7368 -7.7364 -7.6607 -7.6604 -7.3059 -7.3053 -7.2042 -7.2034 -3.3170 -3.2992 -3.2911 -3.2844 -2.6992 -2.6654 -2.6421 -2.6253 -2.6158 -2.5993 -0.7066 -0.7012 -0.5370 -0.5329 -0.1169 -0.1131 1.0465 1.0533 2.1655 2.1801 2.5341 2.5569 2.7504 2.7594 3.0383 3.0531 3.4136 3.4492 3.5911 3.6267 3.7774 3.7866 3.9483 3.9514 7.9391 7.9396 8.9473 8.9515 8.9921 8.9986 9.9739 9.9829 k = 0.3000 0.2332 0.7656 ( 4461 PWs) bands (ev): -7.7420 -7.7416 -7.6565 -7.6562 -7.3057 -7.3051 -7.2036 -7.2027 -3.3175 -3.3014 -3.2914 -3.2824 -2.7002 -2.6662 -2.6430 -2.6257 -2.6142 -2.5986 -0.7257 -0.7202 -0.5259 -0.5218 -0.0937 -0.0898 1.0600 1.0669 2.1363 2.1499 2.5162 2.5386 2.7512 2.7597 3.0366 3.0503 3.4167 3.4473 3.5996 3.6304 3.7819 3.7921 3.9540 3.9572 7.9290 7.9298 8.9587 8.9660 8.9910 9.0014 9.9714 9.9818 k = 0.3125 0.2429 0.7533 ( 4467 PWs) bands (ev): -7.7469 -7.7465 -7.6527 -7.6524 -7.3055 -7.3048 -7.2029 -7.2021 -3.3181 -3.3036 -3.2919 -3.2805 -2.7014 -2.6674 -2.6441 -2.6257 -2.6127 -2.5978 -0.7439 -0.7384 -0.5154 -0.5113 -0.0665 -0.0624 1.0770 1.0838 2.1016 2.1142 2.4951 2.5168 2.7503 2.7577 3.0341 3.0465 3.4193 3.4447 3.6099 3.6358 3.7875 3.7984 3.9611 3.9643 7.9168 7.9179 8.9661 8.9743 9.0004 9.0127 9.9683 9.9800 k = 0.3250 0.2526 0.7410 ( 4467 PWs) bands (ev): -7.7512 -7.7508 -7.6496 -7.6493 -7.3051 -7.3044 -7.2024 -7.2015 -3.3190 -3.3058 -3.2926 -3.2787 -2.7031 -2.6688 -2.6453 -2.6254 -2.6114 -2.5969 -0.7597 -0.7542 -0.5057 -0.5020 -0.0362 -0.0318 1.0969 1.1038 2.0630 2.0746 2.4703 2.4909 2.7485 2.7545 3.0303 3.0415 3.4210 3.4413 3.6212 3.6425 3.7937 3.8049 3.9696 3.9727 7.9032 7.9047 8.9669 8.9721 9.0244 9.0350 9.9639 9.9766 k = 0.3375 0.2623 0.7287 ( 4466 PWs) bands (ev): -7.7549 -7.7545 -7.6472 -7.6469 -7.3047 -7.3040 -7.2021 -7.2012 -3.3201 -3.3079 -3.2933 -3.2771 -2.7051 -2.6704 -2.6465 -2.6250 -2.6103 -2.5960 -0.7722 -0.7667 -0.4971 -0.4938 -0.0038 0.0008 1.1194 1.1263 2.0219 2.0328 2.4418 2.4609 2.7464 2.7511 3.0248 3.0348 3.4216 3.4374 3.6327 3.6503 3.7998 3.8109 3.9792 3.9821 7.8892 7.8911 8.9643 8.9674 9.0548 9.0647 9.9571 9.9703 k = 0.3500 0.2720 0.7164 ( 4466 PWs) bands (ev): -7.7577 -7.7573 -7.6456 -7.6454 -7.3041 -7.3034 -7.2021 -7.2011 -3.3216 -3.3097 -3.2941 -3.2758 -2.7075 -2.6723 -2.6477 -2.6246 -2.6095 -2.5951 -0.7807 -0.7753 -0.4896 -0.4866 0.0298 0.0347 1.1441 1.1511 1.9797 1.9900 2.4100 2.4276 2.7444 2.7478 3.0173 3.0262 3.4210 3.4334 3.6439 3.6585 3.8052 3.8159 3.9896 3.9923 7.8758 7.8780 8.9606 8.9624 9.0891 9.0992 9.9469 9.9598 k = 0.3625 0.2817 0.7041 ( 4468 PWs) bands (ev): -7.7596 -7.7592 -7.6450 -7.6447 -7.3035 -7.3027 -7.2023 -7.2012 -3.3234 -3.3114 -3.2950 -3.2746 -2.7104 -2.6742 -2.6488 -2.6243 -2.6090 -2.5945 -0.7847 -0.7795 -0.4831 -0.4805 0.0636 0.0689 1.1705 1.1775 1.9376 1.9475 2.3756 2.3915 2.7423 2.7446 3.0080 3.0159 3.4196 3.4295 3.6545 3.6668 3.8093 3.8194 4.0002 4.0027 7.8638 7.8665 8.9567 8.9579 9.1261 9.1370 9.9328 9.9447 k = 0.3750 0.2915 0.6917 ( 4468 PWs) bands (ev): -7.7606 -7.7602 -7.6452 -7.6450 -7.3027 -7.3019 -7.2029 -7.2018 -3.3256 -3.3129 -3.2959 -3.2738 -2.7136 -2.6763 -2.6497 -2.6240 -2.6089 -2.5940 -0.7840 -0.7788 -0.4775 -0.4753 0.0970 0.1025 1.1981 1.2052 1.8967 1.9063 2.3395 2.3539 2.7396 2.7415 2.9969 3.0038 3.4177 3.4258 3.6644 3.6748 3.8116 3.8211 4.0100 4.0126 7.8542 7.8573 8.9531 8.9544 9.1650 9.1768 9.9145 9.9253 k = 0.3875 0.3012 0.6794 ( 4476 PWs) bands (ev): -7.7606 -7.7603 -7.6464 -7.6462 -7.3018 -7.3010 -7.2037 -7.2026 -3.3281 -3.3142 -3.2968 -3.2733 -2.7173 -2.6784 -2.6505 -2.6238 -2.6091 -2.5938 -0.7782 -0.7732 -0.4727 -0.4707 0.1289 