Program PWSCF v.5.1.1 starts on 10Jun2016 at 9:18:22 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: ./AlCuS2.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 52 41 11 1197 816 124 Max 53 42 12 1201 832 128 Sum 2543 1975 563 57595 39571 6067 bravais-lattice index = 14 lattice parameter (alat) = 11.9810 a.u. unit-cell volume = 937.0578 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.981045 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.666237 celldm(5)= -0.666237 celldm(6)= 0.332475 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.332475 0.943112 0.000000 ) a(3) = ( -0.666237 -0.471556 0.577722 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.352529 0.865468 ) b(2) = ( 0.000000 1.060319 0.865468 ) b(3) = ( 0.000000 0.000000 1.730936 ) 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 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 PseudoPot. # 3 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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) Al 3.00 26.98150 Al( 1.00) Cu 11.00 63.54600 Cu( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.1662373 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4715561 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.2888610 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 296 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 2) = ( 0.0000000 0.0000000 0.0201272), wk = 0.0033784 k( 3) = ( 0.0000000 0.0000000 0.0402543), wk = 0.0033784 k( 4) = ( 0.0000000 0.0000000 0.0603815), wk = 0.0033784 k( 5) = ( 0.0000000 0.0000000 0.0805087), wk = 0.0033784 k( 6) = ( 0.0000000 0.0000000 0.1006358), wk = 0.0033784 k( 7) = ( 0.0000000 0.0000000 0.1207630), wk = 0.0033784 k( 8) = ( 0.0000000 0.0000000 0.1408902), wk = 0.0033784 k( 9) = ( 0.0000000 0.0000000 0.1610173), wk = 0.0033784 k( 10) = ( 0.0000000 0.0000000 0.1811445), wk = 0.0033784 k( 11) = ( 0.0000000 0.0000000 0.2012717), wk = 0.0033784 k( 12) = ( 0.0000000 0.0000000 0.2213988), wk = 0.0033784 k( 13) = ( 0.0000000 0.0000000 0.2415260), wk = 0.0033784 k( 14) = ( 0.0000000 0.0000000 0.2616532), wk = 0.0033784 k( 15) = ( 0.0000000 0.0000000 0.2817804), wk = 0.0033784 k( 16) = ( 0.0000000 0.0000000 0.3019075), wk = 0.0033784 k( 17) = ( 0.0000000 0.0000000 0.3220347), wk = 0.0033784 k( 18) = ( 0.0000000 0.0000000 0.3421619), wk = 0.0033784 k( 19) = ( 0.0000000 0.0000000 0.3622890), wk = 0.0033784 k( 20) = ( 0.0000000 0.0000000 0.3824162), wk = 0.0033784 k( 21) = ( 0.0000000 0.0000000 0.4025434), wk = 0.0033784 k( 22) = ( 0.0000000 0.0000000 0.4226705), wk = 0.0033784 k( 23) = ( 0.0000000 0.0000000 0.4427977), wk = 0.0033784 k( 24) = ( 0.0000000 0.0000000 0.4629249), wk = 0.0033784 k( 25) = ( 0.0000000 0.0000000 0.4830520), wk = 0.0033784 k( 26) = ( 0.0000000 0.0000000 0.5031792), wk = 0.0033784 k( 27) = ( 0.0000000 0.0000000 0.5233064), wk = 0.0033784 k( 28) = ( 0.0000000 0.0000000 0.5434335), wk = 0.0033784 k( 29) = ( 0.0000000 0.0000000 0.5635607), wk = 0.0033784 k( 30) = ( 0.0000000 0.0000000 0.5836879), wk = 0.0033784 k( 31) = ( 0.0000000 0.0000000 0.6038150), wk = 0.0033784 k( 32) = ( 0.0000000 0.0000000 0.6239422), wk = 0.0033784 k( 33) = ( 0.0000000 0.0000000 0.6440694), wk = 0.0033784 k( 34) = ( 0.0000000 0.0000000 0.6641965), wk = 0.0033784 k( 35) = ( 0.0000000 0.0000000 0.6843237), wk = 0.0033784 k( 36) = ( 0.0000000 0.0000000 0.7044509), wk = 0.0033784 k( 37) = ( 0.0000000 0.0000000 0.7245780), wk = 0.0033784 k( 38) = ( 0.0000000 0.0000000 0.7447052), wk = 0.0033784 k( 39) = ( 0.0000000 0.0000000 0.7648324), wk = 0.0033784 k( 40) = ( 0.0000000 0.0000000 0.7849595), wk = 0.0033784 k( 41) = ( 0.0000000 0.0000000 0.8050867), wk = 0.0033784 k( 42) = ( 0.0000000 0.0000000 0.8252139), wk = 0.0033784 k( 43) = ( 0.0000000 0.0000000 0.8453410), wk = 0.0033784 k( 44) = ( 0.0000000 0.0000000 0.8654682), wk = 0.0033784 k( 45) = ( 0.0000000 0.0000000 0.8654682), wk = 0.0033784 k( 46) = ( -0.0113856 0.0160861 0.8654682), wk = 0.0033784 k( 47) = ( -0.0227712 0.0321723 0.8654682), wk = 0.0033784 k( 48) = ( -0.0341568 0.0482584 0.8654682), wk = 0.0033784 k( 49) = ( -0.0455424 0.0643445 0.8654682), wk = 0.0033784 k( 50) = ( -0.0569280 0.0804307 0.8654682), wk = 0.0033784 k( 51) = ( -0.0683136 0.0965168 0.8654682), wk = 0.0033784 k( 52) = ( -0.0796992 0.1126030 0.8654682), wk = 0.0033784 k( 53) = ( -0.0910848 0.1286891 0.8654682), wk = 0.0033784 k( 54) = ( -0.1024705 0.1447752 0.8654682), wk = 0.0033784 k( 55) = ( -0.1138561 0.1608614 0.8654682), wk = 0.0033784 k( 56) = ( -0.1252417 0.1769475 0.8654682), wk = 0.0033784 k( 57) = ( -0.1252417 0.1769475 0.8654682), wk = 0.0033784 k( 58) = ( -0.1333886 0.1884579 0.8513664), wk = 0.0033784 k( 59) = ( -0.1415355 0.1999682 0.8372646), wk = 0.0033784 k( 60) = ( -0.1496824 0.2114786 0.8231628), wk = 0.0033784 k( 61) = ( -0.1578293 0.2229889 0.8090610), wk = 0.0033784 k( 62) = ( -0.1659763 0.2344993 0.7949592), wk = 0.0033784 k( 63) = ( -0.1741232 0.2460097 0.7808574), wk = 0.0033784 k( 64) = ( -0.1822701 0.2575200 0.7667556), wk = 0.0033784 k( 65) = ( -0.1904170 0.2690304 0.7526538), wk = 0.0033784 k( 66) = ( -0.1985639 0.2805408 0.7385520), wk = 0.0033784 k( 67) = ( -0.2067109 0.2920511 0.7244502), wk = 0.0033784 k( 68) = ( -0.2148578 0.3035615 0.7103484), wk = 0.0033784 k( 69) = ( -0.2230047 0.3150719 0.6962466), wk = 0.0033784 k( 70) = ( -0.2311516 0.3265822 0.6821448), wk = 0.0033784 k( 71) = ( -0.2392985 0.3380926 0.6680430), wk = 0.0033784 k( 72) = ( -0.2474455 0.3496030 0.6539412), wk = 0.0033784 k( 73) = ( -0.2555924 0.3611133 0.6398394), wk = 0.0033784 k( 74) = ( -0.2637393 0.3726237 0.6257376), wk = 0.0033784 k( 75) = ( -0.2718862 0.3841340 0.6116358), wk = 0.0033784 k( 76) = ( -0.2800332 0.3956444 0.5975340), wk = 0.0033784 k( 77) = ( -0.2881801 0.4071548 0.5834322), wk = 0.0033784 k( 78) = ( -0.2963270 0.4186651 0.5693304), wk = 0.0033784 k( 79) = ( -0.3044739 0.4301755 0.5552286), wk = 0.0033784 k( 80) = ( -0.3126208 0.4416859 0.5411268), wk = 0.0033784 k( 81) = ( -0.3126208 0.4416859 0.5411268), wk = 0.0033784 k( 82) = ( -0.3043940 0.4300626 0.5268866), wk = 0.0033784 k( 83) = ( -0.2961671 0.4184392 0.5126464), wk = 0.0033784 k( 84) = ( -0.2879402 0.4068159 0.4984062), wk = 0.0033784 k( 85) = ( -0.2797134 0.3951926 0.4841661), wk = 0.0033784 k( 86) = ( -0.2714865 0.3835693 0.4699259), wk = 0.0033784 k( 87) = ( -0.2632597 0.3719460 0.4556857), wk = 0.0033784 k( 88) = ( -0.2550328 0.3603227 0.4414455), wk = 0.0033784 k( 89) = ( -0.2468059 0.3486994 0.4272054), wk = 0.0033784 k( 90) = ( -0.2385791 0.3370761 0.4129652), wk = 0.0033784 k( 91) = ( -0.2303522 0.3254527 0.3987250), wk = 0.0033784 k( 92) = ( -0.2221253 0.3138294 0.3844848), wk = 0.0033784 k( 93) = ( -0.2138985 0.3022061 0.3702446), wk = 0.0033784 k( 94) = ( -0.2056716 0.2905828 0.3560045), wk = 0.0033784 k( 95) = ( -0.1974447 0.2789595 0.3417643), wk = 0.0033784 k( 96) = ( -0.1892179 0.2673362 0.3275241), wk = 0.0033784 k( 97) = ( -0.1809910 0.2557129 0.3132839), wk = 0.0033784 k( 98) = ( -0.1727641 0.2440896 0.2990437), wk = 0.0033784 k( 99) = ( -0.1645373 0.2324662 0.2848036), wk = 0.0033784 k( 100) = ( -0.1563104 0.2208429 0.2705634), wk = 0.0033784 k( 101) = ( -0.1480836 0.2092196 0.2563232), wk = 0.0033784 k( 102) = ( -0.1398567 0.1975963 0.2420830), wk = 0.0033784 k( 103) = ( -0.1316298 0.1859730 0.2278428), wk = 0.0033784 k( 104) = ( -0.1234030 0.1743497 0.2136027), wk = 0.0033784 k( 105) = ( -0.1151761 0.1627264 0.1993625), wk = 0.0033784 k( 106) = ( -0.1069492 0.1511031 0.1851223), wk = 0.0033784 k( 107) = ( -0.0987224 0.1394798 0.1708821), wk = 0.0033784 k( 108) = ( -0.0904955 0.1278564 0.1566420), wk = 0.0033784 k( 109) = ( -0.0822686 0.1162331 0.1424018), wk = 0.0033784 k( 110) = ( -0.0740418 0.1046098 0.1281616), wk = 0.0033784 k( 111) = ( -0.0658149 0.0929865 0.1139214), wk = 0.0033784 k( 112) = ( -0.0575881 0.0813632 0.0996813), wk = 0.0033784 k( 113) = ( -0.0493612 0.0697399 0.0854411), wk = 0.0033784 k( 114) = ( -0.0411343 0.0581166 0.0712009), wk = 0.0033784 k( 115) = ( -0.0329075 0.0464933 0.0569607), wk = 0.0033784 k( 116) = ( -0.0246806 0.0348699 0.0427205), wk = 0.0033784 k( 117) = ( -0.0164537 0.0232466 0.0284804), wk = 0.0033784 k( 118) = ( -0.0082269 0.0116233 0.0142402), wk = 0.0033784 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 121) = ( 0.0161290 0.0114160 -0.0000000), wk = 0.0033784 k( 122) = ( 0.0322581 0.0228319 -0.0000000), wk = 0.0033784 k( 123) = ( 0.0483871 0.0342479 -0.0000000), wk = 0.0033784 k( 124) = ( 0.0645161 0.0456639 -0.0000000), wk = 0.0033784 k( 125) = ( 0.0806452 0.0570798 -0.0000000), wk = 0.0033784 k( 126) = ( 0.0967742 0.0684958 -0.0000000), wk = 0.0033784 k( 127) = ( 0.1129032 0.0799118 -0.0000000), wk = 0.0033784 k( 128) = ( 0.1290323 0.0913277 -0.0000000), wk = 0.0033784 k( 129) = ( 0.1451613 0.1027437 -0.0000000), wk = 0.0033784 k( 130) = ( 0.1612903 0.1141597 -0.0000000), wk = 0.0033784 k( 131) = ( 0.1774194 0.1255756 -0.0000000), wk = 0.0033784 k( 132) = ( 0.1935484 0.1369916 -0.0000000), wk = 0.0033784 k( 133) = ( 0.2096774 0.1484076 -0.0000000), wk = 0.0033784 k( 134) = ( 0.2258064 0.1598235 -0.0000000), wk = 0.0033784 k( 135) = ( 0.2419355 0.1712395 -0.0000000), wk = 0.0033784 k( 136) = ( 0.2580645 0.1826555 -0.0000000), wk = 0.0033784 k( 137) = ( 0.2741936 0.1940714 -0.0000000), wk = 0.0033784 k( 138) = ( 0.2903226 0.2054874 -0.0000000), wk = 0.0033784 k( 139) = ( 0.3064516 0.2169034 -0.0000000), wk = 0.0033784 k( 140) = ( 0.3225807 0.2283194 -0.0000000), wk = 0.0033784 k( 141) = ( 0.3387097 0.2397353 -0.0000000), wk = 0.0033784 k( 142) = ( 0.3548387 0.2511513 -0.0000000), wk = 0.0033784 k( 143) = ( 0.3709677 0.2625672 -0.0000000), wk = 0.0033784 k( 144) = ( 0.3870968 0.2739832 -0.0000000), wk = 0.0033784 k( 145) = ( 0.4032258 0.2853992 -0.0000000), wk = 0.0033784 k( 146) = ( 0.4193548 0.2968152 -0.0000000), wk = 0.0033784 k( 147) = ( 0.4354839 0.3082311 -0.0000000), wk = 0.0033784 k( 148) = ( 0.4516129 0.3196471 -0.0000000), wk = 0.0033784 k( 149) = ( 0.4677419 0.3310631 -0.0000000), wk = 0.0033784 k( 150) = ( 0.4838710 0.3424790 -0.0000000), wk = 0.0033784 k( 151) = ( 0.5000000 0.3538950 -0.0000000), wk = 0.0033784 k( 152) = ( 0.5000000 0.3538950 -0.0000000), wk = 0.0033784 k( 153) = ( 0.4918531 0.3654054 0.0141018), wk = 0.0033784 k( 154) = ( 0.4837062 0.3769157 0.0282036), wk = 0.0033784 k( 155) = ( 0.4755592 0.3884261 0.0423054), wk = 0.0033784 k( 156) = ( 0.4674123 0.3999364 0.0564072), wk = 0.0033784 k( 157) = ( 0.4592654 0.4114468 0.0705090), wk = 0.0033784 k( 158) = ( 0.4511185 0.4229572 0.0846108), wk = 0.0033784 k( 159) = ( 0.4429716 0.4344675 0.0987126), wk = 0.0033784 k( 160) = ( 0.4348246 0.4459779 0.1128144), wk = 0.0033784 k( 161) = ( 0.4266777 0.4574883 0.1269162), wk = 0.0033784 k( 162) = ( 0.4185308 0.4689986 0.1410180), wk = 0.0033784 k( 163) = ( 0.4103839 0.4805090 0.1551198), wk = 0.0033784 k( 164) = ( 0.4022370 0.4920194 0.1692216), wk = 0.0033784 k( 165) = ( 0.3940900 0.5035297 0.1833234), wk = 0.0033784 k( 166) = ( 0.3859431 0.5150401 0.1974252), wk = 0.0033784 k( 167) = ( 0.3777962 0.5265505 0.2115270), wk = 0.0033784 k( 168) = ( 0.3696493 0.5380608 0.2256288), wk = 0.0033784 k( 169) = ( 0.3615023 0.5495712 0.2397306), wk = 0.0033784 k( 170) = ( 0.3533554 0.5610815 0.2538324), wk = 0.0033784 k( 171) = ( 0.3452085 0.5725919 0.2679342), wk = 0.0033784 k( 172) = ( 0.3370616 0.5841023 0.2820360), wk = 0.0033784 k( 173) = ( 0.3289147 0.5956126 0.2961378), wk = 0.0033784 k( 174) = ( 0.3207678 0.6071230 0.3102396), wk = 0.0033784 k( 175) = ( 0.3126208 0.6186334 0.3243414), wk = 0.0033784 k( 176) = ( 0.3126208 0.6186334 0.3243414), wk = 0.0033784 k( 177) = ( 0.2942314 0.6134290 0.3307175), wk = 0.0033784 k( 178) = ( 0.2758419 0.6082247 0.3370935), wk = 0.0033784 k( 179) = ( 0.2574524 0.6030204 0.3434695), wk = 0.0033784 k( 180) = ( 0.2390630 0.5978160 0.3498456), wk = 0.0033784 k( 181) = ( 0.2206735 0.5926117 0.3562216), wk = 0.0033784 k( 182) = ( 0.2022841 0.5874073 0.3625977), wk = 0.0033784 k( 183) = ( 0.1838946 0.5822030 0.3689737), wk = 0.0033784 k( 184) = ( 0.1655051 0.5769987 0.3753497), wk = 0.0033784 k( 185) = ( 0.1471157 0.5717943 0.3817258), wk = 0.0033784 k( 186) = ( 0.1287262 0.5665900 0.3881018), wk = 0.0033784 k( 187) = ( 0.1103368 0.5613856 0.3944779), wk = 0.0033784 k( 188) = ( 0.0919473 0.5561813 0.4008539), wk = 0.0033784 k( 189) = ( 0.0735578 0.5509770 0.4072299), wk = 0.0033784 k( 190) = ( 0.0551684 0.5457726 0.4136060), wk = 0.0033784 k( 191) = ( 0.0367789 0.5405683 0.4199820), wk = 0.0033784 k( 192) = ( 0.0183895 0.5353640 0.4263581), wk = 0.0033784 k( 193) = ( 0.0000000 0.5301596 0.4327341), wk = 0.0033784 k( 194) = ( 0.0000000 0.5301596 0.4327341), wk = 0.0033784 k( 195) = ( 0.0080645 0.5187657 0.4466933), wk = 0.0033784 k( 196) = ( 0.0161290 0.5073717 0.4606524), wk = 0.0033784 k( 197) = ( 0.0241936 0.4959778 0.4746116), wk = 0.0033784 k( 198) = ( 0.0322581 0.4845839 0.4885708), wk = 0.0033784 k( 199) = ( 0.0403226 0.4731899 0.5025299), wk = 0.0033784 k( 200) = ( 0.0483871 0.4617960 0.5164891), wk = 0.0033784 k( 201) = ( 0.0564516 0.4504020 0.5304483), wk = 0.0033784 k( 202) = ( 0.0645161 0.4390081 0.5444074), wk = 0.0033784 k( 203) = ( 0.0725806 0.4276142 0.5583666), wk = 0.0033784 k( 204) = ( 0.0806452 0.4162202 0.5723257), wk = 0.0033784 k( 205) = ( 0.0887097 0.4048263 0.5862849), wk = 0.0033784 k( 206) = ( 0.0967742 0.3934323 0.6002441), wk = 0.0033784 k( 207) = ( 0.1048387 0.3820384 0.6142032), wk = 0.0033784 k( 208) = ( 0.1129032 0.3706445 0.6281624), wk = 0.0033784 k( 209) = ( 0.1209677 0.3592505 0.6421216), wk = 0.0033784 k( 210) = ( 0.1290323 0.3478566 0.6560807), wk = 0.0033784 k( 211) = ( 0.1370968 0.3364627 0.6700399), wk = 0.0033784 k( 212) = ( 0.1451613 0.3250687 0.6839991), wk = 0.0033784 k( 213) = ( 0.1532258 0.3136748 0.6979582), wk = 0.0033784 k( 214) = ( 0.1612903 0.3022808 0.7119174), wk = 0.0033784 k( 215) = ( 0.1693548 0.2908869 0.7258766), wk = 0.0033784 k( 216) = ( 0.1774194 0.2794930 0.7398357), wk = 0.0033784 k( 217) = ( 0.1854839 0.2680990 0.7537949), wk = 0.0033784 k( 218) = ( 0.1935484 0.2567051 0.7677541), wk = 0.0033784 k( 219) = ( 0.2016129 0.2453111 0.7817132), wk = 0.0033784 k( 220) = ( 0.2096774 0.2339172 0.7956724), wk = 0.0033784 k( 221) = ( 0.2177419 0.2225232 0.8096316), wk = 0.0033784 k( 222) = ( 0.2258064 0.2111293 0.8235907), wk = 0.0033784 k( 223) = ( 0.2338710 0.1997354 0.8375499), wk = 0.0033784 k( 224) = ( 0.2419355 0.1883414 0.8515090), wk = 0.0033784 k( 225) = ( 0.2500000 0.1769475 0.8654682), wk = 0.0033784 k( 226) = ( 0.2500000 0.1769475 0.8654682), wk = 0.0033784 k( 227) = ( 0.2631579 0.1862605 0.8540584), wk = 0.0033784 k( 228) = ( 0.2763158 0.1955735 0.8426487), wk = 0.0033784 k( 229) = ( 0.2894737 0.2048866 0.8312389), wk = 0.0033784 k( 230) = ( 0.3026316 0.2141996 0.8198292), wk = 0.0033784 k( 231) = ( 0.3157895 0.2235126 0.8084194), wk = 0.0033784 k( 232) = ( 0.3289474 0.2328257 0.7970097), wk = 0.0033784 k( 233) = ( 0.3421053 0.2421387 0.7855999), wk = 0.0033784 k( 234) = ( 0.3552632 0.2514517 0.7741902), wk = 0.0033784 k( 235) = ( 0.3684211 0.2607647 0.7627804), wk = 0.0033784 k( 236) = ( 0.3815789 0.2700778 0.7513707), wk = 0.0033784 k( 237) = ( 0.3947368 0.2793908 0.7399609), wk = 0.0033784 k( 238) = ( 0.4078947 0.2887038 0.7285512), wk = 0.0033784 k( 239) = ( 0.4210526 0.2980168 0.7171414), wk = 0.0033784 k( 240) = ( 0.4342105 0.3073299 0.7057316), wk = 0.0033784 k( 241) = ( 0.4473684 0.3166429 0.6943219), wk = 0.0033784 k( 242) = ( 0.4605263 0.3259559 0.6829121), wk = 0.0033784 k( 243) = ( 0.4736842 0.3352689 0.6715024), wk = 0.0033784 k( 244) = ( 0.4868421 0.3445820 0.6600926), wk = 0.0033784 k( 245) = ( 0.5000000 0.3538950 0.6486829), wk = 0.0033784 k( 246) = ( 0.5000000 0.3538950 0.6486829), wk = 0.0033784 k( 247) = ( 0.5000000 0.3538950 0.6290258), wk = 0.0033784 k( 248) = ( 0.5000000 0.3538950 0.6093687), wk = 0.0033784 k( 249) = ( 0.5000000 0.3538950 0.5897117), wk = 0.0033784 k( 250) = ( 0.5000000 0.3538950 0.5700546), wk = 0.0033784 k( 251) = ( 0.5000000 0.3538950 0.5503976), wk = 0.0033784 k( 252) = ( 0.5000000 0.3538950 0.5307405), wk = 0.0033784 k( 253) = ( 0.5000000 0.3538950 0.5110835), wk = 0.0033784 k( 254) = ( 0.5000000 0.3538950 0.4914264), wk = 0.0033784 k( 255) = ( 0.5000000 0.3538950 0.4717693), wk = 0.0033784 k( 256) = ( 0.5000000 0.3538950 0.4521123), wk = 0.0033784 k( 257) = ( 0.5000000 0.3538950 0.4324552), wk = 0.0033784 k( 258) = ( 0.5000000 0.3538950 0.4127982), wk = 0.0033784 k( 259) = ( 0.5000000 0.3538950 0.3931411), wk = 0.0033784 k( 260) = ( 0.5000000 0.3538950 0.3734841), wk = 0.0033784 k( 261) = ( 0.5000000 0.3538950 0.3538270), wk = 0.0033784 k( 262) = ( 0.5000000 0.3538950 0.3341700), wk = 0.0033784 k( 263) = ( 0.5000000 0.3538950 0.3145129), wk = 0.0033784 k( 264) = ( 0.5000000 0.3538950 0.2948558), wk = 0.0033784 k( 265) = ( 0.5000000 0.3538950 0.2751988), wk = 0.0033784 k( 266) = ( 0.5000000 0.3538950 0.2555417), wk = 0.0033784 k( 267) = ( 0.5000000 0.3538950 0.2358847), wk = 0.0033784 k( 268) = ( 0.5000000 0.3538950 0.2162276), wk = 0.0033784 k( 269) = ( 0.5000000 0.3538950 0.1965706), wk = 0.0033784 k( 270) = ( 0.5000000 0.3538950 0.1769135), wk = 0.0033784 k( 271) = ( 0.5000000 0.3538950 0.1572565), wk = 0.0033784 k( 272) = ( 0.5000000 0.3538950 0.1375994), wk = 0.0033784 k( 273) = ( 0.5000000 0.3538950 0.1179423), wk = 0.0033784 k( 274) = ( 0.5000000 0.3538950 0.0982853), wk = 0.0033784 k( 275) = ( 0.5000000 0.3538950 0.0786282), wk = 0.0033784 k( 276) = ( 0.5000000 0.3538950 0.0589712), wk = 0.0033784 k( 277) = ( 0.5000000 0.3538950 0.0393141), wk = 0.0033784 k( 278) = ( 0.5000000 0.3538950 0.0196571), wk = 0.0033784 k( 279) = ( 0.5000000 0.3538950 -0.0000000), wk = 0.0033784 k( 280) = ( 0.0000000 0.0000000 0.8654682), wk = 0.0033784 k( 281) = ( 0.0156250 0.0110592 0.8654682), wk = 0.0033784 k( 282) = ( 0.0312500 0.0221184 0.8654682), wk = 0.0033784 k( 283) = ( 0.0468750 0.0331777 0.8654682), wk = 0.0033784 k( 284) = ( 0.0625000 0.0442369 0.8654682), wk = 0.0033784 k( 285) = ( 0.0781250 0.0552961 0.8654682), wk = 0.0033784 k( 286) = ( 0.0937500 0.0663553 0.8654682), wk = 0.0033784 k( 287) = ( 0.1093750 0.0774145 0.8654682), wk = 0.0033784 k( 288) = ( 0.1250000 0.0884737 0.8654682), wk = 0.0033784 k( 289) = ( 0.1406250 0.0995330 0.8654682), wk = 0.0033784 k( 290) = ( 0.1562500 0.1105922 0.8654682), wk = 0.0033784 k( 291) = ( 0.1718750 0.1216514 0.8654682), wk = 0.0033784 k( 292) = ( 0.1875000 0.1327106 0.8654682), wk = 0.0033784 k( 293) = ( 0.2031250 0.1437698 0.8654682), wk = 0.0033784 k( 294) = ( 0.2187500 0.1548291 0.8654682), wk = 0.0033784 k( 295) = ( 0.2343750 0.1658883 0.8654682), wk = 0.0033784 k( 296) = ( 0.2500000 0.1769475 0.8654682), wk = 0.0033784 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 2) = ( 0.0000000 0.0000000 0.0116279), wk = 0.0033784 k( 3) = ( 0.0000000 0.0000000 0.0232558), wk = 0.0033784 k( 4) = ( 0.0000000 0.0000000 0.0348837), wk = 0.0033784 k( 5) = ( 0.0000000 0.0000000 0.0465116), wk = 0.0033784 k( 6) = ( 0.0000000 0.0000000 0.0581395), wk = 0.0033784 k( 7) = ( 0.0000000 0.0000000 0.0697674), wk = 0.0033784 k( 8) = ( 0.0000000 0.0000000 0.0813954), wk = 0.0033784 k( 9) = ( 0.0000000 0.0000000 0.0930233), wk = 0.0033784 k( 10) = ( 0.0000000 0.0000000 0.1046512), wk = 0.0033784 k( 11) = ( 0.0000000 0.0000000 0.1162791), wk = 0.0033784 k( 12) = ( 0.0000000 0.0000000 0.1279070), wk = 0.0033784 k( 13) = ( 0.0000000 0.0000000 0.1395349), wk = 0.0033784 k( 14) = ( 0.0000000 0.0000000 0.1511628), wk = 0.0033784 k( 15) = ( 0.0000000 0.0000000 0.1627907), wk = 0.0033784 k( 16) = ( 0.0000000 0.0000000 0.1744186), wk = 0.0033784 k( 17) = ( 0.0000000 0.0000000 0.1860465), wk = 0.0033784 k( 18) = ( 0.0000000 0.0000000 0.1976744), wk = 0.0033784 k( 19) = ( 0.0000000 0.0000000 0.2093023), wk = 0.0033784 k( 20) = ( 0.0000000 0.0000000 0.2209302), wk = 0.0033784 k( 21) = ( 0.0000000 0.0000000 0.2325581), wk = 0.0033784 k( 22) = ( 0.0000000 0.0000000 0.2441861), wk = 0.0033784 k( 23) = ( 0.0000000 0.0000000 0.2558140), wk = 0.0033784 k( 24) = ( 0.0000000 0.0000000 0.2674419), wk = 0.0033784 k( 25) = ( 0.0000000 0.0000000 0.2790698), wk = 0.0033784 k( 26) = ( 0.0000000 0.0000000 0.2906977), wk = 0.0033784 k( 27) = ( 0.0000000 0.0000000 0.3023256), wk = 0.0033784 k( 28) = ( 0.0000000 0.0000000 0.3139535), wk = 0.0033784 k( 29) = ( 0.0000000 0.0000000 0.3255814), wk = 0.0033784 k( 30) = ( 0.0000000 0.0000000 0.3372093), wk = 0.0033784 k( 31) = ( 0.0000000 0.0000000 0.3488372), wk = 0.0033784 k( 32) = ( 0.0000000 0.0000000 0.3604651), wk = 0.0033784 k( 33) = ( 0.0000000 0.0000000 0.3720930), wk = 0.0033784 k( 34) = ( 0.0000000 0.0000000 0.3837209), wk = 0.0033784 k( 35) = ( 0.0000000 0.0000000 0.3953488), wk = 0.0033784 k( 36) = ( 0.0000000 0.0000000 0.4069767), wk = 0.0033784 k( 37) = ( 0.0000000 0.0000000 0.4186047), wk = 0.0033784 k( 38) = ( 0.0000000 0.0000000 0.4302326), wk = 0.0033784 k( 39) = ( 0.0000000 0.0000000 0.4418605), wk = 0.0033784 k( 40) = ( 0.0000000 0.0000000 0.4534884), wk = 0.0033784 k( 41) = ( 0.0000000 0.0000000 0.4651163), wk = 0.0033784 k( 42) = ( 0.0000000 0.0000000 0.4767442), wk = 0.0033784 k( 43) = ( 0.0000000 0.0000000 0.4883721), wk = 0.0033784 k( 44) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 45) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 46) = ( -0.0113856 0.0113856 0.5000000), wk = 0.0033784 k( 47) = ( -0.0227712 0.0227712 0.5000000), wk = 0.0033784 k( 48) = ( -0.0341568 0.0341568 0.5000000), wk = 0.0033784 k( 49) = ( -0.0455424 0.0455424 0.5000000), wk = 0.0033784 k( 50) = ( -0.0569280 0.0569280 0.5000000), wk = 0.0033784 k( 51) = ( -0.0683136 0.0683136 0.5000000), wk = 0.0033784 k( 52) = ( -0.0796992 0.0796992 0.5000000), wk = 0.0033784 k( 53) = ( -0.0910848 0.0910848 0.5000000), wk = 0.0033784 k( 54) = ( -0.1024705 0.1024705 0.5000000), wk = 0.0033784 k( 55) = ( -0.1138561 0.1138561 0.5000000), wk = 0.0033784 k( 56) = ( -0.1252417 0.1252417 0.5000000), wk = 0.0033784 k( 57) = ( -0.1252417 0.1252417 0.5000000), wk = 0.0033784 k( 58) = ( -0.1333886 0.1333886 0.4918531), wk = 0.0033784 k( 59) = ( -0.1415355 0.1415355 0.4837062), wk = 0.0033784 k( 60) = ( -0.1496824 0.1496824 0.4755592), wk = 0.0033784 k( 61) = ( -0.1578293 0.1578293 0.4674123), wk = 0.0033784 k( 62) = ( -0.1659763 0.1659763 0.4592654), wk = 0.0033784 k( 63) = ( -0.1741232 0.1741232 0.4511185), wk = 0.0033784 k( 64) = ( -0.1822701 0.1822701 0.4429716), wk = 0.0033784 k( 65) = ( -0.1904170 0.1904170 0.4348246), wk = 0.0033784 k( 66) = ( -0.1985639 0.1985639 0.4266777), wk = 0.0033784 k( 67) = ( -0.2067109 0.2067109 0.4185308), wk = 0.0033784 k( 68) = ( -0.2148578 0.2148578 0.4103839), wk = 0.0033784 k( 69) = ( -0.2230047 0.2230047 0.4022370), wk = 0.0033784 k( 70) = ( -0.2311516 0.2311516 0.3940900), wk = 0.0033784 k( 71) = ( -0.2392985 0.2392985 0.3859431), wk = 0.0033784 k( 72) = ( -0.2474455 0.2474455 0.3777962), wk = 0.0033784 k( 73) = ( -0.2555924 0.2555924 0.3696493), wk = 0.0033784 k( 74) = ( -0.2637393 0.2637393 0.3615023), wk = 0.0033784 k( 75) = ( -0.2718862 0.2718862 0.3533554), wk = 0.0033784 k( 76) = ( -0.2800332 0.2800332 0.3452085), wk = 0.0033784 k( 77) = ( -0.2881801 0.2881801 0.3370616), wk = 0.0033784 k( 78) = ( -0.2963270 0.2963270 0.3289147), wk = 0.0033784 k( 79) = ( -0.3044739 0.3044739 0.3207678), wk = 0.0033784 k( 80) = ( -0.3126208 0.3126208 0.3126208), wk = 0.0033784 k( 81) = ( -0.3126208 0.3126208 0.3126208), wk = 0.0033784 k( 82) = ( -0.3043940 0.3043940 0.3043940), wk = 0.0033784 k( 83) = ( -0.2961671 0.2961671 0.2961671), wk = 0.0033784 k( 84) = ( -0.2879402 0.2879402 0.2879402), wk = 0.0033784 k( 85) = ( -0.2797134 0.2797134 0.2797134), wk = 0.0033784 k( 86) = ( -0.2714865 0.2714865 0.2714865), wk = 0.0033784 k( 87) = ( -0.2632597 0.2632597 0.2632597), wk = 0.0033784 k( 88) = ( -0.2550328 0.2550328 0.2550328), wk = 0.0033784 k( 89) = ( -0.2468059 0.2468059 0.2468059), wk = 0.0033784 k( 90) = ( -0.2385791 0.2385791 0.2385791), wk = 0.0033784 k( 91) = ( -0.2303522 0.2303522 0.2303522), wk = 0.0033784 k( 92) = ( -0.2221253 0.2221253 0.2221253), wk = 0.0033784 k( 93) = ( -0.2138985 0.2138985 0.2138985), wk = 0.0033784 k( 94) = ( -0.2056716 0.2056716 0.2056716), wk = 0.0033784 k( 95) = ( -0.1974447 0.1974447 0.1974447), wk = 0.0033784 k( 96) = ( -0.1892179 0.1892179 0.1892179), wk = 0.0033784 k( 97) = ( -0.1809910 0.1809910 0.1809910), wk = 0.0033784 k( 98) = ( -0.1727641 0.1727641 0.1727641), wk = 0.0033784 k( 99) = ( -0.1645373 0.1645373 0.1645373), wk = 0.0033784 k( 100) = ( -0.1563104 0.1563104 0.1563104), wk = 0.0033784 k( 101) = ( -0.1480836 0.1480836 0.1480835), wk = 0.0033784 k( 102) = ( -0.1398567 0.1398567 0.1398567), wk = 0.0033784 k( 103) = ( -0.1316298 0.1316298 0.1316298), wk = 0.0033784 k( 104) = ( -0.1234030 0.1234030 0.1234030), wk = 0.0033784 k( 105) = ( -0.1151761 0.1151761 0.1151761), wk = 0.0033784 k( 106) = ( -0.1069492 0.1069492 0.1069492), wk = 0.0033784 k( 107) = ( -0.0987224 0.0987224 0.0987224), wk = 0.0033784 k( 108) = ( -0.0904955 0.0904955 0.0904955), wk = 0.0033784 k( 109) = ( -0.0822686 0.0822686 0.0822686), wk = 0.0033784 k( 110) = ( -0.0740418 0.0740418 0.0740418), wk = 0.0033784 k( 111) = ( -0.0658149 0.0658149 0.0658149), wk = 0.0033784 k( 112) = ( -0.0575881 0.0575881 0.0575881), wk = 0.0033784 k( 113) = ( -0.0493612 0.0493612 0.0493612), wk = 0.0033784 k( 114) = ( -0.0411343 0.0411343 0.0411343), wk = 0.0033784 k( 115) = ( -0.0329075 0.0329075 0.0329075), wk = 0.0033784 k( 116) = ( -0.0246806 0.0246806 0.0246806), wk = 0.0033784 k( 117) = ( -0.0164537 0.0164537 0.0164537), wk = 0.0033784 k( 118) = ( -0.0082269 0.0082269 0.0082269), wk = 0.0033784 k( 119) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033784 k( 121) = ( 0.0161290 0.0161290 -0.0161290), wk = 0.0033784 k( 122) = ( 0.0322581 0.0322581 -0.0322581), wk = 0.0033784 k( 123) = ( 