Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:42:35 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./SrxSiCux2.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: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 61 43 12 1192 687 111 Max 62 44 13 1195 705 114 Sum 2217 1553 451 42969 25065 4039 bravais-lattice index = 14 lattice parameter (alat) = 10.9897 a.u. unit-cell volume = 595.2030 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.989695 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.739208 celldm(5)= -0.739208 celldm(6)= 0.478415 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.478415 0.878134 0.000000 ) a(3) = ( -0.739208 -0.439067 0.510678 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.544809 0.979090 ) b(2) = ( 0.000000 1.138779 0.979090 ) b(3) = ( 0.000000 0.000000 1.958180 ) PseudoPot. # 1 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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: /users/gautes/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 Si 4.00 28.08550 Si( 1.00) Sr 10.00 87.62000 Sr( 1.00) Cu 11.00 63.54600 Cu( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 347 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 2) = ( 0.0000000 0.0000000 0.0184734), wk = 0.0028818 k( 3) = ( 0.0000000 0.0000000 0.0369468), wk = 0.0028818 k( 4) = ( 0.0000000 0.0000000 0.0554202), wk = 0.0028818 k( 5) = ( 0.0000000 0.0000000 0.0738936), wk = 0.0028818 k( 6) = ( 0.0000000 0.0000000 0.0923670), wk = 0.0028818 k( 7) = ( 0.0000000 0.0000000 0.1108403), wk = 0.0028818 k( 8) = ( 0.0000000 0.0000000 0.1293138), wk = 0.0028818 k( 9) = ( 0.0000000 0.0000000 0.1477871), wk = 0.0028818 k( 10) = ( 0.0000000 0.0000000 0.1662605), wk = 0.0028818 k( 11) = ( 0.0000000 0.0000000 0.1847339), wk = 0.0028818 k( 12) = ( 0.0000000 0.0000000 0.2032073), wk = 0.0028818 k( 13) = ( 0.0000000 0.0000000 0.2216807), wk = 0.0028818 k( 14) = ( 0.0000000 0.0000000 0.2401541), wk = 0.0028818 k( 15) = ( 0.0000000 0.0000000 0.2586275), wk = 0.0028818 k( 16) = ( 0.0000000 0.0000000 0.2771009), wk = 0.0028818 k( 17) = ( 0.0000000 0.0000000 0.2955743), wk = 0.0028818 k( 18) = ( 0.0000000 0.0000000 0.3140477), wk = 0.0028818 k( 19) = ( 0.0000000 0.0000000 0.3325211), wk = 0.0028818 k( 20) = ( 0.0000000 0.0000000 0.3509944), wk = 0.0028818 k( 21) = ( 0.0000000 0.0000000 0.3694678), wk = 0.0028818 k( 22) = ( 0.0000000 0.0000000 0.3879412), wk = 0.0028818 k( 23) = ( 0.0000000 0.0000000 0.4064146), wk = 0.0028818 k( 24) = ( 0.0000000 0.0000000 0.4248880), wk = 0.0028818 k( 25) = ( 0.0000000 0.0000000 0.4433614), wk = 0.0028818 k( 26) = ( 0.0000000 0.0000000 0.4618348), wk = 0.0028818 k( 27) = ( 0.0000000 0.0000000 0.4803082), wk = 0.0028818 k( 28) = ( 0.0000000 0.0000000 0.4987816), wk = 0.0028818 k( 29) = ( 0.0000000 0.0000000 0.5172550), wk = 0.0028818 k( 30) = ( 0.0000000 0.0000000 0.5357284), wk = 0.0028818 k( 31) = ( 0.0000000 0.0000000 0.5542018), wk = 0.0028818 k( 32) = ( 0.0000000 0.0000000 0.5726751), wk = 0.0028818 k( 33) = ( 0.0000000 0.0000000 0.5911485), wk = 0.0028818 k( 34) = ( 0.0000000 0.0000000 0.6096219), wk = 0.0028818 k( 35) = ( 0.0000000 0.0000000 0.6280953), wk = 0.0028818 k( 36) = ( 0.0000000 0.0000000 0.6465687), wk = 0.0028818 k( 37) = ( 0.0000000 0.0000000 0.6650421), wk = 0.0028818 k( 38) = ( 0.0000000 0.0000000 0.6835155), wk = 0.0028818 k( 39) = ( 0.0000000 0.0000000 0.7019889), wk = 0.0028818 k( 40) = ( 0.0000000 0.0000000 0.7204623), wk = 0.0028818 k( 41) = ( 0.0000000 0.0000000 0.7389357), wk = 0.0028818 k( 42) = ( 0.0000000 0.0000000 0.7574091), wk = 0.0028818 k( 43) = ( 0.0000000 0.0000000 0.7758825), wk = 0.0028818 k( 44) = ( 0.0000000 0.0000000 0.7943559), wk = 0.0028818 k( 45) = ( 0.0000000 0.0000000 0.8128292), wk = 0.0028818 k( 46) = ( 0.0000000 0.0000000 0.8313026), wk = 0.0028818 k( 47) = ( 0.0000000 0.0000000 0.8497760), wk = 0.0028818 k( 48) = ( 0.0000000 0.0000000 0.8682494), wk = 0.0028818 k( 49) = ( 0.0000000 0.0000000 0.8867228), wk = 0.0028818 k( 50) = ( 0.0000000 0.0000000 0.9051962), wk = 0.0028818 k( 51) = ( 0.0000000 0.0000000 0.9236696), wk = 0.0028818 k( 52) = ( 0.0000000 0.0000000 0.9421430), wk = 0.0028818 k( 53) = ( 0.0000000 0.0000000 0.9606164), wk = 0.0028818 k( 54) = ( 0.0000000 0.0000000 0.9790898), wk = 0.0028818 k( 55) = ( 0.0000000 0.0000000 0.9790898), wk = 0.0028818 k( 56) = ( -0.0088200 0.0148492 0.9790898), wk = 0.0028818 k( 57) = ( -0.0176400 0.0296985 0.9790898), wk = 0.0028818 k( 58) = ( -0.0264600 0.0445477 0.9790898), wk = 0.0028818 k( 59) = ( -0.0352800 0.0593970 0.9790898), wk = 0.0028818 k( 60) = ( -0.0441000 0.0742462 0.9790898), wk = 0.0028818 k( 61) = ( -0.0529200 0.0890955 0.9790898), wk = 0.0028818 k( 62) = ( -0.0617400 0.1039447 0.9790898), wk = 0.0028818 k( 63) = ( -0.0705600 0.1187939 0.9790898), wk = 0.0028818 k( 64) = ( -0.0793800 0.1336432 0.9790898), wk = 0.0028818 k( 65) = ( -0.0882000 0.1484924 0.9790898), wk = 0.0028818 k( 66) = ( -0.0882000 0.1484924 0.9790898), wk = 0.0028818 k( 67) = ( -0.0948419 0.1596747 0.9660837), wk = 0.0028818 k( 68) = ( -0.1014839 0.1708570 0.9530776), wk = 0.0028818 k( 69) = ( -0.1081258 0.1820393 0.9400715), wk = 0.0028818 k( 70) = ( -0.1147677 0.1932215 0.9270654), wk = 0.0028818 k( 71) = ( -0.1214097 0.2044038 0.9140593), wk = 0.0028818 k( 72) = ( -0.1280516 0.2155861 0.9010532), wk = 0.0028818 k( 73) = ( -0.1346935 0.2267684 0.8880471), wk = 0.0028818 k( 74) = ( -0.1413355 0.2379507 0.8750410), wk = 0.0028818 k( 75) = ( -0.1479774 0.2491329 0.8620349), wk = 0.0028818 k( 76) = ( -0.1546193 0.2603152 0.8490288), wk = 0.0028818 k( 77) = ( -0.1612613 0.2714975 0.8360226), wk = 0.0028818 k( 78) = ( -0.1679032 0.2826798 0.8230165), wk = 0.0028818 k( 79) = ( -0.1745452 0.2938621 0.8100104), wk = 0.0028818 k( 80) = ( -0.1811871 0.3050444 0.7970043), wk = 0.0028818 k( 81) = ( -0.1878290 0.3162266 0.7839982), wk = 0.0028818 k( 82) = ( -0.1944710 0.3274089 0.7709921), wk = 0.0028818 k( 83) = ( -0.2011129 0.3385912 0.7579860), wk = 0.0028818 k( 84) = ( -0.2077548 0.3497735 0.7449799), wk = 0.0028818 k( 85) = ( -0.2143968 0.3609557 0.7319738), wk = 0.0028818 k( 86) = ( -0.2210387 0.3721380 0.7189677), wk = 0.0028818 k( 87) = ( -0.2276807 0.3833203 0.7059616), wk = 0.0028818 k( 88) = ( -0.2343226 0.3945026 0.6929555), wk = 0.0028818 k( 89) = ( -0.2409645 0.4056849 0.6799494), wk = 0.0028818 k( 90) = ( -0.2476065 0.4168671 0.6669433), wk = 0.0028818 k( 91) = ( -0.2542484 0.4280494 0.6539372), wk = 0.0028818 k( 92) = ( -0.2608903 0.4392317 0.6409311), wk = 0.0028818 k( 93) = ( -0.2675323 0.4504140 0.6279250), wk = 0.0028818 k( 94) = ( -0.2741742 0.4615963 0.6149189), wk = 0.0028818 k( 95) = ( -0.2808161 0.4727785 0.6019128), wk = 0.0028818 k( 96) = ( -0.2874581 0.4839608 0.5889067), wk = 0.0028818 k( 97) = ( -0.2941000 0.4951431 0.5759006), wk = 0.0028818 k( 98) = ( -0.2941000 0.4951431 0.5759006), wk = 0.0028818 k( 99) = ( -0.2874159 0.4838899 0.5628120), wk = 0.0028818 k( 100) = ( -0.2807318 0.4726366 0.5497233), wk = 0.0028818 k( 101) = ( -0.2740477 0.4613834 0.5366347), wk = 0.0028818 k( 102) = ( -0.2673636 0.4501301 0.5235460), wk = 0.0028818 k( 103) = ( -0.2606795 0.4388769 0.5104574), wk = 0.0028818 k( 104) = ( -0.2539955 0.4276236 0.4973687), wk = 0.0028818 k( 105) = ( -0.2473114 0.4163703 0.4842800), wk = 0.0028818 k( 106) = ( -0.2406273 0.4051171 0.4711914), wk = 0.0028818 k( 107) = ( -0.2339432 0.3938638 0.4581027), wk = 0.0028818 k( 108) = ( -0.2272591 0.3826106 0.4450141), wk = 0.0028818 k( 109) = ( -0.2205750 0.3713573 0.4319255), wk = 0.0028818 k( 110) = ( -0.2138909 0.3601041 0.4188368), wk = 0.0028818 k( 111) = ( -0.2072068 0.3488508 0.4057482), wk = 0.0028818 k( 112) = ( -0.2005227 0.3375976 0.3926595), wk = 0.0028818 k( 113) = ( -0.1938386 0.3263443 0.3795709), wk = 0.0028818 k( 114) = ( -0.1871546 0.3150911 0.3664822), wk = 0.0028818 k( 115) = ( -0.1804705 0.3038378 0.3533935), wk = 0.0028818 k( 116) = ( -0.1737864 0.2925846 0.3403049), wk = 0.0028818 k( 117) = ( -0.1671023 0.2813313 0.3272162), wk = 0.0028818 k( 118) = ( -0.1604182 0.2700781 0.3141276), wk = 0.0028818 k( 119) = ( -0.1537341 0.2588248 0.3010390), wk = 0.0028818 k( 120) = ( -0.1470500 0.2475716 0.2879503), wk = 0.0028818 k( 121) = ( -0.1403659 0.2363183 0.2748617), wk = 0.0028818 k( 122) = ( -0.1336818 0.2250651 0.2617730), wk = 0.0028818 k( 123) = ( -0.1269977 0.2138118 0.2486844), wk = 0.0028818 k( 124) = ( -0.1203136 0.2025585 0.2355957), wk = 0.0028818 k( 125) = ( -0.1136295 0.1913053 0.2225071), wk = 0.0028818 k( 126) = ( -0.1069454 0.1800520 0.2094184), wk = 0.0028818 k( 127) = ( -0.1002614 0.1687988 0.1963297), wk = 0.0028818 k( 128) = ( -0.0935773 0.1575455 0.1832411), wk = 0.0028818 k( 129) = ( -0.0868932 0.1462923 0.1701524), wk = 0.0028818 k( 130) = ( -0.0802091 0.1350390 0.1570638), wk = 0.0028818 k( 131) = ( -0.0735250 0.1237858 0.1439752), wk = 0.0028818 k( 132) = ( -0.0668409 0.1125325 0.1308865), wk = 0.0028818 k( 133) = ( -0.0601568 0.1012793 0.1177979), wk = 0.0028818 k( 134) = ( -0.0534727 0.0900260 0.1047092), wk = 0.0028818 k( 135) = ( -0.0467886 0.0787728 0.0916206), wk = 0.0028818 k( 136) = ( -0.0401046 0.0675195 0.0785319), wk = 0.0028818 k( 137) = ( -0.0334204 0.0562663 0.0654432), wk = 0.0028818 k( 138) = ( -0.0267364 0.0450130 0.0523546), wk = 0.0028818 k( 139) = ( -0.0200523 0.0337598 0.0392659), wk = 0.0028818 k( 140) = ( -0.0133682 0.0225065 0.0261773), wk = 0.0028818 k( 141) = ( -0.0066841 0.0112533 0.0130886), wk = 0.0028818 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 144) = ( 0.0156250 0.0092808 0.0000000), wk = 0.0028818 k( 145) = ( 0.0312500 0.0185616 0.0000000), wk = 0.0028818 k( 146) = ( 0.0468750 0.0278423 0.0000000), wk = 0.0028818 k( 147) = ( 0.0625000 0.0371231 0.0000000), wk = 0.0028818 k( 148) = ( 0.0781250 0.0464039 0.0000000), wk = 0.0028818 k( 149) = ( 0.0937500 0.0556847 0.0000000), wk = 0.0028818 k( 150) = ( 0.1093750 0.0649654 0.0000000), wk = 0.0028818 k( 151) = ( 0.1250000 0.0742462 0.0000000), wk = 0.0028818 k( 152) = ( 0.1406250 0.0835270 0.0000000), wk = 0.0028818 k( 153) = ( 0.1562500 0.0928078 0.0000000), wk = 0.0028818 k( 154) = ( 0.1718750 0.1020885 0.0000000), wk = 0.0028818 k( 155) = ( 0.1875000 0.1113693 0.0000000), wk = 0.0028818 k( 156) = ( 0.2031250 0.1206501 0.0000000), wk = 0.0028818 k( 157) = ( 0.2187500 0.1299309 0.0000000), wk = 0.0028818 k( 158) = ( 0.2343750 0.1392116 0.0000000), wk = 0.0028818 k( 159) = ( 0.2500000 0.1484924 0.0000000), wk = 0.0028818 k( 160) = ( 0.2656250 0.1577732 0.0000000), wk = 0.0028818 k( 161) = ( 0.2812500 0.1670540 0.0000000), wk = 0.0028818 k( 162) = ( 0.2968750 0.1763348 0.0000000), wk = 0.0028818 k( 163) = ( 0.3125000 0.1856155 0.0000000), wk = 0.0028818 k( 164) = ( 0.3281250 0.1948963 0.0000000), wk = 0.0028818 k( 165) = ( 0.3437500 0.2041771 0.0000000), wk = 0.0028818 k( 166) = ( 0.3593750 0.2134579 0.0000000), wk = 0.0028818 k( 167) = ( 0.3750000 0.2227386 0.0000000), wk = 0.0028818 k( 168) = ( 0.3906250 0.2320194 0.0000000), wk = 0.0028818 k( 169) = ( 0.4062500 0.2413002 0.0000000), wk = 0.0028818 k( 170) = ( 0.4218750 0.2505810 0.0000000), wk = 0.0028818 k( 171) = ( 0.4375000 0.2598617 0.0000000), wk = 0.0028818 k( 172) = ( 0.4531250 0.2691425 0.0000000), wk = 0.0028818 k( 173) = ( 0.4687500 0.2784233 0.0000000), wk = 0.0028818 k( 174) = ( 0.4843750 0.2877041 0.0000000), wk = 0.0028818 k( 175) = ( 0.5000000 0.2969848 0.0000000), wk = 0.0028818 k( 176) = ( 0.5000000 0.2969848 0.0000000), wk = 0.0028818 k( 177) = ( 0.4933581 0.3081671 0.0130061), wk = 0.0028818 k( 178) = ( 0.4867161 0.3193494 0.0260122), wk = 0.0028818 k( 179) = ( 0.4800742 0.3305317 0.0390183), wk = 0.0028818 k( 180) = ( 0.4734323 0.3417140 0.0520244), wk = 0.0028818 k( 181) = ( 0.4667903 0.3528963 0.0650305), wk = 0.0028818 k( 182) = ( 0.4601484 0.3640785 0.0780366), wk = 0.0028818 k( 183) = ( 0.4535065 0.3752608 0.0910427), wk = 0.0028818 k( 184) = ( 0.4468645 0.3864431 0.1040488), wk = 0.0028818 k( 185) = ( 0.4402226 0.3976254 0.1170549), wk = 0.0028818 k( 186) = ( 0.4335807 0.4088076 0.1300610), wk = 0.0028818 k( 187) = ( 0.4269387 0.4199899 0.1430671), wk = 0.0028818 k( 188) = ( 0.4202968 0.4311722 0.1560732), wk = 0.0028818 k( 189) = ( 0.4136548 0.4423545 0.1690793), wk = 0.0028818 k( 190) = ( 0.4070129 0.4535368 0.1820854), wk = 0.0028818 k( 191) = ( 0.4003710 0.4647190 0.1950915), wk = 0.0028818 k( 192) = ( 0.3937290 0.4759013 0.2080976), wk = 0.0028818 k( 193) = ( 0.3870871 0.4870836 0.2211037), wk = 0.0028818 k( 194) = ( 0.3804452 0.4982659 0.2341098), wk = 0.0028818 k( 195) = ( 0.3738032 0.5094482 0.2471159), wk = 0.0028818 k( 196) = ( 0.3671613 0.5206304 0.2601220), wk = 0.0028818 k( 197) = ( 0.3605194 0.5318127 0.2731282), wk = 0.0028818 k( 198) = ( 0.3538774 0.5429950 0.2861342), wk = 0.0028818 k( 199) = ( 0.3472355 