0.1348 1.2263 1.2334 1.8581 1.8675 2.3027 2.3157 2.7359 2.7381 2.9844 2.9902 3.4154 3.4227 3.6735 3.6825 3.8119 3.8210 4.0183 4.0211 7.8475 7.8511 8.9503 8.9520 9.2048 9.2177 9.8923 9.9023 k = 0.4000 0.3109 0.6671 ( 4471 PWs) bands (ev): -7.7596 -7.7593 -7.6486 -7.6484 -7.3007 -7.2999 -7.2049 -7.2038 -3.3308 -3.3154 -3.2977 -3.2730 -2.7212 -2.6805 -2.6511 -2.6237 -2.6097 -2.5938 -0.7674 -0.7624 -0.4686 -0.4669 0.1588 0.1649 1.2544 1.2616 1.8226 1.8320 2.2662 2.2780 2.7309 2.7335 2.9707 2.9756 3.4131 3.4200 3.6818 3.6896 3.8104 3.8192 4.0242 4.0272 7.8443 7.8484 8.9488 8.9510 9.2446 9.2587 9.8666 9.8765 k = 0.4125 0.3206 0.6548 ( 4478 PWs) bands (ev): -7.7576 -7.7573 -7.6518 -7.6516 -7.2995 -7.2987 -7.2064 -7.2052 -3.3337 -3.3165 -3.2985 -3.2731 -2.7254 -2.6827 -2.6517 -2.6236 -2.6106 -2.5940 -0.7515 -0.7466 -0.4651 -0.4636 0.1858 0.1922 1.2817 1.2889 1.7912 1.8005 2.2309 2.2417 2.7243 2.7273 2.9563 2.9602 3.4109 3.4179 3.6894 3.6962 3.8072 3.8158 4.0270 4.0304 7.8450 7.8495 8.9486 8.9514 9.2837 9.2988 9.8376 9.8486 k = 0.4250 0.3303 0.6425 ( 4474 PWs) bands (ev): -7.7546 -7.7543 -7.6561 -7.6559 -7.2981 -7.2973 -7.2080 -7.2068 -3.3367 -3.3177 -3.2992 -3.2733 -2.7298 -2.6850 -2.6521 -2.6235 -2.6118 -2.5945 -0.7305 -0.7257 -0.4623 -0.4607 0.2094 0.2159 1.3074 1.3146 1.7645 1.7739 2.1979 2.2079 2.7158 2.7189 2.9417 2.9447 3.4088 3.4160 3.6963 3.7022 3.8026 3.8112 4.0264 4.0301 7.8496 7.8547 8.9498 8.9531 9.3210 9.3370 9.8064 9.8190 k = 0.4375 0.3400 0.6302 ( 4477 PWs) bands (ev): -7.7506 -7.7504 -7.6616 -7.6613 -7.2966 -7.2958 -7.2098 -7.2085 -3.3397 -3.3188 -3.2999 -3.2739 -2.7343 -2.6872 -2.6524 -2.6236 -2.6132 -2.5953 -0.7048 -0.7001 -0.4600 -0.4582 0.2289 0.2356 1.3305 1.3379 1.7431 1.7526 2.1679 2.1775 2.7050 2.7081 2.9273 2.9295 3.4068 3.4144 3.7022 3.7074 3.7968 3.8057 4.0222 4.0263 7.8582 7.8637 8.9523 8.9562 9.3553 9.3718 9.7739 9.7886 k = 0.4500 0.3497 0.6179 ( 4472 PWs) bands (ev): -7.7457 -7.7455 -7.6681 -7.6678 -7.2950 -7.2942 -7.2115 -7.2102 -3.3427 -3.3200 -3.3006 -3.2746 -2.7388 -2.6895 -2.6527 -2.6238 -2.6146 -2.5962 -0.6747 -0.6700 -0.4580 -0.4559 0.2441 0.2509 1.3504 1.3579 1.7272 1.7370 2.1419 2.1513 2.6916 2.6947 2.9134 2.9152 3.4047 3.4127 3.7070 3.7116 3.7903 3.7994 4.0145 4.0191 7.8704 7.8765 8.9560 8.9604 9.3851 9.4015 9.7420 9.7589 k = 0.4625 0.3595 0.6056 ( 4476 PWs) bands (ev): -7.7401 -7.7398 -7.6758 -7.6754 -7.2933 -7.2924 -7.2131 -7.2119 -3.3457 -3.3213 -3.3012 -3.2755 -2.7432 -2.6919 -2.6530 -2.6243 -2.6158 -2.5972 -0.6406 -0.6359 -0.4562 -0.4537 0.2547 0.2616 1.3662 1.3740 1.7168 1.7271 2.1207 2.1303 2.6754 2.6787 2.9001 2.9025 3.4022 3.4107 3.7104 3.7145 3.7831 3.7925 4.0040 4.0091 7.8859 7.8926 8.9603 8.9653 9.4083 9.4238 9.7128 9.7320 k = 0.4750 0.3692 0.5933 ( 4478 PWs) bands (ev): -7.7339 -7.7336 -7.6842 -7.6838 -7.2914 -7.2905 -7.2145 -7.2133 -3.3485 -3.3226 -3.3017 -3.2764 -2.7474 -2.6942 -2.6532 -2.6251 -2.6168 -2.5984 -0.6037 -0.5988 -0.4539 -0.4509 0.2610 0.2679 1.3775 1.3858 1.7115 1.7224 2.1050 2.1149 2.6565 2.6602 2.8878 2.8913 3.3992 3.4081 3.7122 3.7156 3.7756 3.7852 3.9916 3.9972 7.9043 7.9115 8.9646 8.9701 9.4225 9.4359 9.6888 9.7106 k = 0.4875 0.3789 0.5810 ( 4478 PWs) bands (ev): -7.7285 -7.7281 -7.6925 -7.6919 -7.2894 -7.2885 -7.2156 -7.2144 -3.3512 -3.3239 -3.3023 -3.2774 -2.7514 -2.6966 -2.6534 -2.6264 -2.6173 -2.5996 -0.5658 -0.5607 -0.4496 -0.4460 0.2631 0.2700 1.3845 1.3932 1.7101 1.7217 2.0953 2.1059 2.6351 2.6394 2.8768 2.8815 3.3951 3.4044 3.7117 3.7142 3.7678 3.7774 3.9787 3.9847 7.9248 7.9325 8.9679 8.9739 9.4256 9.4361 9.6707 9.6953 k = 