0.0483871 0.0483871 -0.0483871), wk = 0.0033784 k( 124) = ( 0.0645161 0.0645161 -0.0645161), wk = 0.0033784 k( 125) = ( 0.0806452 0.0806452 -0.0806452), wk = 0.0033784 k( 126) = ( 0.0967742 0.0967742 -0.0967742), wk = 0.0033784 k( 127) = ( 0.1129032 0.1129032 -0.1129032), wk = 0.0033784 k( 128) = ( 0.1290323 0.1290323 -0.1290323), wk = 0.0033784 k( 129) = ( 0.1451613 0.1451613 -0.1451613), wk = 0.0033784 k( 130) = ( 0.1612903 0.1612903 -0.1612903), wk = 0.0033784 k( 131) = ( 0.1774194 0.1774194 -0.1774194), wk = 0.0033784 k( 132) = ( 0.1935484 0.1935484 -0.1935484), wk = 0.0033784 k( 133) = ( 0.2096774 0.2096774 -0.2096774), wk = 0.0033784 k( 134) = ( 0.2258064 0.2258064 -0.2258065), wk = 0.0033784 k( 135) = ( 0.2419355 0.2419355 -0.2419355), wk = 0.0033784 k( 136) = ( 0.2580645 0.2580645 -0.2580645), wk = 0.0033784 k( 137) = ( 0.2741936 0.2741936 -0.2741935), wk = 0.0033784 k( 138) = ( 0.2903226 0.2903226 -0.2903226), wk = 0.0033784 k( 139) = ( 0.3064516 0.3064516 -0.3064516), wk = 0.0033784 k( 140) = ( 0.3225807 0.3225807 -0.3225807), wk = 0.0033784 k( 141) = ( 0.3387097 0.3387097 -0.3387097), wk = 0.0033784 k( 142) = ( 0.3548387 0.3548387 -0.3548387), wk = 0.0033784 k( 143) = ( 0.3709677 0.3709677 -0.3709677), wk = 0.0033784 k( 144) = ( 0.3870968 0.3870968 -0.3870968), wk = 0.0033784 k( 145) = ( 0.4032258 0.4032258 -0.4032258), wk = 0.0033784 k( 146) = ( 0.4193548 0.4193548 -0.4193548), wk = 0.0033784 k( 147) = ( 0.4354839 0.4354839 -0.4354839), wk = 0.0033784 k( 148) = ( 0.4516129 0.4516129 -0.4516129), wk = 0.0033784 k( 149) = ( 0.4677419 0.4677419 -0.4677419), wk = 0.0033784 k( 150) = ( 0.4838710 0.4838710 -0.4838710), wk = 0.0033784 k( 151) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033784 k( 152) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033784 k( 153) = ( 0.4918531 0.5081469 -0.4918531), wk = 0.0033784 k( 154) = ( 0.4837062 0.5162938 -0.4837062), wk = 0.0033784 k( 155) = ( 0.4755592 0.5244408 -0.4755592), wk = 0.0033784 k( 156) = ( 0.4674123 0.5325877 -0.4674123), wk = 0.0033784 k( 157) = ( 0.4592654 0.5407346 -0.4592654), wk = 0.0033784 k( 158) = ( 0.4511185 0.5488815 -0.4511185), wk = 0.0033784 k( 159) = ( 0.4429716 0.5570284 -0.4429716), wk = 0.0033784 k( 160) = ( 0.4348246 0.5651754 -0.4348246), wk = 0.0033784 k( 161) = ( 0.4266777 0.5733223 -0.4266777), wk = 0.0033784 k( 162) = ( 0.4185308 0.5814692 -0.4185308), wk = 0.0033784 k( 163) = ( 0.4103839 0.5896161 -0.4103839), wk = 0.0033784 k( 164) = ( 0.4022370 0.5977630 -0.4022370), wk = 0.0033784 k( 165) = ( 0.3940900 0.6059100 -0.3940900), wk = 0.0033784 k( 166) = ( 0.3859431 0.6140569 -0.3859431), wk = 0.0033784 k( 167) = ( 0.3777962 0.6222038 -0.3777962), wk = 0.0033784 k( 168) = ( 0.3696493 0.6303507 -0.3696493), wk = 0.0033784 k( 169) = ( 0.3615023 0.6384976 -0.3615023), wk = 0.0033784 k( 170) = ( 0.3533554 0.6466446 -0.3533554), wk = 0.0033784 k( 171) = ( 0.3452085 0.6547915 -0.3452085), wk = 0.0033784 k( 172) = ( 0.3370616 0.6629384 -0.3370616), wk = 0.0033784 k( 173) = ( 0.3289147 0.6710853 -0.3289147), wk = 0.0033784 k( 174) = ( 0.3207678 0.6792322 -0.3207677), wk = 0.0033784 k( 175) = ( 0.3126208 0.6873792 -0.3126208), wk = 0.0033784 k( 176) = ( 0.3126208 0.6873792 -0.3126208), wk = 0.0033784 k( 177) = ( 0.2942314 0.6763569 -0.2942314), wk = 0.0033784 k( 178) = ( 0.2758419 0.6653346 -0.2758419), wk = 0.0033784 k( 179) = ( 0.2574524 0.6543123 -0.2574524), wk = 0.0033784 k( 180) = ( 0.2390630 0.6432899 -0.2390630), wk = 0.0033784 k( 181) = ( 0.2206735 0.6322676 -0.2206735), wk = 0.0033784 k( 182) = ( 0.2022841 0.6212453 -0.2022841), wk = 0.0033784 k( 183) = ( 0.1838946 0.6102230 -0.1838946), wk = 0.0033784 k( 184) = ( 0.1655051 0.5992007 -0.1655051), wk = 0.0033784 k( 185) = ( 0.1471157 0.5881784 -0.1471157), wk = 0.0033784 k( 186) = ( 0.1287262 0.5771561 -0.1287262), wk = 0.0033784 k( 187) = ( 0.1103368 0.5661338 -0.1103368), wk = 0.0033784 k( 188) = ( 0.0919473 0.5551115 -0.0919473), wk = 0.0033784 k( 189) = ( 0.0735578 0.5440892 -0.0735578), wk = 0.0033784 k( 190) = ( 0.0551684 0.5330669 -0.0551684), wk = 0.0033784 k( 191) = ( 0.0367789 0.5220446 -0.0367789), wk = 0.0033784 k( 192) = ( 0.0183895 0.5110223 -0.0183895), wk = 0.0033784 k( 193) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033784 k( 194) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033784 k( 195) = ( 0.0080645 0.4919355 0.0080645), wk = 0.0033784 k( 196) = ( 0.0161290 0.4838710 0.0161290), wk = 0.0033784 k( 197) = ( 0.0241936 0.4758065 0.0241936), wk = 0.0033784 k( 198) = ( 0.0322581 0.4677419 0.0322581), wk = 0.0033784 k( 199) = ( 0.0403226 0.4596774 0.0403226), wk = 0.0033784 k( 200) = ( 0.0483871 0.4516129 0.0483871), wk = 0.0033784 k( 201) = ( 0.0564516 0.4435484 0.0564516), wk = 0.0033784 k( 202) = ( 0.0645161 0.4354839 0.0645161), wk = 0.0033784 k( 203) = ( 0.0725806 0.4274193 0.0725807), wk = 0.0033784 k( 204) = ( 0.0806452 0.4193548 0.0806452), wk = 0.0033784 k( 205) = ( 0.0887097 0.4112903 0.0887097), wk = 0.0033784 k( 206) = ( 0.0967742 0.4032258 0.0967742), wk = 0.0033784 k( 207) = ( 0.1048387 0.3951613 0.1048387), wk = 0.0033784 k( 208) = ( 0.1129032 0.3870968 0.1129032), wk = 0.0033784 k( 209) = ( 0.1209677 0.3790323 0.1209677), wk = 0.0033784 k( 210) = ( 0.1290323 0.3709677 0.1290323), wk = 0.0033784 k( 211) = ( 0.1370968 0.3629032 0.1370968), wk = 0.0033784 k( 212) = ( 0.1451613 0.3548387 0.1451613), wk = 0.0033784 k( 213) = ( 0.1532258 0.3467742 0.1532258), wk = 0.0033784 k( 214) = ( 0.1612903 0.3387097 0.1612903), wk = 0.0033784 k( 215) = ( 0.1693548 0.3306452 0.1693548), wk = 0.0033784 k( 216) = ( 0.1774194 0.3225807 0.1774194), wk = 0.0033784 k( 217) = ( 0.1854839 0.3145161 0.1854839), wk = 0.0033784 k( 218) = ( 0.1935484 0.3064516 0.1935484), wk = 0.0033784 k( 219) = ( 0.2016129 0.2983871 0.2016129), wk = 0.0033784 k( 220) = ( 0.2096774 0.2903226 0.2096774), wk = 0.0033784 k( 221) = ( 0.2177419 0.2822581 0.2177419), wk = 0.0033784 k( 222) = ( 0.2258064 0.2741936 0.2258064), wk = 0.0033784 k( 223) = ( 0.2338710 0.2661290 0.2338710), wk = 0.0033784 k( 224) = ( 0.2419355 0.2580645 0.2419355), wk = 0.0033784 k( 225) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033784 k( 226) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033784 k( 227) = ( 0.2631579 0.2631579 0.2302504), wk = 0.0033784 k( 228) = ( 0.2763158 0.2763158 0.2105009), wk = 0.0033784 k( 229) = ( 0.2894737 0.2894737 0.1907513), wk = 0.0033784 k( 230) = ( 0.3026316 0.3026316 0.1710018), wk = 0.0033784 k( 231) = ( 0.3157895 0.3157895 0.1512522), wk = 0.0033784 k( 232) = ( 0.3289474 0.3289474 0.1315026), wk = 0.0033784 k( 233) = ( 0.3421053 0.3421053 0.1117531), wk = 0.0033784 k( 234) = ( 0.3552632 0.3552632 0.0920035), wk = 0.0033784 k( 235) = ( 0.3684211 0.3684211 0.0722540), wk = 0.0033784 k( 236) = ( 0.3815789 0.3815789 0.0525044), wk = 0.0033784 k( 237) = ( 0.3947368 0.3947368 0.0327548), wk = 0.0033784 k( 238) = ( 0.4078947 0.4078947 0.0130053), wk = 0.0033784 k( 239) = ( 0.4210526 0.4210526 -0.0067443), wk = 0.0033784 k( 240) = ( 0.4342105 0.4342105 -0.0264939), wk = 0.0033784 k( 241) = ( 0.4473684 0.4473684 -0.0462434), wk = 0.0033784 k( 242) = ( 0.4605263 0.4605263 -0.0659930), wk = 0.0033784 k( 243) = ( 0.4736842 0.4736842 -0.0857425), wk = 0.0033784 k( 244) = ( 0.4868421 0.4868421 -0.1054921), wk = 0.0033784 k( 245) = ( 0.5000000 0.5000000 -0.1252417), wk = 0.0033784 k( 246) = ( 0.5000000 0.5000000 -0.1252417), wk = 0.0033784 k( 247) = ( 0.5000000 0.5000000 -0.1365980), wk = 0.0033784 k( 248) = ( 0.5000000 0.5000000 -0.1479543), wk = 0.0033784 k( 249) = ( 0.5000000 0.5000000 -0.1593106), wk = 0.0033784 k( 250) = ( 0.5000000 0.5000000 -0.1706669), wk = 0.0033784 k( 251) = ( 0.5000000 0.5000000 -0.1820232), wk = 0.0033784 k( 252) = ( 0.5000000 0.5000000 -0.1933795), wk = 0.0033784 k( 253) = ( 0.5000000 0.5000000 -0.2047359), wk = 0.0033784 k( 254) = ( 0.5000000 0.5000000 -0.2160922), wk = 0.0033784 k( 255) = ( 0.5000000 0.5000000 -0.2274485), wk = 0.0033784 k( 256) = ( 0.5000000 0.5000000 -0.2388048), wk = 0.0033784 k( 257) = ( 0.5000000 0.5000000 -0.2501611), wk = 0.0033784 k( 258) = ( 0.5000000 0.5000000 -0.2615174), wk = 0.0033784 k( 259) = ( 0.5000000 0.5000000 -0.2728737), wk = 0.0033784 k( 260) = ( 0.5000000 0.5000000 -0.2842301), wk = 0.0033784 k( 261) = ( 0.5000000 0.5000000 -0.2955864), wk = 0.0033784 k( 262) = ( 0.5000000 0.5000000 -0.3069427), wk = 0.0033784 k( 263) = ( 0.5000000 0.5000000 -0.3182990), wk = 0.0033784 k( 264) = ( 0.5000000 0.5000000 -0.3296553), wk = 0.0033784 k( 265) = ( 0.5000000 0.5000000 -0.3410116), wk = 0.0033784 k( 266) = ( 0.5000000 0.5000000 -0.3523679), wk = 0.0033784 k( 267) = ( 0.5000000 0.5000000 -0.3637242), wk = 0.0033784 k( 268) = ( 0.5000000 0.5000000 -0.3750805), wk = 0.0033784 k( 269) = ( 0.5000000 0.5000000 -0.3864369), wk = 0.0033784 k( 270) = ( 0.5000000 0.5000000 -0.3977932), wk = 0.0033784 k( 271) = ( 0.5000000 0.5000000 -0.4091495), wk = 0.0033784 k( 272) = ( 0.5000000 0.5000000 -0.4205058), wk = 0.0033784 k( 273) = ( 0.5000000 0.5000000 -0.4318621), wk = 0.0033784 k( 274) = ( 0.5000000 0.5000000 -0.4432184), wk = 0.0033784 k( 275) = ( 0.5000000 0.5000000 -0.4545747), wk = 0.0033784 k( 276) = ( 0.5000000 0.5000000 -0.4659311), wk = 0.0033784 k( 277) = ( 0.5000000 0.5000000 -0.4772874), wk = 0.0033784 k( 278) = ( 0.5000000 0.5000000 -0.4886437), wk = 0.0033784 k( 279) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0033784 k( 280) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033784 k( 281) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0033784 k( 282) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0033784 k( 283) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0033784 k( 284) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0033784 k( 285) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0033784 k( 286) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0033784 k( 287) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0033784 k( 288) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0033784 k( 289) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0033784 k( 290) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0033784 k( 291) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0033784 k( 292) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0033784 k( 293) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0033784 k( 294) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0033784 k( 295) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0033784 k( 296) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0033784 Dense grid: 57595 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 39571 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 214, 62) NL pseudopotentials 0.44 Mb ( 107, 272) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1200) G-vector shells 0.00 Mb ( 585) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.81 Mb ( 214, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.51 Mb ( 272, 2, 62) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./AlCuS2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 45.7 secs Computing kpt #: 2 total cpu time spent up to now is 49.4 secs Computing kpt #: 3 total cpu time spent up to now is 53.0 secs Computing kpt #: 4 total cpu time spent up to now is 56.7 secs Computing kpt #: 5 total cpu time spent up to now is 60.5 secs Computing kpt #: 6 total cpu time spent up to now is 64.3 secs Computing kpt #: 7 total cpu time spent up to now is 68.0 secs Computing kpt #: 8 total cpu time spent up to now is 71.8 secs Computing kpt #: 9 total cpu time spent up to now is 75.6 secs Computing kpt #: 10 total cpu time spent up to now is 79.4 secs Computing kpt #: 11 total cpu time spent up to now is 83.3 secs Computing kpt #: 12 total cpu time spent up to now is 87.2 secs Computing kpt #: 13 total cpu time spent up to now is 91.1 secs Computing kpt #: 14 total cpu time spent up to now is 95.0 secs Computing kpt #: 15 total cpu time spent up to now is 99.1 secs Computing kpt #: 16 total cpu time spent up to now is 103.3 secs Computing kpt #: 17 total cpu time spent up to now is 107.6 secs Computing kpt #: 18 total cpu time spent up to now is 112.2 secs Computing kpt #: 19 total cpu time spent up to now is 116.8 secs Computing kpt #: 20 total cpu time spent up to now is 122.4 secs Computing kpt #: 21 total cpu time spent up to now is 127.9 secs Computing kpt #: 22 total cpu time spent up to now is 132.6 secs Computing kpt #: 23 total cpu time spent up to now is 138.1 secs Computing kpt #: 24 total cpu time spent up to now is 142.6 secs Computing kpt #: 25 total cpu time spent up to now is 147.1 secs Computing kpt #: 26 total cpu time spent up to now is 151.1 secs Computing kpt #: 27 total cpu time spent up to now is 155.0 secs Computing kpt #: 28 total cpu time spent up to now is 158.8 secs Computing kpt #: 29 total cpu time spent up to now is 162.7 secs Computing kpt #: 30 total cpu time spent up to now is 166.6 secs Computing kpt #: 31 total cpu time spent up to now is 170.4 secs Computing kpt #: 32 total cpu time spent up to now is 174.3 secs Computing kpt #: 33 total cpu time spent up to now is 178.0 secs Computing kpt #: 34 total cpu time spent up to now is 181.6 secs Computing kpt #: 35 total cpu time spent up to now is 185.5 secs Computing kpt #: 36 total cpu time spent up to now is 189.1 secs Computing kpt #: 37 total cpu time spent up to now is 193.0 secs Computing kpt #: 38 total cpu time spent up to now is 196.8 secs Computing kpt #: 39 total cpu time spent up to now is 201.1 secs Computing kpt #: 40 total cpu time spent up to now is 205.0 secs Computing kpt #: 41 total cpu time spent up to now is 209.0 secs Computing kpt #: 42 total cpu time spent up to now is 213.4 secs Computing kpt #: 43 total cpu time spent up to now is 218.7 secs Computing kpt #: 44 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 225.9 secs Computing kpt #: 45 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 232.8 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 240.2 secs Computing kpt #: 47 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 247.5 secs Computing kpt #: 48 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 255.0 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 262.6 secs Computing kpt #: 50 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 270.0 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 277.4 secs Computing kpt #: 52 total cpu time spent up to now is 282.8 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 290.3 secs Computing kpt #: 54 total cpu time spent up to now is 296.9 secs Computing kpt #: 55 total cpu time spent up to now is 301.8 secs Computing kpt #: 56 total cpu time spent up to now is 307.3 secs Computing kpt #: 57 total cpu time spent up to now is 312.2 secs Computing kpt #: 58 total cpu time spent up to now is 319.1 secs Computing kpt #: 59 total cpu time spent up to now is 324.7 secs Computing kpt #: 60 total cpu time spent up to now is 329.3 secs Computing kpt #: 61 total cpu time spent up to now is 333.9 secs Computing kpt #: 62 total cpu time spent up to now is 337.7 secs Computing kpt #: 63 total cpu time spent up to now is 342.0 secs Computing kpt #: 64 total cpu time spent up to now is 345.6 secs Computing kpt #: 65 total cpu time spent up to now is 349.3 secs Computing kpt #: 66 total cpu time spent up to now is 352.9 secs Computing kpt #: 67 total cpu time spent up to now is 356.5 secs Computing kpt #: 68 total cpu time spent up to now is 360.5 secs Computing kpt #: 69 total cpu time spent up to now is 364.3 secs Computing kpt #: 70 total cpu time spent up to now is 368.1 secs Computing kpt #: 71 total cpu time spent up to now is 371.9 secs Computing kpt #: 72 total cpu time spent up to now is 375.9 secs Computing kpt #: 73 total cpu time spent up to now is 380.0 secs Computing kpt #: 74 total cpu time spent up to now is 384.5 secs Computing kpt #: 75 total cpu time spent up to now is 389.0 secs Computing kpt #: 76 total cpu time spent up to now is 394.4 secs Computing kpt #: 77 total cpu time spent up to now is 400.8 secs Computing kpt #: 78 total cpu time spent up to now is 407.9 secs Computing kpt #: 79 total cpu time spent up to now is 414.3 secs Computing kpt #: 80 total cpu time spent up to now is 420.5 secs Computing kpt #: 81 total cpu time spent up to now is 426.8 secs Computing kpt #: 82 total cpu time spent up to now is 431.8 secs Computing kpt #: 83 total cpu time spent up to now is 436.3 secs Computing kpt #: 84 total cpu time spent up to now is 440.3 secs Computing kpt #: 85 total cpu time spent up to now is 444.1 secs Computing kpt #: 86 total cpu time spent up to now is 447.8 secs Computing kpt #: 87 total cpu time spent up to now is 451.4 secs Computing kpt #: 88 total cpu time spent up to now is 454.9 secs Computing kpt #: 89 total cpu time spent up to now is 458.3 secs Computing kpt #: 90 total cpu time spent up to now is 461.8 secs Computing kpt #: 91 total cpu time spent up to now is 465.4 secs Computing kpt #: 92 total cpu time spent up to now is 468.9 secs Computing kpt #: 93 total cpu time spent up to now is 472.5 secs Computing kpt #: 94 total cpu time spent up to now is 476.3 secs Computing kpt #: 95 total cpu time spent up to now is 480.0 secs Computing kpt #: 96 total cpu time spent up to now is 483.7 secs Computing kpt #: 97 total cpu time spent up to now is 487.4 secs Computing kpt #: 98 total cpu time spent up to now is 491.2 secs Computing kpt #: 99 total cpu time spent up to now is 495.0 secs Computing kpt #: 100 total cpu time spent up to now is 499.0 secs Computing kpt #: 101 total cpu time spent up to now is 502.9 secs Computing kpt #: 102 total cpu time spent up to now is 507.0 secs Computing kpt #: 103 total cpu time spent up to now is 511.2 secs Computing kpt #: 104 total cpu time spent up to now is 515.7 secs Computing kpt #: 105 total cpu time spent up to now is 520.0 secs Computing kpt #: 106 total cpu time spent up to now is 524.1 secs Computing kpt #: 107 total cpu time spent up to now is 528.2 secs Computing kpt #: 108 total cpu time spent up to now is 532.2 secs Computing kpt #: 109 total cpu time spent up to now is 536.2 secs Computing kpt #: 110 total cpu time spent up to now is 540.1 secs Computing kpt #: 111 total cpu time spent up to now is 544.0 secs Computing kpt #: 112 total cpu time spent up to now is 547.8 secs Computing kpt #: 113 total cpu time spent up to now is 551.6 secs Computing kpt #: 114 total cpu time spent up to now is 555.3 secs Computing kpt #: 115 total cpu time spent up to now is 559.1 secs Computing kpt #: 116 total cpu time spent up to now is 562.7 secs Computing kpt #: 117 total cpu time spent up to now is 566.4 secs Computing kpt #: 118 total cpu time spent up to now is 570.0 secs Computing kpt #: 119 total cpu time spent up to now is 573.8 secs Computing kpt #: 120 total cpu time spent up to now is 577.3 secs Computing kpt #: 121 total cpu time spent up to now is 581.0 secs Computing kpt #: 122 total cpu time spent up to now is 584.5 secs Computing kpt #: 123 total cpu time spent up to now is 588.0 secs Computing kpt #: 124 total cpu time spent up to now is 591.6 secs Computing kpt #: 125 total cpu time spent up to now is 595.1 secs Computing kpt #: 126 total cpu time spent up to now is 598.4 secs Computing kpt #: 127 total cpu time spent up to now is 601.9 secs Computing kpt #: 128 total cpu time spent up to now is 605.3 secs Computing kpt #: 129 total cpu time spent up to now is 608.7 secs Computing kpt #: 130 total cpu time spent up to now is 612.2 secs Computing kpt #: 131 total cpu time spent up to now is 615.7 secs Computing kpt #: 132 total cpu time spent up to now is 619.9 secs Computing kpt #: 133 total cpu time spent up to now is 623.9 secs Computing kpt #: 134 total cpu time spent up to now is 627.5 secs Computing kpt #: 135 total cpu time spent up to now is 631.2 secs Computing kpt #: 136 total cpu time spent up to now is 634.9 secs Computing kpt #: 137 total cpu time spent up to now is 638.7 secs Computing kpt #: 138 total cpu time spent up to now is 643.0 secs Computing kpt #: 139 total cpu time spent up to now is 647.0 secs Computing kpt #: 140 total cpu time spent up to now is 651.0 secs Computing kpt #: 141 total cpu time spent up to now is 655.0 secs Computing kpt #: 142 total cpu time spent up to now is 658.8 secs Computing kpt #: 143 total cpu time spent up to now is 662.7 secs Computing kpt #: 144 total cpu time spent up to now is 666.5 secs Computing kpt #: 145 total cpu time spent up to now is 670.3 secs Computing kpt #: 146 total cpu time spent up to now is 674.0 secs Computing kpt #: 147 total cpu time spent up to now is 677.8 secs Computing kpt #: 148 total cpu time spent up to now is 681.5 secs Computing kpt #: 149 total cpu time spent up to now is 685.2 secs Computing kpt #: 150 total cpu time spent up to now is 689.1 secs Computing kpt #: 151 total cpu time spent up to now is 692.9 secs Computing kpt #: 152 total cpu time spent up to now is 696.5 secs Computing kpt #: 153 total cpu time spent up to now is 701.0 secs Computing kpt #: 154 total cpu time spent up to now is 705.2 secs Computing kpt #: 155 total cpu time spent up to now is 709.3 secs Computing kpt #: 156 total cpu time spent up to now is 713.4 secs Computing kpt #: 157 total cpu time spent up to now is 717.7 secs Computing kpt #: 158 total cpu time spent up to now is 721.8 secs Computing kpt #: 159 total cpu time spent up to now is 725.9 secs Computing kpt #: 160 total cpu time spent up to now is 730.0 secs Computing kpt #: 161 total cpu time spent up to now is 734.1 secs Computing kpt #: 162 total cpu time spent up to now is 738.2 secs Computing kpt #: 163 total cpu time spent up to now is 742.3 secs Computing kpt #: 164 total cpu time spent up to now is 746.4 secs Computing kpt #: 165 total cpu time spent up to now is 750.9 secs Computing kpt #: 166 total cpu time spent up to now is 755.0 secs Computing kpt #: 167 total cpu time spent up to now is 759.4 secs Computing kpt #: 168 total cpu time spent up to now is 764.0 secs Computing kpt #: 169 total cpu time spent up to now is 768.5 secs Computing kpt #: 170 total cpu time spent up to now is 773.4 secs Computing kpt #: 171 total cpu time spent up to now is 778.3 secs Computing kpt #: 172 total cpu time spent up to now is 782.8 secs Computing kpt #: 173 total cpu time spent up to now is 787.4 secs Computing kpt #: 174 total cpu time spent up to now is 792.1 secs Computing kpt #: 175 total cpu time spent up to now is 797.4 secs Computing kpt #: 176 total cpu time spent up to now is 802.7 secs Computing kpt #: 177 total cpu time spent up to now is 808.0 secs Computing kpt #: 178 total cpu time spent up to now is 813.4 secs Computing kpt #: 179 total cpu time spent up to now is 818.1 secs Computing kpt #: 180 total cpu time spent up to now is 822.7 secs Computing kpt #: 181 total cpu time spent up to now is 827.2 secs Computing kpt #: 182 total cpu time spent up to now is 831.3 secs Computing kpt #: 183 total cpu time spent up to now is 835.4 secs Computing kpt #: 184 total cpu time spent up to now is 839.3 secs Computing kpt #: 185 total cpu time spent up to now is 843.2 secs Computing kpt #: 186 total cpu time spent up to now is 847.2 secs Computing kpt #: 187 total cpu time spent up to now is 851.2 secs Computing kpt #: 188 total cpu time spent up to now is 855.8 secs Computing kpt #: 189 total cpu time spent up to now is 860.7 secs Computing kpt #: 190 total cpu time spent up to now is 865.3 secs Computing kpt #: 191 total cpu time spent up to now is 869.3 secs Computing kpt #: 192 total cpu time spent up to now is 873.3 secs Computing kpt #: 193 total cpu time spent up to now is 877.1 secs Computing kpt #: 194 total cpu time spent up to now is 880.9 secs Computing kpt #: 195 total cpu time spent up to now is 884.7 secs Computing kpt #: 196 total cpu time spent up to now is 888.6 secs Computing kpt #: 197 total cpu time spent up to now is 892.6 secs Computing kpt #: 198 total cpu time spent up to now is 897.2 secs Computing kpt #: 199 total cpu time spent up to now is 901.7 secs Computing kpt #: 200 total cpu time spent up to now is 906.8 secs Computing kpt #: 201 total cpu time spent up to now is 914.0 secs Computing kpt #: 202 total cpu time spent up to now is 918.8 secs Computing kpt #: 203 total cpu time spent up to now is 925.6 secs Computing kpt #: 204 total cpu time spent up to now is 930.5 secs Computing kpt #: 205 total cpu time spent up to now is 935.0 secs Computing kpt #: 206 total cpu time spent up to now is 939.5 secs Computing kpt #: 207 total cpu time spent up to now is 943.7 secs Computing kpt #: 208 total cpu time spent up to now is 947.8 secs Computing kpt #: 209 total cpu time spent up to now is 951.9 secs Computing kpt #: 210 total cpu time spent up to now is 956.0 secs Computing kpt #: 211 total cpu time spent up to now is 959.9 secs Computing kpt #: 212 total cpu time spent up to now is 963.9 secs Computing kpt #: 213 total cpu time spent up to now is 967.9 secs Computing kpt #: 214 total cpu time spent up to now is 971.7 secs Computing kpt #: 215 total cpu time spent up to now is 975.4 secs Computing kpt #: 216 total cpu time spent up to now is 979.4 secs Computing kpt #: 217 total cpu time spent up to now is 983.2 secs Computing kpt #: 218 total cpu time spent up to now is 987.2 secs Computing kpt #: 219 total cpu time spent up to now is 991.2 secs Computing kpt #: 220 total cpu time spent up to now is 995.4 secs Computing kpt #: 221 total cpu time spent up to now is 999.6 secs Computing kpt #: 222 total cpu time spent up to now is 1003.9 secs Computing kpt #: 223 total cpu time spent up to now is 1008.3 secs Computing kpt #: 224 total cpu time spent up to now is 1014.3 secs Computing kpt #: 225 