0.5541773 0.2991404), wk = 0.0028818 k( 200) = ( 0.3405936 0.5653596 0.3121464), wk = 0.0028818 k( 201) = ( 0.3339516 0.5765419 0.3251526), wk = 0.0028818 k( 202) = ( 0.3273097 0.5877241 0.3381587), wk = 0.0028818 k( 203) = ( 0.3206677 0.5989064 0.3511648), wk = 0.0028818 k( 204) = ( 0.3140258 0.6100887 0.3641709), wk = 0.0028818 k( 205) = ( 0.3073839 0.6212710 0.3771770), wk = 0.0028818 k( 206) = ( 0.3007419 0.6324532 0.3901831), wk = 0.0028818 k( 207) = ( 0.2941000 0.6436355 0.4031892), wk = 0.0028818 k( 208) = ( 0.2941000 0.6436355 0.4031892), wk = 0.0028818 k( 209) = ( 0.2777611 0.6395107 0.4079867), wk = 0.0028818 k( 210) = ( 0.2614222 0.6353859 0.4127842), wk = 0.0028818 k( 211) = ( 0.2450833 0.6312612 0.4175818), wk = 0.0028818 k( 212) = ( 0.2287444 0.6271364 0.4223793), wk = 0.0028818 k( 213) = ( 0.2124056 0.6230116 0.4271769), wk = 0.0028818 k( 214) = ( 0.1960667 0.6188868 0.4319744), wk = 0.0028818 k( 215) = ( 0.1797278 0.6147620 0.4367719), wk = 0.0028818 k( 216) = ( 0.1633889 0.6106372 0.4415695), wk = 0.0028818 k( 217) = ( 0.1470500 0.6065124 0.4463670), wk = 0.0028818 k( 218) = ( 0.1307111 0.6023876 0.4511646), wk = 0.0028818 k( 219) = ( 0.1143722 0.5982628 0.4559621), wk = 0.0028818 k( 220) = ( 0.0980333 0.5941381 0.4607596), wk = 0.0028818 k( 221) = ( 0.0816944 0.5900133 0.4655572), wk = 0.0028818 k( 222) = ( 0.0653556 0.5858885 0.4703547), wk = 0.0028818 k( 223) = ( 0.0490167 0.5817637 0.4751523), wk = 0.0028818 k( 224) = ( 0.0326778 0.5776389 0.4799498), wk = 0.0028818 k( 225) = ( 0.0163389 0.5735141 0.4847473), wk = 0.0028818 k( 226) = ( 0.0000000 0.5693893 0.4895449), wk = 0.0028818 k( 227) = ( 0.0000000 0.5693893 0.4895449), wk = 0.0028818 k( 228) = ( 0.0065790 0.5583131 0.5024277), wk = 0.0028818 k( 229) = ( 0.0131579 0.5472369 0.5153104), wk = 0.0028818 k( 230) = ( 0.0197368 0.5361606 0.5281932), wk = 0.0028818 k( 231) = ( 0.0263158 0.5250844 0.5410759), wk = 0.0028818 k( 232) = ( 0.0328947 0.5140081 0.5539587), wk = 0.0028818 k( 233) = ( 0.0394737 0.5029319 0.5668414), wk = 0.0028818 k( 234) = ( 0.0460526 0.4918557 0.5797242), wk = 0.0028818 k( 235) = ( 0.0526316 0.4807794 0.5926070), wk = 0.0028818 k( 236) = ( 0.0592105 0.4697032 0.6054897), wk = 0.0028818 k( 237) = ( 0.0657895 0.4586270 0.6183725), wk = 0.0028818 k( 238) = ( 0.0723684 0.4475507 0.6312552), wk = 0.0028818 k( 239) = ( 0.0789474 0.4364745 0.6441380), wk = 0.0028818 k( 240) = ( 0.0855263 0.4253983 0.6570208), wk = 0.0028818 k( 241) = ( 0.0921053 0.4143220 0.6699035), wk = 0.0028818 k( 242) = ( 0.0986842 0.4032458 0.6827863), wk = 0.0028818 k( 243) = ( 0.1052632 0.3921696 0.6956691), wk = 0.0028818 k( 244) = ( 0.1118421 0.3810933 0.7085518), wk = 0.0028818 k( 245) = ( 0.1184210 0.3700171 0.7214346), wk = 0.0028818 k( 246) = ( 0.1250000 0.3589409 0.7343173), wk = 0.0028818 k( 247) = ( 0.1315790 0.3478646 0.7472001), wk = 0.0028818 k( 248) = ( 0.1381579 0.3367884 0.7600828), wk = 0.0028818 k( 249) = ( 0.1447368 0.3257122 0.7729656), wk = 0.0028818 k( 250) = ( 0.1513158 0.3146359 0.7858484), wk = 0.0028818 k( 251) = ( 0.1578947 0.3035597 0.7987311), wk = 0.0028818 k( 252) = ( 0.1644737 0.2924835 0.8116139), wk = 0.0028818 k( 253) = ( 0.1710526 0.2814072 0.8244966), wk = 0.0028818 k( 254) = ( 0.1776316 0.2703310 0.8373794), wk = 0.0028818 k( 255) = ( 0.1842105 0.2592548 0.8502622), wk = 0.0028818 k( 256) = ( 0.1907895 0.2481785 0.8631449), wk = 0.0028818 k( 257) = ( 0.1973684 0.2371023 0.8760277), wk = 0.0028818 k( 258) = ( 0.2039474 0.2260261 0.8889105), wk = 0.0028818 k( 259) = ( 0.2105263 0.2149498 0.9017932), wk = 0.0028818 k( 260) = ( 0.2171053 0.2038736 0.9146760), wk = 0.0028818 k( 261) = ( 0.2236842 0.1927974 0.9275587), wk = 0.0028818 k( 262) = ( 0.2302632 0.1817211 0.9404415), wk = 0.0028818 k( 263) = ( 0.2368421 0.1706449 0.9533243), wk = 0.0028818 k( 264) = ( 0.2434210 0.1595687 0.9662070), wk = 0.0028818 k( 265) = ( 0.2500000 0.1484924 0.9790898), wk = 0.0028818 k( 266) = ( 0.2500000 0.1484924 0.9790898), wk = 0.0028818 k( 267) = ( 0.2631579 0.1563078 0.9699997), wk = 0.0028818 k( 268) = ( 0.2763158 0.1641232 0.9609096), wk = 0.0028818 k( 269) = ( 0.2894737 0.1719386 0.9518195), wk = 0.0028818 k( 270) = ( 0.3026316 0.1797540 0.9427295), wk = 0.0028818 k( 271) = ( 0.3157895 0.1875694 0.9336394), wk = 0.0028818 k( 272) = ( 0.3289474 0.1953848 0.9245493), wk = 0.0028818 k( 273) = ( 0.3421053 0.2032002 0.9154592), wk = 0.0028818 k( 274) = ( 0.3552632 0.2110156 0.9063692), wk = 0.0028818 k( 275) = ( 0.3684211 0.2188309 0.8972791), wk = 0.0028818 k( 276) = ( 0.3815789 0.2266463 0.8881890), wk = 0.0028818 k( 277) = ( 0.3947368 0.2344617 0.8790989), wk = 0.0028818 k( 278) = ( 0.4078947 0.2422771 0.8700089), wk = 0.0028818 k( 279) = ( 0.4210526 0.2500925 0.8609188), wk = 0.0028818 k( 280) = ( 0.4342105 0.2579079 0.8518287), wk = 0.0028818 k( 281) = ( 0.4473684 0.2657233 0.8427386), wk = 0.0028818 k( 282) = ( 0.4605263 0.2735387 0.8336486), wk = 0.0028818 k( 283) = ( 0.4736842 0.2813541 0.8245585), wk = 0.0028818 k( 284) = ( 0.4868421 0.2891695 0.8154684), wk = 0.0028818 k( 285) = ( 0.5000000 0.2969848 0.8063783), wk = 0.0028818 k( 286) = ( 0.5000000 0.2969848 0.8063783), wk = 0.0028818 k( 287) = ( 0.5000000 0.2969848 0.7880516), wk = 0.0028818 k( 288) = ( 0.5000000 0.2969848 0.7697248), wk = 0.0028818 k( 289) = ( 0.5000000 0.2969848 0.7513980), wk = 0.0028818 k( 290) = ( 0.5000000 0.2969848 0.7330712), wk = 0.0028818 k( 291) = ( 0.5000000 0.2969848 0.7147444), wk = 0.0028818 k( 292) = ( 0.5000000 0.2969848 0.6964176), wk = 0.0028818 k( 293) = ( 0.5000000 0.2969848 0.6780909), wk = 0.0028818 k( 294) = ( 0.5000000 0.2969848 0.6597641), wk = 0.0028818 k( 295) = ( 0.5000000 0.2969848 0.6414373), wk = 0.0028818 k( 296) = ( 0.5000000 0.2969848 0.6231105), wk = 0.0028818 k( 297) = ( 0.5000000 0.2969848 0.6047838), wk = 0.0028818 k( 298) = ( 0.5000000 0.2969848 0.5864570), wk = 0.0028818 k( 299) = ( 0.5000000 0.2969848 0.5681302), wk = 0.0028818 k( 300) = ( 0.5000000 0.2969848 0.5498034), wk = 0.0028818 k( 301) = ( 0.5000000 0.2969848 0.5314766), wk = 0.0028818 k( 302) = ( 0.5000000 0.2969848 0.5131499), wk = 0.0028818 k( 303) = ( 0.5000000 0.2969848 0.4948231), wk = 0.0028818 k( 304) = ( 0.5000000 0.2969848 0.4764963), wk = 0.0028818 k( 305) = ( 0.5000000 0.2969848 0.4581695), wk = 0.0028818 k( 306) = ( 0.5000000 0.2969848 0.4398427), wk = 0.0028818 k( 307) = ( 0.5000000 0.2969848 0.4215159), wk = 0.0028818 k( 308) = ( 0.5000000 0.2969848 0.4031892), wk = 0.0028818 k( 309) = ( 0.5000000 0.2969848 0.3848624), wk = 0.0028818 k( 310) = ( 0.5000000 0.2969848 0.3665356), wk = 0.0028818 k( 311) = ( 0.5000000 0.2969848 0.3482088), wk = 0.0028818 k( 312) = ( 0.5000000 0.2969848 0.3298821), wk = 0.0028818 k( 313) = ( 0.5000000 0.2969848 0.3115553), wk = 0.0028818 k( 314) = ( 0.5000000 0.2969848 0.2932285), wk = 0.0028818 k( 315) = ( 0.5000000 0.2969848 0.2749017), wk = 0.0028818 k( 316) = ( 0.5000000 0.2969848 0.2565749), wk = 0.0028818 k( 317) = ( 0.5000000 0.2969848 0.2382481), wk = 0.0028818 k( 318) = ( 0.5000000 0.2969848 0.2199214), wk = 0.0028818 k( 319) = ( 0.5000000 0.2969848 0.2015946), wk = 0.0028818 k( 320) = ( 0.5000000 0.2969848 0.1832678), wk = 0.0028818 k( 321) = ( 0.5000000 0.2969848 0.1649410), wk = 0.0028818 k( 322) = ( 0.5000000 0.2969848 0.1466142), wk = 0.0028818 k( 323) = ( 0.5000000 0.2969848 0.1282875), wk = 0.0028818 k( 324) = ( 0.5000000 0.2969848 0.1099607), wk = 0.0028818 k( 325) = ( 0.5000000 0.2969848 0.0916339), wk = 0.0028818 k( 326) = ( 0.5000000 0.2969848 0.0733071), wk = 0.0028818 k( 327) = ( 0.5000000 0.2969848 0.0549803), wk = 0.0028818 k( 328) = ( 0.5000000 0.2969848 0.0366536), wk = 0.0028818 k( 329) = ( 0.5000000 0.2969848 0.0183268), wk = 0.0028818 k( 330) = ( 0.5000000 0.2969848 0.0000000), wk = 0.0028818 k( 331) = ( 0.0000000 0.0000000 0.9790898), wk = 0.0028818 k( 332) = ( 0.0156250 0.0092808 0.9790898), wk = 0.0028818 k( 333) = ( 0.0312500 0.0185616 0.9790898), wk = 0.0028818 k( 334) = ( 0.0468750 0.0278423 0.9790898), wk = 0.0028818 k( 335) = ( 0.0625000 0.0371231 0.9790898), wk = 0.0028818 k( 336) = ( 0.0781250 0.0464039 0.9790898), wk = 0.0028818 k( 337) = ( 0.0937500 0.0556847 0.9790898), wk = 0.0028818 k( 338) = ( 0.1093750 0.0649654 0.9790898), wk = 0.0028818 k( 339) = ( 0.1250000 0.0742462 0.9790898), wk = 0.0028818 k( 340) = ( 0.1406250 0.0835270 0.9790898), wk = 0.0028818 k( 341) = ( 0.1562500 0.0928078 0.9790898), wk = 0.0028818 k( 342) = ( 0.1718750 0.1020885 0.9790898), wk = 0.0028818 k( 343) = ( 0.1875000 0.1113693 0.9790898), wk = 0.0028818 k( 344) = ( 0.2031250 0.1206501 0.9790898), wk = 0.0028818 k( 345) = ( 0.2187500 0.1299309 0.9790898), wk = 0.0028818 k( 346) = ( 0.2343750 0.1392116 0.9790898), wk = 0.0028818 k( 347) = ( 0.2500000 0.1484924 0.9790898), wk = 0.0028818 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 2) = ( 0.0000000 0.0000000 0.0094340), wk = 0.0028818 k( 3) = ( 0.0000000 0.0000000 0.0188679), wk = 0.0028818 k( 4) = ( 0.0000000 0.0000000 0.0283019), wk = 0.0028818 k( 5) = ( 0.0000000 0.0000000 0.0377359), wk = 0.0028818 k( 6) = ( 0.0000000 0.0000000 0.0471698), wk = 0.0028818 k( 7) = ( 0.0000000 0.0000000 0.0566038), wk = 0.0028818 k( 8) = ( 0.0000000 0.0000000 0.0660377), wk = 0.0028818 k( 9) = ( 0.0000000 0.0000000 0.0754717), wk = 0.0028818 k( 10) = ( 0.0000000 0.0000000 0.0849057), wk = 0.0028818 k( 11) = ( 0.0000000 0.0000000 0.0943396), wk = 0.0028818 k( 12) = ( 0.0000000 0.0000000 0.1037736), wk = 0.0028818 k( 13) = ( 0.0000000 0.0000000 0.1132076), wk = 0.0028818 k( 14) = ( 0.0000000 0.0000000 0.1226415), wk = 0.0028818 k( 15) = ( 0.0000000 0.0000000 0.1320755), wk = 0.0028818 k( 16) = ( 0.0000000 0.0000000 0.1415094), wk = 0.0028818 k( 17) = ( 0.0000000 0.0000000 0.1509434), wk = 0.0028818 k( 18) = ( 0.0000000 0.0000000 0.1603774), wk = 0.0028818 k( 19) = ( 0.0000000 0.0000000 0.1698113), wk = 0.0028818 k( 20) = ( 0.0000000 0.0000000 0.1792453), wk = 0.0028818 k( 21) = ( 0.0000000 0.0000000 0.1886792), wk = 0.0028818 k( 22) = ( 0.0000000 0.0000000 0.1981132), wk = 0.0028818 k( 23) = ( 0.0000000 0.0000000 0.2075472), wk = 0.0028818 k( 24) = ( 0.0000000 0.0000000 0.2169811), wk = 0.0028818 k( 25) = ( 0.0000000 0.0000000 0.2264151), wk = 0.0028818 k( 26) = ( 0.0000000 0.0000000 0.2358491), wk = 0.0028818 k( 27) = ( 0.0000000 0.0000000 0.2452830), wk = 0.0028818 k( 28) = ( 0.0000000 0.0000000 0.2547170), wk = 0.0028818 k( 29) = ( 0.0000000 0.0000000 0.2641509), wk = 0.0028818 k( 30) = ( 0.0000000 0.0000000 0.2735849), wk = 0.0028818 k( 31) = ( 0.0000000 0.0000000 0.2830189), wk = 0.0028818 k( 32) = ( 0.0000000 0.0000000 0.2924528), wk = 0.0028818 k( 33) = ( 0.0000000 0.0000000 0.3018868), wk = 0.0028818 k( 34) = ( 0.0000000 0.0000000 0.3113207), wk = 0.0028818 k( 35) = ( 0.0000000 0.0000000 0.3207547), wk = 0.0028818 k( 36) = ( 0.0000000 0.0000000 0.3301887), wk = 0.0028818 k( 37) = ( 0.0000000 0.0000000 0.3396226), wk = 0.0028818 k( 38) = ( 0.0000000 0.0000000 0.3490566), wk = 0.0028818 k( 39) = ( 0.0000000 0.0000000 0.3584906), wk = 0.0028818 k( 40) = ( 0.0000000 0.0000000 0.3679245), wk = 0.0028818 k( 41) = ( 0.0000000 0.0000000 0.3773585), wk = 0.0028818 k( 42) = ( 0.0000000 0.0000000 0.3867925), wk = 0.0028818 k( 43) = ( 0.0000000 0.0000000 0.3962264), wk = 0.0028818 k( 44) = ( 0.0000000 0.0000000 0.4056604), wk = 0.0028818 k( 45) = ( 0.0000000 0.0000000 0.4150943), wk = 0.0028818 k( 46) = ( 0.0000000 0.0000000 0.4245283), wk = 0.0028818 k( 47) = ( 0.0000000 0.0000000 0.4339623), wk = 0.0028818 k( 48) = ( 0.0000000 0.0000000 0.4433962), wk = 0.0028818 k( 49) = ( 0.0000000 0.0000000 0.4528302), wk = 0.0028818 k( 50) = ( 0.0000000 0.0000000 0.4622642), wk = 0.0028818 k( 51) = ( 0.0000000 0.0000000 0.4716981), wk = 0.0028818 k( 52) = ( 0.0000000 0.0000000 0.4811321), wk = 0.0028818 k( 53) = ( 0.0000000 0.0000000 0.4905660), wk = 0.0028818 k( 54) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028818 k( 55) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028818 k( 56) = ( -0.0088200 0.0088200 0.5000000), wk = 0.0028818 k( 57) = ( -0.0176400 0.0176400 0.5000000), wk = 0.0028818 k( 58) = ( -0.0264600 0.0264600 0.5000000), wk = 0.0028818 k( 59) = ( -0.0352800 0.0352800 0.5000000), wk = 0.0028818 k( 60) = ( -0.0441000 0.0441000 0.5000000), wk = 0.0028818 k( 61) = ( -0.0529200 0.0529200 0.5000000), wk = 0.0028818 k( 62) = ( -0.0617400 0.0617400 0.5000000), wk = 0.0028818 k( 63) = ( -0.0705600 0.0705600 0.5000000), wk = 0.0028818 k( 64) = ( -0.0793800 0.0793800 0.5000000), wk = 0.0028818 k( 65) = ( -0.0882000 0.0882000 0.5000000), wk = 0.0028818 k( 66) = ( -0.0882000 0.0882000 0.5000000), wk = 0.0028818 k( 67) = ( -0.0948419 0.0948419 0.4933581), wk = 0.0028818 k( 68) = ( -0.1014839 0.1014839 0.4867161), wk = 0.0028818 k( 69) = ( -0.1081258 0.1081258 0.4800742), wk = 