0.5000 0.3886 0.5687 ( 4474 PWs) bands (ev): -7.7270 -7.7265 -7.6971 -7.6965 -7.2872 -7.2863 -7.2163 -7.2151 -3.3537 -3.3252 -3.3029 -3.2784 -2.7551 -2.6990 -2.6536 -2.6281 -2.6173 -2.6009 -0.5317 -0.5262 -0.4392 -0.4350 0.2618 0.2686 1.3875 1.3966 1.7116 1.7238 2.0921 2.1032 2.6116 2.6167 2.8673 2.8730 3.3897 3.3994 3.7079 3.7096 3.7599 3.7697 3.9669 3.9732 7.9468 7.9551 8.9689 8.9752 9.4179 9.4261 9.6529 9.6798 k = 0.5000 0.3886 0.5687 ( 4474 PWs) bands (ev): -7.7270 -7.7265 -7.6971 -7.6965 -7.2872 -7.2863 -7.2163 -7.2151 -3.3537 -3.3252 -3.3029 -3.2784 -2.7551 -2.6990 -2.6536 -2.6281 -2.6173 -2.6009 -0.5317 -0.5262 -0.4392 -0.4350 0.2618 0.2686 1.3875 1.3966 1.7116 1.7238 2.0921 2.1032 2.6116 2.6167 2.8673 2.8730 3.3897 3.3994 3.7079 3.7096 3.7599 3.7697 3.9669 3.9732 7.9468 7.9551 8.9689 8.9752 9.4179 9.4261 9.6529 9.6798 k = 0.5000 0.3886 0.5484 ( 4478 PWs) bands (ev): -7.7318 -7.7313 -7.6982 -7.6976 -7.2833 -7.2823 -7.2168 -7.2157 -3.3573 -3.3275 -3.3042 -3.2799 -2.7604 -2.7031 -2.6540 -2.6309 -2.6172 -2.6029 -0.4829 -0.4771 -0.4120 -0.4075 0.2575 0.2638 1.3897 1.3994 1.7160 1.7291 2.0918 2.1038 2.5718 2.5781 2.8530 2.8603 3.3793 3.3896 3.6971 3.6986 3.7472 3.7576 3.9489 3.9554 7.9840 7.9932 8.9624 8.9690 9.3931 9.4011 9.6154 9.6418 k = 0.5000 0.3886 0.5281 ( 4480 PWs) bands (ev): -7.7379 -7.7374 -7.6989 -7.6983 -7.2788 -7.2778 -7.2170 -7.2159 -3.3604 -3.3298 -3.3057 -3.2814 -2.7651 -2.7073 -2.6545 -2.6336 -2.6172 -2.6050 -0.4360 -0.4294 -0.3839 -0.3784 0.2546 0.2600 1.3927 1.4031 1.7210 1.7349 2.0912 2.1040 2.5335 2.5407 2.8399 2.8485 3.3683 3.3792 3.6854 3.6873 3.7348 3.7458 3.9305 3.9371 8.0204 8.0306 8.9438 8.9502 9.3627 9.3727 9.5715 9.5939 k = 0.5000 0.3886 0.5078 ( 4488 PWs) bands (ev): -7.7450 -7.7446 -7.6993 -7.6988 -7.2738 -7.2729 -7.2167 -7.2157 -3.3629 -3.3323 -3.3075 -3.2829 -2.7689 -2.7116 -2.6551 -2.6364 -2.6173 -2.6068 -0.3940 -0.3855 -0.3551 -0.3465 0.2542 0.2582 1.3967 1.4077 1.7266 1.7414 2.0900 2.1038 2.4971 2.5051 2.8281 2.8379 3.3568 3.3683 3.6729 3.6754 3.7227 3.7343 3.9118 3.9186 8.0552 8.0664 8.9126 8.9179 9.3275 9.3391 9.5222 9.5405 k = 0.5000 0.3886 0.4875 ( 4492 PWs) bands (ev): -7.7528 -7.7525 -7.6998 -7.6993 -7.2684 -7.2674 -7.2159 -7.2151 -3.3648 -3.3348 -3.3096 -3.2841 -2.7720 -2.7160 -2.6557 -2.6392 -2.6174 -2.6085 -0.3598 -0.3484 -0.3246 -0.3110 0.2577 0.2597 1.4019 1.4135 1.7330 1.7485 2.0884 2.1030 2.4634 2.4719 2.8179 2.8286 3.3447 3.3567 3.6595 3.6629 3.7113 3.7235 3.8932 3.9000 8.0877 8.0998 8.8697 8.8737 9.2828 9.2952 9.4735 9.4920 k = 0.5000 0.3886 0.4672 ( 4504 PWs) bands (ev): -7.7613 -7.7610 -7.7006 -7.7000 -7.2625 -7.2615 -7.2146 -7.2139 -3.3660 -3.3375 -3.3119 -3.2853 -2.7744 -2.7202 -2.6562 -2.6422 -2.6176 -2.6099 -0.3330 -0.3207 -0.2922 -0.2749 0.2657 0.2671 1.4085 1.4209 1.7401 1.7562 2.0862 2.1017 2.4326 2.4414 2.8094 2.8208 3.3320 3.3445 3.6454 3.6496 3.7006 3.7133 3.8749 3.8816 8.1168 8.1301 8.8176 8.8204 9.2244 9.2377 9.4305 9.4526 k = 0.5000 0.3886 0.4468 ( 4508 PWs) bands (ev): -7.7701 -7.7699 -7.7017 -7.7011 -7.2561 -7.2551 -7.2128 -7.2122 -3.3667 -3.3402 -3.3144 -3.2862 -2.7760 -2.7242 -2.6567 -2.6453 -2.6181 -2.6110 -0.3125 -0.3009 -0.2614 -0.2419 0.2788 0.2833 1.4169 1.4299 1.7479 1.7645 2.0836 2.0999 2.4053 2.4142 2.8027 2.8145 3.3187 3.3316 3.6304 3.6353 3.6909 3.7039 3.8571 3.8636 8.1418 8.1562 8.7589 8.7612 9.1544 9.1689 9.3927 9.4181 k = 0.5000 0.3886 0.4265 ( 4508 PWs) bands (ev): -7.7793 -7.7791 -7.7033 -7.7026 -7.2494 -7.2484 -7.2104 -7.2099 -3.3667 -3.3430 -3.3170 -3.2869 -2.7769 -2.7280 -2.6571 -2.6485 -2.6186 -2.6116 -0.2986 -0.2883 -0.2344 -0.2142 0.3000 0.3076 1.4271 1.4409 1.7564 1.7733 2.0806 2.0976 2.3817 2.3905 2.7978 2.8099 3.3047 3.3181 3.6146 3.6201 3.6823 3.6955 3.8399 3.8461 8.1617 8.1772 8.6960 8.6988 9.0777 9.0935 9.3576 9.3842 k = 0.5000 0.3886 0.4062 ( 4504 PWs) bands (ev): -7.7887 -7.7885 -7.7052 -7.7045 -7.2424 -7.2414 -7.2074 -7.2070 -3.3661 -3.3458 -3.3196 -3.2875 -2.7773 -2.7313 -2.6574 -2.6519 -2.6194 -2.6120 -0.2930 -0.2832 -0.2108 -0.1916 0.3299 0.3402 1.4393 1.4538 1.7655 1.7826 2.0772 2.0951 2.3622 2.3708 2.7947 2.8069 3.2902 3.3039 3.5979 3.6039 3.6748 3.6881 3.8235 3.8294 8.1756 8.1923 8.6309 8.6346 8.9985 9.0151 9.3246 9.3505 k = 0.5000 0.3886 0.3859 ( 4508 PWs) bands (ev): -7.7982 -7.7980 -7.7076 -7.7068 -7.2351 -7.2341 -7.2040 -7.2036 -3.3650 -3.3486 -3.3222 -3.2880 -2.7772 -2.7340 -2.6577 -2.6552 -2.6204 -2.6120 -0.2969 -0.2857 -0.1900 -0.1731 0.3679 0.3802 1.4534 1.4686 1.7750 1.7920 2.0739 2.0924 2.3468 2.3553 2.7934 2.8055 3.2750 3.2890 3.5801 3.5867 3.6685 3.6817 3.8081 3.8136 8.1831 8.2010 8.5653 8.5701 8.9190 8.9360 9.2944 9.3184 k = 0.5000 0.3886 0.3656 ( 4500 PWs) bands (ev): -7.8077 -7.8075 -7.7105 -7.7095 -7.2276 -7.2265 -7.2000 -7.1997 -3.3634 -3.3513 -3.3248 -3.2883 -2.7768 -2.7361 -2.6595 -2.6571 -2.6213 -2.6119 -0.3096 -0.2957 -0.1718 -0.1572 0.4127 0.4263 1.4692 1.4851 1.7848 1.8014 2.0707 2.0897 2.3360 2.3445 2.7937 2.8057 3.2592 3.2735 3.5613 3.5685 3.6634 3.6765 3.7937 3.7987 8.1838 8.2027 8.5004 8.5062 8.8406 8.8577 9.2678 9.2895 k = 0.5000 0.3886 0.3453 ( 4496 PWs) bands (ev): -7.8171 -7.8170 -7.7136 -7.7127 -7.2199 -7.2189 -7.1957 -7.1953 -3.3615 -3.3537 -3.3274 -3.2885 -2.7761 -2.7375 -2.6629 -2.6572 -2.6224 -2.6117 -0.3294 -0.3127 -0.1559 -0.1435 0.4627 0.4769 1.4864 1.5030 1.7944 1.8103 2.0682 2.0875 2.3299 2.3387 2.7956 2.8072 3.2430 3.2575 3.5414 3.5493 3.6593 3.6723 3.7805 3.7848 8.1777 8.1976 8.4370 8.4437 8.7643 8.7810 9.2452 9.2645 k = 0.5000 0.3886 0.3250 ( 4498 PWs) bands (ev): -7.8264 -7.8263 -7.7172 -7.7161 -7.2122 -7.2111 -7.1910 -7.1905 -3.3600 -3.3550 -3.3299 -3.2886 -2.7755 -2.7379 -2.6664 -2.6570 -2.6235 -2.6115 -0.3545 -0.3357 -0.1423 -0.1316 0.5164 0.5306 1.5047 1.5216 1.8034 1.8181 2.0667 2.0861 2.3287 2.3382 2.7989 2.8101 3.2263 3.2409 3.5204 3.5291 3.6563 3.6691 3.7683 3.7720 8.1653 8.1859 8.3759 8.3835 8.6907 8.7067 9.2265 9.2433 k = 0.5000 0.3886 0.3047 ( 4506 PWs) bands (ev): -7.8355 -7.8354 -7.7209 -7.7199 -7.2045 -7.2033 -7.1860 -7.1855 -3.3607 -3.3539 -3.3323 -3.2887 -2.7749 -2.7374 -2.6698 -2.6567 -2.6246 -2.6112 -0.3835 -0.3633 -0.1311 -0.1217 0.5723 0.5863 1.5235 1.5406 1.8111 1.8242 2.0667 2.0858 2.3330 2.3434 2.8035 2.8142 3.2092 3.2239 3.4982 3.5077 3.6542 3.6670 3.7571 3.7603 8.1473 8.1685 8.3177 8.3259 8.6200 8.6351 9.2105 9.2251 k = 0.5000 0.3886 0.2844 ( 4506 PWs) bands (ev): -7.8443 -7.8443 -7.7249 -7.7238 -7.1968 -7.1956 -7.1808 -7.1803 -3.3625 -3.3511 -3.3346 -3.2887 -2.7744 -2.7361 -2.6730 -2.6563 -2.6257 -2.6109 -0.4151 -0.3941 -0.1222 -0.1137 0.6295 0.6431 1.5423 1.5592 1.8168 1.8278 2.0686 2.0869 2.3432 2.3547 2.8093 2.8195 3.1918 3.2065 3.4748 3.4853 3.6530 3.6657 3.7470 3.7495 8.1249 8.1464 8.2629 8.2715 8.5527 8.5666 9.1959 9.2087 k = 0.5000 0.3886 0.2640 ( 4494 PWs) bands (ev): -7.8528 -7.8527 -7.7290 -7.7279 -7.1892 -7.1881 -7.1755 -7.1749 -3.3643 -3.3482 -3.3364 -3.2886 -2.7740 -2.7342 -2.6757 -2.6557 -2.6268 -2.6108 -0.4483 -0.4270 -0.1152 -0.1075 0.6871 0.7002 1.5605 1.5770 1.8197 1.8283 2.0723 2.0896 2.3597 2.3724 2.8162 2.8257 3.1742 3.1888 3.4502 3.4615 3.6525 3.6652 3.7379 3.7398 8.0992 8.1209 8.2117 