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1021.8 secs Computing kpt #: 226 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1029.2 secs Computing kpt #: 227 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1036.5 secs Computing kpt #: 228 total cpu time spent up to now is 1042.4 secs Computing kpt #: 229 total cpu time spent up to now is 1047.2 secs Computing kpt #: 230 total cpu time spent up to now is 1051.4 secs Computing kpt #: 231 total cpu time spent up to now is 1055.6 secs Computing kpt #: 232 total cpu time spent up to now is 1059.9 secs Computing kpt #: 233 total cpu time spent up to now is 1064.0 secs Computing kpt #: 234 total cpu time spent up to now is 1067.9 secs Computing kpt #: 235 total cpu time spent up to now is 1072.1 secs Computing kpt #: 236 total cpu time spent up to now is 1076.7 secs Computing kpt #: 237 total cpu time spent up to now is 1081.4 secs Computing kpt #: 238 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1089.2 secs Computing kpt #: 239 total cpu time spent up to now is 1094.8 secs Computing kpt #: 240 total cpu time spent up to now is 1099.7 secs Computing kpt #: 241 total cpu time spent up to now is 1104.1 secs Computing kpt #: 242 total cpu time spent up to now is 1108.8 secs Computing kpt #: 243 total cpu time spent up to now is 1113.6 secs Computing kpt #: 244 total cpu time spent up to now is 1118.4 secs Computing kpt #: 245 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1125.6 secs Computing kpt #: 246 total cpu time spent up to now is 1132.0 secs Computing kpt #: 247 total cpu time spent up to now is 1137.3 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1144.7 secs Computing kpt #: 249 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1151.9 secs Computing kpt #: 250 total cpu time spent up to now is 1158.5 secs Computing kpt #: 251 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1165.6 secs Computing kpt #: 252 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1172.7 secs Computing kpt #: 253 total cpu time spent up to now is 1179.2 secs Computing kpt #: 254 total cpu time spent up to now is 1183.8 secs Computing kpt #: 255 total cpu time spent up to now is 1188.7 secs Computing kpt #: 256 total cpu time spent up to now is 1193.3 secs Computing kpt #: 257 total cpu time spent up to now is 1198.0 secs Computing kpt #: 258 total cpu time spent up to now is 1202.6 secs Computing kpt #: 259 total cpu time spent up to now is 1207.2 secs Computing kpt #: 260 total cpu time spent up to now is 1211.7 secs Computing kpt #: 261 total cpu time spent up to now is 1216.1 secs Computing kpt #: 262 total cpu time spent up to now is 1221.6 secs Computing kpt #: 263 total cpu time spent up to now is 1227.5 secs Computing kpt #: 264 total cpu time spent up to now is 1232.0 secs Computing kpt #: 265 total cpu time spent up to now is 1236.5 secs Computing kpt #: 266 total cpu time spent up to now is 1240.9 secs Computing kpt #: 267 total cpu time spent up to now is 1245.3 secs Computing kpt #: 268 total cpu time spent up to now is 1249.7 secs Computing kpt #: 269 total cpu time spent up to now is 1253.7 secs Computing kpt #: 270 total cpu time spent up to now is 1258.2 secs Computing kpt #: 271 total cpu time spent up to now is 1262.3 secs Computing kpt #: 272 total cpu time spent up to now is 1266.4 secs Computing kpt #: 273 total cpu time spent up to now is 1270.5 secs Computing kpt #: 274 total cpu time spent up to now is 1274.6 secs Computing kpt #: 275 total cpu time spent up to now is 1278.7 secs Computing kpt #: 276 total cpu time spent up to now is 1282.8 secs Computing kpt #: 277 total cpu time spent up to now is 1287.0 secs Computing kpt #: 278 total cpu time spent up to now is 1291.4 secs Computing kpt #: 279 total cpu time spent up to now is 1295.1 secs Computing kpt #: 280 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1302.3 secs Computing kpt #: 281 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1309.8 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1317.5 secs Computing kpt #: 283 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1325.0 secs Computing kpt #: 284 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1332.6 secs Computing kpt #: 285 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1340.2 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1347.8 secs Computing kpt #: 287 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1355.4 secs Computing kpt #: 288 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1363.0 secs Computing kpt #: 289 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1370.6 secs Computing kpt #: 290 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1378.4 secs Computing kpt #: 291 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1386.0 secs Computing kpt #: 292 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1393.6 secs Computing kpt #: 293 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1401.1 secs Computing kpt #: 294 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1408.7 secs Computing kpt #: 295 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1416.2 secs Computing kpt #: 296 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1423.6 secs ethr = 1.92E-11, avg # of iterations = 52.0 total cpu time spent up to now is 1423.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4941 PWs) bands (ev): -7.3950 -7.3950 -5.6914 -5.6914 -5.6736 -5.6736 -5.6689 -5.6689 0.2758 0.2758 1.4778 1.4778 1.9910 1.9910 2.1926 2.1926 2.2116 2.2116 2.7881 2.7881 2.7895 2.7895 3.5380 3.5380 3.5635 3.5635 3.7261 3.7261 3.7364 3.7364 3.7608 3.7608 5.2241 5.2241 5.4123 5.4123 5.4921 5.4921 5.7593 5.7593 5.7844 5.7844 5.8860 5.8860 5.9427 5.9427 7.3014 7.3014 7.3267 7.3267 7.4780 7.4780 9.4087 9.4087 9.5238 9.5238 10.7752 10.7752 11.7786 11.7786 11.7858 11.7858 k = 0.0000 0.0000 0.0201 ( 4941 PWs) bands (ev): -7.3942 -7.3942 -5.6916 -5.6912 -5.6743 -5.6742 -5.6696 -5.6696 0.2765 0.2766 1.4760 1.4779 1.9887 1.9910 2.1914 2.1917 2.2100 2.2107 2.7897 2.7919 2.7927 2.7935 3.5367 3.5373 3.5623 3.5625 3.7241 3.7262 3.7346 3.7374 3.7611 3.7615 5.2244 5.2247 5.4044 5.4206 5.4911 5.4937 5.7445 5.7691 5.7766 5.7935 5.8736 5.8995 5.9420 5.9460 7.2975 7.2992 7.3239 7.3246 7.4765 7.4766 9.4123 9.4140 9.5304 9.5307 10.7793 10.7795 11.7778 11.7778 11.7847 11.7852 k = 0.0000 0.0000 0.0403 ( 4933 PWs) bands (ev): -7.3916 -7.3916 -5.6917 -5.6909 -5.6764 -5.6760 -5.6715 -5.6715 0.2790 0.2792 1.4725 1.4760 1.9838 1.9884 2.1887 2.1888 2.2066 2.2074 2.7953 2.7997 2.8040 2.8054 3.5336 3.5347 3.5591 3.5596 3.7195 3.7239 3.7331 3.7374 3.7629 3.7632 5.2256 5.2263 5.3970 5.4293 5.4908 5.4958 5.7283 5.7676 5.7711 5.8060 5.8636 5.9123 5.9451 5.9514 7.2855 7.2891 7.3187 7.3199 7.4723 7.4723 9.4248 9.4281 9.5502 9.5508 10.7918 10.7922 11.7752 11.7752 11.7820 11.7830 k = 0.0000 0.0000 0.0604 ( 4929 PWs) bands (ev): -7.3873 -7.3873 -5.6920 -5.6907 -5.6797 -5.6791 -5.6748 -5.6748 0.2830 0.2833 1.4668 1.4721 1.9756 1.9821 2.1846 2.1859 2.2033 2.2034 2.8040 2.8106 2.8223 2.8243 3.5281 3.5295 3.5549 3.5556 3.7113 3.7175 3.7324 3.7375 3.7653 3.7673 5.2276 5.2290 5.3904 5.4381 5.4911 5.4985 5.7119 5.7568 5.7671 5.8176 5.8587 5.9224 5.9533 5.9585 7.2633 7.2683 7.3141 7.3160 7.4650 7.4653 9.4457 9.4504 9.5825 9.5833 10.8130 10.8136 11.7707 11.7710 11.7780 11.7797 k = 0.0000 0.0000 0.0805 ( 4929 PWs) bands (ev): -7.3813 -7.3813 -5.6926 -5.6905 -5.6843 -5.6832 -5.6793 -5.6793 0.2885 0.2889 1.4588 1.4656 1.9632 1.9711 2.1798 2.1838 2.2008 2.2031 2.8144 2.8230 2.8465 2.8490 3.5202 3.5215 3.5505 3.5513 3.6996 3.7066 3.7326 3.7386 3.7688 3.7732 5.2304 5.2327 5.3846 5.4470 5.4920 5.5016 5.6957 5.7444 5.7594 5.8215 5.8638 5.9297 5.9666 5.9669 7.2319 7.2379 7.3102 7.3129 7.4548 7.4555 9.4742 9.4802 9.6260 9.6270 10.8430 10.8438 11.7645 11.7650 11.7732 11.7754 k = 0.0000 0.0000 0.1006 ( 4937 PWs) bands (ev): -7.3736 -7.3736 -5.6945 -5.6918 -5.6891 -5.6877 -5.6847 -5.6846 0.2956 0.2961 1.4480 1.4562 1.9459 1.9547 2.1756 2.1823 2.2035 2.2078 2.8247 2.8353 2.8752 2.8780 3.5103 3.5110 3.5464 3.5471 3.6842 3.6916 3.7333 3.7403 3.7735 3.7805 5.2340 5.2375 5.3799 5.4561 5.4937 5.5052 5.6802 5.7310 5.7491 5.8179 5.8778 5.9357 5.9764 5.9829 7.1936 7.2000 7.3063 7.3100 7.4418 7.4430 9.5095 9.5165 9.6793 9.6804 10.8821 10.8832 11.7569 11.7577 11.7677 11.7704 k = 0.0000 0.0000 0.1208 ( 4929 PWs) bands (ev): -7.3643 -7.3642 -5.6994 -5.6982 -5.6934 -5.6934 -5.6880 -5.6879 0.3039 0.3046 1.4339 1.4433 1.9241 1.9331 2.1735 2.1819 2.2133 2.2183 2.8329 2.8454 2.9073 2.9104 3.4994 3.4995 3.5425 3.5431 3.6653 3.6731 3.7346 3.7427 3.7796 3.7889 5.2382 5.2436 5.3764 5.4653 5.4961 5.5093 5.6654 5.7172 5.7376 5.8115 5.8956 5.9419 5.9869 6.0007 7.1499 7.1566 7.3022 7.3069 7.4261 7.4280 9.5505 9.5583 9.7409 9.7420 10.9305 10.9319 11.7483 11.7494 11.7619 11.7650 k = 0.0000 0.0000 0.1409 ( 4933 PWs) bands (ev): -7.3532 -7.3532 -5.7070 -5.7065 -5.7014 -5.7011 -5.6889 -5.6880 0.3135 0.3143 1.4164 1.4266 1.8984 1.9072 2.1749 2.1842 2.2296 2.2343 2.8372 2.8516 2.9418 2.9450 3.4881 3.4894 3.5387 3.5391 3.6432 3.6514 3.7363 3.7455 3.7866 3.7981 5.2430 5.2508 5.3742 5.4747 5.4994 5.5138 5.6515 5.7034 5.7254 5.8039 5.9147 5.9488 5.9982 6.0192 7.1025 7.1091 7.2977 7.3035 7.4079 7.4104 9.5960 9.6042 9.8091 9.8102 10.9885 10.9902 11.7391 11.7405 11.7560 11.7594 k = 0.0000 0.0000 0.1610 ( 4931 PWs) bands (ev): -7.3405 -7.3405 -5.7162 -5.7161 -5.7107 -5.7102 -5.6892 -5.6878 0.3242 0.3250 1.3952 1.4060 1.8701 1.8783 2.1809 2.1904 2.2512 2.2553 2.8358 2.8519 2.9777 2.9810 3.4786 3.4811 3.5346 3.5348 3.6181 3.6269 3.7384 3.7488 3.7946 3.8079 5.2483 5.2593 5.3735 5.4842 5.5035 5.5187 5.6387 5.6900 5.7131 5.7959 5.9344 5.9566 6.0103 6.0380 7.0529 7.0591 7.2927 7.2998 7.3875 7.3905 9.6448 9.6532 9.8824 9.8835 11.0563 11.0582 11.7298 11.7317 11.7502 11.7539 k = 0.0000 0.0000 0.1811 ( 4933 PWs) bands (ev): -7.3262 -7.3262 -5.7268 -5.7265 -5.7211 -5.7205 -5.6893 -5.6876 0.3357 0.3367 1.3705 1.3815 1.8402 1.8477 2.1918 2.2013 2.2775 2.2807 2.8276 2.8450 3.0143 3.0176 3.4724 3.4760 3.5292 3.5304 3.5906 3.6006 3.7411 3.7526 3.8033 3.8181 5.2541 5.2691 5.3742 5.4937 5.5085 5.5238 5.6273 5.6774 5.7012 5.7875 5.9544 5.9653 6.0232 6.0569 7.0022 7.0077 7.2869 7.2955 7.3653 7.3686 9.6959 9.7042 9.9595 9.9605 11.1337 11.1359 11.7209 11.7232 11.7448 11.7487 k = 0.0000 0.0000 0.2013 ( 4933 PWs) bands (ev): -7.3103 -7.3102 -5.7385 -5.7380 -5.7324 -5.7316 -5.6896 -5.6875 0.3478 0.3490 1.3424 1.3534 1.8096 1.8164 2.2076 2.2168 2.3076 2.3097 2.8120 2.8304 3.0512 3.0543 3.4700 3.4748 3.5206 3.5238 3.5626 3.5748 3.7442 3.7569 3.8124 3.8284 5.2601 5.2799 5.3767 5.5028 5.5143 5.5290 5.6176 5.6661 5.6899 5.7789 5.9744 5.9752 6.0368 6.0757 6.9516 6.9560 7.2800 7.2903 7.3420 7.3453 9.7483 9.7563 10.0391 10.0400 11.2206 11.2229 11.7128 11.7155 11.7401 11.7441 k = 0.0000 0.0000 0.2214 ( 4939 PWs) bands (ev): -7.2927 -7.2927 -5.7512 -5.7504 -5.7445 -5.7437 -5.6899 -5.6876 0.3605 0.3618 1.3113 1.3222 1.7794 1.7854 2.2279 2.2366 2.3406 2.3416 2.7891 2.8082 3.0877 3.0906 3.4718 3.4776 3.5042 3.5088 3.5413 3.5546 3.7479 3.7617 3.8218 3.8386 5.2663 5.2917 5.3810 5.5111 5.5211 5.5343 5.6100 5.6566 5.6797 5.7703 5.9861 5.9945 6.0511 6.0943 6.9020 6.9050 7.2709 7.2835 7.3188 7.3216 9.8013 9.8089 10.1201 10.1210 11.3163 11.3185 11.7060 11.7092 11.7365 11.7405 k = 0.0000 0.0000 0.2415 ( 4935 PWs) bands (ev): -7.2737 -7.2736 -5.7647 -5.7637 -5.7575 -5.7565 -5.6905 -5.6879 0.3732 0.3747 1.2776 1.2883 1.7502 1.7554 2.2522 2.2603 2.3752 2.3755 2.7602 2.7797 3.1234 3.1259 3.4738 3.4764 3.4835 3.4848 3.5321 3.5434 3.7521 3.7670 3.8312 3.8484 5.2727 5.3041 5.3873 5.5175 5.5290 5.5394 5.6050 5.6497 5.6708 5.7617 5.9981 6.0145 6.0661 6.1123 6.8542 6.8554 7.2569 7.2716 7.2988 7.3014 9.8544 9.8615 10.2015 10.2023 11.4196 11.4216 11.7009 11.7044 11.7345 11.7385 k = 0.0000 0.0000 0.2617 ( 4941 PWs) bands (ev): -7.2531 -7.2530 -5.7789 -5.7778 -5.7711 -5.7699 -5.6913 -5.6885 0.3859 0.3876 1.2419 1.2521 1.7228 1.7271 2.2797 2.2870 2.4086 2.4104 2.7277 2.7475 3.1581 3.1599 3.4428 3.4434 3.4879 3.4939 3.5281 3.5378 3.7568 3.7729 3.8405 3.8578 5.2790 5.3167 5.3958 5.5211 5.5378 5.5443 5.6025 5.6465 5.6635 5.7532 6.0112 6.0344 6.0815 6.1296 6.8080 6.8089 7.2359 7.2505 7.2846 7.2889 9.9073 9.9138 10.2824 10.2831 11.5283 11.5297 11.6977 11.7016 11.7352 11.7393 k = 0.0000 0.0000 0.2818 ( 4947 PWs) bands (ev): -7.2310 -7.2309 -5.7939 -5.7926 -5.7853 -5.7840 -5.6925 -5.6895 0.3982 0.4000 1.2045 1.2144 1.6977 1.7010 2.3092 2.3158 2.4383 2.4416 2.6961 2.7160 3.1914 3.1920 3.4061 3.4070 3.4990 3.5056 3.5258 3.5347 3.7621 3.7792 3.8494 3.8664 5.2853 5.3290 5.4067 5.5215 5.5474 5.5487 5.6013 5.6490 5.6580 5.7450 6.0254 6.0541 6.0972 6.1460 6.7633 6.7667 7.2095 7.2237 7.2747 7.2813 9.9598 9.9657 10.3620 10.3627 11.6345 11.6345 11.6970 11.7010 11.7447 11.7490 k = 0.0000 0.0000 0.3019 ( 4941 PWs) bands (ev): -7.2075 -7.2074 -5.8094 -5.8080 -5.8000 -5.7986 -5.6941 -5.6909 0.4098 0.4117 1.1661 1.1754 1.6754 1.6778 2.3395 2.3454 2.4573 2.4615 2.6741 2.6933 3.2213 3.2229 3.3688 3.3712 3.5113 3.5187 3.5250 3.5332 3.7679 3.7861 3.8578 3.8741 5.2916 5.3405 5.4201 5.5192 5.5525 5.5577 5.5997 5.6546 5.6585 5.7372 6.0407 6.0736 6.1131 6.1611 6.7218 6.7282 7.1807 7.1950 7.2668 7.2751 10.0119 10.0171 10.4395 10.4404 11.6952 11.6994 11.7021 11.7031 11.7982 11.8020 k = 0.0000 0.0000 0.3220 ( 4941 PWs) bands (ev): -7.1826 -7.1824 -5.8254 -5.8240 -5.8150 -5.8136 -5.6962 -5.6928 0.4204 0.4225 1.1268 1.1357 1.6564 1.6577 2.3693 2.3745 2.4559 2.4591 2.6736 2.6900 3.2457 3.2520 3.3328 3.3392 3.5214 3.5282 3.5317 3.5336 3.7743 3.7934 3.8654 3.8806 5.2977 5.3511 5.4354 5.5151 5.5556 5.5684 5.5975 5.6535 5.6744 5.7302 6.0569 6.0926 6.1291 6.1747 6.6839 6.6937 7.1510 7.1658 7.2597 7.2693 10.0637 10.0682 10.5144 10.5154 11.7019 11.7072 11.7135 11.7136 11.8992 11.9013 k = 0.0000 0.0000 0.3422 ( 4941 PWs) bands (ev): -7.1564 -7.1561 -5.8419 -5.8403 -5.8304 -5.8289 -5.6988 -5.6953 0.4298 0.4319 1.0872 1.0956 1.6411 1.6412 2.3966 2.4013 2.4311 2.4322 2.6975 2.7099 3.2582 3.2753 3.3028 3.3192 3.5244 3.5336 3.5399 3.5465 3.7812 3.8012 3.8721 3.8857 5.3036 5.3607 5.4519 5.5099 5.5584 5.5790 5.5957 5.6545 5.6952 5.7245 6.0739 6.1109 6.1451 6.1866 6.6500 6.6636 7.1214 7.1370 7.2530 7.2637 10.1152 10.1192 10.5860 10.5871 11.7088 11.7134 11.7159 11.7174 11.9908 11.9929 k = 0.0000 0.0000 0.3623 ( 4939 PWs) bands (ev): -7.1288 -7.1285 -5.8586 -5.8570 -5.8460 -5.8445 -5.7021 -5.6984 0.4376 0.4398 1.0475 1.0553 1.6286 1.6297 2.3899 2.3903 2.4202 2.4239 2.7370 2.7463 3.2494 3.2642 3.3089 3.3221 3.5275 3.5361 3.5526 3.5599 3.7885 3.8093 3.8777 3.8895 5.3094 5.3694 5.4682 5.5042 5.5613 5.5869 5.5972 5.6571 5.7198 5.7209 6.0917 6.1278 6.1615 6.1965 6.6204 6.6381 7.0926 7.1093 7.2464 7.2581 10.1668 10.1701 10.6536 10.6551 11.7119 11.7137 11.7198 11.7255 12.0367 12.0425 k = 0.0000 0.0000 0.3824 ( 4939 PWs) bands (ev): -7.1000 -7.0996 -5.8755 -5.8739 -5.8616 -5.8601 -5.7060 -5.7022 0.4437 0.4460 1.0079 1.0153 1.6198 1.6223 2.3414 2.3416 2.4366 2.4400 2.7848 2.7918 3.2329 3.2424 3.3288 3.3357 3.5325 3.5404 3.5648 3.5726 3.7962 3.8177 3.8820 3.8917 5.3149 5.3775 5.4829 5.4984 5.5649 5.5882 5.6059 5.6602 5.7210 5.7476 6.1100 6.1426 6.1788 6.2043 6.5952 6.6174 7.0654 7.0834 7.2400 7.2525 10.2185 10.2212 10.7166 10.7185 11.7037 11.7067 11.7320 11.7380 12.0351 12.0458 k = 0.0000 0.0000 0.4025 ( 4931 PWs) bands (ev): -7.0699 -7.0696 -5.8926 -5.8910 -5.8774 -5.8759 -5.7108 -5.7068 0.4480 0.4503 0.9687 0.9757 1.6149 1.6191 2.2895 2.2905 2.4446 2.4476 2.8369 2.8425 3.2211 3.2279 3.3462 3.3490 3.5399 3.5470 3.5762 3.5845 3.8041 3.8261 3.8850 3.8923 5.3203 5.3850 5.4925 5.4947 5.5694 5.5878 5.6168 5.6621 5.7272 5.7782 6.1285 6.1547 6.1972 6.2101 6.5744 6.6015 7.0402 7.0598 7.2336 7.2469 10.2706 10.2727 10.7743 10.7767 11.6866 11.6907 11.7468 11.7529 12.0178 12.0316 k = 0.0000 0.0000 0.4227 ( 4919 PWs) bands (ev): -7.0388 -7.0383 -5.9097 -5.9081 -5.8930 -5.8915 -5.7163 -5.7123 0.4503 0.4526 0.9301 0.9366 1.6136 1.6197 2.2372 2.2395 2.4424 2.4451 2.8917 2.8961 3.2178 3.2229 3.3592 3.3597 3.5499 3.5562 3.5866 3.5954 3.8121 3.8346 3.8866 3.8912 5.3255 5.3919 5.4868 5.5031 5.5746 5.5878 5.6276 5.6616 5.7410 5.8112 6.1470 6.1639 6.2141 6.2166 6.5579 6.5903 7.0177 7.0391 7.2272 7.2412 10.3231 10.3248 10.8260 10.8289 11.6579 11.6626 11.7637 11.7699 12.0037 12.0173 k = 0.0000 0.0000 0.4428 ( 4919 PWs) bands (ev): -7.0066 -7.0060 -5.9268 -5.9252 -5.9085 -5.9071 -5.7228 -5.7187 0.4508 0.4531 0.8923 0.8984 1.6154 1.6238 2.1862 2.1905 2.4294 2.4318 2.9479 2.9514 3.2243 3.2280 3.3656 3.3690 3.5624 3.5680 3.5961 3.6053 3.8201 3.8428 3.8867 3.8886 5.3305 5.3984 5.4811 5.5087 5.5797 5.5883 5.6377 5.6590 5.7619 5.8463 6.1647 6.1703 6.2171 6.2369 6.5456 6.5837 6.9983 7.0218 7.2209 7.2356 10.3763 10.3774 10.8707 10.8743 11.6166 11.6211 11.7823 11.7883 11.9949 12.0051 k = 0.0000 0.0000 0.4629 ( 4931 PWs) bands (ev): -6.9733 -6.9727 -5.9438 -5.9422 -5.9238 -5.9224 -5.7303 -5.7262 0.4495 0.4518 0.8553 0.8610 1.6196 1.6305 2.1384 2.1449 2.4061 2.4082 3.0049 3.0076 3.2400 3.2426 3.3681 3.3741 3.5771 3.5822 3.6047 3.6142 3.8279 3.8506 3.8847 3.8853 5.3352 5.4044 5.4755 5.5124 5.5839 5.5896 5.6469 5.6552 5.7888 5.8832 6.1740 6.1800 6.2207 6.2578 6.5371 6.5815 6.9824 7.0080 7.2147 7.2299 10.4302 10.4309 10.9075 10.9117 11.5639 11.5678 11.8018 11.8074 11.9830 11.9936 k = 0.0000 0.0000 0.4831 ( 4923 PWs) bands (ev): -6.9392 -6.9385 -5.9606 -5.9591 -5.9388 -5.9374 -5.7388 -5.7346 0.4466 0.4488 0.8194 0.8247 1.6250 1.6388 2.0953 2.1046 2.3738 2.3756 3.0621 3.0641 3.2635 3.2650 3.3672 3.3755 3.5932 3.5984 3.6126 3.6224 3.8354 3.8573 3.8802 3.8826 5.3398 5.4100 5.4702 5.5150 5.5871 5.5916 5.6509 5.6551 5.8201 5.9215 6.1751 6.1897 6.2287 6.2793 6.5326 6.5835 6.9703 6.9981 7.2086 7.2243 10.4850 10.4852 10.9354 10.9402 11.5021 11.5053 11.8219 11.8267 11.9749 11.9839 k = 0.0000 0.0000 0.5032 ( 4927 PWs) bands (ev): -6.9042 -6.9034 -5.9772 -5.9757 -5.9533 -5.9520 -5.7484 -5.7442 0.4424 0.4445 0.7846 0.7895 1.6299 1.6469 2.0591 2.0714 2.3342 2.3356 3.1190 3.1204 3.2924 3.2927 3.3635 3.3740 3.6093 3.6157 3.6210 3.6300 3.8425 3.8608 3.8771 3.8788 5.3442 5.4153 5.4650 5.5171 5.5894 5.5943 5.6464 5.6622 5.8544 5.9608 6.1737 6.1920 6.2430 6.3014 6.5318 6.5894 6.9621 6.9921 7.2026 7.2189 10.5405 10.5407 10.9531 10.9585 11.4336 11.4361 11.8424 11.8459 11.9724 11.9794 k = 0.0000 0.0000 0.5233 ( 4931 PWs) bands (ev): -6.8684 -6.8676 -5.9935 -5.9921 -5.9674 -5.9661 -5.7591 -5.7549 0.4371 0.4391 0.7509 0.7556 1.6325 1.6526 2.0320 2.0473 2.2890 2.2901 3.1751 3.1760 3.3213 3.3224 3.3595 3.3724 3.6211 3.6312 3.6336 3.6398 3.8488 3.8579 3.8742 3.8790 5.3484 5.4203 5.4600 5.5190 5.5910 5.5977 5.6419 5.6681 5.8905 6.0003 6.1700 6.1894 6.2615 6.3242 6.5349 6.5992 6.9575 6.9896 7.1967 7.2134 10.5968 10.5973 10.9599 10.9657 11.3601 11.3620 11.8640 11.8658 11.9751 11.9797 k = 0.0000 0.0000 0.5434 ( 4933 PWs) bands (ev): -6.8320 -6.8311 -6.0094 -6.0081 -5.9808 -5.9796 -5.7710 -5.7669 0.4309 0.4329 0.7186 0.7229 1.6310 1.6537 2.0164 2.0342 2.2399 2.2405 3.2301 3.2303 3.3349 3.3372 3.3724 3.3827 3.6280 3.6393 3.6509 3.6566 3.8510 3.8537 3.8697 3.8838 5.3524 5.4252 5.4552 5.5209 5.5924 5.6018 5.6377 5.6732 5.9271 6.0390 6.1641 6.1840 6.2829 6.3482 6.5419 6.6125 6.9564 6.9904 7.1911 7.2082 10.6540 10.6550 10.9553 10.9613 11.2829 11.2845 11.8876 11.8877 11.9816 11.9837 k = 0.0000 0.0000 0.5636 ( 4925 PWs) bands (ev): -6.7950 -6.7939 -6.0250 -6.0238 -5.9937 -5.9926 -5.7841 -5.7800 0.4242 0.4261 0.6876 0.6916 1.6244 1.6485 2.0140 2.0331 2.1883 2.1884 3.2823 3.2830 3.3259 3.3323 3.4051 3.4118 3.6334 3.6447 3.6691 3.6755 3.8432 3.8550 3.8679 3.8890 5.3562 5.4302 5.4507 5.5226 5.5939 5.6065 5.6339 5.6775 5.9630 6.0757 6.1565 6.1767 6.3073 6.3738 6.5530 6.6291 6.9585 6.9942 7.1855 7.2031 10.7122 10.7135 10.9392 10.9452 11.2031 11.2045 11.9132 11.9147 11.9897 11.9899 k = 0.0000 0.0000 0.5837 ( 4931 PWs) bands (ev): -6.7575 -6.7563 -6.0401 -6.0390 -6.0058 -6.0048 -5.7984 -5.7944 0.4173 0.4191 0.6580 0.6617 1.6128 1.6370 2.0247 2.0438 2.1348 2.1351 3.3050 3.3132 3.3381 3.3392 3.4400 3.4460 3.6383 3.6493 3.6871 3.6940 3.8357 3.8518 3.8702 3.8938 5.3598 5.4353 5.4462 5.5241 5.5959 5.6117 5.6304 5.6814 5.9969 6.1087 6.1475 6.1681 6.3352 6.4016 6.5680 6.6487 6.9632 7.0005 7.1801 7.1981 10.7712 10.7729 10.9122 10.9181 11.1216 11.1230 11.9434 11.9462 11.9957 11.9978 k = 0.0000 0.0000 0.6038 ( 4927 PWs) bands (ev): -6.7196 -6.7184 -6.0548 -6.0539 -6.0172 -6.0162 -5.8139 -5.8100 0.4105 0.4121 0.6298 0.6332 1.5974 1.6209 2.0467 2.0648 2.0808 2.0814 3.2865 3.2956 3.3853 3.3867 3.4737 3.4803 3.6429 3.6534 3.7044 3.7112 3.8298 3.8475 3.8738 3.8981 5.3633 5.4408 5.4420 5.5253 5.5985 5.6175 5.6276 5.6852 6.0276 6.1366 6.1377 6.1587 6.3677 6.4321 6.5866 6.6709 6.9702 7.0087 7.1749 7.1934 10.8301 10.8326 10.8758 10.8811 11.0398 11.0412 11.9788 11.9824 12.0001 12.0036 k = 0.0000 0.0000 0.6239 ( 4923 PWs) bands (ev): -6.6815 -6.6801 -6.0691 -6.0683 -6.0277 -6.0268 -5.8306 -5.8268 0.4039 0.4054 0.6031 0.6062 1.5800 1.6021 2.0264 2.0279 2.0780 2.0950 3.2628 3.2720 3.4314 3.4336 3.5049 3.5128 3.6476 3.6571 3.7202 3.7259 3.8268 3.8443 3.8773 3.9018 5.3666 5.4379 5.4468 5.5261 5.6018 5.6238 5.6254 5.6889 6.0539 6.1277 6.1481 6.1593 6.4050 6.4659 6.6083 6.6952 6.9789 7.0185 7.1698 7.1887 10.8298 10.8356 10.8864 10.8884 10.9629 10.9641 12.0015 12.0060 12.0190 12.0233 k = 0.0000 0.0000 0.6441 ( 4899 PWs) bands (ev): -6.6433 -6.6417 -6.0829 -6.0823 -6.0372 -6.0364 -5.8484 -5.8448 0.3978 0.3993 0.5779 0.5808 1.5621 1.5828 1.9731 1.9752 2.1163 2.1318 3.2353 3.2442 3.4746 3.4779 3.5329 3.5427 3.6525 3.6606 3.7339 3.7367 3.8280 3.8432 3.8803 3.9049 5.3698 5.4341 5.4532 5.5265 5.6057 5.6242 5.6305 5.6929 6.0746 6.1185 6.1386 6.1752 6.4467 6.5031 6.6326 6.7211 6.9889 7.0294 7.1648 7.1843 10.7787 10.7837 10.8641 10.8662 10.9646 10.9665 11.9991 12.0042 12.0634 12.0682 k = 0.0000 0.0000 0.6642 ( 4907 PWs) bands (ev): -6.6050 -6.6033 -6.0964 -6.0960 -6.0457 -6.0451 -5.8672 -5.8638 0.3924 0.3938 0.5542 0.5568 1.5451 1.5643 1.9211 1.9237 2.1600 2.1740 3.2039 3.2123 3.5140 3.5189 3.5572 3.5695 3.6582 3.6642 3.7432 3.7450 3.8339 3.8449 3.8828 3.9074 5.3727 5.4303 5.4599 5.5264 5.6099 5.6241 5.6376 5.6970 6.0867 6.1131 6.1293 6.1856 6.4915 6.5433 6.6586 6.7478 6.9998 7.0411 7.1598 7.1799 10.7227 10.7272 10.7871 10.7892 11.0238 11.0261 11.9921 11.9976 12.1112 12.1164 k = 0.0000 0.0000 0.6843 ( 4899 PWs) bands (ev): -6.5669 -6.5651 -6.1097 -6.1095 -6.0531 -6.0526 -5.8869 -5.8837 0.3878 0.3891 0.5320 0.5344 1.5300 1.5477 1.8708 1.8740 2.2080 2.2205 3.1688 3.1767 3.5489 3.5560 3.5776 3.5929 3.6654 3.6681 3.7463 3.7536 3.8436 3.8495 3.8848 3.9093 5.3755 5.4267 5.4669 5.5261 5.6139 5.6255 5.6450 5.7013 6.0869 6.1153 6.1210 6.1915 6.5381 6.5861 6.6856 6.7748 7.0113 7.0532 7.1548 7.1757 10.6639 10.6679 10.7096 10.7119 11.0866 11.0892 11.9803 11.9859 12.1614 12.1671 k = 0.0000 0.0000 0.7045 ( 4901 PWs) bands (ev): -6.5291 -6.5271 -6.1228 -6.1227 -6.0593 -6.0589 -5.9073 -5.9044 0.3843 0.3855 0.5113 0.5136 1.5174 1.5339 1.8227 1.8265 2.2592 2.2705 3.1300 3.1373 3.5779 3.5884 3.5942 3.6128 3.6731 3.6750 3.7478 3.7599 3.8552 3.8562 3.8863 3.9107 5.3782 5.4232 5.4738 5.5254 5.6174 5.6285 5.6526 5.7055 6.0813 6.1141 6.1200 6.1933 6.5850 6.6302 6.7128 6.8013 7.0229 7.0654 7.1497 7.1716 10.6044 10.6079 10.6353 10.6378 11.1504 11.1533 11.9632 11.9688 12.2129 12.2192 k = 0.0000 0.0000 0.7246 ( 4907 PWs) bands (ev): -6.4917 -6.4896 -6.1362 -6.1359 -6.0643 -6.0640 -5.9282 -5.9256 0.3818 0.3830 0.4922 0.4943 1.5079 1.5232 1.7770 1.7814 2.3129 2.3231 3.0878 3.0946 3.5997 3.6074 3.6144 3.6291 3.6806 3.6879 3.7491 3.7650 3.8639 3.8670 3.8874 3.9117 5.3809 5.4198 5.4806 5.5245 5.6204 5.6326 5.6603 5.7094 6.0754 6.1091 6.1224 6.1919 6.6309 6.6745 6.7392 6.8263 7.0346 7.0773 7.1445 7.1676 10.5460 10.5490 10.5658 10.5684 11.2148 11.2179 11.9409 11.9463 12.2648 12.2717 k = 0.0000 0.0000 0.7447 ( 4905 PWs) bands (ev): -6.4551 -6.4528 -6.1499 -6.1493 -6.0678 -6.0676 -5.9492 -5.9469 0.3805 0.3817 0.4747 0.4765 1.5018 1.5161 1.7340 1.7391 2.3686 2.3778 3.0424 3.0486 3.6136 3.6184 3.6326 3.6415 3.6922 3.7041 3.7510 3.7696 3.8715 3.8779 3.8882 3.9124 5.3835 5.4165 5.4871 5.5235 5.6237 5.6370 5.6680 5.7127 6.0708 6.1061 6.1220 6.1877 6.6745 6.7179 6.7640 6.8492 7.0459 7.0888 7.1392 7.1637 10.4906 10.4932 10.5023 10.5050 11.2792 11.2825 11.9133 11.9185 12.3160 12.3236 k = 0.0000 0.0000 0.7648 ( 4899 PWs) bands (ev): -6.4193 -6.4169 -6.1644 -6.1634 -6.0698 -6.0697 -5.9698 -5.9679 0.3805 0.3816 0.4586 0.4603 1.4994 1.5127 1.6942 1.6999 2.4258 2.4341 2.9941 2.9998 3.6218 3.6270 3.6440 3.6497 3.7073 3.7217 3.7538 3.7738 3.8780 3.8874 3.8889 3.9129 5.3860 5.4133 5.4930 5.5222 5.6273 5.6410 5.6757 5.7151 6.0681 6.1055 6.1189 6.1814 6.7145 6.7591 6.7862 6.8690 7.0568 7.0996 7.1336 7.1599 10.4399 10.4423 10.4461 10.4488 11.3435 11.3470 11.8804 11.8855 12.3653 12.3737 k = 0.0000 0.0000 0.7850 ( 4891 PWs) bands (ev): -6.3846 -6.3821 -6.1800 -6.1787 -6.0701 -6.0700 -5.9897 -5.9881 0.3819 0.3829 0.4441 0.4457 1.5010 1.5133 1.6576 1.6639 2.4841 2.4916 2.9431 2.9486 3.6272 3.6325 3.6511 3.6547 3.7232 3.7387 3.7571 3.7776 3.8831 3.8896 3.8951 3.9133 5.3886 5.4103 5.4982 5.5208 5.6312 5.6442 5.6832 5.7164 6.0675 6.1073 6.1138 6.1734 6.7499 6.7967 6.8051 6.8849 7.0670 7.1095 7.1278 7.1560 10.3957 10.3979 10.3983 10.4011 11.4072 11.4108 11.8426 11.8474 12.4115 12.4211 k = 0.0000 0.0000 0.8051 ( 4895 PWs) bands (ev): -6.3513 -6.3488 -6.1973 -6.1956 -6.0685 -6.0684 -6.0081 -6.0070 0.3846 0.3856 0.4311 0.4326 1.5065 1.5180 1.6244 1.6315 2.5431 2.5499 2.8898 2.8951 3.6311 3.6357 3.6553 3.6577 3.7372 3.7536 3.7601 3.7806 3.8864 3.8904 3.9011 3.9134 5.3911 5.4073 5.5028 5.5192 5.6352 5.6463 5.6904 5.7163 6.0690 6.1072 6.1113 6.1642 6.7796 6.8195 6.8297 6.8960 7.0765 7.1183 7.1216 7.1522 10.3594 10.3601 10.3616 10.3628 11.4699 11.4737 11.8000 11.8046 12.4538 12.4645 