0.0028818 k( 70) = ( -0.1147677 0.1147677 0.4734323), wk = 0.0028818 k( 71) = ( -0.1214097 0.1214097 0.4667903), wk = 0.0028818 k( 72) = ( -0.1280516 0.1280516 0.4601484), wk = 0.0028818 k( 73) = ( -0.1346935 0.1346935 0.4535065), wk = 0.0028818 k( 74) = ( -0.1413355 0.1413355 0.4468645), wk = 0.0028818 k( 75) = ( -0.1479774 0.1479774 0.4402226), wk = 0.0028818 k( 76) = ( -0.1546193 0.1546193 0.4335807), wk = 0.0028818 k( 77) = ( -0.1612613 0.1612613 0.4269387), wk = 0.0028818 k( 78) = ( -0.1679032 0.1679032 0.4202968), wk = 0.0028818 k( 79) = ( -0.1745452 0.1745452 0.4136548), wk = 0.0028818 k( 80) = ( -0.1811871 0.1811871 0.4070129), wk = 0.0028818 k( 81) = ( -0.1878290 0.1878290 0.4003710), wk = 0.0028818 k( 82) = ( -0.1944710 0.1944710 0.3937290), wk = 0.0028818 k( 83) = ( -0.2011129 0.2011129 0.3870871), wk = 0.0028818 k( 84) = ( -0.2077548 0.2077548 0.3804452), wk = 0.0028818 k( 85) = ( -0.2143968 0.2143968 0.3738032), wk = 0.0028818 k( 86) = ( -0.2210387 0.2210387 0.3671613), wk = 0.0028818 k( 87) = ( -0.2276807 0.2276807 0.3605194), wk = 0.0028818 k( 88) = ( -0.2343226 0.2343226 0.3538774), wk = 0.0028818 k( 89) = ( -0.2409645 0.2409645 0.3472355), wk = 0.0028818 k( 90) = ( -0.2476065 0.2476065 0.3405936), wk = 0.0028818 k( 91) = ( -0.2542484 0.2542484 0.3339516), wk = 0.0028818 k( 92) = ( -0.2608903 0.2608903 0.3273097), wk = 0.0028818 k( 93) = ( -0.2675323 0.2675323 0.3206677), wk = 0.0028818 k( 94) = ( -0.2741742 0.2741742 0.3140258), wk = 0.0028818 k( 95) = ( -0.2808161 0.2808161 0.3073839), wk = 0.0028818 k( 96) = ( -0.2874581 0.2874581 0.3007419), wk = 0.0028818 k( 97) = ( -0.2941000 0.2941000 0.2941000), wk = 0.0028818 k( 98) = ( -0.2941000 0.2941000 0.2941000), wk = 0.0028818 k( 99) = ( -0.2874159 0.2874159 0.2874159), wk = 0.0028818 k( 100) = ( -0.2807318 0.2807318 0.2807318), wk = 0.0028818 k( 101) = ( -0.2740477 0.2740477 0.2740477), wk = 0.0028818 k( 102) = ( -0.2673636 0.2673636 0.2673636), wk = 0.0028818 k( 103) = ( -0.2606795 0.2606795 0.2606795), wk = 0.0028818 k( 104) = ( -0.2539955 0.2539955 0.2539955), wk = 0.0028818 k( 105) = ( -0.2473114 0.2473114 0.2473114), wk = 0.0028818 k( 106) = ( -0.2406273 0.2406273 0.2406273), wk = 0.0028818 k( 107) = ( -0.2339432 0.2339432 0.2339432), wk = 0.0028818 k( 108) = ( -0.2272591 0.2272591 0.2272591), wk = 0.0028818 k( 109) = ( -0.2205750 0.2205750 0.2205750), wk = 0.0028818 k( 110) = ( -0.2138909 0.2138909 0.2138909), wk = 0.0028818 k( 111) = ( -0.2072068 0.2072068 0.2072068), wk = 0.0028818 k( 112) = ( -0.2005227 0.2005227 0.2005227), wk = 0.0028818 k( 113) = ( -0.1938386 0.1938386 0.1938386), wk = 0.0028818 k( 114) = ( -0.1871546 0.1871546 0.1871546), wk = 0.0028818 k( 115) = ( -0.1804705 0.1804704 0.1804705), wk = 0.0028818 k( 116) = ( -0.1737864 0.1737864 0.1737864), wk = 0.0028818 k( 117) = ( -0.1671023 0.1671023 0.1671023), wk = 0.0028818 k( 118) = ( -0.1604182 0.1604182 0.1604182), wk = 0.0028818 k( 119) = ( -0.1537341 0.1537341 0.1537341), wk = 0.0028818 k( 120) = ( -0.1470500 0.1470500 0.1470500), wk = 0.0028818 k( 121) = ( -0.1403659 0.1403659 0.1403659), wk = 0.0028818 k( 122) = ( -0.1336818 0.1336818 0.1336818), wk = 0.0028818 k( 123) = ( -0.1269977 0.1269977 0.1269977), wk = 0.0028818 k( 124) = ( -0.1203136 0.1203136 0.1203136), wk = 0.0028818 k( 125) = ( -0.1136295 0.1136295 0.1136296), wk = 0.0028818 k( 126) = ( -0.1069454 0.1069455 0.1069454), wk = 0.0028818 k( 127) = ( -0.1002614 0.1002614 0.1002614), wk = 0.0028818 k( 128) = ( -0.0935773 0.0935773 0.0935773), wk = 0.0028818 k( 129) = ( -0.0868932 0.0868932 0.0868932), wk = 0.0028818 k( 130) = ( -0.0802091 0.0802091 0.0802091), wk = 0.0028818 k( 131) = ( -0.0735250 0.0735250 0.0735250), wk = 0.0028818 k( 132) = ( -0.0668409 0.0668409 0.0668409), wk = 0.0028818 k( 133) = ( -0.0601568 0.0601568 0.0601568), wk = 0.0028818 k( 134) = ( -0.0534727 0.0534727 0.0534727), wk = 0.0028818 k( 135) = ( -0.0467886 0.0467886 0.0467886), wk = 0.0028818 k( 136) = ( -0.0401046 0.0401046 0.0401046), wk = 0.0028818 k( 137) = ( -0.0334204 0.0334204 0.0334204), wk = 0.0028818 k( 138) = ( -0.0267364 0.0267364 0.0267364), wk = 0.0028818 k( 139) = ( -0.0200523 0.0200523 0.0200523), wk = 0.0028818 k( 140) = ( -0.0133682 0.0133682 0.0133682), wk = 0.0028818 k( 141) = ( -0.0066841 0.0066841 0.0066841), wk = 0.0028818 k( 142) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0028818 k( 144) = ( 0.0156250 0.0156250 -0.0156250), wk = 0.0028818 k( 145) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0028818 k( 146) = ( 0.0468750 0.0468750 -0.0468750), wk = 0.0028818 k( 147) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0028818 k( 148) = ( 0.0781250 0.0781250 -0.0781250), wk = 0.0028818 k( 149) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0028818 k( 150) = ( 0.1093750 0.1093750 -0.1093750), wk = 0.0028818 k( 151) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0028818 k( 152) = ( 0.1406250 0.1406250 -0.1406250), wk = 0.0028818 k( 153) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0028818 k( 154) = ( 0.1718750 0.1718750 -0.1718750), wk = 0.0028818 k( 155) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0028818 k( 156) = ( 0.2031250 0.2031250 -0.2031250), wk = 0.0028818 k( 157) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0028818 k( 158) = ( 0.2343750 0.2343750 -0.2343750), wk = 0.0028818 k( 159) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0028818 k( 160) = ( 0.2656250 0.2656250 -0.2656250), wk = 0.0028818 k( 161) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0028818 k( 162) = ( 0.2968750 0.2968750 -0.2968750), wk = 0.0028818 k( 163) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0028818 k( 164) = ( 0.3281250 0.3281250 -0.3281250), wk = 0.0028818 k( 165) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0028818 k( 166) = ( 0.3593750 0.3593750 -0.3593750), wk = 0.0028818 k( 167) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0028818 k( 168) = ( 0.3906250 0.3906250 -0.3906250), wk = 0.0028818 k( 169) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0028818 k( 170) = ( 0.4218750 0.4218750 -0.4218750), wk = 0.0028818 k( 171) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0028818 k( 172) = ( 0.4531250 0.4531250 -0.4531250), wk = 0.0028818 k( 173) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0028818 k( 174) = ( 0.4843750 0.4843750 -0.4843750), wk = 0.0028818 k( 175) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028818 k( 176) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028818 k( 177) = ( 0.4933581 0.5066419 -0.4933581), wk = 0.0028818 k( 178) = ( 0.4867161 0.5132839 -0.4867161), wk = 0.0028818 k( 179) = ( 0.4800742 0.5199258 -0.4800742), wk = 0.0028818 k( 180) = ( 0.4734323 0.5265677 -0.4734323), wk = 0.0028818 k( 181) = ( 0.4667903 0.5332097 -0.4667903), wk = 0.0028818 k( 182) = ( 0.4601484 0.5398516 -0.4601484), wk = 0.0028818 k( 183) = ( 0.4535065 0.5464935 -0.4535065), wk = 0.0028818 k( 184) = ( 0.4468645 0.5531355 -0.4468645), wk = 0.0028818 k( 185) = ( 0.4402226 0.5597774 -0.4402226), wk = 0.0028818 k( 186) = ( 0.4335807 0.5664193 -0.4335807), wk = 0.0028818 k( 187) = ( 0.4269387 0.5730613 -0.4269387), wk = 0.0028818 k( 188) = ( 0.4202968 0.5797032 -0.4202968), wk = 0.0028818 k( 189) = ( 0.4136548 0.5863452 -0.4136548), wk = 0.0028818 k( 190) = ( 0.4070129 0.5929871 -0.4070129), wk = 0.0028818 k( 191) = ( 0.4003710 0.5996290 -0.4003710), wk = 0.0028818 k( 192) = ( 0.3937290 0.6062710 -0.3937290), wk = 0.0028818 k( 193) = ( 0.3870871 0.6129129 -0.3870871), wk = 0.0028818 k( 194) = ( 0.3804452 0.6195548 -0.3804452), wk = 0.0028818 k( 195) = ( 0.3738032 0.6261968 -0.3738032), wk = 0.0028818 k( 196) = ( 0.3671613 0.6328387 -0.3671613), wk = 0.0028818 k( 197) = ( 0.3605194 0.6394806 -0.3605194), wk = 0.0028818 k( 198) = ( 0.3538774 0.6461226 -0.3538774), wk = 0.0028818 k( 199) = ( 0.3472355 0.6527645 -0.3472355), wk = 0.0028818 k( 200) = ( 0.3405936 0.6594064 -0.3405936), wk = 0.0028818 k( 201) = ( 0.3339516 0.6660484 -0.3339516), wk = 0.0028818 k( 202) = ( 0.3273097 0.6726903 -0.3273097), wk = 0.0028818 k( 203) = ( 0.3206677 0.6793323 -0.3206677), wk = 0.0028818 k( 204) = ( 0.3140258 0.6859742 -0.3140258), wk = 0.0028818 k( 205) = ( 0.3073839 0.6926161 -0.3073839), wk = 0.0028818 k( 206) = ( 0.3007419 0.6992581 -0.3007419), wk = 0.0028818 k( 207) = ( 0.2941000 0.7059000 -0.2941000), wk = 0.0028818 k( 208) = ( 0.2941000 0.7059000 -0.2941000), wk = 0.0028818 k( 209) = ( 0.2777611 0.6944611 -0.2777611), wk = 0.0028818 k( 210) = ( 0.2614222 0.6830222 -0.2614222), wk = 0.0028818 k( 211) = ( 0.2450833 0.6715833 -0.2450833), wk = 0.0028818 k( 212) = ( 0.2287444 0.6601444 -0.2287444), wk = 0.0028818 k( 213) = ( 0.2124056 0.6487056 -0.2124056), wk = 0.0028818 k( 214) = ( 0.1960667 0.6372667 -0.1960667), wk = 0.0028818 k( 215) = ( 0.1797278 0.6258278 -0.1797278), wk = 0.0028818 k( 216) = ( 0.1633889 0.6143889 -0.1633889), wk = 0.0028818 k( 217) = ( 0.1470500 0.6029500 -0.1470500), wk = 0.0028818 k( 218) = ( 0.1307111 0.5915111 -0.1307111), wk = 0.0028818 k( 219) = ( 0.1143722 0.5800722 -0.1143722), wk = 0.0028818 k( 220) = ( 0.0980333 0.5686333 -0.0980333), wk = 0.0028818 k( 221) = ( 0.0816944 0.5571944 -0.0816944), wk = 0.0028818 k( 222) = ( 0.0653556 0.5457556 -0.0653556), wk = 0.0028818 k( 223) = ( 0.0490167 0.5343167 -0.0490167), wk = 0.0028818 k( 224) = ( 0.0326778 0.5228778 -0.0326778), wk = 0.0028818 k( 225) = ( 0.0163389 0.5114389 -0.0163389), wk = 0.0028818 k( 226) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028818 k( 227) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0028818 k( 228) = ( 0.0065790 0.4934211 0.0065789), wk = 0.0028818 k( 229) = ( 0.0131579 0.4868421 0.0131579), wk = 0.0028818 k( 230) = ( 0.0197368 0.4802632 0.0197368), wk = 0.0028818 k( 231) = ( 0.0263158 0.4736842 0.0263158), wk = 0.0028818 k( 232) = ( 0.0328947 0.4671053 0.0328947), wk = 0.0028818 k( 233) = ( 0.0394737 0.4605263 0.0394737), wk = 0.0028818 k( 234) = ( 0.0460526 0.4539474 0.0460526), wk = 0.0028818 k( 235) = ( 0.0526316 0.4473684 0.0526316), wk = 0.0028818 k( 236) = ( 0.0592105 0.4407895 0.0592105), wk = 0.0028818 k( 237) = ( 0.0657895 0.4342105 0.0657895), wk = 0.0028818 k( 238) = ( 0.0723684 0.4276316 0.0723684), wk = 0.0028818 k( 239) = ( 0.0789474 0.4210526 0.0789474), wk = 0.0028818 k( 240) = ( 0.0855263 0.4144737 0.0855263), wk = 0.0028818 k( 241) = ( 0.0921053 0.4078947 0.0921053), wk = 0.0028818 k( 242) = ( 0.0986842 0.4013158 0.0986842), wk = 0.0028818 k( 243) = ( 0.1052632 0.3947368 0.1052632), wk = 0.0028818 k( 244) = ( 0.1118421 0.3881579 0.1118421), wk = 0.0028818 k( 245) = ( 0.1184210 0.3815789 0.1184211), wk = 0.0028818 k( 246) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0028818 k( 247) = ( 0.1315790 0.3684211 0.1315789), wk = 0.0028818 k( 248) = ( 0.1381579 0.3618421 0.1381579), wk = 0.0028818 k( 249) = ( 0.1447368 0.3552632 0.1447368), wk = 0.0028818 k( 250) = ( 0.1513158 0.3486842 0.1513158), wk = 0.0028818 k( 251) = ( 0.1578947 0.3421053 0.1578947), wk = 0.0028818 k( 252) = ( 0.1644737 0.3355263 0.1644737), wk = 0.0028818 k( 253) = ( 0.1710526 0.3289474 0.1710526), wk = 0.0028818 k( 254) = ( 0.1776316 0.3223684 0.1776316), wk = 0.0028818 k( 255) = ( 0.1842105 0.3157895 0.1842105), wk = 0.0028818 k( 256) = ( 0.1907895 0.3092105 0.1907895), wk = 0.0028818 k( 257) = ( 0.1973684 0.3026316 0.1973684), wk = 0.0028818 k( 258) = ( 0.2039474 0.2960526 0.2039474), wk = 0.0028818 k( 259) = ( 0.2105263 0.2894737 0.2105263), wk = 0.0028818 k( 260) = ( 0.2171053 0.2828947 0.2171053), wk = 0.0028818 k( 261) = ( 0.2236842 0.2763158 0.2236842), wk = 0.0028818 k( 262) = ( 0.2302632 0.2697368 0.2302632), wk = 0.0028818 k( 263) = ( 0.2368421 0.2631579 0.2368421), wk = 0.0028818 k( 264) = ( 0.2434210 0.2565789 0.2434210), wk = 0.0028818 k( 265) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028818 k( 266) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028818 k( 267) = ( 0.2631579 0.2631579 0.2322000), wk = 0.0028818 k( 268) = ( 0.2763158 0.2763158 0.2144000), wk = 0.0028818 k( 269) = ( 0.2894737 0.2894737 0.1966000), wk = 0.0028818 k( 270) = ( 0.3026316 0.3026316 0.1788000), wk = 0.0028818 k( 271) = ( 0.3157895 0.3157895 0.1610000), wk = 0.0028818 k( 272) = ( 0.3289474 0.3289474 0.1432000), wk = 0.0028818 k( 273) = ( 0.3421053 0.3421053 0.1254000), wk = 0.0028818 k( 274) = ( 0.3552632 0.3552632 0.1076000), wk = 0.0028818 k( 275) = ( 0.3684211 0.3684211 0.0898000), wk = 0.0028818 k( 276) = ( 0.3815789 0.3815789 0.0720000), wk = 0.0028818 k( 277) = ( 0.3947368 0.3947368 0.0542000), wk = 0.0028818 k( 278) = ( 0.4078947 0.4078947 0.0364000), wk = 0.0028818 k( 279) = ( 0.4210526 0.4210526 0.0186000), wk = 0.0028818 k( 280) = ( 0.4342105 0.4342105 0.0008000), wk = 0.0028818 k( 281) = ( 0.4473684 0.4473684 -0.0170000), wk = 0.0028818 k( 