8.2206 8.4890 8.5016 9.1803 9.1918 k = 0.5000 0.3886 0.2437 ( 4494 PWs) bands (ev): -7.8609 -7.8608 -7.7331 -7.7321 -7.1819 -7.1807 -7.1701 -7.1696 -3.3660 -3.3461 -3.3371 -3.2886 -2.7735 -2.7320 -2.6779 -2.6550 -2.6279 -2.6107 -0.4821 -0.4610 -0.1102 -0.1031 0.7446 0.7570 1.5777 1.5935 1.8193 1.8254 2.0779 2.0938 2.3827 2.3967 2.8239 2.8329 3.1565 3.1710 3.4242 3.4365 3.6527 3.6653 3.7296 3.7311 8.0715 8.0931 8.1646 8.1735 8.4289 8.4401 9.1609 9.1720 k = 0.5000 0.3886 0.2234 ( 4494 PWs) bands (ev): -7.8686 -7.8685 -7.7372 -7.7362 -7.1748 -7.1736 -7.1649 -7.1643 -3.3675 -3.3460 -3.3355 -3.2885 -2.7730 -2.7300 -2.6793 -2.6542 -2.6291 -2.6107 -0.5159 -0.4952 -0.1068 -0.1002 0.8013 0.8132 1.5937 1.6085 1.8154 1.8191 2.0848 2.0992 2.4124 2.4275 2.8325 2.8409 3.1388 3.1531 3.3969 3.4101 3.6534 3.6660 3.7220 3.7234 8.0430 8.0646 8.1215 8.1304 8.3727 8.3824 9.1348 9.1465 k = 0.5000 0.3886 0.2031 ( 4498 PWs) bands (ev): -7.8757 -7.8756 -7.7412 -7.7403 -7.1680 -7.1668 -7.1597 -7.1592 -3.3688 -3.3475 -3.3323 -3.2886 -2.7723 -2.7285 -2.6795 -2.6532 -2.6303 -2.6109 -0.5489 -0.5290 -0.1048 -0.0988 0.8568 0.8681 1.6082 1.6219 1.8080 1.8095 2.0926 2.1053 2.4484 2.4643 2.8418 2.8497 3.1212 3.1353 3.3680 3.3820 3.6544 3.6669 3.7151 3.7167 8.0150 8.0363 8.0827 8.0913 8.3204 8.3287 9.1003 9.1134 k = 0.5000 0.3886 0.1828 ( 4502 PWs) bands (ev): -7.8823 -7.8822 -7.7451 -7.7442 -7.1616 -7.1604 -7.1548 -7.1543 -3.3697 -3.3495 -3.3284 -3.2887 -2.7713 -2.7278 -2.6785 -2.6522 -2.6315 -2.6114 -0.5804 -0.5617 -0.1039 -0.0984 0.9106 0.9214 1.6211 1.6335 1.7970 1.7975 2.1006 2.1119 2.4901 2.5066 2.8517 2.8592 3.1037 3.1175 3.3374 3.3523 3.6556 3.6681 3.7089 3.7110 7.9885 8.0095 8.0480 8.0561 8.2721 8.2790 9.0580 9.0727 k = 0.5000 0.3886 0.1625 ( 4506 PWs) bands (ev): -7.8883 -7.8882 -7.7487 -7.7479 -7.1556 -7.1546 -7.1502 -7.1498 -3.3704 -3.3516 -3.3244 -3.2889 -2.7701 -2.7282 -2.6761 -2.6511 -2.6327 -2.6120 -0.6100 -0.5927 -0.1039 -0.0990 0.9624 0.9726 1.6324 1.6435 1.7823 1.7842 2.1086 2.1183 2.5366 2.5535 2.8622 2.8693 3.0864 3.0999 3.3051 3.3207 3.6568 3.6691 3.7035 3.7061 7.9646 7.9850 8.0173 8.0249 8.2279 8.2334 9.0106 9.0263 k = 0.5000 0.3886 0.1422 ( 4504 PWs) bands (ev): -7.8937 -7.8936 -7.7520 -7.7512 -7.1502 -7.1492 -7.1460 -7.1456 -3.3708 -3.3538 -3.3203 -3.2892 -2.7685 -2.7296 -2.6727 -2.6498 -2.6339 -2.6130 -0.6371 -0.6214 -0.1045 -0.1001 1.0117 1.0212 1.6422 1.6519 1.7658 1.7688 2.1161 2.1245 2.5869 2.6041 2.8731 2.8801 3.0694 3.0826 3.2708 3.2870 3.6580 3.6699 3.6989 3.7021 7.9437 7.9633 7.9906 7.9975 8.1878 8.1921 8.9611 8.9773 k = 0.5000 0.3886 0.1219 ( 4504 PWs) bands (ev): -7.8984 -7.8984 -7.7550 -7.7543 -7.1454 -7.1445 -7.1422 -7.1419 -3.3710 -3.3560 -3.3164 -3.2897 -2.7667 -2.7317 -2.6685 -2.6484 -2.6351 -2.6143 -0.6613 -0.6475 -0.1055 -0.1017 1.0578 1.0666 1.6505 1.6588 1.7482 1.7519 2.1231 2.1302 2.6398 2.6573 2.8844 2.8915 3.0528 3.0655 3.2344 3.2512 3.6591 3.6702 3.6955 3.6989 7.9265 7.9446 7.9679 7.9741 8.1519 8.1552 8.9126 8.9284 k = 0.5000 0.3886 0.1016 ( 4500 PWs) bands (ev): -7.9025 -7.9024 -7.7575 -7.7570 -7.1412 -7.1404 -7.1389 -7.1386 -3.3709 -3.3580 -3.3127 -3.2904 -2.7646 -2.7344 -2.6640 -2.6469 -2.6362 -2.6160 -0.6823 -0.6705 -0.1066 -0.1034 1.1001 1.1080 1.6575 1.6644 1.7302 1.7343 2.1293 2.1351 2.6945 2.7122 2.8962 2.9034 3.0365 3.0488 3.1958 3.2131 3.6599 3.6699 3.6931 3.6964 7.9129 7.9291 7.9494 7.9545 8.1205 8.1228 8.8678 8.8824 k = 0.5000 0.3886 0.0812 ( 4504 PWs) bands (ev): -7.9058 -7.9058 -7.7597 -7.7593 -7.1377 -7.1370 -7.1362 -7.1359 -3.3705 -3.3601 -3.3091 -3.2914 -2.7622 -2.7374 -2.6596 -2.6455 -2.6369 -2.6180 -0.6996 -0.6900 -0.1077 -0.1051 1.1377 1.1445 1.6632 1.6688 1.7129 1.7170 2.1346 2.1393 2.7500 2.7679 2.9083 2.9158 3.0207 3.0325 3.1549 3.1725 3.6605 3.6689 3.6918 3.6947 7.9028 7.9163 7.9351 7.9388 8.0938 8.0952 8.8286 8.8414 k = 0.5000 0.3886 0.0609 ( 4504 PWs) bands (ev): -7.9084 -7.9084 -7.7614 -7.7611 -7.1349 -7.1344 -7.1340 -7.1337 -3.3699 -3.3619 -3.3059 -3.2926 -2.7595 -2.7406 -2.6555 -2.6445 -2.6369 -2.6205 -0.7131 -0.7058 -0.1087 -0.1067 1.1694 1.1750 1.6676 1.6719 1.6973 1.7011 2.1390 2.1425 2.8055 2.8236 2.9208 2.9287 3.0053 3.0166 3.1117 3.1295 3.6610 3.6675 3.6912 3.6934 7.8960 7.9061 7.9250 7.9272 8.0721 8.0729 8.7969 8.8071 k = 0.5000 0.3886 0.0406 ( 4500 PWs) bands (ev): -7.9103 -7.9103 -7.7626 -7.7624 -7.1329 -7.1325 -7.1324 -7.1322 -3.3691 -3.3637 -3.3029 -3.2940 -2.7567 -2.7439 -2.6521 -2.6445 -2.6355 -2.6233 -0.7226 -0.7176 -0.1093 -0.1081 1.1940 1.1979 1.6708 1.6740 1.6849 1.6881 2.1423 2.1446 2.8603 2.8786 2.9336 2.9419 2.9905 3.0011 3.0662 3.0840 3.6616 3.6659 3.6912 3.6926 7.8918 7.8983 7.9184 7.9194 8.0558 8.0562 8.7739 8.7811 k = 0.5000 0.3886 0.0203 ( 4496 PWs) bands (ev): -7.9114 -7.9114 -7.7633 -7.7632 -7.1316 -7.1315 -7.1313 -7.1312 -3.3680 -3.3653 -3.3002 -3.2958 -2.7536 -2.7472 -2.6493 -2.6455 -2.6329 -2.6264 -0.7278 -0.7253 -0.1097 -0.1090 1.2099 1.2120 1.6728 1.6749 1.6771 1.6794 2.1446 2.1458 2.9136 2.9319 2.9468 2.9549 2.9767 2.9862 3.0191 3.0363 3.6623 3.6645 3.6913 3.6921 7.8899 7.8931 7.9148 7.9152 8.0457 8.0459 8.7606 8.7643 k = 0.5000 0.3886 0.0000 ( 4488 PWs) bands (ev): -7.9118 -7.9118 -7.7635 -7.7635 -7.1312 -7.1312 -7.1309 -7.1309 -3.3667 -3.3667 -3.2978 -3.2978 -2.7504 -2.7504 -2.6471 -2.6471 -2.6297 -2.6297 -0.7287 -0.7287 -0.1096 -0.1096 1.2161 1.2161 1.6735 1.6735 1.6762 1.6762 2.1457 2.1457 2.9577 2.9577 2.9620 2.9620 2.9750 2.9750 2.9896 2.9896 3.6632 3.6632 3.6917 3.6917 7.8903 7.8903 7.9137 7.9137 8.0424 8.0424 8.7573 8.7573 k = 0.0000 0.0000 0.8148 ( 4478 PWs) bands (ev): -7.7281 -7.7281 -7.6701 -7.6701 -7.3030 -7.3030 -7.2043 -7.2043 -3.3069 -3.3069 -3.2891 -3.2891 -2.6789 -2.6789 -2.6410 -2.6410 -2.5930 -2.5930 -0.8937 -0.8937 -0.6249 -0.6249 0.2995 0.2995 1.3819 1.3819 1.6944 1.6944 2.0868 2.0868 2.9461 2.9461 2.9860 2.9860 3.4657 3.4657 3.7779 3.7779 3.8666 3.8666 4.0879 4.0879 7.6596 7.6596 8.8431 8.8431 9.1641 9.1641 9.9399 9.9399 k = 0.0156 0.0121 0.8148 ( 4474 PWs) bands (ev): -7.7281 -7.7280 -7.6701 -7.6701 -7.3031 -7.3030 -7.2043 -7.2042 -3.3080 -3.3058 -3.2893 -3.2889 -2.6804 -2.6774 -2.6411 -2.6407 -2.5936 -2.5927 -0.8924 -0.8920 -0.6244 -0.6241 0.2949 0.2955 1.3762 1.3775 1.6987 1.6997 2.0918 2.0940 2.9449 2.9452 2.9857 2.9867 3.4653 3.4657 3.7776 3.7780 3.8642 3.8650 4.0865 4.0865 7.6620 7.6620 8.8444 8.8445 9.1627 9.1628 9.9404 9.9409 k = 0.0312 0.0243 0.8148 ( 4482 PWs) bands (ev): -7.7280 -7.7280 -7.6701 -7.6701 -7.3032 -7.3031 -7.2044 -7.2042 -3.3091 -3.3047 -3.2896 -3.2886 -2.6819 -2.6761 -2.6412 -2.6404 -2.5944 -2.5926 -0.8881 -0.8872 -0.6227 -0.6222 0.2819 0.2832 1.3612 1.3637 1.7123 1.7143 2.1084 2.1128 2.9415 2.9421 2.9859 2.9880 3.4646 3.4654 3.7771 3.7780 3.8577 3.8595 4.0822 4.0822 7.6690 7.6690 8.8483 8.8486 9.1586 9.1587 9.9423 9.9432 k = 0.0469 0.0364 0.8148 ( 4482 PWs) bands (ev): -7.7280 -7.7279 -7.6701 -7.6701 -7.3033 -7.3032 -7.2044 -7.2042 -3.3101 -3.3035 -3.2899 -3.2885 -2.6835 -2.6747 -2.6413 -2.6399 -2.5954 -2.5927 -0.8808 -0.8795 -0.6199 -0.6192 0.2613 0.2632 1.3384 1.3419 1.7345 1.7375 2.1350 2.1413 2.9359 2.9367 2.9867 2.9898 3.4636 3.4649 3.7765 3.7777 3.8475 3.8503 