k = 0.0000 0.0000 0.8252 ( 4902 PWs) bands (ev): -6.3198 -6.3172 -6.2167 -6.2147 -6.0647 -6.0647 -6.0246 -6.0238 0.3887 0.3898 0.4197 0.4210 1.5161 1.5268 1.5950 1.6027 2.6023 2.6086 2.8347 2.8399 3.6339 3.6372 3.6579 3.6593 3.7484 3.7622 3.7656 3.7824 3.8884 3.8912 3.9055 3.9132 5.3936 5.4044 5.5067 5.5173 5.6390 5.6471 5.6970 5.7149 6.0725 6.0997 6.1173 6.1543 6.8031 6.8289 6.8573 6.9014 7.0853 7.1152 7.1261 7.1481 10.3322 10.3324 10.3345 10.3348 11.5313 11.5352 11.7530 11.7575 12.4913 12.5032 k = 0.0000 0.0000 0.8453 ( 4910 PWs) bands (ev): -6.2903 -6.2877 -6.2386 -6.2363 -6.0586 -6.0585 -6.0386 -6.0381 0.3942 0.3953 0.4097 0.4109 1.5298 1.5397 1.5693 1.5777 2.6614 2.6672 2.7780 2.7833 3.6359 3.6376 3.6593 3.6601 3.7563 3.7627 3.7743 3.7823 3.8898 3.8913 3.9088 3.9124 5.3962 5.4016 5.5100 5.5152 5.6423 5.6466 5.7030 5.7121 6.0778 6.0919 6.1251 6.1441 6.8197 6.8324 6.8785 6.9005 7.0935 7.1083 7.1328 7.1436 10.3153 10.3156 10.3177 10.3179 11.5908 11.5949 11.7022 11.7065 12.5237 12.5367 k = 0.0000 0.0000 0.8655 ( 4926 PWs) bands (ev): -6.2632 -6.2632 -6.2607 -6.2607 -6.0500 -6.0500 -6.0497 -6.0497 0.4012 0.4012 0.4024 0.4024 1.5475 1.5475 1.5567 1.5567 2.7201 2.7201 2.7256 2.7256 3.6371 3.6371 3.6600 3.6600 3.7609 3.7609 3.7797 3.7797 3.8908 3.8908 3.9110 3.9110 5.3988 5.3988 5.5127 5.5127 5.6450 5.6450 5.7080 5.7080 6.0844 6.0844 6.1341 6.1341 6.8294 6.8294 6.8929 6.8929 7.1011 7.1011 7.1386 7.1386 10.3098 10.3098 10.3121 10.3121 11.6479 11.6479 11.6521 11.6521 12.5510 12.5510 k = 0.0000 0.0000 0.8655 ( 4926 PWs) bands (ev): -6.2632 -6.2632 -6.2607 -6.2607 -6.0500 -6.0500 -6.0497 -6.0497 0.4012 0.4012 0.4024 0.4024 1.5475 1.5475 1.5567 1.5567 2.7201 2.7201 2.7256 2.7256 3.6371 3.6371 3.6600 3.6600 3.7609 3.7609 3.7797 3.7797 3.8908 3.8908 3.9110 3.9110 5.3988 5.3988 5.5127 5.5127 5.6450 5.6450 5.7080 5.7080 6.0844 6.0844 6.1341 6.1341 6.8294 6.8294 6.8929 6.8929 7.1011 7.1011 7.1386 7.1386 10.3098 10.3098 10.3121 10.3121 11.6479 11.6479 11.6521 11.6521 12.5510 12.5510 k =-0.0114 0.0161 0.8655 ( 4910 PWs) bands (ev): -6.2631 -6.2631 -6.2607 -6.2607 -6.0502 -6.0502 -6.0500 -6.0500 0.4031 0.4031 0.4042 0.4042 1.5477 1.5477 1.5568 1.5568 2.7207 2.7207 2.7263 2.7263 3.6364 3.6364 3.6593 3.6593 3.7603 3.7603 3.7792 3.7792 3.8901 3.8901 3.9102 3.9102 5.3986 5.3986 5.5126 5.5126 5.6444 5.6444 5.7073 5.7073 6.0847 6.0847 6.1347 6.1347 6.8289 6.8289 6.8924 6.8924 7.0987 7.0987 7.1362 7.1362 10.3117 10.3117 10.3141 10.3141 11.6536 11.6536 11.6579 11.6579 12.5462 12.5462 k =-0.0228 0.0322 0.8655 ( 4906 PWs) bands (ev): -6.2631 -6.2631 -6.2606 -6.2606 -6.0510 -6.0510 -6.0507 -6.0507 0.4085 0.4085 0.4098 0.4098 1.5482 1.5482 1.5573 1.5573 2.7226 2.7226 2.7282 2.7282 3.6343 3.6343 3.6572 3.6572 3.7586 3.7586 3.7776 3.7776 3.8882 3.8882 3.9079 3.9079 5.3980 5.3980 5.5120 5.5120 5.6427 5.6427 5.7051 5.7051 6.0854 6.0854 6.1364 6.1364 6.8273 6.8273 6.8906 6.8906 7.0917 7.0917 7.1293 7.1293 10.3175 10.3175 10.3201 10.3201 11.6705 11.6705 11.6747 11.6747 12.5317 12.5317 k =-0.0342 0.0483 0.8655 ( 4902 PWs) bands (ev): -6.2630 -6.2630 -6.2607 -6.2607 -6.0522 -6.0522 -6.0518 -6.0518 0.4176 0.4176 0.4190 0.4190 1.5491 1.5491 1.5580 1.5580 2.7258 2.7258 2.7314 2.7314 3.6308 3.6308 3.6536 3.6536 3.7556 3.7556 3.7749 3.7749 3.8850 3.8850 3.9041 3.9041 5.3970 5.3970 5.5111 5.5111 5.6399 5.6399 5.7016 5.7016 6.0866 6.0866 6.1390 6.1390 6.8245 6.8245 6.8878 6.8878 7.0801 7.0801 7.1179 7.1179 10.3271 10.3271 10.3299 10.3299 11.6976 11.6976 11.7018 11.7018 12.5079 12.5079 k =-0.0455 0.0643 0.8655 ( 4908 PWs) bands (ev): -6.2632 -6.2632 -6.2608 -6.2608 -6.0537 -6.0537 -6.0531 -6.0531 0.4302 0.4302 0.4318 0.4318 1.5504 1.5504 1.5591 1.5591 2.7303 2.7303 2.7359 2.7359 3.6258 3.6258 3.6486 3.6486 3.7515 3.7515 3.7710 3.7710 3.8807 3.8807 3.8990 3.8990 5.3956 5.3956 5.5097 5.5097 5.6361 5.6361 5.6969 5.6969 6.0879 6.0879 6.1424 6.1424 6.8206 6.8206 6.8836 6.8836 7.0646 7.0646 7.1027 7.1027 10.3405 10.3405 10.3436 10.3436 11.7333 11.7333 11.7373 11.7373 12.4754 12.4754 k =-0.0569 0.0804 0.8655 ( 4908 PWs) bands (ev): -6.2636 -6.2636 -6.2613 -6.2613 -6.0553 -6.0553 -6.0546 -6.0546 0.4462 0.4462 0.4479 0.4479 1.5520 1.5520 1.5605 1.5605 2.7359 2.7359 2.7416 2.7416 3.6194 3.6194 3.6421 3.6421 3.7462 3.7462 3.7661 3.7661 3.8753 3.8753 3.8927 3.8927 5.3938 5.3938 5.5080 5.5080 5.6315 5.6315 5.6912 5.6912 6.0894 6.0894 6.1464 6.1464 6.8155 6.8155 6.8782 6.8782 7.0457 7.0457 7.0841 7.0841 10.3576 10.3576 10.3609 10.3609 11.7752 11.7752 11.7787 11.7787 12.4355 12.4355 k =-0.0683 0.0965 0.8655 ( 4910 PWs) bands (ev): -6.2645 -6.2645 -6.2624 -6.2624 -6.0567 -6.0567 -6.0559 -6.0559 0.4654 0.4654 0.4673 0.4673 1.5540 1.5540 1.5622 1.5622 2.7429 2.7429 2.7486 2.7486 3.6114 3.6114 3.6341 3.6341 3.7397 3.7397 3.7599 3.7599 3.8691 3.8691 3.8855 3.8855 5.3918 5.3918 5.5060 5.5060 5.6262 5.6262 5.6849 5.6849 6.0907 6.0907 6.1507 6.1507 6.8091 6.8091 6.8714 6.8714 7.0240 7.0240 7.0628 7.0628 10.3783 10.3783 10.3818 10.3818 11.8190 11.8190 11.8215 11.8215 12.3908 12.3908 k =-0.0797 0.1126 0.8655 ( 4912 PWs) bands (ev): -6.2661 -6.2661 -6.2641 -6.2641 -6.0578 -6.0578 -6.0568 -6.0568 0.4877 0.4877 0.4898 0.4898 1.5563 1.5563 1.5643 1.5643 2.7510 2.7510 2.7569 2.7569 3.6020 3.6020 3.6245 3.6245 3.7320 3.7320 3.7526 3.7526 3.8622 3.8622 3.8776 3.8776 5.3895 5.3895 5.5038 5.5038 5.6205 5.6205 5.6781 5.6781 6.0917 6.0917 6.1551 6.1551 6.8014 6.8014 6.8631 6.8631 7.0003 7.0003 7.0396 7.0396 10.4022 10.4022 10.4060 10.4060 11.8580 11.8580 11.8592 11.8592 12.3459 12.3459 k =-0.0911 0.1287 0.8655 ( 4908 PWs) bands (ev): -6.2687 -6.2687 -6.2668 -6.2668 -6.0582 -6.0582 -6.0570 -6.0570 0.5128 0.5128 0.5151 0.5151 1.5592 1.5592 1.5667 1.5667 2.7603 2.7603 2.7664 2.7664 3.5910 3.5910 3.6133 3.6133 3.7233 3.7233 3.7442 3.7442 3.8547 3.8547 3.8692 3.8692 5.3871 5.3871 5.5013 5.5013 5.6145 5.6145 5.6712 5.6712 6.0921 6.0921 6.1593 6.1593 6.7923 6.7923 6.8530 6.8530 6.9753 6.9753 7.0156 7.0156 10.4293 10.4293 10.4333 10.4333 11.8810 11.8810 11.8830 11.8830 12.3081 12.3081 k =-0.1025 0.1448 0.8655 ( 4908 PWs) bands (ev): -6.2725 -6.2725 -6.2708 -6.2708 -6.0576 -6.0576 -6.0563 -6.0563 0.5403 0.5403 0.5428 0.5428 1.5625 1.5625 1.5697 1.5697 2.7708 2.7708 2.7770 2.7770 3.5784 3.5784 3.6005 3.6005 3.7135 3.7135 3.7346 3.7346 3.8469 3.8469 3.8607 3.8607 5.3846 5.3846 5.4987 5.4987 5.6083 5.6083 5.6642 5.6642 6.0918 6.0918 6.1630 6.1630 6.7815 6.7815 6.8412 6.8412 6.9499 6.9499 6.9915 6.9915 10.4590 10.4590 10.4633 10.4633 11.8767 11.8767 11.8817 11.8817 12.2847 12.2847 k =-0.1139 0.1609 0.8655 ( 4922 PWs) bands (ev): -6.2776 -6.2776 -6.2761 -6.2761 -6.0558 -6.0558 -6.0544 -6.0544 0.5700 0.5700 0.5727 0.5727 1.5664 1.5664 1.5731 1.5731 2.7823 2.7823 2.7888 2.7888 3.5643 3.5643 3.5861 3.5861 3.7028 3.7028 3.7239 3.7239 3.8387 3.8387 3.8522 3.8522 5.3821 5.3821 5.4959 5.4959 5.6020 5.6020 5.6574 5.6574 6.0905 6.0905 6.1660 6.1660 6.7688 6.7688 6.8276 6.8276 6.9247 6.9247 6.9682 6.9682 10.4910 10.4911 10.4955 10.4955 11.8412 11.8412 11.8493 11.8493 12.2750 12.2750 k =-0.1252 0.1769 0.8655 ( 4928 PWs) bands (ev): -6.2842 -6.2842 -6.2828 -6.2828 -6.0526 -6.0526 -6.0511 -6.0511 0.6015 0.6015 0.6044 0.6044 1.5710 1.5710 1.5772 1.5772 2.7950 2.7950 2.8018 2.8018 3.5487 3.5487 3.5701 3.5701 3.6915 3.6915 3.7124 3.7124 3.8305 3.8305 3.8439 3.8439 5.3796 5.3796 5.4931 5.4931 5.5958 5.5958 5.6510 5.6510 6.0882 6.0882 6.1680 6.1680 6.7542 6.7542 6.8123 6.8123 6.9003 6.9003 6.9465 6.9465 10.5248 10.5248 10.5293 10.5293 11.7806 11.7806 11.7907 11.7907 12.2689 12.2689 k =-0.1252 0.1769 0.8655 ( 4928 PWs) bands (ev): -6.2842 -6.2842 -6.2828 -6.2828 -6.0526 -6.0526 -6.0511 -6.0511 0.6015 0.6015 0.6044 0.6044 1.5710 1.5710 1.5772 1.5772 2.7950 2.7950 2.8018 2.8018 3.5487 3.5487 3.5701 3.5701 3.6915 3.6915 3.7124 3.7124 3.8305 3.8305 3.8439 3.8439 5.3796 5.3796 5.4931 5.4931 5.5958 5.5958 5.6510 5.6510 6.0882 6.0882 6.1680 6.1680 6.7542 6.7542 6.8123 6.8123 6.9003 6.9003 6.9465 6.9465 10.5248 10.5248 10.5293 10.5293 11.7806 11.7806 11.7907 11.7907 12.2689 12.2689 k =-0.1334 0.1885 0.8514 ( 4924 PWs) bands (ev): -6.2984 -6.2972 -6.2820 -6.2811 -6.0644 -6.0631 -6.0336 -6.0319 0.6182 0.6212 0.6321 0.6351 1.5657 1.5717 1.5860 1.5913 2.7654 2.7719 2.8438 2.8506 3.5344 3.5378 3.5556 3.5591 3.6775 3.6805 3.7043 3.7095 3.8228 3.8255 3.8373 3.8388 5.3762 5.3797 5.4882 5.4939 5.5866 5.5958 5.6408 5.6534 6.0763 6.0954 6.1594 6.1777 6.7312 6.7466 6.7896 6.8122 6.8814 6.8866 6.9295 6.9357 10.5516 10.5522 10.5563 10.5569 11.7100 11.7215 11.7422 11.7527 12.2570 12.2623 k =-0.1415 0.2000 0.8373 ( 4926 PWs) bands (ev): -6.3125 -6.3112 -6.2826 -6.2819 -6.0759 -6.0747 -6.0123 -6.0104 0.6356 0.6388 0.6641 0.6673 1.5637 1.5696 1.6025 1.6070 2.7361 2.7426 2.8918 2.8991 3.5183 3.5253 3.5389 3.5463 3.6597 3.6628 3.7014 3.7088 3.8143 3.8201 3.8307 3.8338 5.3726 5.3797 5.4829 5.4947 5.5775 5.5952 5.6319 5.6570 6.0641 6.1014 6.1506 6.1857 6.7021 6.7256 6.7725 6.8098 6.8650 6.8734 6.9144 6.9271 10.5828 10.5845 10.5878 10.5894 11.6279 11.6402 11.7035 11.7141 12.2365 12.2435 k =-0.1497 0.2115 0.8232 ( 4928 PWs) bands (ev): -6.3263 -6.3250 -6.2854 -6.2848 -6.0871 -6.0860 -5.9895 -5.9872 0.6534 0.6569 0.6976 0.7009 1.5653 1.5711 1.6203 1.6242 2.7073 2.7138 2.9389 2.9467 3.5002 3.5107 3.5202 3.5316 3.6395 3.6428 3.6998 3.7085 3.8054 3.8141 3.8240 3.8289 5.3690 5.3799 5.4772 5.4954 5.5691 5.5929 5.6256 5.6612 6.0519 6.1060 6.1415 6.1914 6.6689 6.6931 6.7594 6.8031 6.8518 6.8616 6.9017 6.9206 10.6177 10.6206 10.6232 10.6260 11.5395 11.5523 11.6660 11.6766 12.2065 12.2144 k =-0.1578 0.2230 0.8091 ( 4927 PWs) bands (ev): -6.3399 -6.3386 -6.2896 -6.2890 -6.0980 -6.0969 -5.9657 -5.9632 0.6713 0.6751 0.7321 0.7356 1.5705 1.5761 1.6396 1.6429 2.6790 2.6856 2.9847 2.9930 3.4801 3.4927 3.5009 3.5151 3.6176 3.6218 3.6984 3.7083 3.7967 3.8080 3.8174 3.8241 5.3652 5.3801 5.4715 5.4962 5.5615 5.5882 5.6227 5.6661 6.0401 6.1087 6.1324 6.1942 6.6331 6.6552 6.7451 6.7909 6.8415 6.8526 6.8922 6.9161 10.6550 10.6589 10.6619 10.6656 11.4490 11.4621 11.6306 11.6411 12.1685 12.1766 k =-0.1660 0.2345 0.7950 ( 4929 PWs) bands (ev): -6.3531 -6.3518 -6.2948 -6.2941 -6.1085 -6.1075 -5.9415 -5.9388 0.6892 0.6933 0.7675 0.7712 1.5794 1.5847 1.6601 1.6630 2.6514 2.6580 3.0289 3.0377 3.4577 3.4699 3.4826 3.4968 3.5946 3.5998 3.6969 3.7081 3.7886 3.8022 3.8107 3.8193 5.3614 5.3804 5.4658 5.4969 5.5549 5.5818 5.6229 5.6713 6.0287 6.1094 6.1233 6.1938 6.5962 6.6148 6.7275 6.7732 6.8336 6.8467 6.8859 6.9134 10.6931 10.6972 10.7029 10.7066 11.3603 11.3734 11.5981 11.6084 12.1246 12.1325 k =-0.1741 0.2460 0.7809 ( 4937 PWs) bands (ev): -6.3659 -6.3646 -6.3007 -6.2999 -6.1187 -6.1177 -5.9173 -5.9144 0.7067 0.7112 0.8036 0.8074 1.5920 1.5971 1.6819 1.6845 2.6245 2.6310 3.0708 3.0801 3.4331 3.4438 3.4642 3.4772 3.5708 3.5767 3.6953 3.7079 3.7812 3.7969 3.8039 3.8146 5.3577 5.3807 5.4603 5.4975 5.5491 5.5749 5.6250 5.6768 6.0178 6.1077 6.1146 6.1897 6.5591 6.5734 6.7070 6.7515 6.8275 6.8429 6.8828 6.9123 10.7290 10.7329 10.7442 10.7471 11.2777 11.2905 11.5689 11.5792 12.0779 12.0852 k =-0.1823 0.2575 0.7668 ( 4937 PWs) bands (ev): -6.3782 -6.3769 -6.3069 -6.3061 -6.1284 -6.1274 -5.8934 -5.8903 0.7237 0.7287 0.8400 0.8439 1.6082 1.6130 1.7050 1.7075 2.5982 2.6047 3.1099 3.1195 3.4064 3.4155 3.4449 3.4565 3.5465 3.5526 3.6937 3.7077 3.7749 3.7925 3.7971 3.8100 5.3541 5.3811 5.4552 5.4981 5.5442 5.5684 5.6283 5.6825 6.0078 6.1023 6.1078 6.1817 6.5228 6.5319 6.6844 6.7272 6.8225 6.8401 6.8826 6.9128 10.7565 10.7606 10.7834 10.7858 11.2083 11.2200 11.5434 11.5536 12.0314 12.0381 k =-0.1904 0.2690 0.7527 ( 4943 PWs) bands (ev): -6.3900 -6.3888 -6.3134 -6.3124 -6.1377 -6.1368 -5.8700 -5.8667 0.7400 0.7455 0.8764 0.8805 1.6279 1.6325 1.7292 1.7319 2.5727 2.5791 3.1451 3.1549 3.3779 3.3855 3.4247 3.4354 3.5221 3.5282 3.6920 3.7075 3.7696 3.7890 3.7902 3.8056 5.3508 5.3815 5.4505 5.4985 5.5400 5.5630 5.6322 5.6883 5.9984 6.0934 6.1027 6.1698 6.4878 6.4909 6.6605 6.7016 6.8179 6.8380 6.8851 6.9152 10.7647 10.7704 10.8188 10.8222 11.1621 11.1718 11.5214 11.5314 11.9888 11.9949 k =-0.1986 0.2805 0.7386 ( 4943 PWs) bands (ev): -6.4013 -6.4001 -6.3198 -6.3188 -6.1466 -6.1456 -5.8474 -5.8440 0.7555 0.7616 0.9126 0.9169 1.6510 1.6553 1.7547 1.7576 2.5479 2.5543 3.1750 3.1845 3.3482 3.3546 3.4037 3.4145 3.4987 3.5044 3.6904 3.7075 3.7653 3.7833 3.7867 3.8017 5.3479 5.3819 5.4465 5.4986 5.5364 5.5588 5.6366 5.6941 5.9898 6.0830 6.0975 6.1542 6.4511 6.4549 6.6360 6.6753 6.8131 6.8362 6.8898 6.9194 10.7445 10.7525 10.8498 10.8546 11.1480 11.1551 11.5019 11.5118 11.9538 11.9595 k =-0.2067 0.2921 0.7245 ( 4941 PWs) bands (ev): -6.4120 -6.4108 -6.3262 -6.3250 -6.1549 -6.1540 -5.8257 -5.8222 0.7702 0.7768 0.9483 0.9526 1.6772 1.6812 1.7814 1.7847 2.5238 2.5301 3.1971 3.2057 3.3177 3.3232 3.3823 3.3944 3.4782 3.4829 3.6889 3.7075 3.7620 3.7766 3.7851 3.7985 5.3456 5.3822 5.4432 5.4985 5.5334 5.5561 5.6412 5.6998 5.9818 6.0712 6.0925 6.1355 6.4131 6.4239 6.6115 6.6489 6.8080 6.8344 6.8964 6.9256 10.6981 10.7080 10.8754 10.8815 11.1635 11.1685 11.4833 11.4932 11.9304 11.9362 k =-0.2149 0.3036 0.7103 ( 4935 PWs) bands (ev): -6.4220 -6.4208 -6.3324 -6.3311 -6.1628 -6.1619 -5.8051 -5.8014 0.7839 0.7911 0.9830 0.9874 1.7060 1.7099 1.8093 1.8130 2.5004 2.5066 3.2080 3.2152 3.2874 3.2922 3.3611 3.3752 3.4635 3.4665 3.6875 3.7077 3.7594 3.7701 3.7839 3.7963 5.3439 5.3824 5.4405 5.4980 5.5312 5.5548 5.6459 5.7055 5.9739 6.0577 6.0882 6.1149 6.3773 6.3951 6.5875 6.6230 6.8026 6.8322 6.9046 6.9336 10.6363 10.6471 10.8948 10.9020 11.1974 11.2010 11.4636 11.4733 11.9222 11.9286 k =-0.2230 0.3151 0.6962 ( 4939 PWs) bands (ev): -6.4314 -6.4302 -6.3383 -6.3370 -6.1701 -6.1692 -5.7857 -5.7819 0.7966 0.8044 1.0164 1.0208 1.7372 1.7410 1.8385 1.8424 2.4776 2.4837 3.2046 3.2104 3.2585 3.2629 3.3401 3.3559 3.4578 3.4579 3.6864 3.7079 3.7571 3.7644 3.7828 3.7957 5.3430 5.3825 5.4384 5.4970 5.5297 5.5548 5.6504 5.7109 5.9655 6.0426 6.0844 6.0942 6.3437 6.3682 6.5643 6.5978 6.7971 6.8296 6.9142 6.9429 10.5682 10.5794 10.9080 10.9162 11.2396 11.2422 11.4418 11.4510 11.9317 11.9387 k =-0.2312 0.3266 0.6821 ( 4941 PWs) bands (ev): -6.4400 -6.4389 -6.3439 -6.3425 -6.1769 -6.1760 -5.7677 -5.7638 0.8083 0.8166 1.0481 1.0526 1.7702 1.7739 1.8687 1.8730 2.4553 2.4613 3.1867 3.1915 3.2316 3.2360 3.3190 3.3354 3.4580 3.4616 3.6854 3.7083 3.7540 3.7601 3.7816 3.7968 5.3429 5.3823 5.4370 5.4956 5.5292 5.5558 5.6548 5.7161 5.9558 6.0254 6.0737 6.0836 6.3125 6.3429 6.5423 6.5737 6.7916 6.8266 6.9248 6.9533 10.4993 10.5103 10.9156 10.9246 11.2827 11.2842 11.4190 11.4274 11.9586 11.9660 k =-0.2393 0.3381 0.6680 ( 4941 PWs) bands (ev): -6.4480 -6.4469 -6.3490 -6.3476 -6.1830 -6.1822 -5.7510 -5.7470 0.8189 0.8278 1.0779 1.0824 1.8044 1.8082 1.8999 1.9045 2.4335 2.4393 3.1596 3.1634 3.2056 3.2100 3.2976 3.3139 3.4652 3.4719 3.6848 3.7087 3.7495 3.7578 3.7807 3.7992 5.3435 5.3819 5.4362 5.4939 5.5297 5.5575 5.6590 5.7212 5.9440 6.0058 6.0596 6.0823 6.2838 6.3191 6.5218 6.5511 6.7862 6.8233 6.9360 6.9642 10.4326 10.4431 10.9186 10.9283 11.3162 11.3182 11.4029 11.4090 12.0009 12.0084 k =-0.2474 0.3496 0.6539 ( 4955 PWs) bands (ev): -6.4551 -6.4541 -6.3538 -6.3523 -6.1886 -6.1878 -5.7359 -5.7318 0.8285 0.8379 1.1054 1.1098 1.8392 1.8430 1.9319 1.9369 2.4120 2.4177 3.1280 3.1313 3.1793 3.1837 3.2763 3.2924 3.4761 3.4853 3.6845 3.7091 3.7448 3.7562 3.7804 3.8025 5.3447 5.3812 5.4358 5.4918 5.5311 5.5598 5.6630 5.7259 5.9298 5.9840 6.0511 6.0827 6.2574 6.2965 6.5029 6.5300 6.7810 6.8198 6.9475 6.9753 10.3699 10.3798 10.9184 10.9285 11.3211 11.3265 11.4107 11.4134 12.0556 12.0627 k =-0.2556 0.3611 0.6398 ( 4951 PWs) bands (ev): -6.4615 -6.4605 -6.3581 -6.3566 -6.1936 -6.1927 -5.7224 -5.7182 0.8371 0.8469 1.1304 1.1346 1.8739 1.8778 1.9644 1.9697 2.3907 2.3963 3.0949 3.0978 3.1533 3.1576 3.2559 3.2717 3.4885 3.4993 3.6845 3.7092 3.7406 3.7546 3.7811 3.8065 5.3467 5.3804 5.4360 5.4896 5.5335 5.5624 5.6668 5.7303 5.9138 5.9614 6.0479 6.0844 6.2331 6.2752 6.4860 6.5108 6.7762 6.8162 6.9588 6.9862 10.3125 10.3215 10.9158 10.9264 11.3027 11.3092 11.4379 11.4398 12.1191 12.1256 k =-0.2637 0.3726 0.6257 ( 4946 PWs) bands (ev): -6.4671 -6.4661 -6.3619 -6.3603 -6.1979 -6.1971 -5.7105 -5.7063 0.8446 0.8548 1.1525 1.1566 1.9077 1.9114 1.9970 2.0026 2.3694 2.3750 3.0619 3.0646 3.1286 3.1326 3.2369 3.2526 3.5005 3.5125 3.6849 3.7091 3.7371 3.7528 3.7826 3.8108 5.3492 5.3794 5.4365 5.4872 5.5366 5.5649 5.6707 5.7343 5.8970 5.9393 6.0489 6.0874 6.2107 6.2550 6.4712 6.4936 6.7717 6.8128 6.9696 6.9966 10.2612 10.2693 10.9121 10.9229 11.2791 11.2854 11.4669 11.4691 12.1884 12.1937 k =-0.2719 0.3841 0.6116 ( 4946 PWs) bands (ev): -6.4718 -6.4709 -6.3651 -6.3635 -6.2016 -6.2008 -5.7004 -5.6961 0.8509 0.8616 1.1715 1.1755 1.9394 1.9431 2.0293 2.0351 2.3482 2.3537 3.0303 3.0331 3.1060 3.1099 3.2200 3.2356 3.5113 3.5241 3.6855 3.7084 3.7346 3.7508 3.7847 3.8150 5.3520 5.3782 5.4374 5.4847 5.5404 5.5670 5.6746 5.7377 5.8806 5.9186 6.0532 6.0917 6.1900 6.2361 6.4586 6.4786 6.7678 6.8097 6.9794 7.0060 10.2168 10.2238 10.9078 10.9189 11.2563 11.2623 11.4922 11.4948 12.2600 12.2634 k =-0.2800 0.3956 0.5975 ( 4946 PWs) bands (ev): -6.4757 -6.4749 -6.3678 -6.3662 -6.2047 -6.2038 -5.6920 -5.6877 0.8562 0.8671 1.1874 1.1912 1.9682 1.9715 2.0604 2.0665 2.3271 2.3325 3.0015 3.0044 3.0864 3.0901 3.2056 3.2211 3.5203 3.5336 3.6864 3.7072 3.7331 3.7487 3.7871 3.8189 5.3550 5.3769 5.4383 5.4822 5.5447 5.5684 5.6786 5.7403 5.8658 5.9001 6.0601 6.0970 6.1708 6.2187 6.4484 6.4659 6.7645 6.8070 6.9880 7.0142 10.1799 10.1857 10.9036 10.9149 11.2364 11.2420 11.5126 11.5156 12.3290 12.3303 k =-0.2882 0.4072 0.5834 ( 4937 PWs) bands (ev): -6.4788 -6.4779 -6.3699 -6.3682 -6.2071 -6.2062 -5.6855 -5.6811 0.8603 0.8715 1.1998 1.2035 1.9926 1.9956 2.0896 2.0957 2.3066 2.3119 2.9769 2.9802 3.0704 3.0739 3.1940 3.2094 3.5275 3.5411 3.6874 3.7057 3.7326 3.7467 3.7893 3.8223 5.3580 5.3754 5.4394 5.4800 5.5492 5.5689 5.6828 5.7420 5.8538 5.8842 6.0689 6.1030 6.1530 6.2032 6.4405 6.4557 6.7618 6.8048 6.9950 7.0209 10.1509 10.1553 10.9000 10.9114 11.2203 11.2255 11.5280 11.5312 12.3850 12.3908 k =-0.2963 0.4187 0.5693 ( 4943 PWs) bands (ev): -6.4810 -6.4801 -6.3714 -6.3697 -6.2088 -6.2079 -5.6808 -5.6764 0.8633 0.8746 1.2088 1.2124 2.0114 2.0140 2.1151 2.1210 2.2878 2.2928 2.9580 2.9616 3.0586 3.0619 3.1856 3.2009 3.5326 3.5464 3.6885 3.7041 3.7326 3.7450 3.7912 3.8248 5.3608 5.3738 5.4403 5.4781 5.5536 5.5683 5.6867 5.7425 5.8455 5.8716 6.0794 6.1088 6.1367 6.1901 6.4351 6.4481 6.7599 6.8031 7.0001 7.0258 10.1301 10.1332 10.8972 10.9087 11.2084 11.2134 11.5386 11.5420 12.4223 12.4319 k =-0.3045 0.4302 0.5552 ( 4941 PWs) bands (ev): -6.4823 -6.4815 -6.3723 -6.3706 -6.2098 -6.2089 -5.6780 -5.6736 0.8651 0.8765 1.2142 1.2177 2.0233 2.0256 2.1341 2.1394 2.2734 2.2778 2.9461 2.9499 3.0513 3.0545 3.1805 3.1957 3.5357 3.5495 3.6894 3.7028 3.7329 3.7437 3.7924 3.8264 5.3630 5.3724 5.4410 5.4768 5.5574 5.5670 5.6896 5.7423 5.8410 5.8632 6.0912 6.1119 6.1232 6.1810 6.4319 6.4434 6.7587 6.8021 7.0033 7.0288 10.1177 10.1196 10.8954 10.9070 11.2013 11.2061 11.5448 11.5483 12.4413 12.4517 k =-0.3126 0.4417 0.5411 ( 4936 PWs) bands (ev): -6.4827 -6.4819 -6.3726 -6.3709 -6.2101 -6.2093 -5.6770 -5.6726 0.8657 0.8771 1.2160 1.2195 2.0274 2.0295 2.1416 2.1464 2.2677 2.2717 2.9421 2.9459 3.0488 3.0520 3.1787 3.1940 3.5368 3.5506 3.6897 3.7023 3.7330 3.7433 3.7928 3.8270 5.3640 5.3717 5.4412 5.4764 5.5592 5.5660 5.6908 5.7421 5.8397 5.8602 6.1032 6.1042 6.1198 6.1776 6.4308 6.4418 6.7583 6.8018 7.0044 7.0299 10.1137 10.1149 10.8948 10.9064 11.1988 11.2036 11.5468 11.5503 12.4469 12.4573 k =-0.3126 0.4417 0.5411 ( 4936 PWs) bands (ev): -6.4827 -6.4819 -6.3726 -6.3709 -6.2101 -6.2093 -5.6770 -5.6726 0.8657 0.8771 1.2160 1.2195 2.0274 2.0295 2.1416 2.1464 2.2677 2.2717 2.9421 2.9459 3.0488 3.0520 3.1787 3.1940 3.5368 3.5506 3.6897 3.7023 3.7330 3.7433 3.7928 3.8270 5.3640 5.3717 5.4412 5.4764 5.5592 5.5660 5.6908 5.7421 5.8397 5.8602 6.1032 6.1042 6.1198 6.1776 6.4308 6.4418 6.7583 6.8018 7.0044 7.0299 10.1137 10.1149 10.8948 10.9064 11.1988 11.2036 11.5468 11.5503 12.4469 12.4573 k =-0.3044 0.4301 0.5269 ( 4938 PWs) bands (ev): -6.4936 -6.4930 -6.3492 -6.3475 -6.2198 -6.2187 -5.6764 -5.6719 0.8655 0.8767 1.2316 1.2358 2.0297 2.0310 2.1599 2.1642 2.2211 2.2282 2.9135 2.9176 3.0184 3.0212 3.1629 3.1783 3.5363 3.5492 3.6960 3.7076 3.7391 3.7502 3.8076 3.8416 5.3633 5.3742 5.4402 5.4770 5.5621 5.5692 5.6980 5.7534 5.8366 5.8572 6.0912 6.0964 6.1123 6.1651 6.4346 6.4469 6.7644 6.8081 7.0168 7.0418 10.1716 10.1729 10.9578 10.9682 11.2458 11.2508 11.5481 11.5515 12.4189 12.4319 k =-0.2962 0.4184 0.5126 ( 4930 PWs) bands (ev): -6.5122 -6.5118 -6.3253 -6.3236 -6.2214 -6.2201 -5.6758 -5.6713 0.8627 0.8736 1.2437 1.2486 2.0294 2.0360 2.1754 2.1827 2.1912 2.1919 2.8845 2.8890 2.9869 2.9895 3.1483 3.1639 3.5347 3.5469 3.7019 3.7115 3.7444 3.7559 3.8240 3.8563 5.3628 5.3767 5.4389 5.4778 5.5647 5.5721 5.7032 5.7625 5.8343 5.8548 6.0787 6.0911 6.1073 6.1549 6.4403 6.4538 6.7689 6.8122 7.0280 7.0522 10.2317 10.2331 11.0094 11.0186 11.2940 11.2992 11.5421 11.5454 12.3857 12.3980 k =-0.2879 0.4068 0.4984 ( 4932 PWs) bands (ev): -6.5374 -6.5371 -6.3010 -6.2992 -6.2160 -6.2146 -5.6754 -5.6708 0.8573 0.8678 1.2524 1.2580 2.0240 2.0376 2.1452 2.1648 2.2125 2.2171 2.8554 2.8603 2.9546 2.9569 3.1351 3.1508 3.5323 3.5440 3.7071 3.7144 3.7489 3.7602 3.8409 3.8709 5.3626 5.3793 5.4373 5.4785 5.5668 5.5748 5.7066 5.7693 5.8323 5.8529 6.0673 6.0874 6.1041 6.1469 6.4481 6.4626 6.7715 6.8140 7.0379 7.0611 10.2937 10.2952 11.0494 11.0574 11.3420 11.3474 11.5308 11.5340 12.3512 12.3628 k =-0.2797 0.3952 0.4842 ( 4933 PWs) bands (ev): -6.5674 -6.5672 -6.2762 -6.2744 -6.2054 -6.2037 -5.6750 -5.6703 0.8494 0.8593 1.2581 1.2646 2.0086 2.0264 2.1321 2.1553 2.2452 2.2494 2.8265 2.8319 2.9216 2.9236 3.1234 3.1392 3.5292 3.5406 3.7115 3.7164 3.7527 3.7634 3.8580 3.8850 5.3624 5.3817 5.4357 5.4793 5.5685 5.5771 5.7081 5.7735 5.8304 5.8515 6.0574 6.0852 6.1026 6.1409 6.4579 6.4734 6.7723 6.8134 7.0465 7.0687 10.3576 10.3592 11.0787 11.0856 11.3880 11.3937 11.5159 11.5191 12.3149 12.3260 k =-0.2715 0.3836 0.4699 ( 4935 PWs) bands (ev): -6.6008 -6.6006 -6.2511 -6.2492 -6.1908 -6.1891 -5.6747 -5.6700 0.8389 0.8482 1.2615 1.2686 1.9834 2.0001 2.1404 2.1618 2.2811 2.2850 2.7984 2.8043 2.8880 2.8898 3.1132 3.1290 3.5256 3.5369 3.7152 3.7178 3.7556 3.7655 3.8746 3.8985 5.3623 5.3838 5.4342 5.4803 5.5696 5.5793 5.7078 5.7752 5.8285 5.8504 6.0489 6.0846 6.1025 6.1367 6.4699 6.4863 6.7715 6.8106 7.0540 7.0750 10.4229 10.4246 11.0988 11.1049 11.4299 11.4358 11.4993 11.5025 12.2754 12.2861 k =-0.2633 0.3719 0.4557 ( 4931 PWs) bands (ev): -6.6363 -6.6362 -6.2258 -6.2238 -6.1735 -6.1717 -5.6745 -5.6698 0.8261 0.8348 1.2629 1.2708 1.9530 1.9672 2.1615 2.1797 2.3189 2.3226 2.7719 2.7783 2.8539 2.8555 3.1045 3.1204 3.5217 3.5328 3.7180 3.7187 3.7578 3.7665 3.8905 3.9111 5.3622 5.3854 5.4332 5.4814 5.5702 5.5813 5.7059 5.7744 5.8262 5.8493 6.0417 6.0855 6.1037 6.1342 6.4840 6.5012 6.7690 6.8057 7.0606 7.0804 10.4894 10.4912 11.1115 11.1169 11.4659 11.4715 11.4829 11.4856 12.2306 12.2412 k =-0.2550 0.3603 0.4414 ( 4933 PWs) bands (ev): -6.6732 -6.6731 -6.2002 -6.1982 -6.1544 -6.1525 -5.6744 -5.6697 0.8111 0.8191 1.2629 1.2715 1.9215 1.9334 2.1898 2.2050 2.3571 2.3605 2.7483 2.7550 2.8196 2.8211 3.0972 3.1132 3.5174 3.5285 3.7192 3.7199 3.7592 3.7664 3.9053 3.9227 5.3621 5.3861 5.4329 5.4825 5.5701 5.5830 5.7024 5.7715 5.8235 5.8477 6.0357 6.0876 6.1059 6.1331 6.5002 6.5181 6.7653 6.7990 7.0665 7.0849 10.5567 10.5585 11.1185 11.1236 11.4657 11.4694 11.4946 11.5013 12.1793 12.1897 k =-0.2468 0.3487 0.4272 ( 4937 PWs) bands (ev): -6.7108 -6.7107 -6.1745 -6.1725 -6.1338 -6.1319 -5.6744 -5.6696 0.7941 0.8015 1.2621 1.2713 1.8906 1.9007 2.2229 2.2355 2.3931 2.3962 2.7294 2.7363 2.7851 2.7867 3.0916 3.1076 3.5128 3.5238 3.7194 3.7210 3.7599 3.7652 3.9188 3.9329 5.3618 5.3858 5.4334 5.4838 5.5693 5.5845 5.6975 5.7668 5.8202 5.8454 6.0308 6.0907 6.1088 6.1331 6.5184 6.5372 6.7605 6.7907 7.0718 7.0889 10.6242 10.6261 11.1216 11.1266 11.4514 11.4553 11.5139 11.5207 12.1208 12.1313 k =-0.2386 0.3371 0.4130 ( 4921 PWs) bands (ev): -6.7486 -6.7486 -6.1488 -6.1467 -6.1124 -6.1104 -5.6744 -5.6697 0.7754 0.7822 1.2608 1.2707 1.8615 1.8701 2.2596 2.2698 2.4237 2.4261 2.7183 2.7248 2.7507 2.7528 3.0875 3.1035 3.5080 3.5189 3.7193 3.7212 3.7599 3.7631 3.9308 3.9418 5.3614 5.3844 5.4350 5.4854 5.5679 5.5858 5.6915 5.7607 5.8162 5.8418 6.0269 6.0946 6.1122 6.1339 6.5386 6.5582 6.7551 6.7815 7.0769 7.0928 10.6911 10.6933 11.1225 11.1277 11.4396 11.4437 11.5220 11.5291 12.0562 12.0668 k =-0.2304 0.3255 0.3987 ( 4925 PWs) bands (ev): -6.7865 -6.7865 -6.1230 -6.1210 -6.0902 -6.0883 -5.6746 -5.6699 0.7552 0.7614 1.2595 1.2699 1.8348 1.8421 2.2992 2.3072 2.4449 2.4461 2.7151 2.7166 2.7190 2.7286 3.0850 3.1010 3.5028 3.5135 3.7189 3.7204 3.7594 3.7598 3.9411 3.9490 5.3607 5.3818 5.4375 5.4872 5.5656 5.5869 5.6844 5.7534 5.8116 5.8367 6.0237 6.0989 6.1156 6.1354 6.5606 6.5812 6.7498 6.7717 7.0820 7.0968 10.7563 10.7587 11.1229 11.1286 11.4308 11.4353 11.5166 11.5241 11.9878 11.9985 k =-0.2221 0.3138 0.3845 ( 4935 PWs) bands (ev): -6.8241 -6.8240 -6.0973 -6.0953 -6.0677 -6.0657 -5.6748 -5.6702 0.7337 0.7393 1.2585 1.2694 1.8107 1.8169 2.3410 2.3466 2.4533 2.4536 2.6833 2.6842 2.7335 2.7400 3.0841 3.1002 3.4973 3.5078 3.7182 3.7185 3.7556 3.7584 3.9495 3.9544 5.3596 5.3782 5.4408 5.4893 5.5624 5.5878 5.6766 5.7451 5.8063 5.8300 6.0212 6.1030 6.1189 6.1372 6.5842 6.6058 6.7450 6.7622 7.0875 7.1011 10.8176 10.8203 11.1252 11.1316 11.4253 11.4303 11.4952 11.5032 11.9191 11.9297 k =-0.2139 0.3022 0.3702 ( 4941 PWs) bands (ev): -6.8612 -6.8611 -6.0718 -6.0698 -6.0449 -6.0430 -5.6752 -5.6706 0.7112 0.7162 1.2580 1.2695 1.7896 1.7947 2.3838 2.3870 2.4484 2.4505 2.6512 2.6529 2.7608 2.7659 3.0852 3.1013 3.4915 3.5016 3.7155 3.7172 