282) = ( 0.4605263 0.4605263 -0.0348000), wk = 0.0028818 k( 283) = ( 0.4736842 0.4736842 -0.0526000), wk = 0.0028818 k( 284) = ( 0.4868421 0.4868421 -0.0704000), wk = 0.0028818 k( 285) = ( 0.5000000 0.5000000 -0.0882000), wk = 0.0028818 k( 286) = ( 0.5000000 0.5000000 -0.0882000), wk = 0.0028818 k( 287) = ( 0.5000000 0.5000000 -0.0975591), wk = 0.0028818 k( 288) = ( 0.5000000 0.5000000 -0.1069182), wk = 0.0028818 k( 289) = ( 0.5000000 0.5000000 -0.1162773), wk = 0.0028818 k( 290) = ( 0.5000000 0.5000000 -0.1256364), wk = 0.0028818 k( 291) = ( 0.5000000 0.5000000 -0.1349955), wk = 0.0028818 k( 292) = ( 0.5000000 0.5000000 -0.1443546), wk = 0.0028818 k( 293) = ( 0.5000000 0.5000000 -0.1537136), wk = 0.0028818 k( 294) = ( 0.5000000 0.5000000 -0.1630727), wk = 0.0028818 k( 295) = ( 0.5000000 0.5000000 -0.1724318), wk = 0.0028818 k( 296) = ( 0.5000000 0.5000000 -0.1817909), wk = 0.0028818 k( 297) = ( 0.5000000 0.5000000 -0.1911500), wk = 0.0028818 k( 298) = ( 0.5000000 0.5000000 -0.2005091), wk = 0.0028818 k( 299) = ( 0.5000000 0.5000000 -0.2098682), wk = 0.0028818 k( 300) = ( 0.5000000 0.5000000 -0.2192273), wk = 0.0028818 k( 301) = ( 0.5000000 0.5000000 -0.2285864), wk = 0.0028818 k( 302) = ( 0.5000000 0.5000000 -0.2379455), wk = 0.0028818 k( 303) = ( 0.5000000 0.5000000 -0.2473046), wk = 0.0028818 k( 304) = ( 0.5000000 0.5000000 -0.2566636), wk = 0.0028818 k( 305) = ( 0.5000000 0.5000000 -0.2660227), wk = 0.0028818 k( 306) = ( 0.5000000 0.5000000 -0.2753818), wk = 0.0028818 k( 307) = ( 0.5000000 0.5000000 -0.2847409), wk = 0.0028818 k( 308) = ( 0.5000000 0.5000000 -0.2941000), wk = 0.0028818 k( 309) = ( 0.5000000 0.5000000 -0.3034591), wk = 0.0028818 k( 310) = ( 0.5000000 0.5000000 -0.3128182), wk = 0.0028818 k( 311) = ( 0.5000000 0.5000000 -0.3221773), wk = 0.0028818 k( 312) = ( 0.5000000 0.5000000 -0.3315364), wk = 0.0028818 k( 313) = ( 0.5000000 0.5000000 -0.3408955), wk = 0.0028818 k( 314) = ( 0.5000000 0.5000000 -0.3502546), wk = 0.0028818 k( 315) = ( 0.5000000 0.5000000 -0.3596136), wk = 0.0028818 k( 316) = ( 0.5000000 0.5000000 -0.3689727), wk = 0.0028818 k( 317) = ( 0.5000000 0.5000000 -0.3783318), wk = 0.0028818 k( 318) = ( 0.5000000 0.5000000 -0.3876909), wk = 0.0028818 k( 319) = ( 0.5000000 0.5000000 -0.3970500), wk = 0.0028818 k( 320) = ( 0.5000000 0.5000000 -0.4064091), wk = 0.0028818 k( 321) = ( 0.5000000 0.5000000 -0.4157682), wk = 0.0028818 k( 322) = ( 0.5000000 0.5000000 -0.4251273), wk = 0.0028818 k( 323) = ( 0.5000000 0.5000000 -0.4344864), wk = 0.0028818 k( 324) = ( 0.5000000 0.5000000 -0.4438455), wk = 0.0028818 k( 325) = ( 0.5000000 0.5000000 -0.4532046), wk = 0.0028818 k( 326) = ( 0.5000000 0.5000000 -0.4625636), wk = 0.0028818 k( 327) = ( 0.5000000 0.5000000 -0.4719227), wk = 0.0028818 k( 328) = ( 0.5000000 0.5000000 -0.4812818), wk = 0.0028818 k( 329) = ( 0.5000000 0.5000000 -0.4906409), wk = 0.0028818 k( 330) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0028818 k( 331) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0028818 k( 332) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0028818 k( 333) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0028818 k( 334) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0028818 k( 335) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0028818 k( 336) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0028818 k( 337) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0028818 k( 338) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0028818 k( 339) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0028818 k( 340) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0028818 k( 341) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0028818 k( 342) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0028818 k( 343) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0028818 k( 344) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0028818 k( 345) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0028818 k( 346) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0028818 k( 347) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0028818 Dense grid: 42969 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 25065 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 172, 48) NL pseudopotentials 0.22 Mb ( 86, 170) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1193) G-vector shells 0.00 Mb ( 545) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.50 Mb ( 172, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.25 Mb ( 170, 2, 48) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./SrxSiCux2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.9 secs Computing kpt #: 4 total cpu time spent up to now is 5.3 secs Computing kpt #: 5 total cpu time spent up to now is 5.7 secs Computing kpt #: 6 total cpu time spent up to now is 6.1 secs Computing kpt #: 7 total cpu time spent up to now is 6.5 secs Computing kpt #: 8 total cpu time spent up to now is 6.9 secs Computing kpt #: 9 total cpu time spent up to now is 7.3 secs Computing kpt #: 10 total cpu time spent up to now is 7.7 secs Computing kpt #: 11 total cpu time spent up to now is 8.1 secs Computing kpt #: 12 total cpu time spent up to now is 8.5 secs Computing kpt #: 13 total cpu time spent up to now is 9.0 secs Computing kpt #: 14 total cpu time spent up to now is 9.4 secs Computing kpt #: 15 total cpu time spent up to now is 9.8 secs Computing kpt #: 16 total cpu time spent up to now is 10.2 secs Computing kpt #: 17 total cpu time spent up to now is 10.7 secs Computing kpt #: 18 total cpu time spent up to now is 11.1 secs Computing kpt #: 19 total cpu time spent up to now is 11.5 secs Computing kpt #: 20 total cpu time spent up to now is 11.9 secs Computing kpt #: 21 total cpu time spent up to now is 12.4 secs Computing kpt #: 22 total cpu time spent up to now is 13.0 secs Computing kpt #: 23 total cpu time spent up to now is 13.5 secs Computing kpt #: 24 total cpu time spent up to now is 13.9 secs Computing kpt #: 25 total cpu time spent up to now is 14.4 secs Computing kpt #: 26 total cpu time spent up to now is 14.8 secs Computing kpt #: 27 total cpu time spent up to now is 15.3 secs Computing kpt #: 28 total cpu time spent up to now is 15.8 secs Computing kpt #: 29 total cpu time spent up to now is 16.3 secs Computing kpt #: 30 total cpu time spent up to now is 16.8 secs Computing kpt #: 31 total cpu time spent up to now is 17.2 secs Computing kpt #: 32 total cpu time spent up to now is 17.7 secs Computing kpt #: 33 total cpu time spent up to now is 18.1 secs Computing kpt #: 34 total cpu time spent up to now is 18.5 secs Computing kpt #: 35 total cpu time spent up to now is 19.0 secs Computing kpt #: 36 total cpu time spent up to now is 19.4 secs Computing kpt #: 37 total cpu time spent up to now is 19.8 secs Computing kpt #: 38 total cpu time spent up to now is 20.2 secs Computing kpt #: 39 total cpu time spent up to now is 20.6 secs Computing kpt #: 40 total cpu time spent up to now is 21.1 secs Computing kpt #: 41 total cpu time spent up to now is 21.5 secs Computing kpt #: 42 total cpu time spent up to now is 21.9 secs Computing kpt #: 43 total cpu time spent up to now is 22.3 secs Computing kpt #: 44 total cpu time spent up to now is 22.7 secs Computing kpt #: 45 total cpu time spent up to now is 23.1 secs Computing kpt #: 46 total cpu time spent up to now is 23.5 secs Computing kpt #: 47 total cpu time spent up to now is 23.9 secs Computing kpt #: 48 total cpu time spent up to now is 24.3 secs Computing kpt #: 49 total cpu time spent up to now is 24.7 secs Computing kpt #: 50 total cpu time spent up to now is 25.1 secs Computing kpt #: 51 total cpu time spent up to now is 25.5 secs Computing kpt #: 52 total cpu time spent up to now is 25.9 secs Computing kpt #: 53 total cpu time spent up to now is 26.3 secs Computing kpt #: 54 total cpu time spent up to now is 26.7 secs Computing kpt #: 55 total cpu time spent up to now is 27.1 secs Computing kpt #: 56 total cpu time spent up to now is 27.5 secs Computing kpt #: 57 total cpu time spent up to now is 27.9 secs Computing kpt #: 58 total cpu time spent up to now is 28.3 secs Computing kpt #: 59 total cpu time spent up to now is 28.7 secs Computing kpt #: 60 total cpu time spent up to now is 29.1 secs Computing kpt #: 61 total cpu time spent up to now is 29.5 secs Computing kpt #: 62 total cpu time spent up to now is 29.9 secs Computing kpt #: 63 total cpu time spent up to now is 30.4 secs Computing kpt #: 64 total cpu time spent up to now is 30.8 secs Computing kpt #: 65 total cpu time spent up to now is 31.2 secs Computing kpt #: 66 total cpu time spent up to now is 31.6 secs Computing kpt #: 67 total cpu time spent up to now is 32.0 secs Computing kpt #: 68 total cpu time spent up to now is 32.5 secs Computing kpt #: 69 total cpu time spent up to now is 32.9 secs Computing kpt #: 70 total cpu time spent up to now is 33.3 secs Computing kpt #: 71 total cpu time spent up to now is 33.7 secs Computing kpt #: 72 total cpu time spent up to now is 34.2 secs Computing kpt #: 73 total cpu time spent up to now is 34.6 secs Computing kpt #: 74 total cpu time spent up to now is 35.0 secs Computing kpt #: 75 total cpu time spent up to now is 35.4 secs Computing kpt #: 76 total cpu time spent up to now is 35.8 secs Computing kpt #: 77 total cpu time spent up to now is 36.3 secs Computing kpt #: 78 total cpu time spent up to now is 36.7 secs Computing kpt #: 79 total cpu time spent up to now is 37.1 secs Computing kpt #: 80 total cpu time spent up to now is 37.5 secs Computing kpt #: 81 total cpu time spent up to now is 37.9 secs Computing kpt #: 82 total cpu time spent up to now is 38.3 secs Computing kpt #: 83 total cpu time spent up to now is 38.7 secs Computing kpt #: 84 total cpu time spent up to now is 39.2 secs Computing kpt #: 85 total cpu time spent up to now is 39.6 secs Computing kpt #: 86 total cpu time spent up to now is 40.0 secs Computing kpt #: 87 total cpu time spent up to now is 40.5 secs Computing kpt #: 88 total cpu time spent up to now is 40.9 secs Computing kpt #: 89 total cpu time spent up to now is 41.4 secs Computing kpt #: 90 total cpu time spent up to now is 41.8 secs Computing kpt #: 91 total cpu time spent up to now is 42.2 secs Computing kpt #: 92 total cpu time spent up to now is 42.7 secs Computing kpt #: 93 total cpu time spent up to now is 43.1 secs Computing kpt #: 94 total cpu time spent up to now is 43.6 secs Computing kpt #: 95 total cpu time spent up to now is 44.0 secs Computing kpt #: 96 total cpu time spent up to now is 44.5 secs Computing kpt #: 97 total cpu time spent up to now is 44.9 secs Computing kpt #: 98 total cpu time spent up to now is 45.4 secs Computing kpt #: 99 total cpu time spent up to now is 45.8 secs Computing kpt #: 100 total cpu time spent up to now is 46.3 secs Computing kpt #: 101 total cpu time spent up to now is 46.7 secs Computing kpt #: 102 total cpu time spent up to now is 47.2 secs Computing kpt #: 103 total cpu time spent up to now is 47.6 secs Computing kpt #: 104 total cpu time spent up to now is 48.0 secs Computing kpt #: 105 total cpu time spent up to now is 48.5 secs Computing kpt #: 106 total cpu time spent up to now is 48.9 secs Computing kpt #: 107 total cpu time spent up to now is 49.4 secs Computing kpt #: 108 total cpu time spent up to now is 49.8 secs Computing kpt #: 109 total cpu time spent up to now is 50.2 secs Computing kpt #: 110 total cpu time spent up to now is 50.7 secs Computing kpt #: 111 total cpu time spent up to now is 51.1 secs Computing kpt #: 112 total cpu time spent up to now is 51.5 secs Computing kpt #: 113 total cpu time spent up to now is 52.0 secs Computing kpt #: 114 total cpu time spent up to now is 52.4 secs Computing kpt #: 115 total cpu time spent up to now is 52.8 secs Computing kpt #: 116 total cpu time spent up to now is 53.3 secs Computing kpt #: 117 total cpu time spent up to now is 53.7 secs Computing kpt #: 118 total cpu time spent up to now is 54.2 secs Computing kpt #: 119 total cpu time spent up to now is 54.6 secs Computing kpt #: 120 total cpu time spent up to now is 55.2 secs Computing kpt #: 121 total cpu time spent up to now is 55.7 secs Computing kpt #: 122 total cpu time spent up to now is 56.2 secs Computing kpt #: 123 total cpu time spent up to now is 56.6 secs Computing kpt #: 124 total cpu time spent up to now is 57.0 secs Computing kpt #: 125 total cpu time spent up to now is 57.4 secs Computing kpt #: 126 total cpu time spent up to now is 57.8 secs Computing kpt #: 127 total cpu time spent up to now is 58.2 secs Computing kpt #: 128 total cpu time spent up to now is 58.6 secs Computing kpt #: 129 total cpu time spent up to now is 59.1 secs Computing kpt #: 130 total cpu time spent up to now is 59.5 secs Computing