4.0753 4.0753 7.6805 7.6805 8.8547 8.8552 9.1516 9.1519 9.9454 9.9468 k = 0.0625 0.0486 0.8148 ( 4468 PWs) bands (ev): -7.7278 -7.7277 -7.6700 -7.6700 -7.3035 -7.3034 -7.2045 -7.2042 -3.3110 -3.3024 -3.2902 -3.2883 -2.6851 -2.6735 -2.6413 -2.6393 -2.5966 -2.5930 -0.8706 -0.8689 -0.6161 -0.6151 0.2340 0.2364 1.3100 1.3143 1.7644 1.7684 2.1694 2.1775 2.9281 2.9291 2.9880 2.9923 3.4621 3.4641 3.7755 3.7771 3.8338 3.8376 4.0660 4.0661 7.6962 7.6962 8.8635 8.8641 9.1417 9.1421 9.9495 9.9514 k = 0.0781 0.0607 0.8148 ( 4476 PWs) bands (ev): -7.7277 -7.7276 -7.6700 -7.6700 -7.3038 -7.3035 -7.2046 -7.2042 -3.3119 -3.3012 -3.2905 -3.2881 -2.6867 -2.6723 -2.6413 -2.6386 -2.5981 -2.5935 -0.8577 -0.8556 -0.6113 -0.6101 0.2013 0.2041 1.2779 1.2829 1.8007 1.8057 2.2095 2.2191 2.9180 2.9192 2.9898 2.9954 3.4602 3.4632 3.7740 3.7756 3.8173 3.8221 4.0546 4.0549 7.7157 7.7157 8.8743 8.8750 9.1288 9.1293 9.9543 9.9568 k = 0.0938 0.0729 0.8148 ( 4464 PWs) bands (ev): -7.7275 -7.7274 -7.6700 -7.6700 -7.3041 -7.3038 -7.2047 -7.2042 -3.3126 -3.3001 -3.2908 -3.2880 -2.6883 -2.6711 -2.6412 -2.6378 -2.5997 -2.5941 -0.8423 -0.8397 -0.6058 -0.6043 0.1644 0.1675 1.2441 1.2495 1.8420 1.8480 2.2531 2.2643 2.9055 2.9070 2.9924 2.9993 3.4577 3.4621 3.7712 3.7715 3.8002 3.8050 4.0418 4.0421 7.7385 7.7385 8.8868 8.8877 9.1128 9.1135 9.9596 9.9626 k = 0.1094 0.0850 0.8148 ( 4460 PWs) bands (ev): -7.7274 -7.7272 -7.6699 -7.6699 -7.3043 -7.3040 -7.2048 -7.2043 -3.3134 -3.2991 -3.2911 -3.2879 -2.6899 -2.6700 -2.6412 -2.6368 -2.6015 -2.5948 -0.8245 -0.8216 -0.5997 -0.5980 0.1245 0.1279 1.2098 1.2156 1.8870 1.8940 2.2985 2.3112 2.8908 2.8927 2.9956 3.0038 3.4546 3.4609 3.7594 3.7639 3.7885 3.7899 4.0278 4.0283 7.7640 7.7640 8.9006 8.9017 9.0940 9.0949 9.9648 9.9684 k = 0.1250 0.0972 0.8148 ( 4472 PWs) bands (ev): -7.7272 -7.7270 -7.6699 -7.6699 -7.3046 -7.3043 -7.2049 -7.2043 -3.3140 -3.2981 -3.2914 -3.2878 -2.6914 -2.6690 -2.6412 -2.6356 -2.6035 -2.5956 -0.8048 -0.8016 -0.5933 -0.5914 0.0830 0.0865 1.1764 1.1825 1.9343 1.9423 2.3440 2.3583 2.8739 2.8762 2.9996 3.0092 3.4509 3.4596 3.7378 3.7479 3.7819 3.7840 4.0134 4.0141 7.7914 7.7914 8.9153 8.9165 9.0726 9.0737 9.9695 9.9738 k = 0.1406 0.1093 0.8148 ( 4480 PWs) bands (ev): -7.7270 -7.7268 -7.6698 -7.6698 -7.3049 -7.3045 -7.2050 -7.2043 -3.3146 -3.2971 -3.2917 -3.2878 -2.6929 -2.6680 -2.6412 -2.6343 -2.6055 -2.5965 -0.7836 -0.7801 -0.5867 -0.5847 0.0409 0.0446 1.1449 1.1511 1.9824 1.9916 2.3884 2.4042 2.8551 2.8578 3.0045 3.0154 3.4464 3.4583 3.7122 3.7264 3.7786 3.7822 3.9990 4.0000 7.8198 7.8198 8.9302 8.9316 9.0493 9.0508 9.9736 9.9783 k = 0.1562 0.1214 0.8148 ( 4480 PWs) bands (ev): -7.7268 -7.7266 -7.6698 -7.6698 -7.3052 -7.3048 -7.2050 -7.2044 -3.3151 -3.2963 -3.2919 -3.2878 -2.6942 -2.6672 -2.6412 -2.6328 -2.6077 -2.5974 -0.7615 -0.7577 -0.5803 -0.5781 -0.0004 0.0034 1.1159 1.1223 2.0301 2.0403 2.4302 2.4476 2.8348 2.8381 3.0101 3.0223 3.4410 3.4570 3.6852 3.7036 3.7767 3.7812 3.9852 3.9866 7.8482 7.8482 8.9449 8.9463 9.0251 9.0269 9.9766 9.9817 k = 0.1719 0.1336 0.8148 ( 4478 PWs) bands (ev): -7.7266 -7.7264 -7.6698 -7.6697 -7.3055 -7.3050 -7.2051 -7.2044 -3.3155 -3.2955 -3.2922 -3.2878 -2.6953 -2.6664 -2.6412 -2.6312 -2.6099 -2.5982 -0.7393 -0.7353 -0.5744 -0.5720 -0.0396 -0.0358 1.0903 1.0969 2.0757 2.0871 2.4681 2.4871 2.8136 2.8175 3.0164 3.0299 3.4348 3.4557 3.6585 3.6817 3.7753 3.7806 3.9726 3.9743 7.8755 7.8756 8.9586 8.9596 9.0011 9.0037 9.9785 9.9840 k = 0.1875 0.1457 0.8148 ( 4466 PWs) bands (ev): -7.7265 -7.7262 -7.6697 -7.6697 -7.3057 -7.3052 -7.2052 -7.2044 -3.3159 -3.2949 -3.2923 -3.2878 -2.6963 -2.6657 -2.6412 -2.6295 -2.6122 -2.5989 -0.7179 -0.7137 -0.5691 -0.5665 -0.0754 -0.0716 1.0686 1.0752 2.1176 2.1303 2.5011 2.5214 2.7925 2.7971 3.0232 3.0377 3.4279 3.4545 3.6334 3.6619 3.7742 3.7800 3.9616 3.9636 7.9005 7.9006 8.9683 8.9700 8.9794 8.9852 9.9794 9.9852 k = 0.2031 0.1579 0.8148 ( 4462 PWs) bands (ev): -7.7264 -7.7261 -7.6697 -7.6697 -7.3059 -7.3054 -7.2052 -7.2045 -3.3161 -3.2944 -3.2925 -3.2878 -2.6971 -2.6652 -2.6412 -2.6276 -2.6145 -2.5995 -0.6987 -0.6944 -0.5647 -0.5620 -0.1061 -0.1023 1.0512 1.0579 2.1537 2.1676 2.5279 2.5493 2.7729 2.7783 3.0299 3.0452 3.4209 3.4535 3.6115 3.6455 3.7733 3.7796 3.9526 3.9550 7.9218 7.9220 8.9578 8.9581 8.9820 8.9866 9.9796 9.9855 k = 0.2188 0.1700 0.8148 ( 4466 PWs) bands (ev): -7.7263 -7.7260 -7.6697 -7.6697 -7.3060 -7.3055 -7.2053 -7.2045 -3.3163 -3.2940 -3.2926 -3.2878 -2.6977 -2.6648 -2.6413 -2.6257 -2.6167 -2.5999 -0.6833 -0.6788 -0.5614 -0.5585 -0.1299 -0.1262 1.0386 1.0453 2.1819 2.1970 2.5478 2.5699 2.7567 2.7627 3.0357 3.0516 3.4146 3.4526 3.5944 3.6332 3.7726 3.7793 3.9460 3.9486 7.9382 7.9384 8.9429 8.9437 8.9896 8.9934 9.9793 9.9854 k = 0.2344 0.1822 0.8148 ( 4456 PWs) bands (ev): -7.7262 -7.7259 -7.6697 -7.6696 -7.3061 -7.3056 -7.2053 -7.2045 -3.3164 -3.2938 -3.2927 -3.2878 -2.6980 -2.6645 -2.6413 -2.6237 -2.6189 -2.6002 -0.6731 -0.6686 -0.5594 -0.5564 -0.1451 -0.1415 1.0308 1.0376 2.2001 2.2160 2.5600 2.5824 2.7459 2.7522 3.0398 3.0559 3.4102 3.4520 3.5835 3.6257 3.7722 3.7791 3.9419 3.9447 7.9486 7.9487 8.9332 8.9343 8.9944 8.9981 9.9790 9.9851 k = 0.2500 0.1943 0.8148 ( 4448 PWs) bands (ev): -7.7262 -7.7259 -7.6697 -7.6696 -7.3061 -7.3056 -7.2053 -7.2045 -3.3165 -3.2937 -3.2927 -3.2878 -2.6981 -2.6644 -2.6413 -2.6223 -2.6203 -2.6003 -0.6696 -0.6651 -0.5587 -0.5557 -0.1504 -0.1468 1.0283 1.0350 2.2063 2.2225 2.5641 2.5867 2.7421 2.7485 3.0412 3.0574 3.4086 3.4518 3.5797 3.6232 3.7720 3.7791 3.9405 3.9434 7.9521 7.9523 8.9299 8.9310 8.9961 8.9997 9.9789 9.9850 Writing output data file Al2CdS4.save init_run : 4.83s CPU 13.19s WALL ( 1 calls) electrons : 1044.04s CPU 1053.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.68s CPU 1.96s WALL ( 1 calls) Called by electrons: c_bands : 1044.01s CPU 1053.60s WALL ( 1 calls) v_of_rho : 0.26s CPU 0.97s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.24s CPU 0.70s WALL ( 1 calls) newd : 1.55s CPU 1.69s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.17s WALL ( 285 calls) cegterg : 983.90s CPU 990.19s WALL ( 890 calls) Called by sum_band: Called by *egterg: h_psi : 574.74s CPU 585.93s WALL ( 15711 calls) s_psi : 60.66s CPU 61.06s WALL ( 15711 calls) g_psi : 0.71s CPU 0.72s WALL ( 14536 calls) cdiaghg : 272.72s CPU 269.71s WALL ( 14821 calls) cegterg:over : 55.89s CPU 52.09s WALL ( 14536 calls) cegterg:upda : 11.06s CPU 15.36s WALL ( 14536 calls) cegterg:last : 9.59s CPU 10.39s WALL ( 2164 calls) Called by h_psi: h_psi:vloc : 461.91s CPU 470.60s WALL ( 15711 calls) h_psi:vnl : 112.54s CPU 114.50s WALL ( 15711 calls) add_vuspsi : 43.92s CPU 49.15s WALL ( 15711 calls) General routines calbec : 68.53s CPU 65.15s WALL ( 15711 calls) fft : 0.59s CPU 1.70s WALL ( 19 calls) ffts : 0.01s CPU 0.27s WALL ( 4 calls) fftw : 389.31s CPU 390.44s WALL ( 1260200 calls) interpolate : 0.21s CPU 0.50s WALL ( 4 calls) davcio : 0.04s CPU 1.75s WALL ( 570 calls) Parallel routines fft_scatter : 224.39s CPU 221.71s WALL ( 1260223 calls) PWSCF : 18m16.72s CPU 19m33.64s WALL This run was terminated on: 23:57:20 27Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=