3.7506 3.7572 3.9561 3.9580 5.3582 5.3738 5.4446 5.4917 5.5583 5.5883 5.6683 5.7359 5.8004 5.8216 6.0191 6.1067 6.1215 6.1392 6.6092 6.6319 6.7417 6.7536 7.0936 7.1063 10.8714 10.8744 11.1326 11.1398 11.4233 11.4289 11.4555 11.4644 11.8541 11.8645 k =-0.2057 0.2906 0.3560 ( 4937 PWs) bands (ev): -6.8976 -6.8976 -6.0465 -6.0445 -6.0221 -6.0202 -5.6756 -5.6711 0.6877 0.6923 1.2583 1.2703 1.7716 1.7757 2.4245 2.4254 2.4367 2.4396 2.6216 2.6246 2.7967 2.8007 3.0884 3.1044 3.4852 3.4951 3.7113 3.7158 3.7449 3.7557 3.9597 3.9606 5.3563 5.3687 5.4489 5.4945 5.5532 5.5886 5.6598 5.7261 5.7940 5.8118 6.0172 6.1095 6.1234 6.1411 6.6349 6.6590 6.7409 6.7473 7.1005 7.1125 10.9120 10.9147 11.1500 11.1578 11.3978 11.4053 11.4271 11.4311 11.7956 11.8056 k =-0.1974 0.2790 0.3418 ( 4945 PWs) bands (ev): -6.9334 -6.9334 -6.0215 -6.0195 -5.9993 -5.9974 -5.6761 -5.6717 0.6637 0.6678 1.2596 1.2720 1.7567 1.7599 2.4150 2.4200 2.4617 2.4655 2.5983 2.6036 2.8366 2.8399 3.0942 3.1101 3.4786 3.4880 3.7059 3.7134 3.7390 3.7542 3.9594 3.9629 5.3539 5.3629 5.4533 5.4977 5.5471 5.5884 5.6513 5.7155 5.7873 5.8007 6.0152 6.1107 6.1240 6.1428 6.6604 6.6855 6.7441 6.7452 7.1086 7.1199 10.9334 10.9348 11.1800 11.1878 11.3268 11.3355 11.4317 11.4370 11.7443 11.7537 k =-0.1892 0.2673 0.3275 ( 4939 PWs) bands (ev): -6.9682 -6.9682 -5.9969 -5.9949 -5.9767 -5.9748 -5.6767 -5.6724 0.6392 0.6430 1.2620 1.2748 1.7451 1.7473 2.3937 2.3997 2.4796 2.4875 2.5926 2.6003 2.8769 2.8800 3.1038 3.1193 3.4714 3.4803 3.6993 3.7096 3.7336 3.7527 3.9570 3.9632 5.3511 5.3567 5.4575 5.5013 5.5402 5.5879 5.6433 5.7044 5.7805 5.7889 6.0131 6.1102 6.1232 6.1442 6.6841 6.7076 6.7518 6.7534 7.1180 7.1287 10.9324 10.9332 11.1992 11.2080 11.2709 11.2777 11.4407 11.4464 11.6994 11.7084 k =-0.1810 0.2557 0.3133 ( 4931 PWs) bands (ev): -7.0021 -7.0021 -5.9727 -5.9707 -5.9543 -5.9525 -5.6773 -5.6731 0.6145 0.6179 1.2656 1.2789 1.7367 1.7381 2.3709 2.3777 2.4737 2.4819 2.6161 2.6224 2.9143 2.9176 3.1183 3.1331 3.4637 3.4721 3.6915 3.7035 3.7295 3.7513 3.9527 3.9612 5.3478 5.3498 5.4610 5.5054 5.5330 5.5868 5.6359 5.6925 5.7737 5.7770 6.0106 6.1075 6.1210 6.1451 6.7042 6.7207 6.7707 6.7721 7.1288 7.1391 10.9078 10.9115 11.1344 11.1429 11.3050 11.3104 11.4529 11.4589 11.6607 11.6692 k =-0.1728 0.2441 0.2990 ( 4927 PWs) bands (ev): -7.0350 -7.0350 -5.9490 -5.9470 -5.9324 -5.9305 -5.6780 -5.6739 0.5897 0.5928 1.2705 1.2841 1.7316 1.7320 2.3478 2.3554 2.4534 2.4606 2.6562 2.6598 2.9459 2.9500 3.1394 3.1529 3.4554 3.4633 3.6828 3.6951 3.7268 3.7498 3.9465 3.9572 5.3426 5.3438 5.4630 5.5099 5.5265 5.5849 5.6292 5.6798 5.7657 5.7671 6.0075 6.1026 6.1174 6.1454 6.7214 6.7299 6.7954 6.8012 7.1412 7.1510 10.8600 10.8673 11.0514 11.0577 11.3659 11.3708 11.4681 11.4743 11.6285 11.6367 k =-0.1645 0.2325 0.2848 ( 4927 PWs) bands (ev): -7.0667 -7.0667 -5.9259 -5.9240 -5.9108 -5.9090 -5.6788 -5.6748 0.5651 0.5678 1.2767 1.2907 1.7293 1.7297 2.3250 2.3332 2.4282 2.4347 2.7014 2.7028 2.9698 2.9752 3.1678 3.1796 3.4466 3.4539 3.6731 3.6850 3.7253 3.7484 3.9384 3.9511 5.3349 5.3394 5.4622 5.5147 5.5220 5.5822 5.6232 5.6663 5.7556 5.7608 6.0036 6.0957 6.1124 6.1448 6.7383 6.7407 6.8252 6.8337 7.1551 7.1646 10.7884 10.7994 10.9728 10.9768 11.4322 11.4368 11.4859 11.4922 11.6041 11.6119 k =-0.1563 0.2208 0.2706 ( 4927 PWs) bands (ev): -7.0973 -7.0973 -5.9034 -5.9016 -5.8898 -5.8881 -5.6795 -5.6758 0.5407 0.5432 1.2842 1.2985 1.7297 1.7310 2.3030 2.3117 2.4017 2.4079 2.7472 2.7478 2.9861 2.9929 3.2029 3.2128 3.4373 3.4439 3.6629 3.6738 3.7243 3.7470 3.9287 3.9432 5.3270 5.3344 5.4579 5.5199 5.5206 5.5786 5.6180 5.6521 5.7473 5.7550 5.9988 6.0868 6.1063 6.1432 6.7549 6.7567 6.8578 6.8677 7.1706 7.1797 10.6986 10.7120 10.8976 10.9000 11.5006 11.5049 11.5060 11.5121 11.5883 11.5956 k =-0.1481 0.2092 0.2563 ( 4937 PWs) bands (ev): -7.1265 -7.1265 -5.8817 -5.8799 -5.8694 -5.8678 -5.6804 -5.6767 0.5167 0.5190 1.2930 1.3075 1.7332 1.7353 2.2820 2.2912 2.3753 2.3813 2.7911 2.7934 2.9958 3.0039 3.2424 3.2505 3.4277 3.4337 3.6522 3.6619 3.7238 3.7457 3.9177 3.9335 5.3187 5.3288 5.4504 5.5220 5.5251 5.5741 5.6135 5.6375 5.7414 5.7499 5.9931 6.0765 6.0990 6.1405 6.7729 6.7779 6.8920 6.9025 7.1875 7.1962 10.5985 10.6132 10.8205 10.8223 11.5272 11.5335 11.5673 11.5735 11.5837 11.5889 k =-0.1399 0.1976 0.2421 ( 4941 PWs) bands (ev): -7.1545 -7.1545 -5.8608 -5.8590 -5.8497 -5.8482 -5.6812 -5.6778 0.4934 0.4954 1.3029 1.3176 1.7397 1.7427 2.2623 2.2720 2.3495 2.3556 2.8331 2.8372 3.0006 3.0096 3.2842 3.2908 3.4182 3.4234 3.6414 3.6498 3.7236 3.7443 3.9055 3.9224 5.3104 5.3226 5.4408 5.5252 5.5302 5.5689 5.6100 5.6229 5.7379 5.7457 5.9865 6.0651 6.0911 6.1365 6.7949 6.8020 6.9270 6.9376 7.2059 7.2140 10.4942 10.5096 10.7385 10.7401 11.5496 11.5558 11.5794 11.5868 11.6420 11.6455 k =-0.1316 0.1860 0.2278 ( 4933 PWs) bands (ev): -7.1811 -7.1811 -5.8407 -5.8390 -5.8307 -5.8293 -5.6820 -5.6788 0.4707 0.4726 1.3140 1.3288 1.7490 1.7529 2.2442 2.2543 2.3247 2.3310 2.8721 2.8777 3.0014 3.0111 3.3268 3.3317 3.4094 3.4136 3.6309 3.6379 3.7236 3.7431 3.8925 3.9102 5.3020 5.3160 5.4304 5.5290 5.5344 5.5635 5.6078 5.6092 5.7370 5.7426 5.9790 6.0530 6.0825 6.1312 6.8206 6.8291 6.9623 6.9726 7.2254 7.2331 10.3892 10.4048 10.6511 10.6528 11.5722 11.5780 11.5866 11.5933 11.7120 11.7157 k =-0.1234 0.1743 0.2136 ( 4933 PWs) bands (ev): -7.2064 -7.2063 -5.8215 -5.8199 -5.8126 -5.8112 -5.6829 -5.6798 0.4489 0.4506 1.3259 1.3408 1.7610 1.7658 2.2279 2.2382 2.3012 2.3077 2.9066 2.9139 2.9987 3.0092 3.3688 3.3707 3.4033 3.4050 3.6210 3.6265 3.7237 3.7417 3.8791 3.8971 5.2938 5.3089 5.4199 5.5324 5.5362 5.5583 5.5982 5.6072 5.7383 5.7408 5.9706 6.0407 6.0734 6.1245 6.8497 6.8592 6.9974 7.0073 7.2460 7.2530 10.2855 10.3011 10.5592 10.5609 11.5919 11.5956 11.6012 11.6052 11.6465 11.6492 k =-0.1152 0.1627 0.1994 ( 4937 PWs) bands (ev): -7.2301 -7.2301 -5.8033 -5.8018 -5.7953 -5.7941 -5.6837 -5.6809 0.4279 0.4295 1.3387 1.3536 1.7756 1.7812 2.2134 2.2240 2.2792 2.2859 2.9348 2.9441 2.9929 3.0043 3.3903 3.3987 3.4095 3.4173 3.6123 3.6162 3.7240 3.7405 3.8655 3.8835 5.2859 5.3014 5.4097 5.5343 5.5344 5.5522 5.5926 5.6086 5.7402 5.7417 5.9615 6.0284 6.0639 6.1162 6.8818 6.8919 7.0321 7.0413 7.2673 7.2736 10.1845 10.2000 10.4641 10.4659 11.5386 11.5386 11.6110 11.6167 11.6245 11.6277 k =-0.1069 0.1511 0.1851 ( 4933 PWs) bands (ev): -7.2524 -7.2524 -5.7861 -5.7847 -5.7789 -5.7778 -5.6845 -5.6819 0.4081 0.4095 1.3521 1.3668 1.7924 1.7988 2.2010 2.2116 2.2588 2.2658 2.9546 2.9666 2.9842 2.9975 3.3903 3.3959 3.4478 3.4518 3.6053 3.6073 3.7244 3.7392 3.8522 3.8697 5.2784 5.2936 5.4005 5.5298 5.5346 5.5435 5.5940 5.6123 5.7411 5.7468 5.9516 6.0165 6.0540 6.1065 6.9166 6.9269 7.0660 7.0745 7.2891 7.2947 10.0871 10.1023 10.3673 10.3691 11.4409 11.4412 11.6282 11.6334 11.6452 11.6487 k =-0.0987 0.1395 0.1709 ( 4929 PWs) bands (ev): -7.2731 -7.2731 -5.7700 -5.7687 -5.7634 -5.7626 -5.6853 -5.6829 0.3894 0.3906 1.3659 1.3803 1.8111 1.8184 2.1908 2.2014 2.2403 2.2477 2.9625 2.9717 2.9812 2.9908 3.3929 3.3978 3.4830 3.4846 3.6008 3.6011 3.7250 3.7380 3.8393 3.8561 5.2713 5.2856 5.3924 5.5238 5.5327 5.5331 5.6007 5.6181 5.7435 5.7534 5.9410 6.0051 6.0440 6.0952 6.9536 6.9639 7.0988 7.1064 7.3111 7.3159 9.9942 10.0089 10.2700 10.2718 11.3480 11.3481 11.6464 11.6513 11.6659 11.6691 k =-0.0905 0.1279 0.1566 ( 4917 PWs) bands (ev): -7.2923 -7.2923 -5.7550 -5.7539 -5.7490 -5.7484 -5.6860 -5.6839 0.3719 0.3730 1.3798 1.3939 1.8314 1.8395 2.1828 2.1931 2.2239 2.2316 2.9569 2.9577 2.9851 2.9857 3.4003 3.4048 3.5122 3.5133 3.5982 3.6014 3.7257 3.7368 3.8271 3.8428 5.2647 5.2777 5.3856 5.5172 5.5218 5.5303 5.6106 5.6256 5.7472 5.7613 5.9297 5.9943 6.0338 6.0825 6.9923 7.0023 7.1302 7.1370 7.3330 7.3371 9.9064 9.9205 10.1736 10.1754 11.2608 11.2609 11.6650 11.6695 11.6854 11.6881 k =-0.0823 0.1162 0.1424 ( 4909 PWs) bands (ev): -7.3100 -7.3100 -5.7412 -5.7403 -5.7357 -5.7352 -5.6866 -5.6848 0.3557 0.3567 1.3936 1.4072 1.8528 1.8617 2.1770 2.1867 2.2101 2.2178 2.9412 2.9430 2.9774 2.9800 3.4125 3.4168 3.5316 3.5355 3.6023 3.6086 3.7265 3.7356 3.8158 3.8301 5.2585 5.2697 5.3804 5.5082 5.5134 5.5265 5.6227 5.6344 5.7523 5.7702 5.9177 5.9841 6.0235 6.0685 7.0320 7.0417 7.1600 7.1660 7.3544 7.3577 9.8242 9.8377 10.0793 10.0811 11.1796 11.1800 11.6833 11.6873 11.7033 11.7055 k =-0.0740 0.1046 0.1282 ( 4925 PWs) bands (ev): -7.3260 -7.3260 -5.7287 -5.7278 -5.7235 -5.7232 -5.6872 -5.6857 0.3408 0.3417 1.4070 1.4199 1.8747 1.8843 2.1734 2.1818 2.1993 2.2066 2.9226 2.9253 2.9630 2.9668 3.4283 3.4325 3.5420 3.5471 3.6156 3.6234 3.7273 3.7344 3.8055 3.8181 5.2526 5.2620 5.3768 5.4974 5.5077 5.5222 5.6362 5.6441 5.7584 5.7798 5.9050 5.9745 6.0131 6.0530 7.0721 7.0814 7.1877 7.1930 7.3750 7.3777 9.7482 9.7608 9.9884 9.9902 11.1050 11.1056 11.7007 11.7042 11.7195 11.7211 k =-0.0658 0.0930 0.1139 ( 4929 PWs) bands (ev): -7.3404 -7.3404 -5.7176 -5.7167 -5.7124 -5.7124 -5.6875 -5.6864 0.3274 0.3282 1.4198 1.4319 1.8965 1.9067 2.1718 2.1779 2.1926 2.1984 2.9028 2.9055 2.9433 2.9474 3.4466 3.4505 3.5465 3.5512 3.6348 3.6424 3.7284 3.7333 3.7962 3.8069 5.2473 5.2547 5.3751 5.4867 5.5031 5.5178 5.6512 5.6545 5.7653 5.7899 5.8917 5.9655 6.0029 6.0365 7.1119 7.1207 7.2134 7.2180 7.3945 7.3966 9.6789 9.6905 9.9021 9.9038 11.0374 11.0381 11.7169 11.7198 11.7338 11.7348 k =-0.0576 0.0814 0.0997 ( 4935 PWs) bands (ev): -7.3531 -7.3531 -5.7078 -5.7068 -5.7028 -5.7027 -5.6875 -5.6870 0.3154 0.3161 1.4318 1.4428 1.9173 1.9278 2.1718 2.1748 2.1900 2.1935 2.8822 2.8847 2.9196 2.9237 3.4657 3.4694 3.5486 3.5523 3.6551 3.6620 3.7296 3.7323 3.7880 3.7967 5.2423 5.2480 5.3751 5.4763 5.4992 5.5133 5.6655 5.6673 5.7727 5.8002 5.8778 5.9572 5.9930 6.0191 7.1504 7.1587 7.2366 7.2408 7.4126 7.4141 9.6167 9.6272 9.8216 9.8233 10.9770 10.9778 11.7315 11.7338 11.7462 11.7467 k =-0.0494 0.0697 0.0854 ( 4935 PWs) bands (ev): -7.3642 -7.3642 -5.6999 -5.6983 -5.6947 -5.6946 -5.6870 -5.6868 0.3050 0.3056 1.4427 1.4526 1.9364 1.9467 2.1733 2.1735 2.1906 2.1920 2.8617 2.8639 2.8937 2.8975 3.4844 3.4877 3.5499 3.5527 3.6739 3.6801 3.7309 3.7314 3.7809 3.7874 5.2378 5.2420 5.3768 5.4664 5.4961 5.5091 5.6772 5.6843 5.7800 5.8103 5.8638 5.9493 5.9834 6.0012 7.1868 7.1945 7.2574 7.2612 7.4290 7.4301 9.5620 9.5713 9.7482 9.7497 10.9241 10.9249 11.7443 11.7460 11.7568 11.7569 k =-0.0411 0.0581 0.0712 ( 4939 PWs) bands (ev): -7.3736 -7.3736 -5.6947 -5.6919 -5.6895 -5.6885 -5.6845 -5.6838 0.2961 0.2966 1.4524 1.4609 1.9529 1.9626 2.1749 2.1760 2.1933 2.1937 2.8421 2.8438 2.8674 2.8708 3.5014 3.5042 3.5513 3.5533 3.6902 3.6960 3.7308 3.7325 3.7748 3.7792 5.2338 5.2367 5.3800 5.4567 5.4937 5.5051 5.6895 5.7019 5.7867 5.8188 5.8510 5.9419 5.9742 5.9834 7.2199 7.2269 7.2756 7.2791 7.4434 7.4441 9.5152 9.5232 9.6832 9.6845 10.8790 10.8797 11.7552 11.7562 11.7653 11.7658 k =-0.0329 0.0465 0.0570 ( 4931 PWs) bands (ev): -7.3813 -7.3813 -5.6926 -5.6905 -5.6844 -5.6835 -5.6794 -5.6791 0.2888 0.2891 1.4607 1.4676 1.9665 1.9749 2.1786 2.1798 2.1972 2.1976 2.8244 2.8256 2.8426 2.8453 3.5157 3.5181 3.5532 3.5546 3.7035 3.7089 3.7305 3.7343 3.7698 3.7722 5.2304 5.2323 5.3846 5.4473 5.4920 5.5016 5.7026 5.7198 5.7921 5.8197 5.8456 5.9343 5.9657 5.9667 7.2485 7.2547 7.2914 7.2945 7.4555 7.4560 9.4766 9.4831 9.6277 9.6288 10.8417 10.8424 11.7639 11.7645 11.7722 11.7731 k =-0.0247 0.0349 0.0427 ( 4935 PWs) bands (ev): -7.3873 -7.3873 -5.6920 -5.6907 -5.6797 -5.6792 -5.6749 -5.6748 0.2831 0.2833 1.4674 1.4728 1.9768 1.9834 2.1837 2.1842 2.2018 2.2025 2.8094 2.8101 2.8208 2.8227 3.5264 3.5282 3.5560 3.5569 3.7134 3.7185 3.7308 3.7360 3.7660 3.7666 5.2276 5.2288 5.3903 5.4382 5.4911 5.4984 5.7162 5.7373 5.7952 5.8090 5.8517 5.9252 5.9531 5.9580 7.2715 7.2766 7.3048 7.3075 7.4652 7.4655 9.4464 9.4514 9.5831 9.5839 10.8126 10.8132 11.7706 11.7708 11.7778 11.7788 k =-0.0165 0.0232 0.0285 ( 4935 PWs) bands (ev): -7.3916 -7.3916 -5.6917 -5.6909 -5.6764 -5.6761 -5.6716 -5.6715 0.2790 0.2792 1.4726 1.4762 1.9841 1.9887 2.1884 2.1884 2.2064 2.2073 2.7981 2.7981 2.8039 2.8048 3.5332 3.5344 3.5594 3.5599 3.7201 3.7242 3.7321 3.7373 3.7628 3.7632 5.2256 5.2263 5.3970 5.4293 5.4908 5.4958 5.7304 5.7535 5.7947 5.7952 5.8619 5.9133 5.9450 5.9513 7.2879 7.2914 7.3159 7.3177 7.4722 7.4724 9.4250 9.4283 9.5504 9.5510 10.7918 10.7921 11.7752 11.7752 11.7820 11.7828 k =-0.0082 0.0116 0.0142 ( 4941 PWs) bands (ev): -7.3942 -7.3942 -5.6916 -5.6912 -5.6743 -5.6742 -5.6696 -5.6696 0.2766 0.2766 1.4760 1.4779 1.9887 1.9910 2.1914 2.1916 2.2100 2.2106 2.7904 2.7911 2.7931 2.7933 3.5367 3.5373 3.5623 3.5625 3.7242 3.7263 3.7345 3.7375 3.7610 3.7616 5.2244 5.2247 5.4044 5.4206 5.4911 5.4937 5.7450 5.7653 5.7820 5.7914 5.8734 5.8996 5.9420 5.9460 7.2977 7.2994 7.3236 7.3245 7.4765 7.4766 9.4124 9.4141 9.5304 9.5307 10.7793 10.7795 11.7778 11.7778 11.7847 11.7851 k = 0.0000 0.0000 0.0000 ( 4941 PWs) bands (ev): -7.3950 -7.3950 -5.6914 -5.6914 -5.6736 -5.6736 -5.6689 -5.6689 0.2758 0.2758 1.4778 1.4778 1.9910 1.9910 2.1926 2.1926 2.2116 2.2116 2.7881 2.7881 2.7895 2.7895 3.5380 3.5380 3.5635 3.5635 3.7261 3.7261 3.7364 3.7364 3.7608 3.7608 5.2241 5.2241 5.4123 5.4123 5.4921 5.4921 5.7593 5.7593 5.7844 5.7844 5.8860 5.8860 5.9427 5.9427 7.3014 7.3014 7.3267 7.3267 7.4780 7.4780 9.4087 9.4087 9.5238 9.5238 10.7752 10.7752 11.7786 11.7786 11.7858 11.7858 k = 0.0000 0.0000 0.0000 ( 4941 PWs) bands (ev): -7.3950 -7.3950 -5.6914 -5.6914 -5.6736 -5.6736 -5.6689 -5.6689 0.2758 0.2758 1.4778 1.4778 1.9910 1.9910 2.1926 2.1926 2.2116 2.2116 2.7881 2.7881 2.7895 2.7895 3.5380 3.5380 3.5635 3.5635 3.7261 3.7261 3.7364 3.7364 3.7608 3.7608 5.2241 5.2241 5.4123 5.4123 5.4921 5.4921 5.7593 5.7593 5.7844 5.7844 5.8860 5.8860 5.9427 5.9427 7.3014 7.3014 7.3267 7.3267 7.4780 7.4780 9.4087 9.4087 9.5238 9.5238 10.7752 10.7752 11.7786 11.7786 11.7858 11.7858 k = 0.0161 0.0114-0.0000 ( 4937 PWs) bands (ev): -7.3942 -7.3942 -5.6929 -5.6929 -5.6736 -5.6736 -5.6689 -5.6689 0.2770 0.2770 1.4736 1.4736 1.9841 1.9841 2.2004 2.2004 2.2176 2.2176 2.7890 2.7890 2.7904 2.7904 3.5379 3.5379 3.5634 3.5634 3.7260 3.7260 3.7361 3.7361 3.7594 3.7594 5.2235 5.2235 5.4140 5.4140 5.4920 5.4920 5.7592 5.7592 5.7852 5.7852 5.8862 5.8862 5.9429 5.9429 7.2995 7.2995 7.3248 7.3248 7.4741 7.4741 9.4102 9.4102 9.5308 9.5308 10.7763 10.7763 11.7668 11.7668 11.7742 11.7742 k = 0.0323 0.0228-0.0000 ( 4933 PWs) bands (ev): -7.3917 -7.3917 -5.6974 -5.6974 -5.6738 -5.6738 -5.6691 -5.6691 0.2806 0.2806 1.4614 1.4614 1.9661 1.9661 2.2203 2.2203 2.2357 2.2357 2.7916 2.7916 2.7930 2.7930 3.5377 3.5377 3.5631 3.5631 3.7259 3.7259 3.7348 3.7348 3.7557 3.7557 5.2220 5.2220 5.4189 5.4189 5.4914 5.4914 5.7590 5.7590 5.7876 5.7876 5.8869 5.8869 5.9436 5.9436 7.2940 7.2940 7.3194 7.3194 7.4626 7.4626 9.4145 9.4145 9.5515 9.5515 10.7799 10.7799 11.7325 11.7325 11.7404 11.7404 k = 0.0484 0.0342-0.0000 ( 4933 PWs) bands (ev): -7.3875 -7.3875 -5.7049 -5.7049 -5.6740 -5.6740 -5.6694 -5.6694 0.2866 0.2866 1.4421 1.4421 1.9421 1.9421 2.2473 2.2473 2.2649 2.2649 2.7959 2.7959 2.7974 2.7974 3.5373 3.5373 3.5626 3.5626 3.7257 3.7257 3.7314 3.7314 3.7506 3.7506 5.2197 5.2197 5.4267 5.4267 5.4905 5.4905 5.7585 5.7585 5.7916 5.7916 5.8880 5.8880 5.9447 5.9447 7.2848 7.2848 7.3102 7.3102 7.4442 7.4442 9.4217 9.4217 9.5853 9.5853 10.7857 10.7857 11.6784 11.6784 11.6871 11.6871 k = 0.0645 0.0457-0.0000 ( 4933 PWs) bands (ev): -7.3816 -7.3816 -5.7153 -5.7153 -5.6744 -5.6744 -5.6697 -5.6697 0.2948 0.2948 1.4171 1.4171 1.9160 1.9160 2.2801 2.2801 2.3015 2.3015 2.8020 2.8020 2.8035 2.8035 3.5368 3.5368 3.5619 3.5619 3.7230 3.7230 3.7261 3.7261 3.7463 3.7463 5.2170 5.2170 5.4370 5.4370 5.4893 5.4893 5.7574 5.7574 5.7971 5.7971 5.8899 5.8899 5.9464 5.9464 7.2722 7.2722 7.2976 7.2976 7.4197 7.4197 9.4318 9.4318 9.6313 9.6313 10.7939 10.7939 11.6080 11.6080 11.6176 11.6176 k = 0.0806 0.0571-0.0000 ( 4925 PWs) bands (ev): -7.3740 -7.3740 -5.7286 -5.7286 -5.6748 -5.6748 -5.6702 -5.6702 0.3052 0.3052 1.3877 1.3877 1.8897 1.8897 2.3182 2.3182 2.3424 2.3424 2.8097 2.8097 2.8113 2.8113 3.5361 3.5361 3.5610 3.5610 3.7106 3.7106 3.7254 3.7254 3.7439 3.7439 5.2140 5.2140 5.4495 5.4495 5.4877 5.4877 5.7555 5.7555 5.8041 5.8041 5.8928 5.8928 5.9489 5.9489 7.2562 7.2562 7.2815 7.2815 7.3902 7.3902 9.4448 9.4448 9.6882 9.6882 10.8045 10.8045 11.5247 11.5247 11.5352 11.5352 k = 0.0968 0.0685-0.0000 ( 4929 PWs) bands (ev): -7.3648 -7.3648 -5.7447 -5.7447 -5.6753 -5.6753 -5.6708 -5.6708 0.3175 0.3175 1.3552 1.3552 1.8645 1.8645 2.3608 2.3608 2.3860 2.3860 2.8190 2.8190 2.8207 2.8207 3.5353 3.5353 3.5599 3.5599 3.6933 3.6933 3.7249 3.7249 3.7427 3.7427 5.2112 5.2112 5.4633 5.4633 5.4859 5.4859 5.7525 5.7525 5.8124 5.8124 5.8968 5.8968 5.9524 5.9524 7.2370 7.2370 7.2620 7.2620 7.3569 7.3569 9.4607 9.4607 9.7548 9.7548 10.8174 10.8174 11.4317 11.4317 11.4429 11.4429 k = 0.1129 0.0799-0.0000 ( 4941 PWs) bands (ev): -7.3539 -7.3539 -5.7635 -5.7635 -5.6759 -5.6759 -5.6714 -5.6714 0.3315 0.3315 1.3204 1.3204 1.8411 1.8411 2.4069 2.4069 2.4315 2.4315 2.8298 2.8298 2.8316 2.8316 3.5343 3.5343 3.5587 3.5587 3.6723 3.6723 3.7243 3.7243 3.7419 3.7419 5.2086 5.2086 5.4767 5.4767 5.4853 5.4853 5.7482 5.7482 5.8219 5.8219 5.9021 5.9021 5.9571 5.9571 7.2149 7.2149 7.2393 7.2393 7.3210 7.3210 9.4795 9.4795 9.8299 9.8299 10.8325 10.8325 11.3314 11.3314 11.3434 11.3434 k = 0.1290 0.0913-0.0000 ( 4933 PWs) bands (ev): -7.3414 -7.3414 -5.7848 -5.7848 -5.6765 -5.6765 -5.6721 -5.6721 0.3470 0.3470 1.2844 1.2844 1.8202 1.8202 2.4557 2.4557 2.4783 2.4783 2.8421 2.8421 2.8440 2.8440 3.5331 3.5331 3.5573 3.5573 3.6480 3.6480 3.7237 3.7237 3.7415 3.7415 5.2066 5.2066 5.4792 5.4792 5.4959 5.4959 5.7425 5.7425 5.8327 5.8327 5.9089 5.9089 5.9632 5.9632 7.1900 7.1900 7.2135 7.2135 7.2837 7.2837 9.5013 9.5013 9.9120 9.9120 10.8500 10.8500 11.2260 11.2260 11.2386 11.2386 k = 0.1452 0.1027-0.0000 ( 4917 PWs) bands (ev): -7.3273 -7.3273 -5.8087 -5.8087 -5.6772 -5.6772 -5.6729 -5.6729 0.3638 0.3638 1.2477 1.2477 1.8022 1.8022 2.5061 2.5061 2.5261 2.5261 2.8559 2.8559 2.8579 2.8579 3.5319 3.5319 3.5558 3.5558 3.6206 3.6206 3.7230 3.7230 3.7412 3.7412 5.2052 5.2052 5.4767 5.4767 5.5114 5.5114 5.7354 5.7354 5.8446 5.8446 5.9172 5.9172 5.9712 5.9712 7.1627 7.1627 7.1847 7.1847 7.2460 7.2460 9.5259 9.5259 10.0000 10.0000 10.8698 10.8698 11.1172 11.1172 11.1304 11.1304 k = 0.1613 0.1142-0.0000 ( 4921 PWs) bands (ev): -7.3116 -7.3116 -5.8348 -5.8348 -5.6780 -5.6780 -5.6738 -5.6738 0.3815 0.3815 1.2107 1.2107 1.7873 1.7873 2.5577 2.5577 2.5745 2.5745 2.8709 2.8709 2.8730 2.8730 3.5304 3.5304 3.5540 3.5540 3.5904 3.5904 3.7222 3.7222 3.7409 3.7409 5.2043 5.2043 5.4735 5.4735 5.5268 5.5268 5.7269 5.7269 5.8573 5.8573 5.9268 5.9268 5.9811 5.9811 7.1331 7.1331 7.1531 7.1531 7.2088 7.2088 9.5535 9.5535 10.0926 10.0926 10.8916 10.8916 11.0067 11.0067 11.0203 11.0203 k = 0.1774 0.1256-0.0000 ( 4917 PWs) bands (ev): -7.2942 -7.2942 -5.8632 -5.8632 -5.6788 -5.6788 -5.6747 -5.6747 0.3999 0.3999 1.1740 1.1740 1.7760 1.7760 2.6096 2.6096 2.6235 2.6235 2.8871 2.8871 2.8893 2.8893 3.5288 3.5288 3.5503 3.5503 3.5594 3.5594 3.7213 3.7213 3.7407 3.7407 5.2042 5.2042 5.4700 5.4700 5.5414 5.5414 5.7173 5.7173 5.8709 5.8709 5.9378 5.9378 5.9931 5.9931 7.1013 7.1013 7.1196 7.1196 7.1724 7.1724 9.5840 9.5840 10.1887 10.1887 10.8922 10.8922 10.9074 10.9074 10.9207 10.9207 k = 0.1935 0.1370-0.0000 ( 4925 PWs) bands (ev): -7.2753 -7.2753 -5.8936 -5.8936 -5.6796 -5.6796 -5.6757 -5.6757 0.4186 0.4186 1.1377 1.1377 1.7685 1.7685 2.6611 2.6611 2.6727 2.6727 2.9044 2.9044 2.9067 2.9067 3.5206 3.5206 3.5271 3.5271 3.5517 3.5517 3.7203 3.7203 3.7405 3.7405 5.2048 5.2048 5.4661 5.4661 5.5544 5.5544 5.7068 5.7068 5.8852 5.8852 5.9502 5.9502 6.0072 6.0072 7.0676 7.0676 7.0851 7.0851 7.1369 7.1369 9.6174 9.6174 10.2872 10.2872 10.7831 10.7831 10.7980 10.7980 10.9437 10.9437 k = 0.2097 0.1484-0.0000 ( 4945 PWs) bands (ev): -7.2549 -7.2549 -5.9259 -5.9259 -5.6805 -5.6805 -5.6767 -5.6767 0.4374 0.4374 1.1021 1.1021 1.7651 1.7651 2.7117 2.7117 2.7221 2.7221 2.9226 2.9226 2.9250 2.9250 3.4832 3.4832 3.5251 3.5251 3.5495 3.5495 3.7193 3.7193 3.7403 3.7403 5.2061 5.2061 5.4618 5.4618 5.5654 5.5654 5.6957 5.6957 5.9003 5.9003 5.9639 5.9639 6.0234 6.0234 7.0321 7.0321 7.0503 7.0503 7.1021 7.1021 9.6537 9.6537 10.3868 10.3868 10.6731 10.6731 10.6882 10.6882 10.9722 10.9722 k = 0.2258 0.1598-0.0000 ( 4937 PWs) bands (ev): -7.2329 -7.2329 -5.9600 -5.9600 -5.6814 -5.6814 -5.6778 -5.6778 0.4559 0.4559 1.0674 1.0674 1.7660 1.7660 2.7608 2.7608 2.7712 2.7712 2.9417 2.9417 2.9442 2.9442 3.4439 3.4439 3.5230 3.5230 3.5475 3.5475 3.7182 3.7182 3.7401 3.7401 5.2083 5.2083 5.4576 5.4576 5.5739 5.5739 5.6844 5.6844 5.9164 5.9164 5.9790 5.9790 6.0416 6.0416 6.9958 6.9958 7.0159 7.0159 7.0678 7.0678 9.6927 9.6927 10.4860 10.4860 10.5650 10.5650 10.5802 10.5802 11.0028 11.0028 k = 0.2419 0.1712-0.0000 ( 4957 PWs) bands (ev): -7.2095 -7.2095 -5.9956 -5.9956 -5.6823 -5.6823 -5.6788 -5.6788 0.4740 0.4740 1.0338 1.0338 1.7713 1.7713 2.8077 2.8077 2.8195 2.8195 2.9614 2.9614 2.9640 2.9640 3.4036 3.4036 3.5209 3.5209 3.5455 3.5455 3.7172 3.7172 3.7398 3.7398 5.2111 5.2111 5.4530 5.4530 5.5792 5.5792 5.6732 5.6732 5.9332 5.9332 5.9951 5.9951 6.0614 6.0614 6.9594 6.9594 6.9819 6.9819 7.0341 7.0341 9.7346 9.7346 10.4589 10.4589 10.4745 10.4745 10.5840 10.5840 11.0352 11.0352 k = 0.2581 0.1827-0.0000 ( 4941 PWs) bands (ev): -7.1845 -7.1845 -6.0327 -6.0327 -5.6832 -5.6832 -5.6799 -5.6799 0.4913 0.4913 1.0013 1.0013 1.7812 1.7812 2.8515 2.8515 2.8665 2.8665 2.9815 2.9815 2.9844 2.9844 3.3632 3.3632 3.5186 3.5186 3.5434 3.5434 3.7162 3.7162 3.7395 3.7395 5.2147 5.2147 5.4484 5.4484 5.5811 5.5811 5.6628 5.6628 5.9510 5.9510 6.0120 6.0120 6.0829 6.0829 6.9234 6.9234 6.9486 6.9486 7.0010 7.0010 9.7791 9.7791 10.3564 10.3564 10.3719 10.3719 10.6778 10.6778 11.0690 11.0690 k = 0.2742 0.1941-0.0000 ( 4941 PWs) bands (ev): -7.1582 -7.1582 -6.0711 -6.0711 -5.6841 -5.6841 -5.6810 -5.6810 0.5079 0.5079 0.9701 0.9701 1.7958 1.7958 2.8902 2.8902 2.9123 2.9123 3.0020 3.0020 3.0051 3.0051 3.3243 3.3243 3.5163 3.5163 3.5412 3.5412 3.7153 3.7153 3.7392 3.7392 5.2190 5.2190 5.4436 5.4436 5.5794 5.5794 5.6533 5.6533 5.9694 5.9694 6.0295 6.0295 6.1058 6.1058 6.8882 6.8882 6.9162 6.9162 6.9686 6.9686 9.8262 9.8262 10.2574 10.2574 10.2729 10.2729 10.7650 10.7650 11.1031 11.1031 k = 0.2903 0.2055-0.0000 ( 4957 PWs) bands (ev): -7.1304 -7.1304 -6.1106 -6.1106 -5.6849 -5.6849 -5.6820 -5.6820 0.5234 0.5234 0.9401 0.9401 1.8149 1.8149 2.9208 2.9208 2.9567 2.9567 3.0223 3.0223 3.0262 3.0262 3.2896 3.2896 3.5138 3.5138 3.5388 3.5388 3.7143 3.7143 3.7386 3.7386 5.2239 5.2239 5.4386 5.4386 5.5744 5.5744 5.6449 5.6449 5.9884 5.9884 6.0470 6.0470 6.1299 6.1299 6.8540 6.8540 6.8848 6.8848 6.9371 6.9371 9.8756 9.8756 10.1627 10.1627 10.1779 10.1779 10.8401 10.8401 11.1338 11.1338 k = 0.3065 0.2169-0.0000 ( 4953 PWs) bands (ev): -7.1013 -7.1013 -6.1510 -6.1510 -5.6858 -5.6858 -5.6831 -5.6831 0.5379 0.5379 0.9115 0.9115 1.8387 1.8387 2.9393 2.9393 2.9992 2.9992 3.0423 3.0423 3.0479 3.0479 3.2629 3.2629 3.5114 3.5114 3.5364 3.5364 3.7136 3.7136 3.7381 3.7381 5.2295 5.2295 5.4335 5.4335 5.5670 5.5670 5.6370 5.6370 6.0076 6.0076 6.0644 6.0644 6.1550 6.1550 6.8211 6.8211 6.8550 6.8550 6.9068 6.9068 9.9271 9.9271 10.0726 10.0726 10.0874 10.0874 10.8918 10.8918 11.1447 11.1447 k = 0.3226 0.2283-0.0000 ( 4953 PWs) bands (ev): -7.0709 -7.0709 -6.1923 -6.1923 -5.6866 -5.6866 -5.6841 -5.6841 0.5515 0.5515 0.8843 0.8843 1.8669 1.8669 2.9415 2.9415 3.0386 3.0386 3.0615 3.0615 3.0710 3.0710 3.2484 3.2484 3.5090 3.5090 3.5338 3.5338 3.7131 3.7131 3.7375 3.7375 5.2357 5.2357 5.4282 5.4282 5.5581 5.5581 5.6293 5.6293 6.0267 6.0267 6.0811 6.0811 6.1811 6.1811 6.7896 6.7896 6.8269 6.8269 6.8779 6.8779 9.9796 9.9796 9.9887 9.9887 10.0020 10.0020 10.9018 10.9018 11.1063 11.1063 k = 0.3387 0.2397-0.0000 ( 4933 PWs) bands (ev): -7.0391 -7.0391 -6.2343 -6.2343 -5.6873 -5.6873 -5.6850 -5.6850 0.5641 0.5641 0.8585 0.8585 1.8994 1.8994 2.9254 2.9254 3.0712 3.0712 3.0802 3.0802 3.0986 3.0986 3.2476 3.2476 3.5067 3.5067 3.5311 3.5311 3.7127 3.7127 3.7367 3.7367 5.2425 5.2425 5.4227 5.4227 5.5487 5.5487 5.6213 5.6213 6.0453 6.0453 6.0969 6.0969 6.2081 6.2081 6.7594 6.7594 6.8010 6.8010 6.8505 6.8505 9.9082 9.9082 9.9220 9.9220 10.0357 10.0357 10.8703 10.8703 11.0442 11.0442 k = 0.3548 0.2512-0.0000 ( 4965 PWs) bands (ev): -7.0062 -7.0062 -6.2768 -6.2768 -5.6880 -5.6880 -5.6859 -5.6859 0.5759 0.5759 0.8341 0.8341 1.9359 1.9359 2.8935 2.8935 3.0954 3.0954 3.0982 3.0982 3.1317 3.1317 3.2576 3.2576 3.5044 3.5044 3.5281 3.5281 3.7125 3.7125 3.7357 3.7357 5.2499 5.2499 5.4168 5.4168 5.5395 5.5395 5.6128 5.6128 6.0630 6.0630 6.1113 6.1113 6.2356 6.2356 6.7304 6.7304 6.7773 6.7773 6.8248 6.8248 9.8349 9.8349 9.8479 9.8479 10.0915 10.0915 10.8203 10.8203 10.9828 10.9828 k = 0.3710 0.2626-0.0000 ( 4961 PWs) bands (ev): -6.9721 -6.9721 -6.3198 -6.3198 -5.6887 -5.6887 -5.6868 -5.6868 0.5870 0.5870 0.8111 0.8111 1.9761 1.9761 2.8508 2.8508 3.1151 3.1151 3.1154 3.1154 3.1660 3.1660 3.2735 3.2735 3.5023 3.5023 3.5251 3.5251 3.7126 3.7126 3.7346 3.7346 5.2578 5.2578 5.4105 5.4105 5.5312 5.5312 5.6037 5.6037 6.0796 6.0796 6.1242 6.1242 6.2637 6.2637 6.7026 6.7026 6.7563 6.7563 6.8010 6.8010 9.7680 9.7680 9.7801 9.7801 10.1476 10.1476 10.7663 10.7663 10.9282 10.9282 k = 0.3871 0.2740-0.0000 ( 4965 PWs) bands (ev): -6.9368 -6.9368 -6.3630 -6.3630 -5.6892 -5.6892 -5.6876 -5.6876 0.5977 0.5977 0.7895 0.7895 2.0198 2.0198 2.8012 2.8012 3.1315 3.1315 3.1324 3.1324 3.1990 3.1990 3.2913 3.2913 3.5005 3.5005 3.5219 3.5219 3.7129 3.7129 3.7334 3.7334 5.2663 5.2663 5.4034 5.4034 5.5243 5.5243 5.5942 5.5942 6.0949 6.0949 6.1353 6.1353 6.2922 6.2922 6.6756 6.6756 6.7382 6.7382 6.7794 6.7794 9.7079 9.7079 9.7189 9.7189 10.2030 10.2030 10.7139 10.7139 10.8827 10.8827 k = 0.4032 0.2854-0.0000 ( 4981 PWs) bands (ev): -6.9005 -6.9005 -6.4064 -6.4064 -5.6897 -5.6897 -5.6883 -5.6883 0.6080 0.6080 0.7693 