kpt #: 131 total cpu time spent up to now is 59.9 secs Computing kpt #: 132 total cpu time spent up to now is 60.3 secs Computing kpt #: 133 total cpu time spent up to now is 60.6 secs Computing kpt #: 134 total cpu time spent up to now is 61.0 secs Computing kpt #: 135 total cpu time spent up to now is 61.4 secs Computing kpt #: 136 total cpu time spent up to now is 61.8 secs Computing kpt #: 137 total cpu time spent up to now is 62.2 secs Computing kpt #: 138 total cpu time spent up to now is 62.6 secs Computing kpt #: 139 total cpu time spent up to now is 63.1 secs Computing kpt #: 140 total cpu time spent up to now is 63.5 secs Computing kpt #: 141 total cpu time spent up to now is 63.9 secs Computing kpt #: 142 total cpu time spent up to now is 64.3 secs Computing kpt #: 143 total cpu time spent up to now is 64.7 secs Computing kpt #: 144 total cpu time spent up to now is 65.1 secs Computing kpt #: 145 total cpu time spent up to now is 65.5 secs Computing kpt #: 146 total cpu time spent up to now is 65.9 secs Computing kpt #: 147 total cpu time spent up to now is 66.3 secs Computing kpt #: 148 total cpu time spent up to now is 66.7 secs Computing kpt #: 149 total cpu time spent up to now is 67.1 secs Computing kpt #: 150 total cpu time spent up to now is 67.5 secs Computing kpt #: 151 total cpu time spent up to now is 67.9 secs Computing kpt #: 152 total cpu time spent up to now is 68.3 secs Computing kpt #: 153 total cpu time spent up to now is 68.8 secs Computing kpt #: 154 total cpu time spent up to now is 69.2 secs Computing kpt #: 155 total cpu time spent up to now is 69.6 secs Computing kpt #: 156 total cpu time spent up to now is 70.0 secs Computing kpt #: 157 total cpu time spent up to now is 70.4 secs Computing kpt #: 158 total cpu time spent up to now is 70.9 secs Computing kpt #: 159 total cpu time spent up to now is 71.3 secs Computing kpt #: 160 total cpu time spent up to now is 71.7 secs Computing kpt #: 161 total cpu time spent up to now is 72.2 secs Computing kpt #: 162 total cpu time spent up to now is 72.6 secs Computing kpt #: 163 total cpu time spent up to now is 73.1 secs Computing kpt #: 164 total cpu time spent up to now is 73.6 secs Computing kpt #: 165 total cpu time spent up to now is 74.1 secs Computing kpt #: 166 total cpu time spent up to now is 74.6 secs Computing kpt #: 167 total cpu time spent up to now is 75.0 secs Computing kpt #: 168 total cpu time spent up to now is 75.4 secs Computing kpt #: 169 total cpu time spent up to now is 75.9 secs Computing kpt #: 170 total cpu time spent up to now is 76.3 secs Computing kpt #: 171 total cpu time spent up to now is 76.7 secs Computing kpt #: 172 total cpu time spent up to now is 77.2 secs Computing kpt #: 173 total cpu time spent up to now is 77.6 secs Computing kpt #: 174 total cpu time spent up to now is 78.0 secs Computing kpt #: 175 total cpu time spent up to now is 78.4 secs Computing kpt #: 176 total cpu time spent up to now is 78.9 secs Computing kpt #: 177 total cpu time spent up to now is 79.3 secs Computing kpt #: 178 total cpu time spent up to now is 79.7 secs Computing kpt #: 179 total cpu time spent up to now is 80.1 secs Computing kpt #: 180 total cpu time spent up to now is 80.6 secs Computing kpt #: 181 total cpu time spent up to now is 81.0 secs Computing kpt #: 182 total cpu time spent up to now is 81.5 secs Computing kpt #: 183 total cpu time spent up to now is 81.9 secs Computing kpt #: 184 total cpu time spent up to now is 82.4 secs Computing kpt #: 185 total cpu time spent up to now is 82.8 secs Computing kpt #: 186 total cpu time spent up to now is 83.3 secs Computing kpt #: 187 total cpu time spent up to now is 83.7 secs Computing kpt #: 188 total cpu time spent up to now is 84.2 secs Computing kpt #: 189 total cpu time spent up to now is 84.7 secs Computing kpt #: 190 total cpu time spent up to now is 85.1 secs Computing kpt #: 191 total cpu time spent up to now is 85.6 secs Computing kpt #: 192 total cpu time spent up to now is 86.1 secs Computing kpt #: 193 total cpu time spent up to now is 86.6 secs Computing kpt #: 194 total cpu time spent up to now is 87.1 secs Computing kpt #: 195 total cpu time spent up to now is 87.6 secs Computing kpt #: 196 total cpu time spent up to now is 88.1 secs Computing kpt #: 197 total cpu time spent up to now is 88.6 secs Computing kpt #: 198 total cpu time spent up to now is 89.1 secs Computing kpt #: 199 total cpu time spent up to now is 89.6 secs Computing kpt #: 200 total cpu time spent up to now is 90.0 secs Computing kpt #: 201 total cpu time spent up to now is 90.5 secs Computing kpt #: 202 total cpu time spent up to now is 90.9 secs Computing kpt #: 203 total cpu time spent up to now is 91.4 secs Computing kpt #: 204 total cpu time spent up to now is 91.8 secs Computing kpt #: 205 total cpu time spent up to now is 92.3 secs Computing kpt #: 206 total cpu time spent up to now is 92.8 secs Computing kpt #: 207 total cpu time spent up to now is 93.2 secs Computing kpt #: 208 total cpu time spent up to now is 93.7 secs Computing kpt #: 209 total cpu time spent up to now is 94.1 secs Computing kpt #: 210 total cpu time spent up to now is 94.5 secs Computing kpt #: 211 total cpu time spent up to now is 95.0 secs Computing kpt #: 212 total cpu time spent up to now is 95.4 secs Computing kpt #: 213 total cpu time spent up to now is 95.9 secs Computing kpt #: 214 total cpu time spent up to now is 96.3 secs Computing kpt #: 215 total cpu time spent up to now is 96.7 secs Computing kpt #: 216 total cpu time spent up to now is 97.1 secs Computing kpt #: 217 total cpu time spent up to now is 97.6 secs Computing kpt #: 218 total cpu time spent up to now is 98.0 secs Computing kpt #: 219 total cpu time spent up to now is 98.4 secs Computing kpt #: 220 total cpu time spent up to now is 98.9 secs Computing kpt #: 221 total cpu time spent up to now is 99.3 secs Computing kpt #: 222 total cpu time spent up to now is 99.8 secs Computing kpt #: 223 total cpu time spent up to now is 100.4 secs Computing kpt #: 224 total cpu time spent up to now is 101.0 secs Computing kpt #: 225 total cpu time spent up to now is 101.4 secs Computing kpt #: 226 total cpu time spent up to now is 101.9 secs Computing kpt #: 227 total cpu time spent up to now is 102.3 secs Computing kpt #: 228 total cpu time spent up to now is 102.7 secs Computing kpt #: 229 total cpu time spent up to now is 103.2 secs Computing kpt #: 230 total cpu time spent up to now is 103.6 secs Computing kpt #: 231 total cpu time spent up to now is 104.1 secs Computing kpt #: 232 total cpu time spent up to now is 104.5 secs Computing kpt #: 233 total cpu time spent up to now is 105.0 secs Computing kpt #: 234 total cpu time spent up to now is 105.4 secs Computing kpt #: 235 total cpu time spent up to now is 105.9 secs Computing kpt #: 236 total cpu time spent up to now is 106.4 secs Computing kpt #: 237 total cpu time spent up to now is 106.8 secs Computing kpt #: 238 total cpu time spent up to now is 107.3 secs Computing kpt #: 239 total cpu time spent up to now is 107.7 secs Computing kpt #: 240 total cpu time spent up to now is 108.2 secs Computing kpt #: 241 total cpu time spent up to now is 108.7 secs Computing kpt #: 242 total cpu time spent up to now is 109.1 secs Computing kpt #: 243 total cpu time spent up to now is 109.6 secs Computing kpt #: 244 total cpu time spent up to now is 110.0 secs Computing kpt #: 245 total cpu time spent up to now is 110.5 secs Computing kpt #: 246 total cpu time spent up to now is 110.9 secs Computing kpt #: 247 total cpu time spent up to now is 111.3 secs Computing kpt #: 248 total cpu time spent up to now is 111.8 secs Computing kpt #: 249 total cpu time spent up to now is 112.2 secs Computing kpt #: 250 total cpu time spent up to now is 112.6 secs Computing kpt #: 251 total cpu time spent up to now is 113.0 secs Computing kpt #: 252 total cpu time spent up to now is 113.4 secs Computing kpt #: 253 total cpu time spent up to now is 113.9 secs Computing kpt #: 254 total cpu time spent up to now is 114.3 secs Computing kpt #: 255 total cpu time spent up to now is 114.7 secs Computing kpt #: 256 total cpu time spent up to now is 115.1 secs Computing kpt #: 257 total cpu time spent up to now is 115.6 secs Computing kpt #: 258 total cpu time spent up to now is 116.0 secs Computing kpt #: 259 total cpu time spent up to now is 116.4 secs Computing kpt #: 260 total cpu time spent up to now is 116.9 secs Computing kpt #: 261 total cpu time spent up to now is 117.3 secs Computing kpt #: 262 total cpu time spent up to now is 117.8 secs Computing kpt #: 263 total cpu time spent up to now is 118.2 secs Computing kpt #: 264 total cpu time spent up to now is 118.7 secs Computing kpt #: 265 total cpu time spent up to now is 119.3 secs Computing kpt #: 266 total cpu time spent up to now is 119.8 secs Computing kpt #: 267 total cpu time spent up to now is 120.3 secs Computing kpt #: 268 total cpu time spent up to now is 120.8 secs Computing kpt #: 269 total cpu time spent up to now is 121.3 secs Computing kpt #: 270 total cpu time spent up to now is 121.9 secs Computing kpt #: 271 total cpu time spent up to now is 122.4 secs Computing kpt #: 272 total cpu time spent up to now is 122.8 secs Computing kpt #: 273 total cpu time spent up to now is 123.3 secs Computing kpt #: 274 total cpu time spent up to now is 123.7 secs Computing kpt #: 275 total cpu time spent up to now is 124.2 secs Computing kpt #: 276 total cpu time spent up to now is 124.6 secs Computing kpt #: 277 total cpu time spent up to now is 125.0 secs Computing kpt #: 278 total cpu time spent up to now is 125.4 secs Computing kpt #: 279 total cpu time spent up to now is 125.8 secs Computing kpt #: 280 total cpu time spent up to now is 126.2 secs Computing kpt #: 281 total cpu time spent up to now is 126.7 secs Computing kpt #: 282 total cpu time spent up to now is 127.1 secs Computing kpt #: 283 total cpu time spent up to now is 127.5 secs Computing kpt #: 284 total cpu time spent up to now is 127.9 secs Computing kpt #: 285 total cpu time spent up to now is 128.3 secs Computing kpt #: 286 total cpu time spent up to now is 128.8 secs Computing kpt #: 287 total cpu time spent up to now is 129.2 secs Computing kpt #: 288 total cpu time spent up to now is 129.6 secs Computing kpt #: 289 total cpu time spent up to now is 130.0 secs Computing kpt #: 290 total cpu time spent up to now is 130.5 secs Computing kpt #: 291 total cpu time spent up to now is 130.9 secs Computing kpt #: 292 total cpu time spent up to now is 131.3 secs Computing kpt #: 293 total cpu time spent up to now is 131.7 secs Computing kpt #: 294 total cpu time spent up to now is 132.1 secs Computing kpt #: 295 total cpu time spent up to now is 132.6 secs Computing kpt #: 296 total cpu time spent up to now is 133.0 secs Computing kpt #: 297 total cpu time spent up to now is 133.4 secs Computing kpt #: 298 total cpu time spent up to now is 133.8 secs Computing kpt #: 299 total cpu time spent up to now is 134.3 secs Computing kpt #: 300 total cpu time spent up to now is 134.7 secs Computing kpt #: 301 total cpu time spent up to now is 135.1 secs Computing kpt #: 302 total cpu time spent up to now is 135.5 secs Computing kpt #: 303 total cpu time spent up to now is 136.0 secs Computing kpt #: 304 total cpu time spent up to now is 136.4 secs Computing kpt #: 305 total cpu time spent up to now is 136.9 secs Computing kpt #: 306 total cpu time spent up to now is 137.3 secs Computing kpt #: 307 total cpu time spent up to now is 137.7 secs Computing kpt #: 308 total cpu time spent up to now is 138.2 secs Computing kpt #: 309 total cpu time spent up to now is 138.6 secs Computing kpt #: 310 total cpu time spent up to now is 139.0 secs Computing kpt #: 311 total cpu time spent up to now is 139.5 secs Computing kpt #: 312 total cpu time spent up to now is 139.9 secs Computing kpt #: 313 total cpu time spent up to now is 140.3 secs Computing kpt #: 314 total cpu time spent up to now is 140.8 secs Computing kpt #: 315 total cpu time spent up to now is 141.2 secs Computing kpt #: 316 total cpu time spent up to now is 141.7 secs Computing kpt #: 317 total cpu time spent up to now is 142.1 secs Computing kpt #: 318 total cpu time spent up to now is 142.6 secs Computing kpt #: 319 total cpu time spent up to now is 143.1 secs Computing kpt #: 320 total cpu time spent up to now is 143.5 secs Computing kpt #: 321 total cpu time spent up to now is 144.0 secs Computing kpt #: 322 total cpu time spent up to now is 144.5 secs Computing kpt #: 323 total cpu time spent up to now is 144.9 secs Computing kpt #: 324 total cpu time spent up to now is 145.4 secs Computing kpt #: 325 total cpu time spent up to now is 145.8 secs Computing kpt #: 326 total cpu time spent up to now is 146.2 secs Computing kpt #: 327 total cpu time spent up to now is 146.7 secs Computing kpt #: 328 total cpu time spent up to now is 147.1 secs Computing kpt #: 329 total cpu time spent up to now is 147.5 secs Computing kpt #: 330 total cpu time spent up to now is 148.0 secs Computing kpt #: 331 total cpu time spent up to now is 148.4 secs Computing kpt #: 332 total cpu time spent up to now is 148.7 secs Computing kpt #: 333 total cpu time spent up to now is 149.1 secs Computing kpt #: 334 total cpu time spent up to now is 149.5 secs Computing kpt #: 335 total cpu time spent up to now is 149.9 secs Computing kpt #: 336 total cpu time spent up to now is 150.3 secs Computing kpt #: 337 total cpu time spent up to now is 150.7 secs Computing kpt #: 338 total cpu time spent up to now is 151.1 secs Computing kpt #: 339 total cpu time spent up to now is 151.5 secs Computing kpt #: 340 total cpu time spent up to now is 151.9 secs Computing kpt #: 341 total cpu time spent up to now is 152.4 secs Computing kpt #: 342 total cpu time spent up to now is 152.8 secs Computing kpt #: 343 total cpu time spent up to now is 153.4 secs Computing kpt #: 344 total cpu time spent up to now is 153.9 secs Computing kpt #: 345 total cpu time spent up to now is 154.5 secs Computing kpt #: 346 total cpu time spent up to now is 155.0 secs Computing kpt #: 347 total cpu time spent up to now is 155.5 secs ethr = 2.50E-08, avg # of iterations = 16.1 total cpu time spent up to now is 155.