0.7693 2.0665 2.0665 2.7473 2.7473 3.1461 3.1461 3.1476 3.1476 3.2296 3.2296 3.3084 3.3084 3.4989 3.4989 3.5185 3.5185 3.7134 3.7134 3.7320 3.7320 5.2752 5.2752 5.3957 5.3957 5.5191 5.5191 5.5843 5.5843 6.1086 6.1086 6.1443 6.1443 6.3208 6.3208 6.6492 6.6492 6.7231 6.7231 6.7601 6.7601 9.6551 9.6551 9.6649 9.6649 10.2564 10.2564 10.6651 10.6651 10.8480 10.8480 k = 0.4194 0.2968-0.0000 ( 4973 PWs) bands (ev): -6.8631 -6.8631 -6.4497 -6.4497 -5.6901 -5.6901 -5.6889 -5.6889 0.6182 0.6182 0.7504 0.7504 2.1161 2.1161 2.6906 2.6906 3.1591 3.1591 3.1608 3.1608 3.2574 3.2574 3.3234 3.3234 3.4977 3.4977 3.5151 3.5151 3.7143 3.7143 3.7305 3.7305 5.2846 5.2846 5.3872 5.3872 5.5160 5.5160 5.5743 5.5743 6.1207 6.1207 6.1513 6.1513 6.3497 6.3497 6.6232 6.6232 6.7113 6.7113 6.7432 6.7432 9.6099 9.6099 9.6183 9.6183 10.3062 10.3062 10.6210 10.6210 10.8259 10.8259 k = 0.4355 0.3082-0.0000 ( 4965 PWs) bands (ev): -6.8248 -6.8248 -6.4931 -6.4931 -5.6904 -5.6904 -5.6895 -5.6895 0.6285 0.6285 0.7328 0.7328 2.1682 2.1682 2.6323 2.6323 3.1702 3.1702 3.1719 3.1719 3.2819 3.2819 3.3352 3.3352 3.4971 3.4971 3.5118 3.5118 3.7154 3.7154 3.7289 3.7289 5.2944 5.2944 5.3780 5.3780 5.5150 5.5150 5.5644 5.5644 6.1311 6.1311 6.1561 6.1561 6.3784 6.3784 6.5972 6.5972 6.7026 6.7026 6.7289 6.7289 9.5726 9.5726 9.5795 9.5795 10.3506 10.3506 10.5819 10.5819 10.8180 10.8180 k = 0.4516 0.3196-0.0000 ( 4966 PWs) bands (ev): -6.7856 -6.7856 -6.5362 -6.5362 -5.6906 -5.6906 -5.6899 -5.6899 0.6391 0.6391 0.7165 0.7165 2.2223 2.2223 2.5729 2.5729 3.1792 3.1792 3.1806 3.1806 3.3029 3.3029 3.3432 3.3432 3.4970 3.4970 3.5085 3.5085 3.7168 3.7168 3.7272 3.7272 5.3046 5.3046 5.3681 5.3681 5.5160 5.5160 5.5547 5.5547 6.1399 6.1399 6.1590 6.1590 6.4069 6.4069 6.5711 6.5711 6.6969 6.6969 6.7171 6.7171 9.5435 9.5435 9.5488 9.5488 10.3883 10.3883 10.5477 10.5477 10.8254 10.8254 k = 0.4677 0.3311-0.0000 ( 4954 PWs) bands (ev): -6.7456 -6.7456 -6.5791 -6.5791 -5.6908 -5.6908 -5.6903 -5.6903 0.6501 0.6501 0.7013 0.7013 2.2783 2.2783 2.5132 2.5132 3.1859 3.1859 3.1869 3.1869 3.3201 3.3201 3.3472 3.3472 3.4975 3.4975 3.5054 3.5054 3.7183 3.7183 3.7254 3.7254 5.3151 5.3151 5.3579 5.3579 5.5189 5.5189 5.5455 5.5455 6.1471 6.1471 6.1600 6.1600 6.4352 6.4352 6.5447 6.5447 6.6940 6.6940 6.7077 6.7077 9.5228 9.5228 9.5264 9.5264 10.4193 10.4193 10.5182 10.5182 10.8478 10.8478 k = 0.4839 0.3425-0.0000 ( 4954 PWs) bands (ev): -6.7049 -6.7049 -6.6215 -6.6215 -5.6908 -5.6908 -5.6906 -5.6906 0.6617 0.6617 0.6871 0.6871 2.3357 2.3357 2.4535 2.4535 3.1900 3.1900 3.1906 3.1906 3.3332 3.3332 3.3469 3.3469 3.4986 3.4986 3.5027 3.5027 3.7200 3.7200 3.7236 3.7236 5.3257 5.3257 5.3473 5.3473 5.5235 5.5235 5.5371 5.5371 6.1527 6.1527 6.1592 6.1592 6.4632 6.4632 6.5179 6.5179 6.6937 6.6937 6.7006 6.7006 9.5107 9.5107 9.5125 9.5125 10.4452 10.4452 10.4923 10.4923 10.8830 10.8830 k = 0.5000 0.3539-0.0000 ( 4954 PWs) bands (ev): -6.6635 -6.6635 -6.6635 -6.6635 -5.6907 -5.6907 -5.6907 -5.6907 0.6740 0.6740 0.6740 0.6740 2.3942 2.3942 2.3942 2.3942 3.1916 3.1916 3.1916 3.1916 3.3422 3.3422 3.3422 3.3422 3.5004 3.5004 3.5004 3.5004 3.7218 3.7218 3.7218 3.7218 5.3365 5.3365 5.3365 5.3365 5.5297 5.5297 5.5297 5.5297 6.1567 6.1567 6.1567 6.1567 6.4908 6.4908 6.4908 6.4908 6.6960 6.6960 6.6960 6.6960 9.5073 9.5073 9.5073 9.5073 10.4687 10.4687 10.4687 10.4687 10.9277 10.9277 k = 0.5000 0.3539-0.0000 ( 4954 PWs) bands (ev): -6.6635 -6.6635 -6.6635 -6.6635 -5.6907 -5.6907 -5.6907 -5.6907 0.6740 0.6740 0.6740 0.6740 2.3942 2.3942 2.3942 2.3942 3.1916 3.1916 3.1916 3.1916 3.3422 3.3422 3.3422 3.3422 3.5004 3.5004 3.5004 3.5004 3.7218 3.7218 3.7218 3.7218 5.3365 5.3365 5.3365 5.3365 5.5297 5.5297 5.5297 5.5297 6.1567 6.1567 6.1567 6.1567 6.4908 6.4908 6.4908 6.4908 6.6960 6.6960 6.6960 6.6960 9.5073 9.5073 9.5073 9.5073 10.4687 10.4687 10.4687 10.4687 10.9277 10.9277 k = 0.4919 0.3654 0.0141 ( 4954 PWs) bands (ev): -6.6630 -6.6629 -6.6629 -6.6628 -5.6922 -5.6922 -5.6908 -5.6906 0.6744 0.6750 0.6756 0.6756 2.3919 2.3921 2.3927 2.3930 3.1880 3.1884 3.1935 3.1940 3.3398 3.3406 3.3431 3.3433 3.4995 3.4997 3.5010 3.5028 3.7202 3.7206 3.7221 3.7224 5.3355 5.3371 5.3381 5.3389 5.5255 5.5284 5.5306 5.5330 6.1524 6.1551 6.1554 6.1608 6.4846 6.4857 6.4971 6.4975 6.6916 6.6932 6.6981 6.6992 9.5080 9.5083 9.5096 9.5113 10.4713 10.4718 10.4727 10.4728 10.9301 10.9310 k = 0.4837 0.3769 0.0282 ( 4956 PWs) bands (ev): -6.6614 -6.6612 -6.6611 -6.6610 -5.6965 -5.6965 -5.6908 -5.6903 0.6761 0.6774 0.6806 0.6806 2.3856 2.3861 2.3882 2.3887 3.1782 3.1789 3.1989 3.1999 3.3349 3.3366 3.3445 3.3448 3.4971 3.4974 3.5046 3.5080 3.7180 3.7188 3.7218 3.7224 5.3352 5.3403 5.3406 5.3442 5.5206 5.5265 5.5312 5.5356 6.1441 6.1494 6.1546 6.1661 6.4781 6.4818 6.5040 6.5059 6.6845 6.6883 6.7008 6.7027 9.5107 9.5111 9.5183 9.5217 10.4799 10.4809 10.4847 10.4849 10.9382 10.9404 k = 0.4756 0.3884 0.0423 ( 4968 PWs) bands (ev): -6.6587 -6.6584 -6.6582 -6.6579 -5.7037 -5.7037 -5.6907 -5.6899 0.6793 0.6811 0.6888 0.6889 2.3755 2.3764 2.3808 2.3817 3.1626 3.1633 3.2080 3.2095 3.3276 3.3300 3.3459 3.3467 3.4931 3.4936 3.5108 3.5155 3.7151 3.7163 3.7207 3.7216 5.3356 5.3431 5.3467 5.3523 5.5151 5.5240 5.5317 5.5375 6.1319 6.1389 6.1558 6.1725 6.4708 6.4786 6.5119 6.5156 6.6743 6.6805 6.7049 6.7076 9.5151 9.5158 9.5334 9.5384 10.4941 10.4955 10.5045 10.5049 10.9524 10.9558 k = 0.4674 0.3999 0.0564 ( 4980 PWs) bands (ev): -6.6549 -6.6546 -6.6540 -6.6537 -5.7137 -5.7137 -5.6905 -5.6895 0.6838 0.6862 0.7002 0.7003 2.3620 2.3631 2.3707 2.3719 3.1420 3.1425 3.2203 3.2222 3.3184 3.3212 3.3468 3.3482 3.4875 3.4884 3.5190 3.5250 3.7120 3.7132 3.7190 3.7205 5.3366 5.3465 5.3552 5.3630 5.5094 5.5208 5.5320 5.5390 6.1165 6.1247 6.1586 6.1794 6.4624 6.4755 6.5211 6.5260 6.6609 6.6700 6.7106 6.7142 9.5216 9.5224 9.5550 9.5616 10.5133 10.5149 10.5322 10.5326 10.9727 10.9775 k = 0.4593 0.4114 0.0705 ( 4976 PWs) bands (ev): -6.6500 -6.6496 -6.6486 -6.6482 -5.7265 -5.7264 -5.6902 -5.6889 0.6896 0.6926 0.7148 0.7149 2.3453 2.3469 2.3582 2.3597 3.1168 3.1169 3.2354 3.2377 3.3075 3.3105 3.3467 3.3488 3.4804 3.4817 3.5289 3.5359 3.7089 3.7096 3.7166 3.7193 5.3382 5.3502 5.3656 5.3761 5.5040 5.5170 5.5323 5.5404 6.0990 6.1077 6.1626 6.1866 6.4527 6.4719 6.5315 6.5365 6.6447 6.6573 6.7180 6.7226 9.5301 9.5311 9.5833 9.5912 10.5368 10.5385 10.5672 10.5678 10.9995 11.0057 k = 0.4511 0.4230 0.0846 ( 4960 PWs) bands (ev): -6.6441 -6.6436 -6.6421 -6.6416 -5.7419 -5.7418 -5.6898 -5.6883 0.6966 0.7003 0.7323 0.7324 2.3261 2.3281 2.3434 2.3453 3.0870 3.0874 3.2525 3.2555 3.2954 3.2985 3.3455 3.3480 3.4717 3.4737 3.5399 3.5478 3.7055 3.7061 3.7138 3.7181 5.3403 5.3543 5.3774 5.3911 5.4992 5.5125 5.5326 5.5419 6.0800 6.0886 6.1676 6.1934 6.4416 6.4675 6.5432 6.5464 6.6259 6.6432 6.7272 6.7330 9.5407 9.5418 9.6181 9.6274 10.5640 10.5654 10.6094 10.6099 11.0331 11.0409 k = 0.4430 0.4345 0.0987 ( 4958 PWs) bands (ev): -6.6372 -6.6366 -6.6343 -6.6338 -5.7598 -5.7598 -5.6893 -5.6876 0.7048 0.7091 0.7527 0.7528 2.3048 2.3073 2.3268 2.3290 3.0532 3.0542 3.2694 3.2740 3.2838 3.2864 3.3433 3.3456 3.4615 3.4642 3.5518 3.5604 3.7011 3.7041 3.7104 3.7172 5.3427 5.3584 5.3897 5.4077 5.4957 5.5074 5.5328 5.5435 6.0601 6.0680 6.1729 6.1993 6.4289 6.4619 6.5543 6.5559 6.6051 6.6292 6.7380 6.7452 9.5535 9.5547 9.6596 9.6700 10.5940 10.5950 10.6583 10.6587 11.0737 11.0832 k = 0.4348 0.4460 0.1128 ( 4954 PWs) bands (ev): -6.6293 -6.6287 -6.6255 -6.6248 -5.7802 -5.7801 -5.6887 -5.6868 0.7141 0.7191 0.7757 0.7758 2.2819 2.2849 2.3085 2.3111 3.0159 3.0175 3.2654 3.2694 3.2919 3.2977 3.3412 3.3413 3.4498 3.4534 3.5641 3.5735 3.6963 3.7029 3.7069 3.7169 5.3453 5.3624 5.4017 5.4254 5.4946 5.5021 5.5332 5.5457 6.0399 6.0467 6.1781 6.2038 6.4145 6.4550 6.5578 6.5695 6.5832 6.6183 6.7505 6.7592 9.5687 9.5699 9.7076 9.7190 10.6260 10.6265 10.7133 10.7136 11.1216 11.1328 k = 0.4267 0.4575 0.1269 ( 4948 PWs) bands (ev): -6.6204 -6.6197 -6.6155 -6.6148 -5.8028 -5.8028 -5.6881 -5.6860 0.7244 0.7300 0.8012 0.8013 2.2578 2.2613 2.2890 2.2919 2.9754 2.9774 3.2505 3.2543 3.3049 3.3186 3.3357 3.3436 3.4366 3.4412 3.5767 3.5867 3.6914 3.7015 3.7045 3.7172 5.3481 5.3662 5.4120 5.4436 5.4967 5.4969 5.5337 5.5488 6.0199 6.0252 6.1826 6.2067 6.3985 6.4464 6.5538 6.5597 6.5850 6.6143 6.7644 6.7749 9.5862 9.5874 9.7621 9.7744 10.6593 10.6594 10.7739 10.7739 11.1767 11.1897 k = 0.4185 0.4690 0.1410 ( 4944 PWs) bands (ev): -6.6106 -6.6099 -6.6044 -6.6036 -5.8276 -5.8276 -5.6874 -5.6851 0.7355 0.7417 0.8289 0.8290 2.2330 2.2371 2.2687 2.2719 2.9321 2.9345 3.2343 3.2379 3.3066 3.3237 3.3448 3.3569 3.4221 3.4279 3.5894 3.6000 3.6864 3.6979 3.7054 3.7182 5.3508 5.3695 5.4199 5.4617 5.4920 5.5028 5.5345 5.5530 6.0005 6.0040 6.1862 6.2076 6.3809 6.4356 6.5372 6.5423 6.6008 6.6176 6.7797 6.7920 9.6063 9.6075 9.8228 9.8358 10.6930 10.6939 10.8391 10.8393 11.2391 11.2537 k = 0.4104 0.4805 0.1551 ( 4952 PWs) bands (ev): -6.6000 -6.5992 -6.5922 -6.5913 -5.8544 -5.8544 -5.6867 -5.6842 0.7474 0.7542 0.8585 0.8586 2.2080 2.2126 2.2479 2.2515 2.8863 2.8890 3.2170 3.2206 3.2997 3.3137 3.3673 3.3776 3.4063 3.4133 3.6019 3.6131 3.6816 3.6938 3.7083 3.7198 5.3533 5.3722 5.4250 5.4783 5.4882 5.5125 5.5361 5.5589 5.9817 5.9832 6.1882 6.2064 6.3617 6.4222 6.5161 6.5272 6.6175 6.6252 6.7962 6.8104 9.6290 9.6301 9.8893 9.9030 10.7276 10.7291 10.9081 10.9086 11.3084 11.3246 k = 0.4022 0.4920 0.1692 ( 4952 PWs) bands (ev): -6.5886 -6.5877 -6.5789 -6.5780 -5.8829 -5.8829 -5.6859 -5.6832 0.7598 0.7673 0.8898 0.8898 2.1831 2.1882 2.2271 2.2310 2.8383 2.8412 3.1989 3.2023 3.2888 3.3010 3.3889 3.3890 3.3989 3.4014 3.6141 3.6257 3.6772 3.6899 3.7125 3.7221 5.3555 5.3741 5.4283 5.4828 5.4955 5.5233 5.5399 5.5674 5.9633 5.9642 6.1885 6.2031 6.3412 6.4058 6.4975 6.5113 6.6349 6.6349 6.8136 6.8297 9.6544 9.6553 9.9615 9.9756 10.7627 10.7649 10.9800 10.9810 11.3843 11.4020 k = 0.3941 0.5035 0.1833 ( 4952 PWs) bands (ev): -6.5765 -6.5756 -6.5646 -6.5636 -5.9131 -5.9130 -5.6851 -5.6822 0.7726 0.7807 0.9224 0.9225 2.1587 2.1644 2.2067 2.2109 2.7885 2.7915 3.1799 3.1833 3.2754 3.2863 3.3711 3.3799 3.4140 3.4250 3.6257 3.6375 3.6737 3.6865 3.7181 3.7250 5.3573 5.3751 5.4307 5.4801 5.5082 5.5304 5.5497 5.5788 5.9446 5.9478 6.1870 6.1979 6.3195 6.3862 6.4819 6.4958 6.6459 6.6529 6.8318 6.8497 9.6824 9.6832 10.0386 10.0531 10.7984 10.8013 11.0536 11.0551 11.4663 11.4852 k = 0.3859 0.5150 0.1974 ( 4952 PWs) bands (ev): -6.5638 -6.5628 -6.5493 -6.5482 -5.9445 -5.9444 -5.6843 -5.6811 0.7856 0.7943 0.9558 0.9560 2.1353 2.1414 2.1872 2.1917 2.7372 2.7403 3.1601 3.1634 3.2600 3.2697 3.3522 3.3623 3.4358 3.4486 3.6365 3.6477 3.6721 3.6841 3.7249 3.7284 5.3588 5.3753 5.4327 5.4780 5.5186 5.5337 5.5647 5.5931 5.9271 5.9329 6.1835 6.1910 6.2969 6.3642 6.4694 6.4816 6.6577 6.6712 6.8505 6.8701 9.7133 9.7139 10.1203 10.1350 10.8348 10.8382 11.1277 11.1296 11.5538 11.5739 k = 0.3778 0.5266 0.2115 ( 4964 PWs) bands (ev): -6.5508 -6.5497 -6.5330 -6.5319 -5.9770 -5.9769 -5.6834 -5.6801 0.7985 0.8077 0.9898 0.9901 2.1132 2.1197 2.1691 2.1739 2.6849 2.6879 3.1394 3.1426 3.2428 3.2514 3.3327 3.3437 3.4566 3.4713 3.6458 3.6546 3.6743 3.6833 3.7322 3.7327 5.3599 5.3747 5.4345 5.4764 5.5268 5.5360 5.5813 5.6096 5.9110 5.9194 6.1783 6.1825 6.2739 6.3406 6.4595 6.4688 6.6701 6.6894 6.8694 6.8906 9.7469 9.7473 10.2057 10.2206 10.8719 10.8757 11.2006 11.2029 11.6464 11.6675 k = 0.3696 0.5381 0.2256 ( 4968 PWs) bands (ev): -6.5374 -6.5363 -6.5158 -6.5146 -6.0103 -6.0102 -5.6826 -5.6791 0.8110 0.8208 1.0237 1.0242 2.0929 2.0997 2.1529 2.1580 2.6319 2.6346 3.1179 3.1210 3.2239 3.2315 3.3126 3.3246 3.4757 3.4922 3.6532 3.6579 3.6812 3.6850 3.7366 3.7416 5.3609 5.3736 5.4363 5.4754 5.5337 5.5382 5.5981 5.6274 5.8966 5.9074 6.1716 6.1729 6.2507 6.3165 6.4516 6.4578 6.6827 6.7074 6.8883 6.9109 9.7833 9.7835 10.2941 10.3090 10.9096 10.9138 11.2706 11.2734 11.7436 11.7654 k = 0.3615 0.5496 0.2397 ( 4960 PWs) bands (ev): -6.5241 -6.5230 -6.4977 -6.4964 -6.0439 -6.0438 -5.6817 -5.6780 0.8230 0.8333 1.0571 1.0578 2.0746 2.0816 2.1393 2.1445 2.5785 2.5809 3.0955 3.0986 3.2033 3.2100 3.2923 3.3051 3.4927 3.5107 3.6585 3.6605 3.6895 3.6901 3.7415 3.7515 5.3619 5.3722 5.4382 5.4750 5.5396 5.5408 5.6147 5.6457 5.8837 5.8969 6.1626 6.1637 6.2279 6.2926 6.4456 6.4485 6.6955 6.7248 6.9071 6.9308 9.8225 9.8225 10.3847 10.3994 10.9482 10.9526 11.3359 11.3391 11.8448 11.8671 k = 0.3534 0.5611 0.2538 ( 4956 PWs) bands (ev): -6.5113 -6.5101 -6.4788 -6.4774 -6.0774 -6.0772 -5.6808 -5.6770 0.8341 0.8448 1.0895 1.0905 2.0588 2.0659 2.1287 2.1341 2.5250 2.5270 3.0721 3.0752 3.1811 3.1870 3.2721 3.2855 3.5070 3.5259 3.6626 3.6647 3.6961 3.6994 3.7470 3.7622 5.3630 5.3706 5.4397 5.4748 5.5435 5.5450 5.6305 5.6639 5.8726 5.8878 6.1518 6.1549 6.2057 6.2694 6.4410 6.4412 6.7080 6.7413 6.9254 6.9500 9.8643 9.8646 10.4761 10.4907 10.9875 10.9920 11.3946 11.3981 11.9494 11.9721 k = 0.3452 0.5726 0.2679 ( 4946 PWs) bands (ev): -6.4994 -6.4982 -6.4590 -6.4575 -6.1102 -6.1099 -5.6800 -5.6760 0.8440 0.8550 1.1202 1.1215 2.0459 2.0528 2.1219 2.1273 2.4719 2.4733 3.0479 3.0510 3.1574 3.1626 3.2520 3.2661 3.5185 3.5372 3.6666 3.6710 3.7038 3.7087 3.7533 3.7737 5.3643 5.3690 5.4409 5.4748 5.5465 5.5500 5.6454 5.6817 5.8631 5.8802 6.1410 6.1457 6.1844 6.2476 6.4353 6.4382 6.7201 6.7566 6.9431 6.9684 9.9089 9.9094 10.5673 10.5816 11.0276 11.0322 11.4452 11.4488 12.0571 12.0798 k = 0.3371 0.5841 0.2820 ( 4948 PWs) bands (ev): -6.4893 -6.4881 -6.4384 -6.4369 -6.1412 -6.1409 -5.6792 -5.6751 0.8523 0.8637 1.1486 1.1504 2.0361 2.0425 2.1193 2.1247 2.4195 2.4202 3.0227 3.0260 3.1323 3.1368 3.2325 3.2469 3.5269 3.5448 3.6714 3.6790 3.7116 3.7177 3.7607 3.7860 5.3658 5.3674 5.4417 5.4750 5.5497 5.5545 5.6590 5.6986 5.8552 5.8737 6.1304 6.1362 6.1645 6.2272 6.4313 6.4368 6.7313 6.7705 6.9600 6.9857 9.9562 9.9569 10.6567 10.6705 11.0686 11.0733 11.4862 11.4899 12.1671 12.1896 k = 0.3289 0.5956 0.2961 ( 4940 PWs) bands (ev): -6.4821 -6.4810 -6.4171 -6.4156 -6.1693 -6.1689 -5.6784 -5.6742 0.8589 0.8704 1.1744 1.1766 2.0297 2.0353 2.1215 2.1268 2.3678 2.3683 2.9967 3.0000 3.1057 3.1098 3.2136 3.2284 3.5325 3.5490 3.6771 3.6876 3.7192 3.7266 3.7694 3.7991 5.3661 5.3675 5.4420 5.4754 5.5529 5.5587 5.6712 5.7145 5.8488 5.8683 6.1205 6.1265 6.1464 6.2086 6.4293 6.4369 6.7416 6.7828 6.9760 7.0018 10.0062 10.0070 10.7425 10.7557 11.1106 11.1153 11.5167 11.5204 12.2787 12.3006 k = 0.3208 0.6071 0.3102 ( 4944 PWs) bands (ev): -6.4793 -6.4784 -6.3952 -6.3936 -6.1929 -6.1923 -5.6777 -5.6734 0.8634 0.8750 1.1969 1.1998 2.0268 2.0311 2.1288 2.1340 2.3168 2.3188 2.9697 2.9733 3.0779 3.0815 3.1957 3.2107 3.5356 3.5507 3.6833 3.6956 3.7264 3.7353 3.7800 3.8128 5.3649 5.3695 5.4418 5.4758 5.5561 5.5625 5.6818 5.7291 5.8436 5.8639 6.1113 6.1162 6.1310 6.1920 6.4291 6.4385 6.7507 6.7933 6.9908 7.0165 10.0587 10.0597 10.8226 10.8351 11.1539 11.1587 11.5368 11.5404 12.3897 12.4084 k = 0.3126 0.6186 0.3243 ( 4936 PWs) bands (ev): -6.4827 -6.4819 -6.3726 -6.3709 -6.2101 -6.2093 -5.6770 -5.6726 0.8657 0.8771 1.2160 1.2195 2.0274 2.0295 2.1416 2.1464 2.2677 2.2717 2.9421 2.9459 3.0488 3.0520 3.1787 3.1940 3.5368 3.5506 3.6897 3.7023 3.7330 3.7433 3.7928 3.8270 5.3640 5.3717 5.4412 5.4764 5.5592 5.5660 5.6908 5.7421 5.8397 5.8602 6.1032 6.1042 6.1198 6.1776 6.4308 6.4418 6.7583 6.8018 7.0044 7.0299 10.1137 10.1149 10.8948 10.9064 11.1988 11.2036 11.5468 11.5503 12.4469 12.4573 k = 0.3126 0.6186 0.3243 ( 4936 PWs) bands (ev): -6.4827 -6.4819 -6.3726 -6.3709 -6.2101 -6.2093 -5.6770 -5.6726 0.8657 0.8771 1.2160 1.2195 2.0274 2.0295 2.1416 2.1464 2.2677 2.2717 2.9421 2.9459 3.0488 3.0520 3.1787 3.1940 3.5368 3.5506 3.6897 3.7023 3.7330 3.7433 3.7928 3.8270 5.3640 5.3717 5.4412 5.4764 5.5592 5.5660 5.6908 5.7421 5.8397 5.8602 6.1032 6.1042 6.1198 6.1776 6.4308 6.4418 6.7583 6.8018 7.0044 7.0299 10.1137 10.1149 10.8948 10.9064 11.1988 11.2036 11.5468 11.5503 12.4469 12.4573 k = 0.2942 0.6134 0.3307 ( 4945 PWs) bands (ev): -6.4903 -6.4895 -6.3605 -6.3589 -6.2129 -6.2119 -5.6770 -5.6726 0.8648 0.8761 1.2245 1.2282 2.0273 2.0280 2.1517 2.1562 2.2439 2.2493 2.9319 2.9358 3.0304 3.0346 3.1752 3.1905 3.5367 3.5502 3.6884 3.7013 3.7368 3.7476 3.8008 3.8345 5.3640 5.3731 5.4405 5.4762 5.5609 5.5675 5.6943 5.7470 5.8384 5.8588 6.0883 6.1096 6.1135 6.1773 6.4319 6.4441 6.7564 6.8002 7.0133 7.0385 10.1427 10.1444 10.9224 10.9334 11.2189 11.2237 11.5520 11.5557 12.4275 12.4387 k = 0.2758 0.6082 0.3371 ( 4949 PWs) bands (ev): -6.5031 -6.5022 -6.3503 -6.3488 -6.2074 -6.2061 -5.6777 -5.6733 0.8613 0.8722 1.2346 1.2384 2.0251 2.0262 2.1661 2.1697 2.2167 2.2243 2.9265 2.9304 3.0043 3.0094 3.1786 3.1935 3.5365 3.5497 3.6811 3.6948 3.7403 3.7525 3.8118 3.8437 5.3650 5.3751 5.4394 5.4752 5.5633 5.5691 5.6976 5.7511 5.8374 5.8574 6.0763 6.0993 6.1194 6.1846 6.4327 6.4467 6.7460 6.7904 7.0268 7.0513 10.1789 10.1816 10.9444 10.9549 11.2364 11.2411 11.5643 11.5687 12.3994 12.4089 k = 0.2575 0.6030 0.3435 ( 4945 PWs) bands (ev): -6.5177 -6.5168 -6.3462 -6.3449 -6.1926 -6.1910 -5.6792 -5.6747 0.8554 0.8657 1.2461 1.2498 2.0218 2.0253 2.1768 2.1838 2.1895 2.2030 2.9243 2.9289 2.9745 2.9787 3.1865 3.2011 3.5362 3.5494 3.6705 3.6849 3.7420 3.7561 3.8247 3.8540 5.3666 5.3777 5.4381 5.4734 5.5663 5.5709 5.7007 5.7543 5.8364 5.8562 6.0680 6.0882 6.1270 6.1951 6.4332 6.4495 6.7294 6.7748 7.0421 7.0658 10.2225 10.2263 10.9618 10.9718 11.2499 11.2544 11.5862 11.5913 12.3693 12.3772 k = 0.2391 0.5978 0.3498 ( 4946 PWs) bands (ev): -6.5327 -6.5318 -6.3480 -6.3469 -6.1704 -6.1684 -5.6815 -5.6770 0.8474 0.8570 1.2590 1.2625 2.0179 2.0248 2.1537 2.1653 2.2020 2.2102 2.9172 2.9277 2.9471 2.9504 3.1973 3.2114 3.5360 3.5491 3.6580 3.6728 3.7420 3.7579 3.8382 3.8650 5.3689 5.3804 5.4368 5.4712 5.5694 5.5727 5.7034 5.7565 5.8351 5.8547 6.0633 6.0800 6.1349 6.2068 6.4331 6.4521 6.7088 6.7553 7.0571 7.0798 10.2731 10.2779 10.9755 10.9849 11.2593 11.2637 11.6185 11.6241 12.3391 12.3457 k = 0.2207 0.5926 0.3562 ( 4941 PWs) bands (ev): -6.5473 -6.5464 -6.3535 -6.3525 -6.1435 -6.1413 -5.6848 -5.6802 0.8379 0.8467 1.2730 1.2761 2.0117 2.0231 2.1259 2.1421 2.2201 2.2267 2.8895 2.9018 2.9418 2.9473 3.2096 3.2233 3.5359 3.5489 3.6443 3.6594 3.7406 3.7579 3.8515 3.8758 5.3714 5.3831 5.4360 5.4690 5.5724 5.5747 5.7057 5.7578 5.8334 5.8529 6.0617 6.0758 6.1431 6.2193 6.4326 6.4544 6.6857 6.7332 7.0704 7.0918 10.3305 10.3363 10.9861 10.9950 11.2660 11.2701 11.6608 11.6667 12.3102 12.3156 k = 0.2023 0.5874 0.3626 ( 4941 PWs) bands (ev): -6.5612 -6.5603 -6.3608 -6.3600 -6.1142 -6.1118 -5.6890 -5.6844 0.8274 0.8353 1.2877 1.2904 2.0009 2.0164 2.1046 2.1250 2.2378 2.2437 2.8528 2.8636 2.9501 2.9545 3.2227 3.2360 3.5359 3.5488 3.6299 3.6452 3.7382 3.7564 3.8640 3.8861 5.3740 5.3852 5.4361 5.4672 5.5747 5.5773 5.7076 5.7580 5.8313 5.8506 6.0626 6.0761 6.1519 6.2322 6.4315 6.4563 6.6610 6.7095 7.0811 7.1013 10.3940 10.4008 10.9943 11.0026 11.2717 11.2757 11.7114 11.7174 12.2837 12.2881 k = 0.1839 0.5822 0.3690 ( 4946 PWs) bands (ev): -6.5741 -6.5734 -6.3689 -6.3681 -6.0840 -6.0813 -5.6943 -5.6897 0.8162 0.8233 1.3028 1.3051 1.9839 2.0004 2.0955 2.1170 2.2545 2.2600 2.8140 2.8240 2.9612 2.9650 3.2360 3.2489 3.5360 3.5487 3.6153 3.6305 3.7350 3.7537 3.8756 3.8956 5.3764 5.3864 5.4376 5.4663 5.5763 5.5800 5.7090 5.7572 5.8289 5.8478 6.0660 6.0803 6.1612 6.2455 6.4298 6.4578 6.6356 6.6848 7.0887 7.1077 10.4632 10.4708 11.0004 11.0082 11.2781 11.2821 11.7679 11.7739 12.2614 12.2649 k = 0.1655 0.5770 0.3753 ( 4946 PWs) bands (ev): -6.5861 -6.5854 -6.3770 -6.3763 -6.0536 -6.0507 -5.7007 -5.6962 0.8049 0.8111 1.3178 1.3198 1.9617 1.9764 2.0978 2.1176 2.2698 2.2748 2.7748 2.7841 2.9740 2.9773 3.2490 3.2615 3.5362 3.5484 3.6008 3.6160 3.7314 3.7500 3.8861 3.9041 5.3781 5.3864 5.4408 5.4666 5.5775 5.5824 5.7101 5.7553 5.8265 5.8444 6.0718 6.0876 6.1713 6.2591 6.4273 6.4588 6.6102 6.6597 7.0934 7.1111 10.5373 10.5457 11.0049 11.0121 11.2866 11.2905 11.8272 11.8331 12.2455 12.2483 k = 0.1471 0.5718 0.3817 ( 4952 PWs) bands (ev): -6.5969 -6.5963 -6.3848 -6.3842 -6.0235 -6.0205 -5.7083 -5.7038 0.7938 0.7993 1.3325 1.3341 1.9371 1.9493 2.1072 2.1248 2.2832 2.2879 2.7362 2.7448 2.9878 2.9908 3.2614 3.2733 3.5364 3.5480 3.5869 3.6019 3.7275 3.7456 3.8955 3.9115 5.3791 5.3855 5.4454 5.4683 5.5783 5.5843 5.7108 5.7523 5.8241 5.8408 6.0799 6.0967 6.1822 6.2731 6.4239 6.4594 6.5854 6.6343 7.0953 7.1117 10.6152 10.6241 11.0084 11.0151 11.2975 11.3013 11.8848 11.8905 12.2398 12.2423 k = 0.1287 0.5666 0.3881 ( 4948 PWs) bands (ev): -6.6066 -6.6060 -6.3919 -6.3914 -5.9941 -5.9909 -5.7172 -5.7127 0.7834 0.7880 1.3464 1.3476 1.9125 1.9224 2.1209 2.1365 2.2942 2.2987 2.6988 2.7068 3.0021 3.0047 3.2726 3.2840 3.5365 3.5472 3.5740 3.5890 3.7234 3.7407 3.9037 3.9178 5.3793 5.3839 5.4513 5.4715 5.5787 5.5855 5.7113 5.7485 5.8221 5.8371 6.0896 6.1068 6.1941 6.2873 6.4194 6.4597 6.5620 6.6090 7.0950 7.1100 10.6953 10.7046 11.0120 11.0182 11.3108 11.3143 11.9342 11.9395 12.2498 12.2527 k = 0.1103 0.5614 0.3945 ( 4944 PWs) bands (ev): -6.6150 -6.6145 -6.3984 -6.3979 -5.9657 -5.9623 -5.7274 -5.7229 0.7739 0.7777 1.3593 1.3602 1.8893 1.8974 2.1375 2.1516 2.3023 2.3068 2.6635 2.6707 3.0162 3.0186 3.2825 3.2931 3.5363 3.5460 3.5627 3.5779 3.7195 3.7355 3.9109 3.9231 5.3787 5.3822 5.4580 5.4759 5.5786 5.5861 5.7117 5.7440 5.8205 5.8335 6.1004 6.1171 6.2070 6.3016 6.4137 6.4596 6.5407 6.5843 7.0928 7.1064 10.7751 10.7842 11.0172 11.0230 11.3256 11.3289 11.9687 11.9733 12.2807 12.2846 k = 0.0919 0.5562 0.4009 ( 4946 PWs) bands (ev): -6.6222 -6.6218 -6.4039 -6.4036 -5.9383 -5.9349 -5.7389 -5.7345 0.7655 0.7686 1.3707 1.3713 1.8687 1.8751 2.1562 2.1692 2.3071 2.3118 2.6313 2.6376 3.0297 3.0319 3.2907 3.3003 3.5354 3.5445 3.5532 3.5690 3.7160 3.7302 3.9170 3.9272 5.3775 5.3803 5.4652 5.4809 5.5781 5.5859 5.7120 5.7392 5.8194 5.8302 6.1114 6.1268 6.2210 6.3153 6.4066 6.4590 6.5222 6.5603 7.0896 7.1015 10.8494 10.8577 11.0279 11.0335 11.3411 11.3441 11.9870 11.9907 12.3285 12.3356 k = 0.0736 0.5510 0.4072 ( 4950 PWs) bands (ev): -6.6281 -6.6277 -6.4086 -6.4083 -5.9123 -5.9087 -5.7518 -5.7475 0.7584 0.7609 1.3804 1.3809 1.8511 1.8561 2.1765 2.1885 2.3078 2.3130 2.6031 2.6083 3.0420 3.0440 3.2971 3.3054 3.5335 3.5433 3.5460 3.5625 3.7130 3.7251 3.9221 3.9303 5.3763 5.3785 5.4724 5.4859 5.5773 5.5849 5.7125 5.7342 5.8186 5.8272 6.1221 6.1354 6.2361 6.3272 6.3995 6.4579 6.5071 6.5377 7.0860 7.0960 10.9085 10.9144 11.0516 11.0575 11.3560 11.3586 11.9938 11.9965 12.3365 12.3576 k = 0.0552 0.5458 0.4136 ( 4948 PWs) bands (ev): -6.6327 -6.6324 -6.4122 -6.4120 -5.8877 -5.8840 -5.7661 -5.7618 0.7528 0.7547 1.3882 1.3885 1.8373 1.8409 2.1977 2.2089 2.3040 2.3099 2.5801 2.5841 3.0526 3.0543 3.3019 3.3085 3.5311 3.5391 3.5442 3.5579 3.7109 3.7204 3.9262 3.9324 5.3752 5.3769 5.4793 5.4903 5.5765 5.5832 5.7133 5.7296 5.8182 5.8247 6.1315 6.1422 6.2522 6.3337 6.3957 6.4554 6.4958 6.5175 7.0828 7.0905 10.9427 10.9456 11.0940 11.1004 11.3689 11.3712 11.9944 11.9964 12.2633 12.2804 k = 0.0368 0.5406 0.4200 ( 4944 PWs) bands (ev): -6.6359 -6.6358 -6.4148 -6.4147 -5.8647 -5.8610 -5.7814 -5.7774 0.7488 0.7501 1.3939 1.3941 1.8273 1.8297 2.2191 2.2292 2.2959 2.3025 2.5632 2.5659 3.0608 3.0621 3.3052 3.3099 3.5293 3.5347 3.5451 3.5543 3.7097 3.7163 3.9295 3.9336 5.3744 5.3756 5.4855 5.4933 5.5760 5.5812 5.7145 5.7253 5.8183 5.8226 6.1394 6.1467 6.2692 6.3307 6.3998 6.4500 6.4883 6.5013 7.0804 7.0857 10.9574 10.9588 11.1437 11.1493 11.3789 11.3807 11.9926 11.9938 12.1941 12.2062 k = 0.0184 0.5354 0.4264 ( 4943 PWs) bands (ev): -6.6379 -6.6378 -6.4164 -6.4163 -5.8441 -5.8408 -5.7971 -5.7935 0.7465 0.7472 1.3974 1.3975 1.8215 1.8226 2.2392 2.2475 2.2848 2.2913 2.5532 2.5545 3.0662 3.0668 3.3075 3.3099 3.5288 3.5315 3.5466 3.5513 3.7097 3.7131 3.9318 3.9339 5.3740 5.3747 5.4904 5.4945 5.5762 5.5791 5.7162 5.7216 5.8188 5.8209 6.1450 6.1488 6.2865 6.3193 6.4113 6.4398 6.4849 6.4908 7.0793 7.0820 10.9632 10.9638 11.1830 11.1862 11.3852 11.3862 11.9904 11.9910 12.1483 12.1547 k = 0.0000 0.5302 0.4327 ( 4956 PWs) bands (ev): -6.6385 -6.6385 -6.4169 -6.4169 -5.8309 -5.8309 -5.8053 -5.8053 0.7460 0.7460 1.3986 1.3986 1.8199 1.8199 2.2536 2.2536 2.2805 2.2805 2.5502 2.5502 3.0682 3.0682 3.3091 3.3091 3.5295 3.5295 3.5487 3.5487 3.7108 3.7108 3.9333 3.9333 5.3741 5.3741 5.4934 5.4934 5.5773 5.5773 5.7186 5.7186 5.8196 5.8196 6.1482 6.1482 6.3037 6.3037 6.4258 6.4258 6.4856 6.4856 7.0798 7.0798 10.9649 10.9649 11.1989 11.1989 11.3877 11.3877 11.9895 11.9895 12.1342 12.1342 k = 0.0000 0.5302 0.4327 ( 4956 PWs) bands (ev): -6.6385 -6.6385 -6.4169 -6.4169 -5.8309 -5.8309 -5.8053 -5.8053 0.7460 0.7460 1.3986 1.3986 1.8199 1.8199 2.2536 2.2536 2.2805 2.2805 2.5502 2.5502 3.0682 3.0682 3.3091 3.3091 3.5295 3.5295 3.5487 3.5487 3.7108 3.7108 3.9333 3.9333 5.3741 5.3741 5.4934 5.4934 5.5773 5.5773 5.7186 5.7186 5.8196 5.8196 6.1482 6.1482 6.3037 6.3037 6.4258 6.4258 6.4856 6.4856 7.0798 7.0798 10.9649 10.9649 11.1989 11.1989 11.3877 11.3877 11.9895 11.9895 12.1342 12.1342 k = 0.0081 0.5188 0.4467 ( 4962 PWs) bands (ev): -6.6381 -6.6380 -6.4165 -6.4164 -5.8315 -5.8313 -5.8057 -5.8056 0.7443 0.7447 1.3953 1.3956 1.8163 1.8163 2.2507 2.2516 2.2846 2.2854 2.5497 2.5502 3.0711 3.0744 3.3104 3.3113 3.5291 3.5302 3.5475 3.5490 3.7111 3.7125 3.9326 3.9331 5.3714 5.3764 5.4917 5.4952 5.5767 5.5779 5.7053 5.7310 5.8081 5.8347 6.1451 6.1515 6.2973 6.3097 6.4243 6.4272 6.4846 6.4931 7.0790 7.0796 10.9659 10.9659 11.1981 11.1983 11.3782 11.3785 11.9892 11.9892 12.1461 12.1462 k = 0.0161 0.5074 0.4607 ( 4948 PWs) bands (ev): -6.6366 -6.6364 -6.4152 -6.4151 -5.8329 -5.8326 -5.8066 -5.8064 0.7396 0.7406 1.3858 1.3863 1.8058 1.8058 2.2423 2.2442 2.2973 2.2992 2.5492 2.5504 3.0826 3.0892 3.3152 3.3169 3.5289 3.5311 3.5456 3.5486 3.7134 3.7159 3.9311 3.9321 5.3685 5.3783 5.4902 5.4971 5.5762 5.5788 5.6926 5.7398 5.8032 5.8521 6.1423 6.1549 6.2916 6.3150 6.4232 6.4292 6.4903 6.5057 7.0773 7.0785 10.9690 10.9690 11.1961 11.1965 11.3519 11.3526 11.9883 11.9888 12.1793 