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3093 PWs) bands (ev): -24.6915 -24.6915 -7.5745 -7.5745 -6.4789 -6.4789 -6.4190 -6.4190 -0.5563 -0.5563 3.3237 3.3237 4.4368 4.4368 5.8462 5.8462 5.9278 5.9278 5.9940 5.9940 6.5344 6.5344 6.6552 6.6552 6.7761 6.7761 6.8157 6.8157 6.9755 6.9755 7.0878 7.0878 7.3228 7.3228 8.3971 8.3971 8.4221 8.4221 10.3074 10.3074 10.5792 10.5792 10.6051 10.6051 11.7822 11.7822 13.2322 13.2322 k = 0.0000 0.0000 0.0185 ( 3093 PWs) bands (ev): -24.6915 -24.6915 -7.5746 -7.5746 -6.4789 -6.4789 -6.4192 -6.4192 -0.5547 -0.5547 3.3233 3.3233 4.4379 4.4379 5.8456 5.8456 5.9271 5.9271 5.9950 5.9950 6.5332 6.5332 6.6525 6.6525 6.7758 6.7758 6.8194 6.8194 6.9753 6.9753 7.0876 7.0876 7.3208 7.3208 8.3957 8.3957 8.4201 8.4201 10.2783 10.2783 10.5787 10.5787 10.6296 10.6296 11.7910 11.7910 13.2323 13.2323 k = 0.0000 0.0000 0.0369 ( 3101 PWs) bands (ev): -24.6914 -24.6914 -7.5749 -7.5749 -6.4791 -6.4791 -6.4199 -6.4199 -0.5501 -0.5501 3.3222 3.3222 4.4412 4.4412 5.8437 5.8437 5.9251 5.9251 5.9979 5.9979 6.5295 6.5295 6.6453 6.6453 6.7750 6.7750 6.8295 6.8295 6.9749 6.9749 7.0870 7.0870 7.3150 7.3150 8.3898 8.3898 8.4158 8.4158 10.2128 10.2128 10.5573 10.5573 10.7010 10.7010 11.8169 11.8169 13.2327 13.2327 k = 0.0000 0.0000 0.0554 ( 3099 PWs) bands (ev): -24.6913 -24.6913 -7.5753 -7.5753 -6.4793 -6.4793 -6.4209 -6.4209 -0.5423 -0.5423 3.3204 3.3204 4.4466 4.4466 5.8403 5.8403 5.9227 5.9227 6.0022 6.0022 6.5232 6.5232 6.6355 6.6355 6.7735 6.7735 6.8441 6.8441 6.9742 6.9742 7.0859 7.0859 7.3053 7.3053 8.3763 8.3763 8.4131 8.4131 10.1349 10.1349 10.5199 10.5199 10.7921 10.7921 11.8597 11.8597 13.2334 13.2334 k = 0.0000 0.0000 0.0739 ( 3093 PWs) bands (ev): -24.6912 -24.6912 -7.5759 -7.5759 -6.4797 -6.4797 -6.4224 -6.4224 -0.5315 -0.5315 3.3178 3.3178 4.4541 4.4541 5.8352 5.8352 5.9206 5.9206 6.0076 6.0076 6.5144 6.5144 6.6247 6.6247 6.7715 6.7715 6.8611 6.8611 6.9737 6.9737 7.0845 7.0845 7.2917 7.2917 8.3553 8.3553 8.4125 8.4125 10.0536 10.0536 10.4693 10.4693 10.8922 10.8922 11.9183 11.9183 13.2345 13.2345 k = 0.0000 0.0000 0.0924 ( 3097 PWs) bands (ev): -24.6911 -24.6911 -7.5767 -7.5767 -6.4801 -6.4801 -6.4242 -6.4242 -0.5177 -0.5177 3.3146 3.3146 4.4635 4.4635 5.8278 5.8278 5.9194 5.9194 6.0136 6.0136 6.5032 6.5032 6.6140 6.6140 6.7689 6.7689 6.8783 6.8783 6.9740 6.9740 7.0824 7.0824 7.2743 7.2743 8.3289 8.3289 8.4133 8.4133 9.9721 9.9721 10.4077 10.4077 10.9981 10.9981 11.9920 11.9920 13.2364 13.2364 k = 0.0000 0.0000 0.1108 ( 3113 PWs) bands (ev): -24.6910 -24.6910 -7.5777 -7.5777 -6.4807 -6.4807 -6.4265 -6.4265 -0.5008 -0.5008 3.3107 3.3107 4.4749 4.4749 5.8182 5.8182 5.9194 5.9194 6.0201 6.0201 6.4899 6.4899 6.6034 6.6034 6.7657 6.7657 6.8937 6.8937 6.9761 6.9761 7.0796 7.0796 7.2535 7.2535 8.2987 8.2987 8.4148 8.4148 9.8916 9.8916 10.3375 10.3375 11.1084 11.1084 12.0796 12.0796 13.2392 13.2392 k = 0.0000 0.0000 0.1293 ( 3114 PWs) bands (ev): -24.6908 -24.6908 -7.5788 -7.5788 -6.4813 -6.4813 -6.4291 -6.4291 -0.4811 -0.4811 3.3063 3.3063 4.4881 4.4881 5.8065 5.8065 5.9209 5.9209 6.0269 6.0269 6.4751 6.4751 6.5930 6.5930 6.7620 6.7620 6.9050 6.9050 6.9818 6.9818 7.0759 7.0759 7.2296 7.2296 8.2663 8.2663 8.4168 8.4168 9.8126 9.8126 10.2606 10.2606 11.2225 11.2225 12.1798 12.1798 13.2432 13.2432 k = 0.0000 0.0000 0.1478 ( 3118 PWs) bands (ev): -24.6906 -24.6906 -7.5801 -7.5801 -6.4820 -6.4820 -6.4320 -6.4320 -0.4586 -0.4586 3.3013 3.3013 4.5030 4.5030 5.7928 5.7928 5.9238 5.9238 6.0341 6.0341 6.4593 6.4593 6.5821 6.5821 6.7578 6.7578 6.9105 6.9105 6.9917 6.9917 7.0711 7.0711 7.2037 7.2037 8.2329 8.2329 8.4192 8.4192 9.7356 9.7356 10.1791 10.1791 11.3399 11.3399 12.2917 12.2917 13.2487 13.2487 k = 0.0000 0.0000 0.1663 ( 3126 PWs) bands (ev): -24.6903 -24.6903 -7.5815 -7.5815 -6.4829 -6.4829 -6.4353 -6.4353 -0.4332 -0.4332 3.2958 3.2958 4.5193 4.5193 5.7774 5.7774 5.9279 5.9279 6.0415 6.0415 6.4432 6.4432 6.5699 6.5699 6.7532 6.7532 6.9106 6.9106 7.0046 7.0046 7.0643 7.0643 7.1774 7.1774 8.1996 8.1996 8.4218 8.4218 9.6606 9.6606 10.0947 10.0947 11.4606 11.4606 12.4141 12.4141 13.2561 13.2561 k = 0.0000 0.0000 0.1847 ( 3130 PWs) bands (ev): -24.6901 -24.6901 -7.5831 -7.5831 -6.4838 -6.4838 -6.4388 -6.4388 -0.4052 -0.4052 3.2898 3.2898 4.5370 4.5370 5.7605 5.7605 5.9330 5.9330 6.0491 6.0491 6.4271 6.4271 6.5558 6.5558 6.7482 6.7482 6.9067 6.9067 7.0178 7.0178 7.0546 7.0546 7.1534 7.1534 8.1671 8.1671 8.4247 8.4247 9.5877 9.5877 10.0088 10.0088 11.5843 11.5843 12.5459 12.5459 13.2657 13.2657 k = 0.0000 0.0000 0.2032 ( 3136 PWs) bands (ev): -24.6898 -24.6898 -7.5848 -7.5848 -6.4848 -6.4848 -6.4426 -6.4426 -0.3747 -0.3747 3.2835 3.2835 4.5557 4.5557 5.7425 5.7425 5.9393 5.9393 6.0568 6.0568 6.4112 6.4112 6.5389 6.5389 6.7430 6.7430 6.8999 6.8999 7.0255 7.0255 7.0433 7.0433 7.1360 7.1360 8.1361 8.1361 8.4278 8.4278 9.5169 9.5169 9.9229 9.9229 11.7110 11.7110 12.6864 12.6864 13.2778 13.2778 k = 0.0000 0.0000 0.2217 ( 3136 PWs) bands (ev): -24.6895 -24.6895 -7.5866 -7.5866 -6.4860 -6.4860 -6.4466 -6.4466 -0.3416 -0.3416 3.2768 3.2768 4.5752 4.5752 5.7238 5.7238 5.9464 5.9464 6.0648 6.0648 6.3958 6.3958 6.5181 6.5181 6.7376 6.7376 6.8906 6.8906 7.0126 7.0126 7.0429 7.0429 7.1284 7.1284 8.1070 8.1070 8.4309 8.4309 9.4482 9.4482 9.8381 9.8381 11.8406 11.8406 12.8346 12.8346 13.2930 13.2930 k = 0.0000 0.0000 0.2402 ( 3144 PWs) bands (ev): -24.6892 -24.6892 -7.5886 -7.5886 -6.4872 -6.4872 -6.4508 -6.4508 -0.3063 -0.3063 3.2698 3.2698 4.5951 4.5951 5.7047 5.7047 5.9544 5.9544 6.0728 6.0728 6.3811 6.3811 6.4925 6.4925 6.7322 6.7322 6.8787 6.8787 6.9893 6.9893 7.0440 7.0440 7.1301 7.1301 8.0799 8.0799 8.4341 8.4341 9.3815 9.3815 9.7552 9.7552 11.9731 11.9731 12.9898 12.9898 13.3114 13.3114 k = 0.0000 0.0000 0.2586 ( 3144 PWs) bands (ev): -24.6888 -24.6888 -7.5906 -7.5906 -6.4886 -6.4886 -6.4551 -6.4551 -0.2687 -0.2687 3.2627 3.2627 4.6151 4.6151 5.6855 5.6855 5.9631 5.9631 6.0811 6.0811 6.3672 6.3672 6.4613 6.4613 6.7268 6.7268 6.8647 6.8647 6.9654 6.9654 7.0415 7.0415 7.1381 7.1381 8.0551 8.0551 8.4374 8.4374 9.3168 9.3168 9.6751 9.6751 12.1084 12.1084 13.1514 13.1514 13.3334 13.3334 k = 0.0000 0.0000 0.2771 ( 3144 PWs) bands (ev): -24.6885 -24.6885 -7.5928 -7.5928 -6.4901 -6.4901 -6.4594 -6.4594 -0.2291 -0.2291 3.2554 3.2554 4.6346 4.6346 5.6668 5.6668 5.9725 5.9725 6.0893 6.0893 6.3543 6.3543 6.4242 6.4242 6.7216 6.7216 6.8487 6.8487 6.9438 6.9438 7.0362 7.0362 7.1489 7.1489 8.0325 8.0325 8.4406 8.4406 9.2542 9.2542 9.5984 9.5984 12.2464 12.2464 13.3187 13.3187 13.3595 13.3595 k = 0.0000 0.0000 0.2956 ( 3146 PWs) bands (ev): -24.6881 -24.6881 -7.5950 -7.5950 -6.4917 -6.4917 -6.4638 -6.4638 -0.1876 -0.1876 3.2481 3.2481 4.6533 4.6533 5.6490 5.6490 5.9826 5.9826 6.0973 6.0973 6.3422 6.3422 6.3812 6.3812 6.7165 6.7165 6.8316 6.8316 6.9252 6.9252 7.0291 7.0291 7.1605 7.1605 8.0119 8.0119 8.4438 8.4438 9.1934 9.1934 9.5254 9.5254 12.3871 12.3871 13.3894 13.3894 13.4916 13.4916 k = 0.0000 0.0000 0.3140 ( 3150 PWs) bands (ev): -24.6877 -24.6877 -7.5973 -7.5973 -6.4936 -6.4936 -6.4680 -6.4680 -0.1443 -0.1443 3.2407 3.2407 4.6705 4.6705 5.6328 5.6328 5.9930 5.9930 6.1051 6.1051 6.3285 6.3285 6.3353 6.3353 6.7116 6.7116 6.8143 6.8143 6.9094 6.9094 7.0208 7.0208 7.1718 7.1718 7.9931 7.9931 8.4469 8.4469 9.1346 9.1346 9.4566 9.4566 12.5304 12.5304 13.4241 13.4241 13.6690 13.6690 k = 0.0000 0.0000 0.3325 ( 3148 PWs) bands (ev): -24.6873 -24.6873 -7.5997 -7.5997 -6.4958 -6.4958 -6.4721 -6.4721 -0.0994 -0.0994 3.2335 3.2335 4.6857 4.6857 5.6188 5.6188 6.0039 6.0039 6.1118 6.1118 6.2798 6.2798 6.3219 6.3219 6.7068 6.7068 6.7980 6.7980 6.8957 6.8957 7.0114 7.0114 7.1820 7.1820 7.9762 7.9762 8.4500 8.4500 9.0775 9.0775 9.3922 9.3922 12.6762 12.6762 13.4635 13.4635 13.8508 13.8508 k = 0.0000 0.0000 0.3510 ( 3148 PWs) bands (ev): -24.6869 -24.6869 -7.6022 -7.6022 -6.4983 -6.4983 -6.4760 -6.4760 -0.0532 -0.0532 3.2263 3.2263 4.6983 4.6983 5.6077 5.6077 6.0147 6.0147 6.1153 6.1153 6.2271 6.2271 6.3130 6.3130 6.7019 6.7019 6.7829 6.7829 6.8834 6.8834 7.0012 7.0012 7.1909 7.1909 7.9608 7.9608 8.4530 8.4530 9.0221 9.0221 9.3321 9.3321 12.8245 12.8245 13.5077 13.5077 14.0364 14.0364 k = 0.0000 0.0000 0.3695 ( 3140 PWs) bands (ev): -24.6864 -24.6864 -7.6046 -7.6046 -6.5012 -6.5012 -6.4794 -6.4794 -0.0057 -0.0057 3.2193 3.2193 4.7077 4.7077 5.6001 5.6001 6.0246 6.0246 6.1071 6.1071 6.1843 6.1843 6.3054 6.3054 6.6969 6.6969 6.7694 6.7694 6.8721 6.8721 6.9904 6.9904 7.1982 7.1982 7.9467 7.9467 8.4560 8.4560 8.9685 8.9685 9.2765 9.2765 12.9752 12.9752 13.5569 13.5569 14.2255 14.2255 k = 0.0000 0.0000 0.3879 ( 3142 PWs) bands (ev): -24.6860 -24.6860 -7.6072 -7.6072 -6.5045 -6.5045 -6.4825 -6.4825 0.0428 0.0428 3.2125 3.2125 4.7136 4.7136 5.5965 5.5965 6.0276 6.0276 6.0766 6.0766 6.1686 6.1686 6.2990 6.2990 6.6915 6.6915 6.7574 6.7574 6.8616 6.8616 6.9790 6.9790 7.2037 7.2037 7.9338 7.9338 8.4591 8.4591 8.9164 8.9164 9.2252 9.2252 13.1281 13.1281 13.6111 13.6111 14.3681 14.3681 k = 0.0000 0.0000 0.4064 ( 3142 PWs) bands (ev): -24.6855 -24.6855 -7.6097 -7.6097 -6.5082 -6.5082 -6.4852 -6.4852 0.0921 0.0921 3.2060 3.2060 4.7157 4.7157 5.5974 5.5974 5.9939 5.9939 6.0642 6.0642 6.1703 6.1703 6.2936 6.2936 6.6856 6.6856 6.7470 6.7470 6.8516 6.8516 6.9672 6.9672 7.2072 7.2072 7.9221 7.9221 8.4622 8.4622 8.8659 8.8659 9.1778 9.1778 13.2832 13.2832 13.6704 13.6704 14.2646 14.2646 k = 0.0000 0.0000 0.4249 ( 3132 PWs) bands (ev): -24.6851 -24.6851 -7.6123 -7.6123 -6.5122 -6.5122 -6.4874 -6.4874 0.1420 0.1420 3.1999 3.1999 4.7139 4.7139 5.6030 5.6030 5.9341 5.9341 6.0725 6.0725 6.1770 6.1770 6.2896 6.2896 6.6790 6.6790 6.7380 6.7380 6.8422 6.8422 6.9550 6.9550 7.2089 7.2089 7.9113 7.9113 8.4654 8.4654 8.8170 8.8170 9.1342 9.1342 13.4403 13.4403 13.7344 13.7344 14.0887 14.0887 k = 0.0000 0.0000 0.4434 ( 3132 PWs) bands (ev): -24.6846 -24.6846 -7.6148 -7.6148 -6.5165 -6.5165 -6.4894 -6.4894 0.1922 0.1922 3.1940 3.1940 4.7083 4.7083 5.6130 5.6130 5.8694 5.8694 6.0840 6.0840 6.1854 6.1854 6.2868 6.2868 6.6717 6.6717 6.7302 6.7302 6.8331 6.8331 6.9427 6.9427 7.2085 7.2085 7.9013 7.9013 8.4688 8.4688 8.7695 8.7695 9.0939 9.0939 13.5992 13.5992 13.8023 13.8023 13.9182 13.9182 k = 0.0000 0.0000 0.4618 ( 3124 PWs) bands (ev): -24.6841 -24.6841 -7.6173 -7.6173 -6.5209 -6.5209 -6.4911 -6.4911 0.2425 0.2425 3.1886 3.1886 4.6994 4.6994 5.6272 5.6272 5.8038 5.8038 6.0961 6.0961 6.1946 6.1946 6.2854 6.2854 6.6637 6.6637 6.7236 6.7236 6.8243 6.8243 6.9305 6.9305 7.2061 7.2061 7.8921 7.8921 8.4726 8.4726 8.7234 8.7234 9.0563 9.0563 13.7507 13.7507 13.7598 13.7598 13.8766 13.8766 k = 0.0000 0.0000 0.4803 ( 3130 PWs) bands (ev): -24.6837 -24.6837 -7.6198 -7.6198 -6.5254 -6.5254 -6.4927 -6.4927 0.2928 0.2928 3.1835 3.1835 4.6878 4.6878 5.6437 5.6437 5.7399 5.7399 6.1083 6.1083 6.2041 6.2041 6.2852 6.2852 6.6552 6.6552 6.7177 6.7177 6.8158 6.8158 6.9185 6.9185 7.2016 7.2016 7.8836 7.8836 8.4766 8.4766 8.6787 8.6787 9.0209 9.0209 13.5929 13.5929 13.9217 13.9217 13.9496 13.9496 k = 0.0000 0.0000 0.4988 ( 3130 PWs) bands (ev): -24.6832 -24.6832 -7.6223 -7.6223 -6.5299 -6.5299 -6.4941 -6.4941 0.3427 0.3427 3.1789 3.1789 4.6741 4.6741 5.6475 5.6475 5.6929 5.6929 6.1203 6.1203 6.2139 6.2139 6.2864 6.2864 6.6464 6.6464 6.7124 6.7124 6.8074 6.8074 6.9069 6.9069 7.1951 7.1951 7.8756 7.8756 8.4810 