12.1799 k = 0.0242 0.4960 0.4746 ( 4938 PWs) bands (ev): -6.6341 -6.6338 -6.4132 -6.4130 -5.8352 -5.8348 -5.8081 -5.8079 0.7323 0.7337 1.3705 1.3711 1.7893 1.7893 2.2276 2.2306 2.3178 2.3207 2.5505 2.5525 3.1016 3.1112 3.3234 3.3258 3.5288 3.5321 3.5433 3.5476 3.7175 3.7211 3.9288 3.9303 5.3653 5.3798 5.4888 5.4990 5.5756 5.5798 5.6809 5.7415 5.8083 5.8711 6.1397 6.1581 6.2873 6.3194 6.4232 6.4322 6.5022 6.5224 7.0746 7.0764 10.9740 10.9740 11.1929 11.1936 11.3132 11.3141 11.9873 11.9886 12.2284 12.2301 k = 0.0323 0.4846 0.4886 ( 4944 PWs) bands (ev): -6.6306 -6.6302 -6.4103 -6.4101 -5.8385 -5.8380 -5.8101 -5.8099 0.7224 0.7243 1.3499 1.3507 1.7681 1.7682 2.2062 2.2101 2.3446 2.3483 2.5555 2.5585 3.1266 3.1387 3.3345 3.3376 3.5286 3.5325 3.5417 3.5464 3.7232 3.7276 3.9257 3.9276 5.3618 5.3808 5.4877 5.5009 5.5749 5.5808 5.6707 5.7373 5.8223 5.8913 6.1369 6.1606 6.2849 6.3233 6.4250 6.4365 6.5192 6.5422 7.0710 7.0734 10.9809 10.9809 11.1887 11.1897 11.2666 11.2678 11.9863 11.9886 12.2877 12.2908 k = 0.0403 0.4732 0.5025 ( 4944 PWs) bands (ev): -6.6261 -6.6257 -6.4066 -6.4063 -5.8427 -5.8420 -5.8128 -5.8125 0.7103 0.7126 1.3248 1.3257 1.7432 1.7433 2.1781 2.1826 2.3761 2.3807 2.5656 2.5694 3.1559 3.1704 3.3483 3.3519 3.5279 3.5313 3.5420 3.5458 3.7302 3.7352 3.9217 3.9241 5.3583 5.3814 5.4868 5.5029 5.5739 5.5819 5.6621 5.7308 5.8416 5.9124 6.1340 6.1619 6.2852 6.3276 6.4287 6.4421 6.5407 6.5645 7.0665 7.0695 10.9896 10.9897 11.1835 11.1851 11.2160 11.2179 11.9852 11.9884 12.3520 12.3567 k = 0.0484 0.4618 0.5165 ( 4942 PWs) bands (ev): -6.6206 -6.6201 -6.4020 -6.4017 -5.8477 -5.8469 -5.8161 -5.8157 0.6963 0.6990 1.2960 1.2969 1.7155 1.7157 2.1441 2.1490 2.4110 2.4165 2.5811 2.5857 3.1882 3.2047 3.3642 3.3681 3.5267 3.5291 3.5441 3.5464 3.7385 3.7438 3.9168 3.9198 5.3546 5.3816 5.4861 5.5049 5.5727 5.5828 5.6556 5.7242 5.8641 5.9343 6.1309 6.1618 6.2884 6.3333 6.4343 6.4489 6.5657 6.5891 7.0612 7.0646 10.9999 11.0000 11.1631 11.1636 11.1808 11.1815 11.9835 11.9877 12.4165 12.4229 k = 0.0565 0.4504 0.5304 ( 4936 PWs) bands (ev): -6.6142 -6.6136 -6.3967 -6.3964 -5.8536 -5.8527 -5.8199 -5.8194 0.6808 0.6838 1.2642 1.2651 1.6857 1.6859 2.1052 2.1102 2.4485 2.4547 2.6017 2.6069 3.2222 3.2405 3.3815 3.3853 3.5253 3.5272 3.5475 3.5483 3.7476 3.7530 3.9111 3.9146 5.3510 5.3814 5.4857 5.5070 5.5714 5.5833 5.6511 5.7184 5.8888 5.9566 6.1275 6.1599 6.2947 6.3409 6.4414 6.4570 6.5938 6.6155 7.0550 7.0590 11.0114 11.0116 11.1127 11.1134 11.1752 11.1760 11.9809 11.9860 12.4768 12.4846 k = 0.0645 0.4390 0.5444 ( 4934 PWs) bands (ev): -6.6068 -6.6061 -6.3907 -6.3903 -5.8605 -5.8594 -5.8243 -5.8238 0.6641 0.6674 1.2301 1.2310 1.6542 1.6545 2.0625 2.0674 2.4876 2.4946 2.6267 2.6325 3.2570 3.2769 3.3992 3.4025 3.5244 3.5266 3.5515 3.5517 3.7573 3.7627 3.9046 3.9085 5.3475 5.3808 5.4855 5.5093 5.5699 5.5834 5.6490 5.7137 5.9153 5.9790 6.1244 6.1562 6.3039 6.3509 6.4497 6.4660 6.6244 6.6435 7.0483 7.0527 11.0237 11.0240 11.0637 11.0646 11.1709 11.1721 11.9768 11.9829 12.4784 12.4795 k = 0.0726 0.4276 0.5584 ( 4936 PWs) bands (ev): -6.5984 -6.5976 -6.3839 -6.3834 -5.8681 -5.8669 -5.8293 -5.8287 0.6466 0.6503 1.1944 1.1953 1.6215 1.6219 2.0170 2.0217 2.5278 2.5355 2.6554 2.6616 3.2917 3.3130 3.4159 3.4181 3.5253 3.5287 3.5561 3.5568 3.7675 3.7727 3.8972 3.9016 5.3442 5.3798 5.4853 5.5116 5.5684 5.5829 5.6490 5.7101 5.9433 6.0008 6.1220 6.1511 6.3158 6.3634 6.4589 6.4759 6.6568 6.6729 7.0409 7.0457 11.0176 11.0183 11.0363 11.0370 11.1682 11.1698 11.9707 11.9776 12.4284 12.4313 k = 0.0806 0.4162 0.5723 ( 4932 PWs) bands (ev): -6.5892 -6.5883 -6.3764 -6.3758 -5.8766 -5.8753 -5.8349 -5.8343 0.6288 0.6327 1.1576 1.1584 1.5880 1.5886 1.9696 1.9741 2.5687 2.5769 2.6870 2.6936 3.3259 3.3482 3.4301 3.4306 3.5294 3.5347 3.5619 3.5628 3.7779 3.7829 3.8890 3.8940 5.3412 5.3786 5.4850 5.5141 5.5671 5.5823 5.6511 5.7075 5.9726 6.0211 6.1218 6.1448 6.3302 6.3781 6.4689 6.4864 6.6907 6.7033 7.0332 7.0383 10.9752 10.9759 11.0482 11.0490 11.1678 11.1699 11.9620 11.9695 12.3744 12.3790 k = 0.0887 0.4048 0.5863 ( 4932 PWs) bands (ev): -6.5790 -6.5781 -6.3682 -6.3676 -5.8859 -5.8845 -5.8410 -5.8404 0.6109 0.6150 1.1203 1.1210 1.5540 1.5547 1.9211 1.9252 2.6099 2.6187 2.7208 2.7277 3.3587 3.3815 3.4386 3.4403 3.5380 3.5455 3.5694 3.5699 3.7883 3.7930 3.8800 3.8856 5.3386 5.3772 5.4846 5.5165 5.5663 5.5818 5.6547 5.7058 6.0031 6.0380 6.1255 6.1380 6.3466 6.3946 6.4793 6.4973 6.7256 6.7345 7.0253 7.0308 10.9368 10.9374 11.0582 11.0593 11.1709 11.1735 11.9500 11.9581 12.3180 12.3244 k = 0.0968 0.3934 0.6002 ( 4934 PWs) bands (ev): -6.5680 -6.5670 -6.3593 -6.3587 -5.8960 -5.8945 -5.8478 -5.8470 0.5933 0.5976 1.0826 1.0834 1.5200 1.5208 1.8718 1.8757 2.6512 2.6605 2.7562 2.7632 3.3896 3.4115 3.4425 3.4470 3.5510 3.5605 3.5782 3.5788 3.7987 3.8031 3.8703 3.8766 5.3363 5.3755 5.4839 5.5189 5.5661 5.5817 5.6595 5.7048 6.0344 6.0495 6.1310 6.1354 6.3647 6.4127 6.4900 6.5083 6.7609 6.7660 7.0177 7.0233 10.9028 10.9032 11.0656 11.0670 11.1782 11.1812 11.9342 11.9426 12.2609 12.2688 k = 0.1048 0.3820 0.6142 ( 4934 PWs) bands (ev): -6.5562 -6.5551 -6.3499 -6.3492 -5.9068 -5.9052 -5.8551 -5.8543 0.5762 0.5806 1.0452 1.0459 1.4861 1.4870 1.8225 1.8260 2.6923 2.7021 2.7926 2.7997 3.4171 3.4321 3.4445 3.4567 3.5666 3.5776 3.5883 3.5906 3.8087 3.8131 3.8601 3.8673 5.3345 5.3738 5.4828 5.5210 5.5666 5.5823 5.6651 5.7043 6.0551 6.0652 6.1252 6.1519 6.3841 6.4319 6.5009 6.5193 6.7961 6.7975 7.0106 7.0164 10.8732 10.8735 11.0700 11.0717 11.1898 11.1931 11.9142 11.9228 12.2047 12.2140 k = 0.1129 0.3706 0.6282 ( 4930 PWs) bands (ev): -6.5436 -6.5424 -6.3399 -6.3392 -5.9184 -5.9167 -5.8629 -5.8621 0.5599 0.5645 1.0081 1.0088 1.4527 1.4537 1.7735 1.7766 2.7332 2.7434 2.8294 2.8367 3.4325 3.4364 3.4541 3.4773 3.5829 3.5931 3.6026 3.6054 3.8180 3.8226 3.8497 3.8580 5.3332 5.3720 5.4813 5.5227 5.5681 5.5841 5.6712 5.7042 6.0565 6.0908 6.1255 6.1734 6.4043 6.4516 6.5118 6.5300 6.8284 6.8305 7.0047 7.0106 10.8481 10.8483 11.0720 11.0737 11.2047 11.2083 11.8899 11.8984 12.1508 12.1615 k = 0.1210 0.3593 0.6421 ( 4930 PWs) bands (ev): -6.5302 -6.5289 -6.3294 -6.3287 -5.9306 -5.9288 -5.8713 -5.8705 0.5447 0.5494 0.9715 0.9724 1.4201 1.4212 1.7250 1.7278 2.7738 2.7844 2.8663 2.8735 3.4322 3.4342 3.4752 3.4996 3.5987 3.6055 3.6210 3.6225 3.8255 3.8306 3.8405 3.8503 5.3324 5.3703 5.4794 5.5240 5.5705 5.5870 5.6776 5.7043 6.0560 6.0976 6.1453 6.1976 6.4250 6.4710 6.5231 6.5404 6.8581 6.8633 7.0004 7.0066 10.8275 10.8275 11.0720 11.0739 11.2217 11.2254 11.8615 11.8698 12.1009 12.1127 k = 0.1290 0.3479 0.6561 ( 4930 PWs) bands (ev): -6.5161 -6.5148 -6.3184 -6.3177 -5.9434 -5.9416 -5.8803 -5.8794 0.5308 0.5356 0.9358 0.9367 1.3887 1.3898 1.6775 1.6800 2.8139 2.8248 2.9028 2.9099 3.4284 3.4299 3.4965 3.5199 3.6138 3.6172 3.6399 3.6407 3.8266 3.8276 3.8433 3.8482 5.3322 5.3686 5.4771 5.5249 5.5738 5.5912 5.6839 5.7045 6.0546 6.0940 6.1756 6.2228 6.4454 6.4891 6.5356 6.5507 6.8856 6.8934 6.9989 7.0055 10.8111 10.8112 11.0708 11.0727 11.2394 11.2432 11.8294 11.8374 12.0565 12.0691 k = 0.1371 0.3365 0.6700 ( 4930 PWs) bands (ev): -6.5013 -6.4999 -6.3071 -6.3063 -5.9568 -5.9549 -5.8897 -5.8888 0.5182 0.5231 0.9009 0.9019 1.3587 1.3598 1.6311 1.6333 2.8535 2.8647 2.9386 2.9455 3.4234 3.4247 3.5158 3.5381 3.6275 3.6279 3.6578 3.6587 3.8178 3.8233 3.8518 3.8533 5.3325 5.3670 5.4745 5.5254 5.5779 5.5965 5.6900 5.7047 6.0532 6.0891 6.2069 6.2479 6.4652 6.5048 6.5503 6.5614 6.9098 6.9191 7.0011 7.0090 10.7989 10.7990 11.0685 11.0705 11.2565 11.2603 11.7945 11.8019 12.0190 12.0322 k = 0.1452 0.3251 0.6840 ( 4936 PWs) bands (ev): -6.4858 -6.4844 -6.2956 -6.2947 -5.9706 -5.9687 -5.8997 -5.8988 0.5073 0.5122 0.8670 0.8681 1.3304 1.3314 1.5862 1.5881 2.8926 2.9040 2.9733 2.9799 3.4178 3.4188 3.5331 3.5544 3.6366 3.6384 3.6743 3.6758 3.8105 3.8185 3.8604 3.8607 5.3333 5.3655 5.4716 5.5255 5.5826 5.6027 5.6957 5.7048 6.0522 6.0845 6.2368 6.2715 6.4837 6.5176 6.5678 6.5730 6.9295 6.9386 7.0081 7.0185 10.7906 10.7908 11.0653 11.0674 11.2721 11.2757 11.7575 11.7644 11.9898 12.0034 k = 0.1532 0.3137 0.6980 ( 4936 PWs) bands (ev): -6.4698 -6.4683 -6.2838 -6.2830 -5.9848 -5.9828 -5.9102 -5.9092 0.4981 0.5030 0.8342 0.8354 1.3040 1.3051 1.5428 1.5445 2.9312 2.9427 3.0067 3.0130 3.4119 3.4126 3.5486 3.5693 3.6417 3.6448 3.6891 3.6916 3.8062 3.8163 3.8685 3.8688 5.3345 5.3642 5.4686 5.5255 5.5879 5.6098 5.7009 5.7048 6.0521 6.0808 6.2634 6.2923 6.5009 6.5290 6.5864 6.5874 6.9443 6.9519 7.0201 7.0339 10.7860 10.7861 11.0610 11.0631 11.2853 11.2885 11.7193 11.7256 11.9702 11.9838 k = 0.1613 0.3023 0.7119 ( 4930 PWs) bands (ev): -6.4533 -6.4517 -6.2721 -6.2712 -5.9991 -5.9971 -5.9211 -5.9201 0.4907 0.4957 0.8025 0.8039 1.2798 1.2809 1.5013 1.5028 2.9691 2.9807 3.0386 3.0444 3.4057 3.4061 3.5624 3.5831 3.6422 3.6455 3.7020 3.7060 3.8058 3.8177 3.8761 3.8770 5.3362 5.3630 5.4656 5.5255 5.5936 5.6176 5.7047 5.7054 6.0530 6.0783 6.2849 6.3086 6.5173 6.5410 6.6017 6.6081 6.9557 6.9615 7.0353 7.0525 10.7847 10.7848 11.0553 11.0575 11.2956 11.2983 11.6808 11.6865 11.9608 11.9742 k = 0.1694 0.2909 0.7259 ( 4928 PWs) bands (ev): -6.4362 -6.4346 -6.2605 -6.2597 -6.0135 -6.0115 -5.9324 -5.9314 0.4852 0.4901 0.7719 0.7735 1.2581 1.2591 1.4617 1.4630 3.0063 3.0180 3.0688 3.0740 3.3993 3.3996 3.5742 3.5954 3.6382 3.6412 3.7128 3.7189 3.8094 3.8226 3.8835 3.8848 5.3383 5.3620 5.4625 5.5253 5.5995 5.6258 5.7045 5.7093 6.0550 6.0771 6.3000 6.3190 6.5342 6.5553 6.6188 6.6287 6.9654 6.9698 7.0514 7.0714 10.7864 10.7864 11.0480 11.0502 11.3033 11.3052 11.6427 11.6477 11.9618 11.9746 k = 0.1774 0.2795 0.7398 ( 4930 PWs) bands (ev): -6.4188 -6.4172 -6.2494 -6.2486 -6.0277 -6.0257 -5.9441 -5.9431 0.4817 0.4866 0.7426 0.7444 1.2390 1.2399 1.4243 1.4254 3.0427 3.0545 3.0972 3.1017 3.3928 3.3929 3.5820 3.6033 3.6323 3.6356 3.7215 3.7298 3.8161 3.8302 3.8905 3.8921 5.3406 5.3611 5.4593 5.5252 5.6055 5.6344 5.7043 5.7124 6.0583 6.0774 6.3078 6.3229 6.5525 6.5729 6.6369 6.6489 6.9747 6.9780 7.0667 7.0890 10.7906 10.7907 11.0388 11.0411 11.3087 11.3098 11.6056 11.6100 11.9726 11.9847 k = 0.1855 0.2681 0.7538 ( 4928 PWs) bands (ev): -6.4010 -6.3993 -6.2391 -6.2384 -6.0411 -6.0392 -5.9561 -5.9551 0.4801 0.4850 0.7145 0.7165 1.2227 1.2235 1.3892 1.3902 3.0780 3.0899 3.1238 3.1275 3.3863 3.3864 3.5816 3.5991 3.6302 3.6378 3.7279 3.7386 3.8250 3.8393 3.8970 3.8989 5.3431 5.3603 5.4563 5.5251 5.6114 5.6431 5.7039 5.7146 6.0631 6.0794 6.3085 6.3205 6.5724 6.5936 6.6551 6.6680 6.9843 6.9868 7.0800 7.1041 10.7970 10.7973 11.0277 11.0299 11.3127 11.3130 11.5700 11.5737 11.9923 12.0034 k = 0.1935 0.2567 0.7678 ( 4926 PWs) bands (ev): -6.3830 -6.3813 -6.2302 -6.2296 -6.0534 -6.0517 -5.9685 -5.9675 0.4807 0.4855 0.6877 0.6899 1.2094 1.2101 1.3565 1.3573 3.1121 3.1239 3.1485 3.1515 3.3800 3.3802 3.5705 3.5838 3.6352 3.6476 3.7320 3.7452 3.8349 3.8489 3.9031 3.9050 5.3458 5.3597 5.4534 5.5250 5.6171 5.6518 5.7034 5.7161 6.0693 6.0830 6.3032 6.3127 6.5933 6.6163 6.6729 6.6857 6.9944 6.9963 7.0908 7.1164 10.8053 10.8059 11.0146 11.0169 11.3158 11.3161 11.5363 11.5395 12.0192 12.0294 k = 0.2016 0.2453 0.7817 ( 4926 PWs) bands (ev): -6.3648 -6.3630 -6.2233 -6.2229 -6.0637 -6.0622 -5.9810 -5.9800 0.4832 0.4880 0.6623 0.6647 1.1991 1.1998 1.3264 1.3271 3.1442 3.1558 3.1717 3.1740 3.3741 3.3746 3.5525 3.5637 3.6445 3.6597 3.7340 3.7495 3.8449 3.8583 3.9086 3.9104 5.3484 5.3592 5.4507 5.5249 5.6224 5.6603 5.7029 5.7166 6.0770 6.0883 6.2935 6.3009 6.6140 6.6396 6.6895 6.7015 7.0047 7.0064 7.0989 7.1257 10.8153 10.8161 10.9998 11.0022 11.3189 11.3198 11.5049 11.5074 12.0516 12.0608 k = 0.2097 0.2339 0.7957 ( 4926 PWs) bands (ev): -6.3465 -6.3447 -6.2195 -6.2194 -6.0711 -6.0699 -5.9937 -5.9927 0.4878 0.4925 0.6382 0.6409 1.1921 1.1926 1.2990 1.2996 3.1734 3.1835 3.1937 3.1963 3.3693 3.3702 3.5308 3.5410 3.6552 3.6721 3.7340 3.7515 3.8543 3.8669 3.9133 3.9149 5.3510 5.3589 5.4482 5.5249 5.6271 5.6686 5.7024 5.7163 6.0860 6.0951 6.2807 6.2864 6.6335 6.6622 6.7046 6.7151 7.0153 7.0167 7.1041 7.1319 10.8267 10.8277 10.9838 10.9862 11.3231 11.3244 11.4760 11.4779 12.0876 12.0960 k = 0.2177 0.2225 0.8096 ( 4918 PWs) bands (ev): -6.3282 -6.3265 -6.2198 -6.2196 -6.0748 -6.0739 -6.0064 -6.0055 0.4945 0.4990 0.6156 0.6185 1.1882 1.1887 1.2744 1.2749 3.1979 3.2046 3.2152 3.2197 3.3664 3.3682 3.5070 3.5166 3.6661 3.6842 3.7322 3.7516 3.8628 3.8744 3.9173 3.9185 5.3533 5.3586 5.4461 5.5249 5.6312 5.6764 5.7019 5.7151 6.0962 6.1033 6.2664 6.2706 6.6507 6.6827 6.7177 6.7261 7.0257 7.0269 7.1067 7.1354 10.8393 10.8405 10.9669 10.9694 11.3287 11.3302 11.4498 11.4511 12.1254 12.1328 k = 0.2258 0.2111 0.8236 ( 4924 PWs) bands (ev): -6.3102 -6.3085 -6.2246 -6.2240 -6.0743 -6.0738 -6.0189 -6.0181 0.5031 0.5075 0.5945 0.5976 1.1877 1.1881 1.2527 1.2531 3.2170 3.2209 3.2348 3.2405 3.3672 3.3704 3.4821 3.4912 3.6768 3.6954 3.7288 3.7498 3.8698 3.8806 3.9204 3.9212 5.3553 5.3583 5.4442 5.5249 5.6345 5.6838 5.7015 5.7131 6.1068 6.1121 6.2519 6.2546 6.6648 6.7002 6.7283 6.7344 7.0354 7.0365 7.1071 7.1365 10.8528 10.8543 10.9496 10.9521 11.3361 11.3376 11.4262 11.4269 12.1630 12.1695 k = 0.2339 0.1997 0.8375 ( 4920 PWs) bands (ev): -6.2926 -6.2909 -6.2334 -6.2324 -6.0700 -6.0699 -6.0312 -6.0304 0.5136 0.5180 0.5750 0.5782 1.1904 1.1907 1.2340 1.2344 3.2317 3.2338 3.2491 3.2548 3.3738 3.3788 3.4568 3.4653 3.6866 3.7054 3.7242 3.7467 3.8750 3.8851 3.9227 3.9231 5.3568 5.3582 5.4428 5.5249 5.6369 5.6905 5.7011 5.7103 6.1171 6.1207 6.2389 6.2403 6.6753 6.7140 6.7363 6.7397 7.0438 7.0445 7.1059 7.1362 10.8673 10.8690 10.9323 10.9347 11.3454 11.3467 11.4053 11.4055 12.1988 12.2044 k = 0.2419 0.1883 0.8515 ( 4916 PWs) bands (ev): -6.2757 -6.2740 -6.2454 -6.2441 -6.0629 -6.0626 -6.0429 -6.0422 0.5260 0.5304 0.5573 0.5606 1.1963 1.1966 1.2184 1.2189 3.2422 3.2429 3.2560 3.2615 3.3871 3.3944 3.4321 3.4397 3.6949 3.7131 3.7192 3.7431 3.8783 3.8879 3.9240 3.9241 5.3578 5.3581 5.4420 5.5249 5.6384 5.6965 5.7009 5.7066 6.1250 6.1274 6.2294 6.2298 6.6817 6.7231 6.7411 6.7422 7.0498 7.0500 7.1042 7.1353 10.8826 10.8845 10.9152 10.9176 11.3568 11.3579 11.3868 11.3870 12.2319 12.2366 k = 0.2500 0.1769 0.8655 ( 4928 PWs) bands (ev): -6.2611 -6.2584 -6.2584 -6.2582 -6.0541 -6.0541 -6.0531 -6.0522 0.5374 0.5441 0.5441 0.5450 1.2037 1.2037 1.2078 1.2085 3.2464 3.2464 3.2574 3.2631 3.4016 3.4140 3.4140 3.4169 3.6987 3.7163 3.7163 3.7413 3.8794 3.8888 3.9245 3.9245 5.3581 5.3581 5.4416 5.5249 5.6389 5.7009 5.7009 5.7030 6.1280 6.1300 6.2258 6.2258 6.6838 6.7264 6.7428 6.7428 7.0520 7.0520 7.1034 7.1349 10.8985 10.8987 10.8987 10.9028 11.3694 11.3709 11.3717 11.3717 12.2597 12.2654 k = 0.2500 0.1769 0.8655 ( 4928 PWs) bands (ev): -6.2611 -6.2584 -6.2584 -6.2582 -6.0541 -6.0541 -6.0531 -6.0522 0.5374 0.5441 0.5441 0.5450 1.2037 1.2037 1.2078 1.2085 3.2464 3.2464 3.2574 3.2631 3.4016 3.4140 3.4140 3.4169 3.6987 3.7163 3.7163 3.7413 3.8794 3.8888 3.9245 3.9245 5.3581 5.3581 5.4416 5.5249 5.6389 5.7009 5.7009 5.7030 6.1280 6.1300 6.2258 6.2258 6.6838 6.7264 6.7428 6.7428 7.0520 7.0520 7.1034 7.1349 10.8985 10.8987 10.8987 10.9028 11.3694 11.3709 11.3717 11.3717 12.2597 12.2653 k = 0.2632 0.1863 0.8541 ( 4920 PWs) bands (ev): -6.2684 -6.2668 -6.2515 -6.2504 -6.0591 -6.0588 -6.0476 -6.0470 0.5300 0.5347 0.5494 0.5527 1.2025 1.2033 1.2145 1.2152 3.2374 3.2382 3.2485 3.2530 3.3991 3.4065 3.4317 3.4380 3.6975 3.7152 3.7179 3.7419 3.8792 3.8885 3.9237 3.9248 5.3538 5.3632 5.4418 5.5249 5.6390 5.6956 5.7038 5.7046 6.1262 6.1288 6.2251 6.2277 6.6842 6.7265 6.7407 6.7465 7.0499 7.0532 7.1037 7.1350 10.8780 10.8793 10.9032 10.9050 11.3714 11.3723 11.3853 11.3856 12.2451 12.2493 k = 0.2763 0.1956 0.8426 ( 4922 PWs) bands (ev): -6.2763 -6.2748 -6.2449 -6.2439 -6.0639 -6.0637 -6.0416 -6.0408 0.5182 0.5227 0.5558 0.5593 1.2067 1.2080 1.2270 1.2279 3.2134 3.2142 3.2284 3.2304 3.4016 3.4070 3.4647 3.4705 3.6945 3.7126 3.7214 3.7435 3.8787 3.8876 3.9226 3.9246 5.3503 5.3690 5.4420 5.5248 5.6394 5.6898 5.7043 5.7080 6.1208 6.1253 6.2256 6.2309 6.6854 6.7268 6.7407 6.7511 7.0473 7.0535 7.1041 7.1352 10.8366 10.8374 10.8981 10.8992 11.3909 11.3916 11.4106 11.4107 12.2277 12.2323 k = 0.2895 0.2049 0.8312 ( 4922 PWs) bands (ev): -6.2837 -6.2822 -6.2395 -6.2386 -6.0681 -6.0679 -6.0357 -6.0349 0.5049 0.5094 0.5610 0.5645 1.2170 1.2187 1.2436 1.2448 3.1797 3.1807 3.2016 3.2018 3.4106 3.4150 3.4995 3.5042 3.6907 3.7092 3.7261 3.7458 3.8779 3.8863 3.9210 3.9238 5.3476 5.3753 5.4422 5.5247 5.6402 5.6840 5.7040 5.7107 6.1125 6.1200 6.2267 6.2349 6.6873 6.7271 6.7430 6.7566 7.0445 7.0534 7.1043 7.1349 10.7808 10.7810 10.8852 10.8857 11.4248 11.4253 11.4440 11.4446 12.2106 12.2157 k = 0.3026 0.2142 0.8198 ( 4922 PWs) bands (ev): -6.2904 -6.2890 -6.2351 -6.2344 -6.0716 -6.0714 -6.0304 -6.0295 0.4912 0.4957 0.5651 0.5684 1.2327 1.2346 1.2640 1.2653 3.1415 3.1429 3.1693 3.1698 3.4238 3.4278 3.5316 3.5351 3.6864 3.7053 3.7317 3.7486 3.8769 3.8847 3.9189 3.9224 5.3458 5.3821 5.4425 5.5244 5.6413 5.6782 5.7030 5.7125 6.1025 6.1138 6.2278 6.2388 6.6901 6.7277 6.7472 6.7629 7.0418 7.0529 7.1039 7.1340 10.7171 10.7172 10.8665 10.8666 11.4677 11.4680 11.4834 11.4844 12.1946 12.2005 k = 0.3158 0.2235 0.8084 ( 4916 PWs) bands (ev): -6.2964 -6.2951 -6.2316 -6.2311 -6.0745 -6.0743 -6.0258 -6.0249 0.4781 0.4825 0.5681 0.5712 1.2528 1.2549 1.2876 1.2889 3.1013 3.1032 3.1343 3.1350 3.4392 3.4433 3.5593 3.5614 3.6821 3.7011 3.7381 3.7519 3.8759 3.8828 3.9163 3.9203 5.3448 5.3893 5.4426 5.5242 5.6425 5.6725 5.7013 5.7132 6.0918 6.1075 6.2278 6.2419 6.6935 6.7287 6.7528 6.7698 7.0393 7.0520 7.1027 7.1320 10.6510 10.6513 10.8435 10.8442 11.5157 11.5157 11.5266 11.5279 12.1805 12.1872 k = 0.3289 0.2328 0.7970 ( 4922 PWs) bands (ev): -6.3017 -6.3004 -6.2289 -6.2284 -6.0767 -6.0766 -6.0222 -6.0212 0.4662 0.4705 0.5704 0.5732 1.2763 1.2785 1.3138 1.3152 3.0603 3.0626 3.0979 3.0985 3.4559 3.4601 3.5818 3.5824 3.6776 3.6967 3.7451 3.7557 3.8748 3.8808 3.9132 3.9176 5.3445 5.3965 5.4426 5.5239 5.6437 5.6665 5.6990 5.7127 6.0814 6.1020 6.2264 6.2436 6.6974 6.7304 6.7595 6.7770 7.0370 7.0505 7.1006 7.1290 10.5864 10.5868 10.8183 10.8195 11.5654 11.5657 11.5719 11.5735 12.1690 12.1767 k = 0.3421 0.2421 0.7856 ( 4918 PWs) bands (ev): -6.3061 -6.3049 -6.2268 -6.2264 -6.0783 -6.0783 -6.0197 -6.0187 0.4563 0.4605 0.5721 0.5746 1.3024 1.3047 1.3420 1.3434 3.0195 3.0221 3.0612 3.0615 3.4730 3.4777 3.5981 3.5988 3.6732 3.6922 3.7525 3.7600 3.8738 3.8787 3.9095 3.9143 5.3449 5.4039 5.4422 5.5236 5.6448 5.6604 5.6966 5.7108 6.0720 6.0978 6.2232 6.2438 6.7017 6.7326 6.7668 6.7843 7.0347 7.0480 7.0978 7.1248 10.5262 10.5265 10.7919 10.7935 11.6148 11.6156 11.6184 11.6201 12.1612 12.1699 k = 0.3553 0.2515 0.7742 ( 4916 PWs) bands (ev): -6.3096 -6.3085 -6.2252 -6.2251 -6.0793 -6.0793 -6.0185 -6.0174 0.4490 0.4531 0.5734 0.5756 1.3303 1.3327 1.3716 1.3729 2.9796 2.9825 3.0247 3.0248 3.4900 3.4953 3.6088 3.6107 3.6689 3.6878 3.7597 3.7645 3.8727 3.8765 3.9053 3.9103 5.3460 5.4111 5.4417 5.5233 5.6453 5.6537 5.6940 5.7074 6.0640 6.0952 6.2181 6.2424 6.7062 6.7353 6.7745 6.7914 7.0319 7.0439 7.0942 7.1193 10.4724 10.4725 10.7650 10.7670 11.6618 11.6632 11.6651 11.6668 12.1580 12.1678 k = 0.3684 0.2608 0.7628 ( 4918 PWs) bands (ev): -6.3123 -6.3113 -6.2243 -6.2243 -6.0797 -6.0797 -6.0185 -6.0174 0.4447 0.4486 0.5746 0.5765 1.3593 1.3616 1.4017 1.4030 2.9413 2.9446 2.9889 2.9893 3.5064 3.5126 3.6151 3.6180 3.6650 3.6833 3.7659 3.7688 3.8715 3.8741 3.9006 3.9058 5.3476 5.4177 5.4411 5.5231 5.6453 5.6466 5.6916 5.7027 6.0579 6.0942 6.2112 6.2395 6.7108 6.7385 6.7822 6.7981 7.0282 7.0379 7.0898 7.1125 10.4264 10.4265 10.7381 10.7404 11.7057 11.7074 11.7103 11.7122 12.1606 12.1715 k = 0.3816 0.2701 0.7514 ( 4919 PWs) bands (ev): -6.3140 -6.3130 -6.2241 -6.2241 -6.0795 -6.0795 -6.0198 -6.0187 0.4437 0.4475 0.5759 0.5774 1.3886 1.3908 1.4316 1.4328 2.9053 2.9089 2.9545 2.9553 3.5220 3.5291 3.6179 3.6216 3.6614 3.6791 3.7708 3.7723 3.8698 3.8715 3.8954 3.9007 5.3496 5.4225 5.4415 5.5227 5.6391 5.6444 5.6893 5.6968 6.0537 6.0950 6.2027 6.2352 6.7153 6.7420 6.7899 6.8045 7.0230 7.0297 7.0842 7.1043 10.3895 10.3899 10.7117 10.7143 11.7439 11.7461 11.7542 11.7559 12.1702 12.1820 k = 0.3947 0.2794 0.7400 ( 4925 PWs) bands (ev): -6.3147 -6.3138 -6.2247 -6.2246 -6.0787 -6.0787 -6.0222 -6.0212 0.4464 0.4500 0.5773 0.5784 1.4175 1.4196 1.4605 1.4617 2.8725 2.8763 2.9222 2.9236 3.5360 3.5442 3.6179 3.6223 3.6585 3.6753 3.7739 3.7745 3.8677 3.8684 3.8898 3.8951 5.3521 5.4239 5.4444 5.5222 5.6315 5.6426 5.6870 5.6900 6.0515 6.0973 6.1931 6.2299 6.7199 6.7458 6.7972 6.8103 7.0158 7.0191 7.0770 7.0945 10.3627 10.3635 10.6860 10.6888 11.7747 11.7772 11.7961 11.7974 12.1872 12.1996 k = 0.4079 0.2887 0.7286 ( 4925 PWs) bands (ev): -6.3144 -6.3137 -6.2261 -6.2260 -6.0773 -6.0773 -6.0257 -6.0247 0.4528 0.4562 0.5790 0.5798 1.4454 1.4473 1.4876 1.4887 2.8436 2.8476 2.8927 2.8945 3.5481 3.5574 3.6159 3.6207 3.6565 3.6724 3.7749 3.7750 3.8648 3.8648 3.8840 3.8891 5.3549 5.4220 5.4498 5.5215 5.6241 5.6397 5.6827 5.6845 6.0511 6.1011 6.1825 6.2237 6.7245 6.7499 6.8040 6.8156 7.0062 7.0063 7.0675 7.0828 10.3467 10.3480 10.6612 10.6642 11.7976 11.8001 11.8346 11.8355 12.2040 12.2068 k = 0.4211 0.2980 0.7171 ( 4929 PWs) bands (ev): -6.3131 -6.3125 -6.2286 -6.2285 -6.0754 -6.0753 -6.0299 -6.0290 0.4631 0.4663 0.5812 0.5816 1.4716 1.4733 1.5121 1.5131 2.8192 2.8235 2.8663 2.8687 3.5575 3.5674 3.6123 3.6173 3.6560 3.6709 3.7735 3.7738 3.8605 3.8611 3.8779 3.8828 5.3579 5.4180 5.4563 5.5203 5.6172 5.6356 5.6754 5.6816 6.0525 6.1059 6.1715 6.2169 6.7292 6.7542 6.8102 6.8204 6.9916 6.9941 7.0554 7.0690 10.3418 10.3435 10.6375 10.6407 11.8131 11.8152 11.8674 11.8680 12.1953 12.1959 k = 0.4342 0.3073 0.7057 ( 4923 PWs) bands (ev): -6.3108 -6.3102 -6.2325 -6.2323 -6.0728 -6.0727 -6.0347 -6.0338 0.4772 0.4802 0.5838 0.5838 1.4958 1.4972 1.5333 1.5342 2.8001 2.8046 2.8437 2.8466 3.5636 3.5734 3.6078 3.6123 3.6580 3.6717 3.7695 3.7702 3.8557 3.8567 3.8717 3.8762 5.3612 5.4127 5.4631 5.5185 5.6111 5.6305 5.6685 5.6781 6.0555 6.1114 6.1606 6.2096 6.7340 6.7587 6.8156 6.8247 6.9754 6.9798 7.0403 7.0525 10.3482 10.3503 10.6151 10.6184 11.8219 11.8235 11.8914 11.8918 12.1886 12.1894 k = 0.4474 0.3166 0.6943 ( 4919 PWs) bands (ev): -6.3074 -6.3070 -6.2381 -6.2379 -6.0697 -6.0696 -6.0394 -6.0387 0.4952 0.4980 0.5866 0.5869 1.5173 1.5184 1.5506 1.5514 2.7868 2.7915 2.8252 2.8287 3.5662 3.5747 3.6024 3.6058 3.6628 3.6750 3.7628 3.7639 3.8504 3.8517 3.8655 3.8694 5.3647 5.4067 5.4698 5.5158 5.6060 5.6243 5.6626 5.6740 6.0599 6.1161 6.1512 6.2019 6.7390 6.7631 6.8196 6.8280 6.9583 6.9637 7.0223 7.0333 10.3654 10.3679 10.5941 10.5974 11.8251 11.8259 11.9025 11.9029 12.1897 12.1900 k = 0.4605 0.3260 0.6829 ( 4921 PWs) bands (ev): -6.3030 -6.3027 -6.2458 -6.2456 -6.0661 -6.0660 -6.0439 -6.0433 0.5169 0.5194 0.5898 0.5905 1.5359 1.5367 1.5634 1.5642 2.7797 2.7846 2.8112 2.8151 3.5655 3.5719 3.5959 3.5980 3.6700 3.6803 3.7529 3.7547 3.8450 3.8465 3.8594 3.8626 5.3683 5.4001 5.4763 5.5120 5.6019 5.6173 5.6578 5.6691 6.0655 6.1167 6.1468 6.1938 6.7441 6.7668 6.8217 6.8298 6.9413 6.9468 7.0020 7.0116 10.3928 10.3956 10.5745 10.5779 11.8234 11.8234 11.8973 11.8980 12.1998 12.2003 k = 0.4737 0.3353 0.6715 ( 4926 PWs) bands (ev): -6.2976 -6.2973 -6.2557 -6.2556 -6.0619 -6.0618 -6.0477 -6.0472 0.5422 0.5444 0.5935 0.5945 1.5513 1.5518 1.5717 1.5723 2.7789 2.7839 2.8017 2.8061 3.5621 3.5661 3.5882 3.5892 3.6786 3.6868 3.7398 3.7422 3.8398 3.8412 3.8536 3.8560 5.3720 5.3933 5.4824 5.5070 5.5988 5.6099 5.6543 5.6636 6.0721 6.1103 6.1500 6.1854 6.7491 6.7685 6.8210 6.8287 6.9257 6.9302 6.9807 6.9882 10.4295 10.4326 10.5565 10.5599 11.8160 11.8167 11.8749 11.8761 12.2182 12.2198 k = 0.4868 0.3446 0.6601 ( 4929 PWs) bands (ev): -6.2911 -6.2909 -6.2683 -6.2682 -6.0572 -6.0571 -6.0504 -6.0501 0.5706 0.5726 0.5977 0.5990 1.5635 1.5636 1.5757 1.5761 2.7842 2.7892 2.7970 2.8017 3.5563 3.5582 3.5796 3.5798 3.6872 3.6928 3.7242 3.7270 3.8349 3.8358 3.8484 3.8497 5.3758 5.3863 5.4880 5.5007 5.5968 5.6026 5.6521 5.6574 6.0797 6.0999 6.1580 6.1768 6.7531 6.7656 6.8175 6.8230 6.9123 6.9151 6.9608 6.9650 10.4742 10.4775 10.5401 10.5435 11.8030 11.8045 11.8370 11.8387 12.2425 12.2453 k = 0.5000 0.3539 0.6487 ( 4928 PWs) bands (ev): -6.2842 -6.2842 -6.2828 -6.2828 -6.0526 -6.0526 -6.0511 -6.0511 0.6015 0.6015 0.6044 0.6044 1.5710 1.5710 1.5772 1.5772 2.7950 2.7950 2.8018 2.8018 3.5487 3.5487 3.5701 3.5701 3.6915 3.6915 3.7124 3.7124 3.8305 3.8305 3.8439 3.8439 5.3796 5.3796 5.4931 5.4931 5.5958 5.5958 5.6510 5.6510 6.0882 6.0882 6.1680 6.1680 6.7542 6.7542 6.8123 6.8123 6.9003 6.9003 6.9465 6.9465 10.5248 10.5248 10.5293 10.5293 11.7806 11.7806 11.7907 11.7907 12.2689 12.2689 k = 0.5000 0.3539 0.6487 ( 4928 PWs) bands (ev): -6.2842 -6.2842 -6.2828 -6.2828 -6.0526 -6.0526 -6.0511 -6.0511 0.6015 0.6015 0.6044 0.6044 1.5710 1.5710 1.5772 1.5772 2.7950 2.7950 2.8018 2.8018 3.5487 3.5487 3.5701 3.5701 3.6915 3.6915 3.7124 3.7124 3.8305 3.8305 3.8439 3.8439 5.3796 5.3796 5.4931 5.4931 5.5958 5.5958 5.6510 5.6510 6.0882 6.0882 6.1680 6.1680 6.7542 6.7542 6.8123 6.8123 6.9003 6.9003 6.9465 6.9465 10.5248 10.5248 10.5293 10.5293 11.7806 11.7806 11.7907 11.7907 12.2689 12.2689 k = 0.5000 0.3539 0.6290 ( 4928 PWs) bands (ev): -6.2924 -6.2924 -6.2912 -6.2912 -6.0480 -6.0480 -6.0463 -6.0463 0.6341 0.6341 0.6372 0.6372 1.5764 1.5764 1.5821 1.5821 2.8087 2.8087 2.8158 2.8158 3.5317 3.5317 3.5528 3.5528 3.6795 3.6795 3.7002 3.7002 3.8222 3.8222 3.8358 3.8358 5.3774 5.3774 5.4904 5.4904 5.5896 5.5896 5.6450 5.6450 6.0848 6.0848 6.1688 6.1688 6.7378 6.7378 6.7958 6.7958 6.8772 6.8772 6.9269 6.9269 10.5593 10.5593 10.5641 10.5641 11.7042 11.7042 11.7156 11.7156 12.2569 12.2569 k = 0.5000 0.3539 0.6094 ( 4928 PWs) bands (ev): -6.3020 -6.3020 -6.3010 -6.3010 -6.0419 -6.0419 -6.0401 -6.0401 0.6676 0.6676 0.6709 0.6709 1.5828 1.5828 1.5881 1.5881 2.8233 2.8233 2.8309 2.8309 3.5134 3.5134 3.5342 3.5342 3.6672 3.6672 3.6874 