8.4810 8.6355 8.6355 8.9870 8.9870 13.4425 13.4425 14.0175 14.0175 14.0848 14.0848 k = 0.0000 0.0000 0.5173 ( 3128 PWs) bands (ev): -24.6827 -24.6827 -7.6248 -7.6248 -6.5344 -6.5344 -6.4953 -6.4953 0.3920 0.3920 3.1748 3.1748 4.6590 4.6590 5.5981 5.5981 5.7033 5.7033 6.1319 6.1319 6.2238 6.2238 6.2891 6.2891 6.6373 6.6373 6.7075 6.7075 6.7993 6.7993 6.8961 6.8961 7.1867 7.1867 7.8682 7.8682 8.4855 8.4855 8.5940 8.5940 8.9539 8.9539 13.3007 13.3007 14.0539 14.0539 14.2479 14.2479 k = 0.0000 0.0000 0.5357 ( 3132 PWs) bands (ev): -24.6823 -24.6823 -7.6272 -7.6272 -6.5387 -6.5387 -6.4965 -6.4965 0.4405 0.4405 3.1711 3.1711 4.6434 4.6434 5.5368 5.5368 5.7295 5.7295 6.1429 6.1429 6.2337 6.2337 6.2932 6.2932 6.6281 6.6281 6.7027 6.7027 6.7911 6.7911 6.8861 6.8861 7.1762 7.1762 7.8612 7.8612 8.4893 8.4893 8.5550 8.5550 8.9209 8.9209 13.1684 13.1684 14.0090 14.0090 14.3273 14.3273 k = 0.0000 0.0000 0.5542 ( 3132 PWs) bands (ev): -24.6818 -24.6818 -7.6295 -7.6295 -6.5430 -6.5430 -6.4975 -6.4975 0.4878 0.4878 3.1678 3.1678 4.6279 4.6279 5.4755 5.4755 5.7592 5.7592 6.1533 6.1533 6.2437 6.2437 6.2988 6.2988 6.6190 6.6190 6.6978 6.6978 6.7832 6.7832 6.8771 6.8771 7.1640 7.1640 7.8547 7.8547 8.4869 8.4869 8.5242 8.5242 8.8872 8.8872 13.0465 13.0465 13.9071 13.9071 14.3616 14.3616 k = 0.0000 0.0000 0.5727 ( 3128 PWs) bands (ev): -24.6814 -24.6814 -7.6318 -7.6318 -6.5472 -6.5472 -6.4985 -6.4985 0.5339 0.5339 3.1651 3.1651 4.6133 4.6133 5.4155 5.4155 5.7909 5.7909 6.1631 6.1631 6.2534 6.2534 6.3058 6.3058 6.6100 6.6100 6.6928 6.6928 6.7755 6.7755 6.8692 6.8692 7.1500 7.1500 7.8486 7.8486 8.4631 8.4631 8.5166 8.5166 8.8520 8.8520 12.9358 12.9358 13.7900 13.7900 14.3510 14.3510 k = 0.0000 0.0000 0.5911 ( 3128 PWs) bands (ev): -24.6809 -24.6809 -7.6340 -7.6340 -6.5513 -6.5513 -6.4993 -6.4993 0.5784 0.5784 3.1627 3.1627 4.6000 4.6000 5.3574 5.3574 5.8238 5.8238 6.1723 6.1723 6.2629 6.2629 6.3141 6.3141 6.6014 6.6014 6.6874 6.6874 6.7684 6.7684 6.8624 6.8624 7.1342 7.1342 7.8429 7.8429 8.4285 8.4285 8.5217 8.5217 8.8146 8.8146 12.8371 12.8371 13.6706 13.6706 14.3347 14.3347 k = 0.0000 0.0000 0.6096 ( 3136 PWs) bands (ev): -24.6805 -24.6805 -7.6361 -7.6361 -6.5552 -6.5552 -6.5002 -6.5002 0.6211 0.6211 3.1608 3.1608 4.5886 4.5886 5.3012 5.3012 5.8574 5.8574 6.1809 6.1809 6.2719 6.2719 6.3235 6.3235 6.5930 6.5930 6.6814 6.6814 6.7620 6.7620 6.8567 6.8567 7.1169 7.1169 7.8375 7.8375 8.3927 8.3927 8.5297 8.5297 8.7744 8.7744 12.7509 12.7509 13.5524 13.5524 14.3159 14.3159 k = 0.0000 0.0000 0.6281 ( 3140 PWs) bands (ev): -24.6800 -24.6800 -7.6382 -7.6382 -6.5589 -6.5589 -6.5009 -6.5009 0.6619 0.6619 3.1594 3.1594 4.5795 4.5795 5.2472 5.2472 5.8914 5.8914 6.1891 6.1891 6.2805 6.2805 6.3339 6.3339 6.5851 6.5851 6.6746 6.6746 6.7568 6.7568 6.8519 6.8519 7.0983 7.0983 7.8324 7.8324 8.3574 8.3574 8.5391 8.5391 8.7309 8.7309 12.6779 12.6779 13.4370 13.4370 14.2955 14.2955 k = 0.0000 0.0000 0.6466 ( 3132 PWs) bands (ev): -24.6796 -24.6796 -7.6401 -7.6401 -6.5625 -6.5625 -6.5016 -6.5016 0.7005 0.7005 3.1583 3.1583 4.5730 4.5730 5.1954 5.1954 5.9253 5.9253 6.1972 6.1972 6.2887 6.2887 6.3451 6.3451 6.5778 6.5778 6.6671 6.6671 6.7532 6.7532 6.8479 6.8479 7.0785 7.0785 7.8277 7.8277 8.3229 8.3229 8.5495 8.5495 8.6836 8.6836 12.6183 12.6183 13.3251 13.3251 14.2738 14.2738 k = 0.0000 0.0000 0.6650 ( 3136 PWs) bands (ev): -24.6792 -24.6792 -7.6420 -7.6420 -6.5659 -6.5659 -6.5022 -6.5022 0.7369 0.7369 3.1576 3.1576 4.5695 4.5695 5.1460 5.1460 5.9588 5.9588 6.2050 6.2050 6.2963 6.2963 6.3567 6.3567 6.5712 6.5712 6.6587 6.6587 6.7512 6.7512 6.8445 6.8445 7.0577 7.0577 7.8232 7.8232 8.2893 8.2893 8.5604 8.5604 8.6326 8.6326 12.5725 12.5725 13.2172 13.2172 14.2509 14.2509 k = 0.0000 0.0000 0.6835 ( 3136 PWs) bands (ev): -24.6789 -24.6789 -7.6438 -7.6438 -6.5691 -6.5691 -6.5027 -6.5027 0.7709 0.7709 3.1572 3.1572 4.5689 4.5689 5.0991 5.0991 5.9916 5.9916 6.2129 6.2129 6.3034 6.3034 6.3684 6.3684 6.5655 6.5655 6.6497 6.6497 6.7508 6.7508 6.8416 6.8416 7.0361 7.0361 7.8191 7.8191 8.2566 8.2566 8.5675 8.5675 8.5821 8.5821 12.5404 12.5404 13.1136 13.1136 14.2271 14.2271 k = 0.0000 0.0000 0.7020 ( 3144 PWs) bands (ev): -24.6785 -24.6785 -7.6454 -7.6454 -6.5721 -6.5721 -6.5032 -6.5032 0.8023 0.8023 3.1572 3.1572 4.5714 4.5714 5.0548 5.0548 6.0235 6.0235 6.2207 6.2207 6.3099 6.3099 6.3798 6.3798 6.5608 6.5608 6.6402 6.6402 6.7520 6.7520 6.8389 6.8389 7.0141 7.0141 7.8152 7.8152 8.2249 8.2249 8.5166 8.5166 8.5863 8.5863 12.5217 12.5217 13.0146 13.0146 14.2022 14.2022 k = 0.0000 0.0000 0.7205 ( 3136 PWs) bands (ev): -24.6781 -24.6781 -7.6470 -7.6470 -6.5749 -6.5749 -6.5037 -6.5037 0.8313 0.8313 3.1574 3.1574 4.5769 4.5769 5.0131 5.0131 6.0542 6.0542 6.2289 6.2289 6.3160 6.3160 6.3907 6.3907 6.5575 6.5575 6.6307 6.6307 6.7546 6.7546 6.8362 6.8362 6.9919 6.9919 7.8116 7.8116 8.1942 8.1942 8.4545 8.4545 8.5987 8.5987 12.5162 12.5162 12.9206 12.9206 14.1765 14.1765 k = 0.0000 0.0000 0.7389 ( 3128 PWs) bands (ev): -24.6778 -24.6778 -7.6485 -7.6485 -6.5775 -6.5775 -6.5041 -6.5041 0.8577 0.8577 3.1578 3.1578 4.5852 4.5852 4.9741 4.9741 6.0836 6.0836 6.2372 6.2372 6.3215 6.3215 6.4006 6.4006 6.5557 6.5557 6.6215 6.6215 6.7586 6.7586 6.8335 6.8335 6.9699 6.9699 7.8083 7.8083 8.1643 8.1643 8.3894 8.3894 8.6117 8.6117 12.5231 12.5231 12.8316 12.8316 14.1497 14.1497 k = 0.0000 0.0000 0.7574 ( 3132 PWs) bands (ev): -24.6775 -24.6775 -7.6498 -7.6498 -6.5799 -6.5799 -6.5045 -6.5045 0.8816 0.8816 3.1584 3.1584 4.5961 4.5961 4.9377 4.9377 6.1112 6.1112 6.2458 6.2458 6.3264 6.3264 6.4092 6.4092 6.5556 6.5556 6.6129 6.6129 6.7634 6.7634 6.8302 6.8302 6.9486 6.9486 7.8052 7.8052 8.1352 8.1352 8.3226 8.3226 8.6249 8.6249 12.5416 12.5416 12.7481 12.7481 14.1218 14.1218 k = 0.0000 0.0000 0.7759 ( 3132 PWs) bands (ev): -24.6772 -24.6772 -7.6511 -7.6511 -6.5822 -6.5822 -6.5048 -6.5048 0.9030 0.9030 3.1592 3.1592 4.6092 4.6092 4.9041 4.9041 6.1370 6.1370 6.2547 6.2547 6.3309 6.3309 6.4162 6.4162 6.5569 6.5569 6.6059 6.6059 6.7687 6.7687 6.8261 6.8261 6.9286 6.9286 7.8024 7.8024 8.1063 8.1063 8.2555 8.2555 8.6380 8.6380 12.5706 12.5706 12.6704 12.6704 14.0926 14.0926 k = 0.0000 0.0000 0.7944 ( 3132 PWs) bands (ev): -24.6769 -24.6769 -7.6523 -7.6523 -6.5842 -6.5842 -6.5050 -6.5050 0.9220 0.9220 3.1601 3.1601 4.6241 4.6241 4.8733 4.8733 6.1606 6.1606 6.2639 6.2639 6.3348 6.3348 6.4212 6.4212 6.5588 6.5588 6.6016 6.6016 6.7741 6.7741 6.8211 6.8211 6.9107 6.9107 7.7998 7.7998 8.0763 8.0763 8.1905 8.1905 8.6508 8.6508 12.5936 12.5936 12.6140 12.6140 14.0619 14.0619 k = 0.0000 0.0000 0.8128 ( 3142 PWs) bands (ev): -24.6767 -24.6767 -7.6533 -7.6533 -6.5860 -6.5860 -6.5053 -6.5053 0.9386 0.9386 3.1610 3.1610 4.6403 4.6403 4.8454 4.8454 6.1818 6.1818 6.2733 6.2733 6.3384 6.3384 6.4243 6.4243 6.5595 6.5595 6.6020 6.6020 6.7782 6.7782 6.8154 6.8154 6.8957 6.8957 7.7975 7.7975 8.0419 8.0419 8.1320 8.1320 8.6631 8.6631 12.5308 12.5308 12.6579 12.6579 14.0294 14.0294 k = 0.0000 0.0000 0.8313 ( 3144 PWs) bands (ev): -24.6765 -24.6765 -7.6542 -7.6542 -6.5877 -6.5877 -6.5055 -6.5055 0.9531 0.9531 3.1620 3.1620 4.6572 4.6572 4.8203 4.8203 6.2007 6.2007 6.2828 6.2828 6.3419 6.3419 6.4258 6.4258 6.5579 6.5579 6.6080 6.6080 6.7784 6.7784 6.8114 6.8114 6.8839 6.8839 7.7953 7.7953 7.9983 7.9983 8.0864 8.0864 8.6749 8.6749 12.4711 12.4711 12.7119 12.7119 13.9951 13.9951 k = 0.0000 0.0000 0.8498 ( 3146 PWs) bands (ev): -24.6763 -24.6763 -7.6551 -7.6551 -6.5891 -6.5891 -6.5057 -6.5057 0.9655 0.9655 3.1630 3.1630 4.6743 4.6743 4.7981 4.7981 6.2171 6.2171 6.2916 6.2916 6.3457 6.3457 6.4257 6.4257 6.5545 6.5545 6.6187 6.6187 6.7720 6.7720 6.8118 6.8118 6.8752 6.8752 7.7934 7.7934 7.9457 7.9457 8.0547 8.0547 8.6858 8.6858 12.4177 12.4177 12.7712 12.7712 13.9587 13.9587 k = 0.0000 0.0000 0.8682 ( 3142 PWs) bands (ev): -24.6761 -24.6761 -7.6558 -7.6558 -6.5904 -6.5904 -6.5058 -6.5058 0.9759 0.9759 3.1639 3.1639 4.6908 4.6908 4.7788 4.7788 6.2313 6.2313 6.2990 6.2990 6.3505 6.3505 6.4245 6.4245 6.5507 6.5507 6.6320 6.6320 6.7608 6.7608 6.8159 6.8159 6.8690 6.8690 7.7917 7.7917 7.8907 7.8907 8.0318 8.0318 8.6957 8.6957 12.3709 12.3709 12.8341 12.8341 13.9205 13.9205 k = 0.0000 0.0000 0.8867 ( 3144 PWs) bands (ev): -24.6760 -24.6760 -7.6564 -7.6564 -6.5914 -6.5914 -6.5059 -6.5059 0.9844 0.9844 3.1647 3.1647 4.7061 4.7061 4.7625 4.7625 6.2435 6.2435 6.3041 6.3041 6.3565 6.3565 6.4222 6.4222 6.5471 6.5471 6.6465 6.6465 6.7480 6.7480 6.8213 6.8213 6.8643 6.8643 7.7901 7.7901 7.8387 7.8387 8.0141 8.0141 8.7044 8.7044 12.3309 12.3309 12.8980 12.8980 13.8810 13.8810 k = 0.0000 0.0000 0.9052 ( 3140 PWs) bands (ev): -24.6758 -24.6758 -7.6569 -7.6569 -6.5923 -6.5923 -6.5060 -6.5060 0.9913 0.9913 3.1654 3.1654 4.7196 4.7196 4.7491 4.7491 6.2539 6.2539 6.3066 6.3066 6.3641 6.3641 6.4191 6.4191 6.5441 6.5441 6.6608 6.6608 6.7355 6.7355 6.8268 6.8268 6.8605 6.8605 7.7850 7.7850 7.7960 7.7960 8.0003 8.0003 8.7117 8.7117 12.2980 12.2980 12.9603 12.9603 13.8413 13.8413 k = 0.0000 0.0000 0.9237 ( 3140 PWs) bands (ev): -24.6757 -24.6757 -7.6573 -7.6573 -6.5930 -6.5930 -6.5061 -6.5061 0.9965 0.9965 3.1660 3.1660 4.7305 4.7305 4.7389 4.7389 6.2627 6.2627 6.3068 6.3068 6.3726 6.3726 6.4152 6.4152 6.5419 6.5419 6.6737 6.6737 6.7245 6.7245 6.8320 6.8320 6.8573 6.8573 7.7520 7.7520 7.7896 7.7896 7.9897 7.9897 8.7176 8.7176 12.2722 12.2722 13.0174 13.0174 13.8036 13.8036 k = 0.0000 0.0000 0.9421 ( 3136 PWs) bands (ev): -24.6757 -24.6757 -7.6575 -7.6575 -6.5935 -6.5935 -6.5061 -6.5061 1.0002 1.0002 3.1664 3.1664 4.7309 4.7309 4.7395 4.7395 6.2698 6.2698 6.3057 6.3057 6.3813 6.3813 6.4104 6.4104 6.5404 6.5404 6.6840 6.6840 6.7160 6.7160 6.8366 6.8366 6.8544 6.8544 7.7234 7.7234 7.7886 7.7886 7.9822 7.9822 8.7219 8.7219 12.2537 12.2537 13.0645 13.0645 13.7712 13.7712 k = 0.0000 0.0000 0.9606 ( 3136 PWs) bands (ev): -24.6756 -24.6756 -7.6577 -7.6577 -6.5937 -6.5937 -6.5062 -6.5062 1.0023 1.0023 3.1667 3.1667 4.7266 4.7266 4.7445 4.7445 6.2747 6.2747 6.3039 6.3039 6.3894 6.3894 6.4049 6.4049 6.5395 6.5395 6.6907 6.6907 6.7107 6.7107 6.8402 6.8402 6.8519 6.8519 7.7056 7.7056 7.7882 7.7882 7.9777 7.9777 8.7245 8.7245 12.2426 12.2426 13.0962 13.0962 13.7487 13.7487 k = 0.0000 0.0000 0.9791 ( 3132 PWs) bands (ev): -24.6756 -24.6756 -7.6578 -7.6578 -6.5938 -6.5938 -6.5062 -6.5062 1.0031 1.0031 3.1668 3.1668 4.7251 4.7251 4.7462 4.7462 6.2766 6.2766 6.3032 6.3032 6.3948 6.3948 6.4004 6.4004 6.5393 6.5393 6.6931 6.6931 6.7088 6.7088 6.8419 6.8419 6.8507 6.8507 7.6995 7.6995 7.7880 7.7880 7.9762 7.9762 8.7253 8.7253 12.2388 12.2388 13.1075 13.1075 13.7405 13.7405 k = 0.0000 0.0000 0.9791 ( 3132 PWs) bands (ev): -24.6756 -24.6756 -7.6578 -7.6578 -6.5938 -6.5938 -6.5062 -6.5062 1.0031 1.0031 3.1668 3.1668 4.7251 4.7251 4.7462 4.7462 6.2766 6.2766 6.3032 6.3032 6.3948 6.3948 6.4004 6.4004 6.5393 6.5393 6.6931 6.6931 6.7088 6.7088 6.8419 6.8419 6.8507 6.8507 7.6995 7.6995 7.7880 7.7880 7.9762 7.9762 8.7253 8.7253 12.2388 12.2388 13.1075 13.1075 13.7405 13.7405 k =-0.0088 0.0148 0.9791 ( 3128 PWs) bands (ev): -24.6756 -24.6756 -7.6577 -7.6577 -6.5937 -6.5937 -6.5062 -6.5062 1.0036 1.0036 3.1618 3.1618 4.7296 4.7296 4.7474 4.7474 6.2766 6.2766 6.3019 6.3019 6.3948 6.3948 6.4003 6.4003 6.5393 6.5393 6.6929 6.6929 6.7078 6.7078 6.8417 6.8417 6.8500 6.8500 7.6994 7.6994 7.7915 7.7915 7.9769 7.9769 8.7276 8.7276 12.2382 12.2382 13.1073 13.1073 13.7428 13.7428 k =-0.0176 0.0297 0.9791 ( 3128 PWs) bands (ev): -24.6757 -24.6757 -7.6576 -7.6576 -6.5935 -6.5935 -6.5063 -6.5063 1.0051 1.0051 3.1470 3.1470 4.7427 4.7427 4.7507 4.7507 6.2765 6.2765 6.2986 6.2986 6.3949 6.3949 6.4000 6.4000 6.5393 6.5393 6.6924 6.6924 6.7049 6.7049 6.8408 6.8408 6.8482 6.8482 7.6992 7.6992 7.8016 7.8016 7.9788 7.9788 8.7342 8.7342 12.2364 12.2364 13.1068 13.1068 13.7492 13.7492 k =-0.0265 0.0445 0.9791 ( 3128 PWs) bands (ev): -24.6757 -24.6757 -7.6574 -7.6574 -6.5930 -6.5930 -6.5064 -6.5064 1.0077 1.0077 3.1230 3.1230 4.7560 4.7560 4.7642 4.7642 6.2751 6.2751 6.2941 6.2941 6.3948 6.3948 6.3997 6.3997 6.5394 6.5394 6.6911 6.6911 6.7003 6.7003 6.8388 6.8388 6.8460 6.8460 7.6989 7.6989 7.8183 7.8183 7.9822 7.9822 8.7453 8.7453 12.2335 12.2335 13.1059 13.1059 13.7594 13.7594 k =-0.0353 0.0594 0.9791 ( 3124 PWs) bands (ev): -24.6758 -24.6758 -7.6571 -7.6571 -6.5924 -6.5924 -6.5066 -6.5066 1.0112 1.0112 3.0907 3.0907 4.7637 4.7637 4.7926 4.7926 6.2697 6.2697 6.2916 6.2916 6.3945 6.3945 6.3998 6.3998 6.5394 6.5394 6.6887 6.6887 6.6940 6.6940 6.8345 6.8345 6.8445 6.8445 7.6989 7.6989 7.8413 7.8413 7.9875 7.9875 8.7608 8.7608 12.2295 12.2295 13.1048 13.1048 13.7723 13.7723 k =-0.0441 0.0742 0.9791 ( 3122 PWs) bands (ev): -24.6759 -24.6759 -7.6567 -7.6567 -6.5916 -6.5916 -6.5068 -6.5068 1.0156 1.0156 3.0512 3.0512 4.7736 4.7736 4.8271 4.8271 6.2593 6.2593 6.2921 6.2921 6.3936 6.3936 6.4003 6.4003 6.5395 6.5395 6.6840 6.6840 6.6871 