3.6874 3.8141 3.8141 3.8279 3.8279 5.3753 5.3753 5.4878 5.4878 5.5837 5.5837 5.6396 5.6396 6.0803 6.0803 6.1683 6.1683 6.7198 6.7198 6.7784 6.7784 6.8557 6.8557 6.9092 6.9092 10.5939 10.5939 10.5989 10.5989 11.6189 11.6189 11.6311 11.6311 12.2337 12.2337 k = 0.5000 0.3539 0.5897 ( 4932 PWs) bands (ev): -6.3132 -6.3132 -6.3122 -6.3122 -6.0343 -6.0343 -6.0324 -6.0324 0.7011 0.7011 0.7047 0.7047 1.5905 1.5905 1.5953 1.5953 2.8389 2.8389 2.8469 2.8469 3.4940 3.4940 3.5145 3.5145 3.6547 3.6547 3.6744 3.6744 3.8061 3.8061 3.8203 3.8203 5.3735 5.3735 5.4853 5.4853 5.5779 5.5779 5.6347 5.6347 6.0747 6.0747 6.1663 6.1663 6.7007 6.7007 6.7606 6.7606 6.8357 6.8357 6.8932 6.8932 10.6272 10.6272 10.6326 10.6326 11.5297 11.5297 11.5424 11.5424 12.1983 12.1983 k = 0.5000 0.3539 0.5701 ( 4932 PWs) bands (ev): -6.3256 -6.3256 -6.3246 -6.3246 -6.0253 -6.0253 -6.0233 -6.0233 0.7342 0.7342 0.7381 0.7381 1.5998 1.5998 1.6043 1.6043 2.8553 2.8553 2.8638 2.8638 3.4738 3.4738 3.4939 3.4939 3.6420 3.6420 3.6614 3.6614 3.7982 3.7982 3.8128 3.8128 5.3721 5.3721 5.4831 5.4831 5.5724 5.5724 5.6303 5.6303 6.0681 6.0681 6.1628 6.1628 6.6813 6.6813 6.7427 6.7427 6.8175 6.8175 6.8785 6.8785 10.6576 10.6576 10.6635 10.6635 11.4403 11.4403 11.4532 11.4532 12.1520 12.1520 k = 0.5000 0.3539 0.5504 ( 4944 PWs) bands (ev): -6.3391 -6.3391 -6.3382 -6.3382 -6.0150 -6.0150 -6.0129 -6.0129 0.7661 0.7661 0.7702 0.7702 1.6110 1.6110 1.6153 1.6153 2.8726 2.8726 2.8816 2.8816 3.4530 3.4530 3.4727 3.4727 3.6294 3.6294 3.6484 3.6484 3.7906 3.7906 3.8055 3.8055 5.3711 5.3711 5.4810 5.4810 5.5670 5.5670 5.6263 5.6263 6.0607 6.0607 6.1576 6.1576 6.6622 6.6622 6.7251 6.7251 6.8008 6.8008 6.8648 6.8648 10.6825 10.6825 10.6891 10.6891 11.3542 11.3542 11.3670 11.3670 12.0969 12.0969 k = 0.5000 0.3539 0.5307 ( 4932 PWs) bands (ev): -6.3536 -6.3536 -6.3527 -6.3527 -6.0036 -6.0036 -6.0015 -6.0015 0.7960 0.7960 0.8005 0.8005 1.6246 1.6246 1.6289 1.6289 2.8905 2.8905 2.9001 2.9001 3.4321 3.4321 3.4514 3.4514 3.6170 3.6170 3.6357 3.6357 3.7830 3.7830 3.7984 3.7984 5.3705 5.3705 5.4794 5.4794 5.5620 5.5620 5.6227 5.6227 6.0528 6.0528 6.1510 6.1510 6.6442 6.6442 6.7082 6.7082 6.7855 6.7855 6.8519 6.8519 10.6985 10.6985 10.7061 10.7061 11.2753 11.2753 11.2878 11.2878 12.0352 12.0352 k = 0.5000 0.3539 0.5111 ( 4940 PWs) bands (ev): -6.3689 -6.3689 -6.3680 -6.3680 -5.9912 -5.9912 -5.9890 -5.9890 0.8231 0.8231 0.8280 0.8280 1.6408 1.6408 1.6454 1.6454 2.9090 2.9090 2.9192 2.9192 3.4112 3.4112 3.4301 3.4301 3.6049 3.6049 3.6233 3.6233 3.7757 3.7757 3.7914 3.7914 5.3704 5.3704 5.4779 5.4779 5.5572 5.5572 5.6192 5.6192 6.0446 6.0446 6.1430 6.1430 6.6275 6.6275 6.6922 6.6922 6.7711 6.7711 6.8394 6.8394 10.7008 10.7008 10.7098 10.7098 11.2087 11.2087 11.2204 11.2204 11.9687 11.9687 k = 0.5000 0.3539 0.4914 ( 4944 PWs) bands (ev): -6.3848 -6.3848 -6.3838 -6.3838 -5.9780 -5.9780 -5.9757 -5.9757 0.8469 0.8469 0.8522 0.8522 1.6602 1.6602 1.6652 1.6652 2.9279 2.9279 2.9387 2.9387 3.3907 3.3907 3.4093 3.4093 3.5931 3.5931 3.6115 3.6115 3.7684 3.7684 3.7845 3.7845 5.3707 5.3707 5.4768 5.4768 5.5525 5.5525 5.6158 5.6158 6.0365 6.0365 6.1339 6.1339 6.6123 6.6123 6.6774 6.6774 6.7576 6.7576 6.8274 6.8274 10.6844 10.6844 10.6950 10.6950 11.1591 11.1591 11.1696 11.1696 11.8991 11.8991 k = 0.5000 0.3539 0.4718 ( 4944 PWs) bands (ev): -6.4011 -6.4011 -6.4001 -6.4001 -5.9640 -5.9640 -5.9617 -5.9617 0.8667 0.8667 0.8723 0.8723 1.6830 1.6830 1.6887 1.6887 2.9473 2.9473 2.9587 2.9587 3.3710 3.3710 3.3892 3.3892 3.5819 3.5819 3.6002 3.6002 3.7614 3.7614 3.7777 3.7777 5.3714 5.3714 5.4759 5.4759 5.5480 5.5480 5.6122 5.6122 6.0290 6.0290 6.1239 6.1239 6.5988 6.5988 6.6637 6.6637 6.7449 6.7449 6.8156 6.8156 10.6473 10.6473 10.6592 10.6592 11.1285 11.1285 11.1374 11.1374 11.8278 11.8278 k = 0.5000 0.3539 0.4521 ( 4952 PWs) bands (ev): -6.4177 -6.4177 -6.4167 -6.4167 -5.9494 -5.9494 -5.9470 -5.9470 0.8821 0.8821 0.8880 0.8880 1.7095 1.7095 1.7158 1.7158 2.9667 2.9667 2.9787 2.9787 3.3523 3.3523 3.3702 3.3702 3.5714 3.5714 3.5896 3.5896 3.7544 3.7544 3.7711 3.7711 5.3726 5.3726 5.4753 5.4753 5.5435 5.5435 5.6082 5.6082 6.0223 6.0223 6.1135 6.1135 6.5868 6.5868 6.6512 6.6512 6.7327 6.7327 6.8040 6.8040 10.5921 10.5921 10.6051 10.6051 11.1137 11.1137 11.1211 11.1211 11.7563 11.7563 k = 0.5000 0.3539 0.4325 ( 4958 PWs) bands (ev): -6.4345 -6.4345 -6.4334 -6.4334 -5.9342 -5.9342 -5.9319 -5.9319 0.8928 0.8928 0.8990 0.8990 1.7397 1.7397 1.7466 1.7466 2.9862 2.9862 2.9987 2.9987 3.3350 3.3350 3.3526 3.3526 3.5615 3.5615 3.5797 3.5797 3.7477 3.7477 3.7645 3.7645 5.3742 5.3742 5.4749 5.4749 5.5390 5.5390 5.6038 5.6038 6.0169 6.0169 6.1031 6.1031 6.5762 6.5762 6.6399 6.6399 6.7212 6.7212 6.7927 6.7927 10.5245 10.5245 10.5382 10.5382 11.1083 11.1083 11.1144 11.1144 11.6858 11.6858 k = 0.5000 0.3539 0.4128 ( 4952 PWs) bands (ev): -6.4513 -6.4513 -6.4502 -6.4502 -5.9188 -5.9188 -5.9164 -5.9164 0.8990 0.8990 0.9052 0.9052 1.7734 1.7734 1.7808 1.7808 3.0055 3.0055 3.0184 3.0184 3.3193 3.3193 3.3367 3.3367 3.5525 3.5525 3.5707 3.5707 3.7411 3.7411 3.7582 3.7582 5.3762 5.3762 5.4746 5.4746 5.5344 5.5344 5.5987 5.5987 6.0133 6.0133 6.0932 6.0932 6.5669 6.5669 6.6297 6.6297 6.7104 6.7104 6.7817 6.7817 10.4500 10.4500 10.4640 10.4640 11.1061 11.1061 11.1111 11.1111 11.6176 11.6176 k = 0.5000 0.3539 0.3931 ( 4954 PWs) bands (ev): -6.4680 -6.4680 -6.4669 -6.4669 -5.9030 -5.9030 -5.9007 -5.9007 0.9006 0.9006 0.9070 0.9070 1.8102 1.8102 1.8180 1.8180 3.0243 3.0243 3.0375 3.0375 3.3055 3.3055 3.3227 3.3227 3.5443 3.5443 3.5624 3.5624 3.7347 3.7347 3.7520 3.7520 5.3785 5.3785 5.4744 5.4744 5.5296 5.5296 5.5928 5.5928 6.0115 6.0115 6.0841 6.0841 6.5586 6.5586 6.6205 6.6205 6.7002 6.7002 6.7709 6.7709 10.3723 10.3723 10.3865 10.3865 11.1025 11.1025 11.1065 11.1065 11.5530 11.5530 k = 0.5000 0.3539 0.3735 ( 4958 PWs) bands (ev): -6.4845 -6.4845 -6.4834 -6.4834 -5.8871 -5.8871 -5.8849 -5.8849 0.8981 0.8981 0.9045 0.9045 1.8496 1.8496 1.8577 1.8577 3.0425 3.0425 3.0558 3.0558 3.2939 3.2939 3.3110 3.3110 3.5371 3.5371 3.5551 3.5551 3.7286 3.7286 3.7461 3.7461 5.3810 5.3810 5.4739 5.4739 5.5245 5.5245 5.5861 5.5861 6.0117 6.0117 6.0762 6.0762 6.5511 6.5511 6.6122 6.6122 6.6909 6.6909 6.7605 6.7605 10.2941 10.2941 10.3083 10.3083 11.0940 11.0940 11.0972 11.0972 11.4935 11.4935 k = 0.5000 0.3539 0.3538 ( 4958 PWs) bands (ev): -6.5006 -6.5006 -6.4996 -6.4996 -5.8712 -5.8712 -5.8690 -5.8690 0.8920 0.8920 0.8983 0.8983 1.8910 1.8910 1.8992 1.8992 3.0596 3.0596 3.0727 3.0727 3.2847 3.2847 3.3016 3.3016 3.5308 3.5308 3.5487 3.5487 3.7229 3.7229 3.7404 3.7404 5.3838 5.3838 5.4731 5.4731 5.5192 5.5192 5.5788 5.5788 6.0142 6.0142 6.0699 6.0699 6.5440 6.5440 6.6047 6.6047 6.6824 6.6824 6.7505 6.7505 10.2168 10.2168 10.2308 10.2308 11.0783 11.0783 11.0807 11.0807 11.4403 11.4403 k = 0.5000 0.3539 0.3342 ( 4950 PWs) bands (ev): -6.5164 -6.5164 -6.5154 -6.5154 -5.8554 -5.8554 -5.8532 -5.8532 0.8827 0.8827 0.8888 0.8888 1.9337 1.9337 1.9420 1.9420 3.0755 3.0755 3.0882 3.0882 3.2780 3.2780 3.2948 3.2948 3.5256 3.5256 3.5432 3.5432 3.7175 3.7175 3.7351 3.7351 5.3866 5.3866 5.4715 5.4715 5.5139 5.5139 5.5710 5.5710 6.0187 6.0187 6.0655 6.0655 6.5373 6.5373 6.5980 6.5980 6.6750 6.6750 6.7410 6.7410 10.1415 10.1415 10.1554 10.1554 11.0540 11.0540 11.0559 11.0559 11.3941 11.3941 k = 0.5000 0.3539 0.3145 ( 4960 PWs) bands (ev): -6.5317 -6.5317 -6.5307 -6.5307 -5.8397 -5.8397 -5.8376 -5.8376 0.8707 0.8707 0.8767 0.8767 1.9770 1.9770 1.9853 1.9853 3.0899 3.0899 3.1017 3.1017 3.2741 3.2741 3.2907 3.2907 3.5213 3.5213 3.5386 3.5386 3.7125 3.7125 3.7301 3.7301 5.3892 5.3892 5.4686 5.4686 5.5087 5.5087 5.5631 5.5631 6.0251 6.0251 6.0632 6.0632 6.5307 6.5307 6.5919 6.5919 6.6685 6.6685 6.7322 6.7322 10.0691 10.0691 10.0827 10.0827 11.0211 11.0211 11.0228 11.0228 11.3547 11.3547 k = 0.5000 0.3539 0.2949 ( 4946 PWs) bands (ev): -6.5465 -6.5465 -6.5455 -6.5455 -5.8243 -5.8243 -5.8222 -5.8222 0.8567 0.8567 0.8624 0.8624 2.0204 2.0204 2.0286 2.0286 3.1027 3.1027 3.1133 3.1133 3.2728 3.2728 3.2892 3.2892 3.5179 3.5179 3.5348 3.5348 3.7082 3.7082 3.7257 3.7257 5.3915 5.3915 5.4641 5.4641 5.5042 5.5042 5.5555 5.5555 6.0332 6.0332 6.0632 6.0632 6.5242 6.5242 6.5865 6.5865 6.6632 6.6632 6.7241 6.7241 10.0001 10.0001 10.0133 10.0133 10.9811 10.9811 10.9829 10.9829 11.3206 11.3206 k = 0.5000 0.3539 0.2752 ( 4946 PWs) bands (ev): -6.5606 -6.5606 -6.5596 -6.5596 -5.8093 -5.8093 -5.8073 -5.8073 0.8411 0.8411 0.8465 0.8465 2.0632 2.0632 2.0712 2.0712 3.1138 3.1138 3.1230 3.1230 3.2741 3.2741 3.2902 3.2902 3.5154 3.5154 3.5317 3.5317 3.7045 3.7045 3.7218 3.7218 5.3931 5.3931 5.4575 5.4575 5.5005 5.5005 5.5488 5.5488 6.0424 6.0424 6.0656 6.0656 6.5176 6.5176 6.5814 6.5814 6.6589 6.6589 6.7170 6.7170 9.9349 9.9349 9.9477 9.9477 10.9362 10.9362 10.9381 10.9381 11.2897 11.2897 k = 0.5000 0.3539 0.2555 ( 4946 PWs) bands (ev): -6.5740 -6.5740 -6.5731 -6.5731 -5.7948 -5.7948 -5.7929 -5.7929 0.8244 0.8244 0.8295 0.8295 2.1049 2.1049 2.1125 2.1125 3.1233 3.1233 3.1311 3.1311 3.2774 3.2774 3.2933 3.2933 3.5137 3.5137 3.5291 3.5291 3.7015 3.7015 3.7186 3.7186 5.3938 5.3938 5.4490 5.4490 5.4977 5.4977 5.5432 5.5432 6.0520 6.0520 6.0707 6.0707 6.5110 6.5110 6.5766 6.5766 6.6558 6.6558 6.7108 6.7108 9.8739 9.8739 9.8861 9.8861 10.8885 10.8885 10.8906 10.8906 11.2603 11.2603 k = 0.5000 0.3539 0.2359 ( 4938 PWs) bands (ev): -6.5866 -6.5866 -6.5858 -6.5858 -5.7809 -5.7809 -5.7791 -5.7791 0.8071 0.8071 0.8119 0.8119 2.1449 2.1449 2.1522 2.1522 3.1315 3.1315 3.1382 3.1382 3.2824 3.2824 3.2980 3.2980 3.5124 3.5124 3.5270 3.5270 3.6995 3.6995 3.7161 3.7161 5.3930 5.3930 5.4390 5.4390 5.4958 5.4958 5.5392 5.5392 6.0616 6.0616 6.0784 6.0784 6.5045 6.5045 6.5718 6.5718 6.6540 6.6540 6.7060 6.7060 9.8173 9.8173 9.8289 9.8289 10.8397 10.8397 10.8420 10.8420 11.2307 11.2307 k = 0.5000 0.3539 0.2162 ( 4938 PWs) bands (ev): -6.5985 -6.5985 -6.5977 -6.5977 -5.7677 -5.7677 -5.7660 -5.7660 0.7896 0.7896 0.7940 0.7940 2.1828 2.1828 2.1897 2.1897 3.1385 3.1385 3.1447 3.1447 3.2884 3.2884 3.3037 3.3037 3.5115 3.5115 3.5250 3.5250 3.6984 3.6984 3.7144 3.7144 5.3905 5.3905 5.4280 5.4280 5.4948 5.4948 5.5367 5.5367 6.0710 6.0710 6.0883 6.0883 6.4982 6.4982 6.5668 6.5668 6.6534 6.6534 6.7023 6.7023 9.7653 9.7653 9.7763 9.7763 10.7912 10.7912 10.7936 10.7936 11.2001 11.2001 k = 0.5000 0.3539 0.1966 ( 4950 PWs) bands (ev): -6.6094 -6.6094 -6.6087 -6.6087 -5.7553 -5.7553 -5.7537 -5.7537 0.7723 0.7723 0.7764 0.7764 2.2183 2.2183 2.2246 2.2246 3.1448 3.1448 3.1509 3.1509 3.2949 3.2949 3.3098 3.3098 3.5108 3.5108 3.5231 3.5231 3.6982 3.6982 3.7135 3.7135 5.3862 5.3862 5.4164 5.4164 5.4949 5.4949 5.5354 5.5354 6.0802 6.0802 6.0993 6.0993 6.4922 6.4922 6.5615 6.5615 6.6539 6.6539 6.6998 6.6998 9.7181 9.7181 9.7283 9.7283 10.7440 10.7440 10.7465 10.7465 11.1681 11.1681 k = 0.5000 0.3539 0.1769 ( 4956 PWs) bands (ev): -6.6195 -6.6195 -6.6188 -6.6188 -5.7437 -5.7437 -5.7423 -5.7423 0.7557 0.7557 0.7593 0.7593 2.2509 2.2509 2.2566 2.2566 3.1508 3.1508 3.1571 3.1571 3.3017 3.3017 3.3160 3.3160 3.5100 3.5100 3.5211 3.5211 3.6991 3.6991 3.7134 3.7134 5.3804 5.3804 5.4048 5.4048 5.4963 5.4963 5.5349 5.5349 6.0897 6.0897 6.1107 6.1107 6.4869 6.4869 6.5556 6.5556 6.6558 6.6558 6.6984 6.6984 9.6758 9.6758 9.6852 9.6852 10.6986 10.6986 10.7012 10.7012 11.1347 11.1347 k = 0.5000 0.3539 0.1573 ( 4950 PWs) bands (ev): -6.6285 -6.6285 -6.6279 -6.6279 -5.7331 -5.7331 -5.7319 -5.7319 0.7399 0.7399 0.7432 0.7432 2.2805 2.2805 2.2856 2.2856 3.1566 3.1566 3.1632 3.1632 3.3084 3.3084 3.3219 3.3219 3.5090 3.5090 3.5188 3.5188 3.7008 3.7008 3.7140 3.7140 5.3734 5.3734 5.3933 5.3933 5.4988 5.4988 5.5351 5.5351 6.0994 6.0994 6.1216 6.1216 6.4824 6.4824 6.5492 6.5492 6.6588 6.6588 6.6980 6.6980 9.6384 9.6384 9.6470 9.6470 10.6558 10.6558 10.6583 10.6583 11.1006 11.1006 k = 0.5000 0.3539 0.1376 ( 4958 PWs) bands (ev): -6.6366 -6.6366 -6.6361 -6.6361 -5.7236 -5.7236 -5.7225 -5.7225 0.7253 0.7253 0.7282 0.7282 2.3068 2.3068 2.3113 2.3113 3.1624 3.1624 3.1691 3.1691 3.3147 3.3147 3.3273 3.3273 3.5077 3.5077 3.5163 3.5163 3.7033 3.7033 3.7152 3.7152 5.3659 5.3659 5.3823 5.3823 5.5021 5.5021 5.5355 5.5355 6.1090 6.1090 6.1317 6.1317 6.4788 6.4788 6.5422 6.5422 6.6628 6.6628 6.6983 6.6983 9.6059 9.6059 9.6137 9.6137 10.6159 10.6159 10.6185 10.6185 11.0665 11.0665 k = 0.5000 0.3539 0.1179 ( 4962 PWs) bands (ev): -6.6437 -6.6437 -6.6433 -6.6433 -5.7152 -5.7152 -5.7142 -5.7142 0.7122 0.7122 0.7147 0.7147 2.3298 2.3298 2.3336 2.3336 3.1682 3.1682 3.1748 3.1748 3.3206 3.3206 3.3320 3.3320 3.5062 3.5062 3.5135 3.5135 3.7062 3.7062 3.7167 3.7167 5.3585 5.3585 5.3720 5.3720 5.5061 5.5061 5.5358 5.5358 6.1183 6.1183 6.1404 6.1404 6.4765 6.4765 6.5348 6.5348 6.6676 6.6676 6.6990 6.6990 9.5783 9.5783 9.5851 9.5851 10.5796 10.5796 10.5821 10.5821 11.0338 11.0338 k = 0.5000 0.3539 0.0983 ( 4978 PWs) bands (ev): -6.6497 -6.6497 -6.6494 -6.6494 -5.7079 -5.7079 -5.7071 -5.7071 0.7007 0.7007 0.7028 0.7028 2.3492 2.3492 2.3524 2.3524 3.1738 3.1738 3.1800 3.1800 3.3260 3.3260 3.3359 3.3359 3.5046 3.5046 3.5106 3.5106 3.7095 3.7095 3.7184 3.7184 5.3515 5.3515 5.3626 5.3626 5.5104 5.5104 5.5359 5.5359 6.1272 6.1272 6.1476 6.1476 6.4755 6.4755 6.5271 6.5271 6.6729 6.6729 6.6997 6.6997 9.5555 9.5555 9.5613 9.5613 10.5474 10.5474 10.5497 10.5497 11.0036 11.0036 k = 0.5000 0.3539 0.0786 ( 4976 PWs) bands (ev): -6.6547 -6.6547 -6.6544 -6.6544 -5.7018 -5.7018 -5.7012 -5.7012 0.6911 0.6911 0.6928 0.6928 2.3652 2.3652 2.3678 2.3678 3.1790 3.1790 3.1845 3.1845 3.3307 3.3307 3.3391 3.3391 3.5030 3.5030 3.5078 3.5078 3.7128 3.7128 3.7200 3.7200 5.3456 5.3456 5.3544 5.3544 5.5148 5.5148 5.5358 5.5358 6.1353 6.1353 6.1531 6.1531 6.4759 6.4759 6.5193 6.5193 6.6783 6.6783 6.7003 6.7003 9.5373 9.5373 9.5420 9.5420 10.5199 10.5199 10.5220 10.5220 10.9772 10.9772 k = 0.5000 0.3539 0.0590 ( 4970 PWs) bands (ev): -6.6586 -6.6586 -6.6583 -6.6583 -5.6971 -5.6971 -5.6966 -5.6966 0.6835 0.6835 0.6848 0.6848 2.3777 2.3777 2.3796 2.3796 3.1836 3.1836 3.1881 3.1881 3.3348 3.3348 3.3413 3.3413 3.5016 3.5016 3.5052 3.5052 3.7158 3.7158 3.7213 3.7213 5.3409 5.3409 5.3475 5.3475 5.5191 5.5191 5.5351 5.5351 6.1425 6.1425 6.1567 6.1567 6.4777 6.4777 6.5116 6.5116 6.6836 6.6836 6.7004 6.7004 9.5235 9.5235 9.5271 9.5271 10.4978 10.4978 10.4995 10.4995 10.9557 10.9557 k = 0.5000 0.3539 0.0393 ( 4962 PWs) bands (ev): -6.6613 -6.6613 -6.6612 -6.6612 -5.6936 -5.6936 -5.6933 -5.6933 0.6781 0.6781 0.6790 0.6790 2.3866 2.3866 2.3879 2.3879 3.1874 3.1874 3.1906 3.1906 3.3381 3.3381 3.3426 3.3426 3.5006 3.5006 3.5030 3.5030 3.7184 3.7184 3.7221 3.7221 5.3378 5.3378 5.3422 5.3422 5.5231 5.5231 5.5339 5.5339 6.1486 6.1486 6.1585 6.1585 6.4809 6.4809 6.5041 6.5041 6.6885 6.6885 6.6998 6.6998 9.5140 9.5140 9.5164 9.5164 10.4816 10.4816 10.4828 10.4828 10.9399 10.9399 k = 0.5000 0.3539 0.0197 ( 4954 PWs) bands (ev): -6.6630 -6.6630 -6.6629 -6.6629 -5.6915 -5.6915 -5.6913 -5.6913 0.6749 0.6749 0.6753 0.6753 2.3921 2.3921 2.3928 2.3928 3.1902 3.1902 3.1918 3.1918 3.3406 3.3406 3.3429 3.3429 3.5001 3.5001 3.5014 3.5014 3.7204 3.7204 3.7223 3.7223 5.3363 5.3363 5.3385 5.3385 5.5267 5.5267 5.5321 5.5321 6.1534 6.1534 6.1585 6.1585 6.4853 6.4853 6.4971 6.4971 6.6927 6.6927 6.6984 6.6984 9.5086 9.5086 9.5099 9.5099 10.4717 10.4717 10.4724 10.4724 10.9305 10.9305 k = 0.5000 0.3539-0.0000 ( 4954 PWs) bands (ev): -6.6635 -6.6635 -6.6635 -6.6635 -5.6907 -5.6907 -5.6907 -5.6907 0.6740 0.6740 0.6740 0.6740 2.3942 2.3942 2.3942 2.3942 3.1916 3.1916 3.1916 3.1916 3.3422 3.3422 3.3422 3.3422 3.5004 3.5004 3.5004 3.5004 3.7218 3.7218 3.7218 3.7218 5.3365 5.3365 5.3365 5.3365 5.5297 5.5297 5.5297 5.5297 6.1567 6.1567 6.1567 6.1567 6.4908 6.4908 6.4908 6.4908 6.6960 6.6960 6.6960 6.6960 9.5073 9.5073 9.5073 9.5073 10.4687 10.4687 10.4687 10.4687 10.9277 10.9277 k = 0.0000 0.0000 0.8655 ( 4926 PWs) bands (ev): -6.2632 -6.2632 -6.2607 -6.2607 -6.0500 -6.0500 -6.0497 -6.0497 0.4012 0.4012 0.4024 0.4024 1.5475 1.5475 1.5567 1.5567 2.7201 2.7201 2.7256 2.7256 3.6371 3.6371 3.6600 3.6600 3.7609 3.7609 3.7797 3.7797 3.8908 3.8908 3.9110 3.9110 5.3988 5.3988 5.5127 5.5127 5.6450 5.6450 5.7080 5.7080 6.0844 6.0844 6.1341 6.1341 6.8294 6.8294 6.8929 6.8929 7.1011 7.1011 7.1386 7.1386 10.3098 10.3098 10.3121 10.3121 11.6479 11.6479 11.6521 11.6521 12.5510 12.5510 k = 0.0156 0.0111 0.8655 ( 4918 PWs) bands (ev): -6.2632 -6.2630 -6.2607 -6.2606 -6.0500 -6.0500 -6.0499 -6.0497 0.4020 0.4025 0.4034 0.4035 1.5436 1.5443 1.5529 1.5530 2.7243 2.7246 2.7297 2.7301 3.6357 3.6376 3.6571 3.6616 3.7590 3.7616 3.7778 3.7795 3.8893 3.8928 3.9089 3.9130 5.3922 5.4052 5.5070 5.5171 5.6438 5.6467 5.7055 5.7106 6.0790 6.0912 6.1303 6.1387 6.8263 6.8307 6.8886 6.8951 7.0961 7.1051 7.1345 7.1416 10.3135 10.3138 10.3158 10.3161 11.6475 11.6476 11.6517 11.6518 12.5481 12.5482 k = 0.0312 0.0221 0.8655 ( 4910 PWs) bands (ev): -6.2632 -6.2628 -6.2606 -6.2606 -6.0502 -6.0501 -6.0500 -6.0497 0.4049 0.4059 0.4064 0.4068 1.5327 1.5341 1.5421 1.5423 2.7370 2.7376 2.7422 2.7428 3.6332 3.6371 3.6527 3.6614 3.7562 3.7609 3.7736 3.7772 3.8883 3.8952 3.9066 3.9149 5.3856 5.4113 5.4998 5.5203 5.6435 5.6488 5.7032 5.7133 6.0751 6.0992 6.1271 6.1440 6.8211 6.8300 6.8822 6.8950 7.0902 7.1080 7.1293 7.1435 10.3248 10.3253 10.3271 10.3277 11.6464 11.6465 11.6506 11.6508 12.5394 12.5397 k = 0.0469 0.0332 0.8655 ( 4904 PWs) bands (ev): -6.2632 -6.2626 -6.2605 -6.2604 -6.0504 -6.0503 -6.0502 -6.0497 0.4098 0.4114 0.4115 0.4121 1.5155 1.5176 1.5248 1.5251 2.7575 2.7586 2.7625 2.7633 3.6296 3.6355 3.6470 3.6593 3.7527 3.7590 3.7674 3.7730 3.8878 3.8979 3.9042 3.9167 5.3791 5.4169 5.4912 5.5224 5.6441 5.6509 5.7013 5.7157 6.0729 6.1082 6.1245 6.1498 6.8141 6.8275 6.8739 6.8925 7.0836 7.1097 7.1233 7.1444 10.3436 10.3442 10.3458 10.3467 11.6443 11.6444 11.6484 11.6487 12.5251 12.5254 k = 0.0625 0.0442 0.8655 ( 4906 PWs) bands (ev): -6.2631 -6.2623 -6.2604 -6.2602 -6.0506 -6.0506 -6.0503 -6.0499 0.4166 0.4186 0.4187 0.4193 1.4929 1.4956 1.5019 1.5023 2.7850 2.7864 2.7897 2.7907 3.6247 3.6325 3.6396 3.6547 3.7489 3.7559 3.7596 3.7674 3.8876 3.9007 3.9017 3.9183 5.3727 5.4220 5.4814 5.5237 5.6456 5.6526 5.6996 5.7179 6.0724 6.1181 6.1226 6.1563 6.8053 6.8230 6.8637 6.8875 7.0769 7.1106 7.1165 7.1445 10.3694 10.3703 10.3716 10.3728 11.6407 11.6409 11.6448 11.6452 12.5054 12.5056 k = 0.0781 0.0553 0.8655 ( 4912 PWs) bands (ev): -6.2629 -6.2620 -6.2602 -6.2600 -6.0509 -6.0509 -6.0506 -6.0500 0.4252 0.4275 0.4279 0.4284 1.4660 1.4693 1.4746 1.4752 2.8184 2.8202 2.8228 2.8238 3.6180 3.6278 3.6305 3.6470 3.7455 3.7506 3.7519 3.7606 3.8876 3.8991 3.9036 3.9198 5.3668 5.4265 5.4707 5.5245 5.6480 5.6536 5.6984 5.7196 6.0736 6.1213 6.1286 6.1633 6.7949 6.8169 6.8519 6.8799 7.0704 7.1092 7.1107 7.1440 10.4020 10.4030 10.4042 10.4055 11.6352 11.6355 11.6392 11.6397 12.4806 12.4807 k = 0.0938 0.0664 0.8655 ( 4912 PWs) bands (ev): -6.2628 -6.2616 -6.2600 -6.2598 -6.0513 -6.0513 -6.0508 -6.0502 0.4354 0.4380 0.4386 0.4391 1.4360 1.4397 1.4441 1.4448 2.8565 2.8587 2.8607 2.8615 3.6093 3.6193 3.6207 3.6360 3.7411 3.7428 3.7473 3.7534 3.8877 3.8965 3.9065 3.9211 5.3613 5.4303 5.4592 5.5248 5.6512 5.6540 5.6977 5.7209 6.0765 6.1207 6.1397 6.1707 6.7831 6.8092 6.8386 6.8698 7.0645 7.1018 7.1102 7.1431 10.4407 10.4419 10.4430 10.4444 11.6269 11.6273 11.6308 11.6314 12.4514 12.4520 k = 0.1094 0.0774 0.8655 ( 4908 PWs) bands (ev): -6.2626 -6.2612 -6.2597 -6.2595 -6.0517 -6.0517 -6.0511 -6.0505 0.4470 0.4500 0.4507 0.4511 1.4040 1.4082 1.4116 1.4124 2.8981 2.9009 2.9022 2.9028 3.5981 3.6057 3.6108 3.6214 3.7318 3.7409 3.7425 3.7461 3.8880 3.8939 3.9092 3.9223 5.3564 5.4335 5.4473 5.5249 5.6536 5.6551 5.6975 5.7217 6.0809 6.1206 6.1510 6.1786 6.7703 6.8003 6.8242 6.8574 7.0594 7.0944 7.1094 7.1419 10.4850 10.4862 10.4874 10.4888 11.6151 11.6155 11.6188 11.6195 12.4195 12.4206 k = 0.1250 0.0885 0.8655 ( 4916 PWs) bands (ev): -6.2623 -6.2608 -6.2595 -6.2593 -6.0521 -6.0520 -6.0515 -6.0508 0.4597 0.4630 0.4639 0.4642 1.3711 1.3757 1.3781 1.3792 2.9424 2.9456 2.9465 2.9467 3.5840 3.5895 3.5974 3.6033 3.7233 3.7377 3.7391 3.7398 3.8882 3.8913 3.9117 3.9233 5.3523 5.4352 5.4360 5.5249 5.6524 5.6594 5.6977 5.7218 6.0865 6.1211 6.1624 6.1866 6.7567 6.7904 6.8091 6.8432 7.0553 7.0873 7.1085 7.1406 10.5341 10.5354 10.5366 10.5379 11.5987 11.5992 11.6021 11.6028 12.3867 12.3884 k = 0.1406 0.0995 0.8655 ( 4924 PWs) bands (ev): -6.2621 -6.2604 -6.2592 -6.2590 -6.0525 -6.0524 -6.0518 -6.0510 0.4730 0.4767 0.4777 0.4781 1.3385 1.3435 1.3449 1.3462 2.9882 2.9921 2.9921 2.9926 3.5668 3.5705 3.5801 3.5818 3.7162 3.7330 3.7331 3.7394 3.8883 3.8888 3.9141 3.9242 5.3491 5.4232 5.4379 5.5248 5.6507 5.6643 5.6982 5.7214 6.0930 6.1220 6.1736 6.1947 6.7430 6.7801 6.7937 6.8278 7.0522 7.0807 7.1074 7.1394 10.5870 10.5884 10.5897 10.5908 11.5770 11.5775 11.5801 11.5807 12.3552 12.3575 k = 0.1562 0.1106 0.8655 ( 4918 PWs) bands (ev): -6.2619 -6.2600 -6.2590 -6.2588 -6.0529 -6.0528 -6.0521 -6.0513 0.4865 0.4907 0.4918 0.4921 1.3073 1.3125 1.3129 1.3145 3.0348 3.0383 3.0394 3.0396 3.5466 3.5488 3.5573 3.5591 3.7107 3.7278 3.7290 3.7394 3.8866 3.8885 3.9163 3.9248 5.3468 5.4116 5.4393 5.5248 5.6486 5.6694 5.6990 5.7203 6.1000 6.1233 6.1846 6.2025 6.7297 6.7698 6.7787 6.8118 7.0501 7.0747 7.1064 7.1382 10.6428 10.6441 10.6457 10.6464 11.5496 11.5502 11.5522 11.5527 12.3270 12.3299 k = 0.1719 0.1217 0.8655 ( 4916 PWs) bands (ev): -6.2617 -6.2596 -6.2588 -6.2586 -6.0532 -6.0531 -6.0524 -6.0515 0.4996 0.5043 0.5054 0.5058 1.2784 1.2833 1.2839 1.2851 3.0811 3.0842 3.0866 3.0868 3.5234 3.5245 3.5300 3.5346 3.7064 3.7237 3.7254 3.7397 3.8845 3.8886 3.9182 3.9253 5.3457 5.4004 5.4403 5.5248 5.6463 5.6747 5.6999 5.7185 6.1072 6.1248 6.1948 6.2097 6.7171 6.7602 6.7645 6.7960 7.0488 7.0694 7.1056 7.1372 10.6998 10.7012 10.7030 10.7033 11.5167 11.5173 11.5188 11.5191 12.3036 12.3070 k = 0.1875 0.1327 0.8655 ( 4914 PWs) bands (ev): -6.2615 -6.2592 -6.2586 -6.2585 -6.0535 -6.0534 -6.0526 -6.0518 0.5118 0.5170 0.5180 0.5184 1.2529 1.2569 1.2585 1.2591 3.1262 3.1289 3.1327 3.1331 3.4978 3.4982 3.5005 3.5074 3.7034 3.7205 3.7224 3.7402 3.8828 3.8887 3.9199 3.9256 5.3457 5.3900 5.4410 5.5248 5.6440 5.6801 5.7009 5.7160 6.1139 6.1264 6.2041 6.2161 6.7060 6.7518 6.7520 6.7811 7.0482 7.0647 7.1048 7.1364 10.7563 10.7575 10.7595 10.7598 11.4797 11.4805 11.4812 11.4814 12.2857 12.2895 k = 0.2031 0.1438 0.8655 ( 4926 PWs) bands (ev): -6.2613 -6.2589 -6.2584 -6.2583 -6.0538 -6.0537 -6.0529 -6.0520 0.5223 0.5280 0.5288 0.5293 1.2319 1.2349 1.2375 1.2376 3.1687 3.1710 3.1764 3.1774 3.4695 3.4707 3.4708 3.4786 3.7012 3.7183 3.7200 3.7406 3.8813 3.8887 3.9214 3.9256 5.3469 5.3804 5.4413 5.5248 5.6419 5.6855 5.7017 5.7130 6.1197 6.1278 6.2121 6.2211 6.6966 6.7412 6.7455 6.7677 7.0483 7.0606 7.1042 7.1357 10.8093 10.8104 10.8120 10.8133 11.4414 11.4420 11.4422 11.4427 12.2731 12.2774 k = 0.2188 0.1548 0.8655 ( 4920 PWs) bands (ev): -6.2612 -6.2587 -6.2583 -6.2583 -6.0539 -6.0539 -6.0530 -6.0521 0.5305 0.5366 0.5372 0.5378 1.2162 1.2183 1.2213 1.2217 3.2064 3.2081 3.2155 3.2178 3.4389 3.4441 3.4445 3.4502 3.6998 3.7169 3.7182 3.7410 3.8803 3.8888 3.9226 3.9254 5.3493 5.3718 5.4415 5.5249 5.6403 5.6908 5.7024 5.7094 6.1242 6.1290 6.2186 6.2246 6.6897 6.7331 6.7417 6.7566 7.0490 7.0572 7.1038 7.1352 10.8548 10.8555 10.8568 10.8590 11.4058 11.4062 11.4071 11.4072 12.2652 12.2699 k = 0.2344 0.1659 0.8655 ( 4920 PWs) bands (ev): -6.2611 -6.2585 -6.2583 -6.2582 -6.0540 -6.0540 -6.0531 -6.0522 0.5356 0.5421 0.5424 0.5432 1.2066 1.2077 1.2112 1.2119 3.2348 3.2359 3.2454 3.2497 3.4130 3.4227 3.4231 3.4268 3.6990 3.7163 3.7169 3.7412 3.8797 3.8888 3.9237 3.9251 5.3531 5.3644 5.4417 5.5249 5.6393 5.6960 5.7028 5.7053 6.1271 6.1297 6.2232 6.2262 6.6853 6.7281 6.7406 6.7481 7.0502 7.0543 7.1035 7.1350 10.8867 10.8870 10.8878 10.8911 11.3793 11.3805 11.3814 11.3814 12.2610 12.2664 k = 0.2500 0.1769 0.8655 ( 4928 PWs) bands (ev): -6.2611 -6.2584 -6.2584 -6.2582 -6.0541 -6.0541 -6.0531 -6.0522 0.5374 0.5441 0.5441 0.5450 1.2037 1.2037 1.2078 1.2085 3.2464 3.2464 3.2574 3.2631 3.4016 3.4140 3.4140 3.4169 3.6987 3.7163 3.7163 3.7413 3.8794 3.8888 3.9245 3.9245 5.3581 5.3581 5.4416 5.5249 5.6389 5.7009 5.7009 5.7030 6.1280 6.1300 6.2258 6.2258 6.6838 6.7264 6.7428 6.7428 7.0520 7.0520 7.1034 7.1349 10.8985 10.8987 10.8987 10.9028 11.3694 11.3709 11.3717 11.3717 12.2597 12.2653 Writing output data file AlCuS2.save init_run : 3.65s CPU 13.02s WALL ( 1 calls) electrons : 1375.06s CPU 1384.44s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.37s CPU 1.40s WALL ( 1 calls) Called by electrons: c_bands : 1375.04s CPU 1384.22s WALL ( 1 calls) v_of_rho : 0.14s CPU 0.82s WALL ( 1 calls) v_h : 0.04s CPU 0.04s WALL ( 1 calls) v_xc : 0.10s CPU 0.57s WALL ( 1 calls) newd : 0.74s CPU 0.84s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.12s WALL ( 296 calls) cegterg : 1306.40s CPU 1312.57s WALL ( 876 calls) Called by sum_band: Called by *egterg: h_psi : 655.84s CPU 666.83s WALL ( 16550 calls) s_psi : 85.94s CPU 86.37s WALL ( 16550 calls) g_psi : 0.99s CPU 0.96s WALL ( 15378 calls) cdiaghg : 445.88s CPU 442.11s WALL ( 15674 calls) cegterg:over : 79.40s CPU 76.08s WALL ( 15378 calls) cegterg:upda : 20.22s CPU 24.70s WALL ( 15378 calls) cegterg:last : 16.29s CPU 17.01s WALL ( 2060 calls) Called by h_psi: h_psi:vloc : 505.20s CPU 513.93s WALL ( 16550 calls) h_psi:vnl : 150.20s CPU 151.87s WALL ( 16550 calls) add_vuspsi : 62.66s CPU 67.65s WALL ( 16550 calls) General routines calbec : 87.45s CPU 84.02s WALL ( 16550 calls) fft : 0.49s CPU 1.27s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 481.26s CPU 487.95s WALL ( 1478104 calls) interpolate : 0.12s CPU 0.12s WALL ( 4 calls) davcio : 0.03s CPU 1.53s WALL ( 592 calls) Parallel routines fft_scatter : 270.20s CPU 271.81s WALL ( 1478127 calls) PWSCF : 23m56.49s CPU 26m 8.32s WALL This run was terminated on: 9:44:29 10Jun2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=