6.6871 6.8282 6.8282 6.8436 6.8436 7.6991 7.6991 7.8704 7.8704 7.9948 7.9948 8.7804 8.7804 12.2245 12.2245 13.1034 13.1034 13.7866 13.7866 k =-0.0529 0.0891 0.9791 ( 3126 PWs) bands (ev): -24.6760 -24.6760 -7.6562 -7.6562 -6.5906 -6.5906 -6.5070 -6.5070 1.0209 1.0209 3.0054 3.0054 4.7856 4.7856 4.8665 4.8665 6.2451 6.2451 6.2945 6.2945 6.3925 6.3925 6.4012 6.4012 6.5395 6.5395 6.6755 6.6755 6.6808 6.6808 6.8204 6.8204 6.8430 6.8430 7.6996 7.6996 7.9056 7.9056 8.0047 8.0047 8.8041 8.8041 12.2187 12.2187 13.1018 13.1018 13.8006 13.8006 k =-0.0617 0.1039 0.9791 ( 3122 PWs) bands (ev): -24.6762 -24.6762 -7.6557 -7.6557 -6.5894 -6.5894 -6.5073 -6.5073 1.0270 1.0270 2.9546 2.9546 4.7997 4.7997 4.9095 4.9095 6.2286 6.2286 6.2979 6.2979 6.3912 6.3912 6.4023 6.4023 6.5396 6.5396 6.6651 6.6651 6.6732 6.6732 6.8116 6.8116 6.8426 6.8426 7.7004 7.7004 7.9466 7.9466 8.0177 8.0177 8.8318 8.8318 12.2121 12.2121 13.1001 13.1001 13.8120 13.8120 k =-0.0706 0.1188 0.9791 ( 3124 PWs) bands (ev): -24.6763 -24.6763 -7.6551 -7.6551 -6.5880 -6.5880 -6.5077 -6.5077 1.0338 1.0338 2.8997 2.8997 4.8160 4.8160 4.9553 4.9553 6.2102 6.2102 6.3018 6.3018 6.3896 6.3896 6.4034 6.4034 6.5395 6.5395 6.6536 6.6536 6.6636 6.6636 6.8021 6.8021 6.8421 6.8421 7.7015 7.7015 7.9932 7.9932 8.0343 8.0343 8.8633 8.8633 12.2049 12.2049 13.0983 13.0983 13.8185 13.8185 k =-0.0794 0.1336 0.9791 ( 3120 PWs) bands (ev): -24.6765 -24.6765 -7.6544 -7.6544 -6.5865 -6.5865 -6.5080 -6.5080 1.0411 1.0411 2.8415 2.8415 4.8344 4.8344 5.0027 5.0027 6.1902 6.1902 6.3061 6.3061 6.3878 6.3878 6.4046 6.4046 6.5394 6.5394 6.6413 6.6413 6.6521 6.6521 6.7920 6.7920 6.8417 6.8417 7.7029 7.7029 8.0422 8.0422 8.0581 8.0581 8.8985 8.8985 12.1973 12.1973 13.0966 13.0966 13.8176 13.8176 k =-0.0882 0.1485 0.9791 ( 3116 PWs) bands (ev): -24.6767 -24.6767 -7.6536 -7.6536 -6.5847 -6.5847 -6.5084 -6.5084 1.0489 1.0489 2.7809 2.7809 4.8549 4.8549 5.0509 5.0509 6.1690 6.1690 6.3104 6.3104 6.3856 6.3856 6.4057 6.4057 6.5390 6.5390 6.6286 6.6286 6.6389 6.6389 6.7818 6.7818 6.8413 6.8413 7.7045 7.7045 8.0742 8.0742 8.1086 8.1086 8.9372 8.9372 12.1895 12.1895 13.0949 13.0949 13.8072 13.8072 k =-0.0882 0.1485 0.9791 ( 3116 PWs) bands (ev): -24.6767 -24.6767 -7.6536 -7.6536 -6.5847 -6.5847 -6.5084 -6.5084 1.0489 1.0489 2.7809 2.7809 4.8549 4.8549 5.0509 5.0509 6.1690 6.1690 6.3104 6.3104 6.3856 6.3856 6.4057 6.4057 6.5390 6.5390 6.6286 6.6286 6.6389 6.6389 6.7818 6.7818 6.8413 6.8413 7.7045 7.7045 8.0742 8.0742 8.1086 8.1086 8.9372 8.9372 12.1895 12.1895 13.0949 13.0949 13.8072 13.8072 k =-0.0948 0.1597 0.9661 ( 3124 PWs) bands (ev): -24.6769 -24.6769 -7.6529 -7.6529 -6.5833 -6.5833 -6.5087 -6.5087 1.0547 1.0547 2.7341 2.7341 4.8705 4.8705 5.0879 5.0879 6.1522 6.1522 6.3126 6.3126 6.3832 6.3832 6.4068 6.4068 6.5383 6.5383 6.6189 6.6189 6.6276 6.6276 6.7740 6.7740 6.8414 6.8414 7.7080 7.7080 8.0964 8.0964 8.1560 8.1560 8.9683 8.9683 12.1854 12.1854 13.0895 13.0895 13.7940 13.7940 k =-0.1015 0.1709 0.9531 ( 3124 PWs) bands (ev): -24.6771 -24.6771 -7.6522 -7.6522 -6.5818 -6.5818 -6.5089 -6.5089 1.0602 1.0602 2.6870 2.6870 4.8850 4.8850 5.1256 5.1256 6.1351 6.1351 6.3132 6.3132 6.3800 6.3800 6.4082 6.4082 6.5369 6.5369 6.6074 6.6074 6.6172 6.6172 6.7664 6.7664 6.8426 6.8426 7.7156 7.7156 8.1226 8.1226 8.2072 8.2072 9.0010 9.0010 12.1850 12.1850 13.0764 13.0764 13.7769 13.7769 k =-0.1081 0.1820 0.9401 ( 3122 PWs) bands (ev): -24.6773 -24.6773 -7.6514 -7.6514 -6.5803 -6.5803 -6.5089 -6.5089 1.0653 1.0653 2.6398 2.6398 4.8980 4.8980 5.1638 5.1638 6.1178 6.1178 6.3124 6.3124 6.3758 6.3758 6.4098 6.4098 6.5333 6.5333 6.5934 6.5934 6.6101 6.6101 6.7592 6.7592 6.8445 6.8445 7.7268 7.7268 8.1532 8.1532 8.2613 8.2613 9.0356 9.0356 12.1885 12.1885 13.0568 13.0568 13.7545 13.7545 k =-0.1148 0.1932 0.9271 ( 3124 PWs) bands (ev): -24.6776 -24.6776 -7.6505 -7.6505 -6.5788 -6.5788 -6.5087 -6.5087 1.0700 1.0700 2.5928 2.5928 4.9095 4.9095 5.2022 5.2022 6.1004 6.1004 6.3105 6.3105 6.3704 6.3704 6.4111 6.4111 6.5253 6.5253 6.5815 6.5815 6.6051 6.6051 6.7527 6.7527 6.8469 6.8469 7.7411 7.7411 8.1881 8.1881 8.3180 8.3180 9.0723 9.0723 12.1959 12.1959 13.0320 13.0320 13.7260 13.7260 k =-0.1214 0.2044 0.9141 ( 3124 PWs) bands (ev): -24.6778 -24.6778 -7.6496 -7.6496 -6.5774 -6.5774 -6.5082 -6.5082 1.0744 1.0744 2.5463 2.5463 4.9191 4.9191 5.2405 5.2405 6.0831 6.0831 6.3077 6.3077 6.3638 6.3638 6.4118 6.4118 6.5115 6.5115 6.5739 6.5739 6.6020 6.6020 6.7471 6.7471 6.8495 6.8495 7.7584 7.7584 8.2273 8.2273 8.3767 8.3767 9.1115 9.1115 12.2072 12.2072 13.0031 13.0031 13.6913 13.6913 k =-0.1281 0.2156 0.9011 ( 3125 PWs) bands (ev): -24.6781 -24.6781 -7.6487 -7.6487 -6.5761 -6.5761 -6.5075 -6.5075 1.0785 1.0785 2.5003 2.5003 4.9268 4.9268 5.2785 5.2785 6.0662 6.0662 6.3040 6.3040 6.3562 6.3562 6.4111 6.4111 6.4942 6.4942 6.5691 6.5691 6.6011 6.6011 6.7423 6.7423 6.8519 6.8519 7.7785 7.7785 8.2702 8.2702 8.4368 8.4368 9.1538 9.1538 12.2226 12.2226 12.9712 12.9712 13.6505 13.6505 k =-0.1347 0.2268 0.8880 ( 3123 PWs) bands (ev): -24.6784 -24.6784 -7.6478 -7.6478 -6.5751 -6.5751 -6.5063 -6.5063 1.0823 1.0823 2.4552 2.4552 4.9325 4.9325 5.3162 5.3162 6.0497 6.0497 6.2992 6.2992 6.3479 6.3479 6.4085 6.4085 6.4769 6.4769 6.5646 6.5646 6.6025 6.6025 6.7386 6.7386 6.8541 6.8541 7.8013 7.8013 8.3166 8.3166 8.4976 8.4976 9.1999 9.1999 12.2420 12.2420 12.9373 12.9373 13.6042 13.6042 k =-0.1413 0.2380 0.8750 ( 3123 PWs) bands (ev): -24.6787 -24.6787 -7.6468 -7.6468 -6.5743 -6.5743 -6.5048 -6.5048 1.0857 1.0857 2.4111 2.4111 4.9360 4.9360 5.3533 5.3533 6.0338 6.0338 6.2924 6.2924 6.3394 6.3394 6.4031 6.4031 6.4623 6.4623 6.5595 6.5595 6.6058 6.6058 6.7360 6.7360 6.8558 6.8558 7.8270 7.8270 8.3658 8.3658 8.5581 8.5581 9.2506 9.2506 12.2656 12.2656 12.9023 12.9023 13.5532 13.5532 k =-0.1480 0.2491 0.8620 ( 3130 PWs) bands (ev): -24.6790 -24.6790 -7.6458 -7.6458 -6.5737 -6.5737 -6.5029 -6.5029 1.0889 1.0889 2.3681 2.3681 4.9373 4.9373 5.3897 5.3897 6.0184 6.0184 6.2827 6.2827 6.3315 6.3315 6.3950 6.3950 6.4517 6.4517 6.5536 6.5536 6.6102 6.6102 6.7343 6.7343 6.8569 6.8569 7.8555 7.8555 8.4174 8.4174 8.6174 8.6174 9.3065 9.3065 12.2933 12.2933 12.8668 12.8668 13.4982 13.4982 k =-0.1546 0.2603 0.8490 ( 3132 PWs) bands (ev): -24.6793 -24.6793 -7.6448 -7.6448 -6.5735 -6.5735 -6.5006 -6.5006 1.0918 1.0918 2.3264 2.3264 4.9364 4.9364 5.4255 5.4255 6.0039 6.0039 6.2696 6.2696 6.3250 6.3250 6.3856 6.3856 6.4446 6.4446 6.5473 6.5473 6.6150 6.6150 6.7336 6.7336 6.8573 6.8573 7.8871 7.8871 8.4708 8.4708 8.6745 8.6745 9.3687 9.3687 12.3252 12.3252 12.8314 12.8314 13.4400 13.4400 k =-0.1613 0.2715 0.8360 ( 3130 PWs) bands (ev): -24.6796 -24.6796 -7.6439 -7.6439 -6.5735 -6.5735 -6.4979 -6.4979 1.0944 1.0944 2.2861 2.2861 4.9335 4.9335 5.4605 5.4605 5.9902 5.9902 6.2535 6.2535 6.3197 6.3197 6.3763 6.3763 6.4394 6.4394 6.5411 6.5411 6.6196 6.6196 6.7339 6.7339 6.8568 6.8568 7.9218 7.9218 8.5253 8.5253 8.7286 8.7286 9.4378 9.4378 12.3612 12.3612 12.7965 12.7965 13.3792 13.3792 k =-0.1679 0.2827 0.8230 ( 3124 PWs) bands (ev): -24.6799 -24.6799 -7.6429 -7.6429 -6.5739 -6.5739 -6.4948 -6.4948 1.0967 1.0967 2.2473 2.2473 4.9285 4.9285 5.4947 5.4947 5.9775 5.9775 6.2355 6.2355 6.3150 6.3150 6.3681 6.3681 6.4352 6.4352 6.5353 6.5353 6.6237 6.6237 6.7349 6.7349 6.8554 6.8554 7.9596 7.9596 8.5803 8.5803 8.7789 8.7789 9.5142 9.5142 12.4015 12.4015 12.7624 12.7624 13.3167 13.3167 k =-0.1745 0.2939 0.8100 ( 3124 PWs) bands (ev): -24.6802 -24.6802 -7.6420 -7.6420 -6.5744 -6.5744 -6.4915 -6.4915 1.0988 1.0988 2.2100 2.2100 4.9216 4.9216 5.5281 5.5281 5.9656 5.9656 6.2163 6.2163 6.3103 6.3103 6.3612 6.3612 6.4314 6.4314 6.5302 6.5302 6.6270 6.6270 6.7365 6.7365 6.8531 6.8531 8.0006 8.0006 8.6354 8.6354 8.8250 8.8250 9.5984 9.5984 12.4458 12.4458 12.7293 12.7293 13.2533 13.2533 k =-0.1812 0.3050 0.7970 ( 3118 PWs) bands (ev): -24.6805 -24.6805 -7.6412 -7.6412 -6.5752 -6.5752 -6.4878 -6.4878 1.1007 1.1007 2.1744 2.1744 4.9130 4.9130 5.5607 5.5607 5.9547 5.9547 6.1971 6.1971 6.3050 6.3050 6.3557 6.3557 6.4278 6.4278 6.5260 6.5260 6.6295 6.6295 6.7387 6.7387 6.8499 6.8499 8.0447 8.0447 8.6897 8.6897 8.8668 8.8668 9.6900 9.6900 12.4943 12.4943 12.6971 12.6971 13.1899 13.1899 k =-0.1878 0.3162 0.7840 ( 3118 PWs) bands (ev): -24.6808 -24.6808 -7.6403 -7.6403 -6.5761 -6.5761 -6.4840 -6.4840 1.1024 1.1024 2.1405 2.1405 4.9029 4.9029 5.5923 5.5923 5.9446 5.9446 6.1784 6.1784 6.2988 6.2988 6.3512 6.3512 6.4245 6.4245 6.5229 6.5229 6.6312 6.6312 6.7412 6.7412 6.8459 6.8459 8.0918 8.0918 8.7427 8.7427 8.9043 8.9043 9.7889 9.7889 12.5468 12.5468 12.6654 12.6654 13.1276 13.1276 k =-0.1945 0.3274 0.7710 ( 3118 PWs) bands (ev): -24.6811 -24.6811 -7.6395 -7.6395 -6.5771 -6.5771 -6.4801 -6.4801 1.1038 1.1038 2.1084 2.1084 4.8916 4.8916 5.6232 5.6232 5.9353 5.9353 6.1605 6.1605 6.2914 6.2914 6.3475 6.3475 6.4217 6.4217 6.5210 6.5210 6.6321 6.6321 6.7438 6.7438 6.8409 6.8409 8.1417 8.1417 8.7937 8.7937 8.9379 8.9379 9.8946 9.8946 12.6023 12.6023 12.6343 12.6343 13.0681 13.0681 k =-0.2011 0.3386 0.7580 ( 3120 PWs) bands (ev): -24.6814 -24.6814 -7.6388 -7.6388 -6.5783 -6.5783 -6.4761 -6.4761 1.1051 1.1051 2.0781 2.0781 4.8794 4.8794 5.6532 5.6532 5.9269 5.9269 6.1437 6.1437 6.2827 6.2827 6.3444 6.3444 6.4195 6.4195 6.5204 6.5204 6.6324 6.6324 6.7465 6.7465 6.8350 6.8350 8.1943 8.1943 8.8421 8.8421 8.9678 8.9678 10.0064 10.0064 12.5987 12.5987 12.6649 12.6649 13.0132 13.0132 k =-0.2078 0.3498 0.7450 ( 3120 PWs) bands (ev): -24.6817 -24.6817 -7.6381 -7.6381 -6.5795 -6.5795 -6.4721 -6.4721 1.1062 1.1062 2.0498 2.0498 4.8665 4.8665 5.6823 5.6823 5.9193 5.9193 6.1282 6.1282 6.2726 6.2726 6.3418 6.3418 6.4179 6.4179 6.5210 6.5210 6.6321 6.6321 6.7491 6.7491 6.8284 6.8284 8.2492 8.2492 8.8873 8.8873 8.9944 8.9944 10.1237 10.1237 12.5629 12.5629 12.7287 12.7287 12.9650 12.9650 k =-0.2144 0.3610 0.7320 ( 3125 PWs) bands (ev): -24.6820 -24.6820 -7.6374 -7.6374 -6.5807 -6.5807 -6.4682 -6.4682 1.1071 1.1071 2.0234 2.0234 4.8532 4.8532 5.7105 5.7105 5.9124 5.9124 6.1141 6.1141 6.2612 6.2612 6.3395 6.3395 6.4170 6.4170 6.5228 6.5228 6.6313 6.6313 6.7515 6.7515 6.8211 6.8211 8.3061 8.3061 8.9286 8.9286 9.0180 9.0180 10.2458 10.2458 12.5230 12.5230 12.7961 12.7961 12.9256 12.9256 k =-0.2210 0.3721 0.7190 ( 3129 PWs) bands (ev): -24.6823 -24.6823 -7.6368 -7.6368 -6.5819 -6.5819 -6.4644 -6.4644 1.1079 1.1079 1.9989 1.9989 4.8397 4.8397 5.7377 5.7377 5.9063 5.9063 6.1013 6.1013 6.2485 6.2485 6.3377 6.3377 6.4164 6.4164 6.5258 6.5258 6.6302 6.6302 6.7537 6.7537 6.8132 6.8132 8.3646 8.3646 8.9655 8.9655 9.0389 9.0389 10.3720 10.3720 12.4786 12.4786 12.8660 12.8660 12.8971 12.8971 k =-0.2277 0.3833 0.7060 ( 3138 PWs) bands (ev): -24.6825 -24.6825 -7.6363 -7.6363 -6.5831 -6.5831 -6.4607 -6.4607 1.1086 1.1086 1.9765 1.9765 4.8265 4.8265 5.7638 5.7638 5.9012 5.9012 6.0900 6.0900 6.2346 6.2346 6.3362 6.3362 6.4161 6.4161 6.5299 6.5299 6.6289 6.6289 6.7554 6.7554 6.8048 6.8048 8.4244 8.4244 8.9973 8.9973 9.0573 9.0573 10.5017 10.5017 12.4303 12.4303 12.8766 12.8766 12.9408 12.9408 k =-0.2343 0.3945 0.6930 ( 3144 PWs) bands (ev): -24.6827 -24.6827 -7.6358 -7.6358 -6.5842 -6.5842 -6.4572 -6.4572 1.1092 1.1092 1.9561 1.9561 4.8137 4.8137 5.7885 5.7885 5.8970 5.8970 6.0800 6.0800 6.2198 6.2198 6.3350 6.3350 6.4160 6.4160 6.5350 6.5350 6.6274 6.6274 6.7567 6.7567 6.7963 6.7963 8.4848 8.4848 9.0235 9.0235 9.0735 9.0735 10.6341 10.6341 12.3794 12.3794 12.8678 12.8678 13.0149 13.0149 k =-0.2410 0.4057 0.6799 ( 3138 PWs) bands (ev): -24.6829 -24.6829 -7.6354 -7.6354 -6.5853 -6.5853 -6.4540 -6.4540 1.1096 1.1096 1.9378 1.9378 4.8016 4.8016 5.8115 5.8115 5.8945 5.8945 6.0715 6.0715 6.2042 6.2042 6.3343 6.3343 6.4159 6.4159 6.5410 6.5410 6.6260 6.6260 6.7573 6.7573 6.7880 6.7880 8.5455 8.5455 9.0437 9.0437 9.0877 9.0877 10.7681 10.7681 12.3278 12.3278 12.8672 12.8672 13.0877 13.0877 k =-0.2476 0.4169 0.6669 ( 3138 PWs) bands (ev): -24.6831 -24.6831 -7.6350 -7.6350 -6.5863 -6.5863 -6.4510 -6.4510 1.1100 1.1100 1.9216 1.9216 4.7904 4.7904 5.8314 5.8314 5.8945 5.8945 6.0642 6.0642 6.1880 6.1880 6.3339 6.3339 6.4157 6.4157 6.5477 6.5477 6.6245 6.6245 6.7566 6.7566 6.7806 6.7806 8.6057 8.6057 9.0575 9.0575 9.0999 9.0999 10.9026 10.9026 12.2775 12.2775 12.8737 12.8737 13.1519 13.1519 k =-0.2542 0.4280 0.6539 ( 3138 PWs) bands (ev): -24.6833 -24.6833 -7.6347 -7.6347 -6.5872 -6.5872 -6.4484 -6.4484 1.1103 1.1103 1.9076 1.9076 4.7802 4.7802 5.8464 5.8464 5.8990 5.8990 6.0581 6.0581 6.1715 6.1715 6.3337 6.3337 6.4155 6.4155 6.5548 6.5548 6.6231 6.6231 6.7539 6.7539 6.7751 6.7751 8.6650 8.6650 9.0646 9.0646 9.1102 9.1102 11.0361 11.0361 12.2304 12.2304 12.8855 12.8855 13.1865 13.1865 k =-0.2609 0.4392 0.6409 ( 3150 PWs) bands (ev): -24.6834 -24.6834 -7.6344 -7.6344 -6.5879 -6.5879 -6.4461 -6.4461 1.1105 1.1105 1.8956 1.8956 4.7714 4.7714 5.8547 5.8547 5.9094 5.9094 6.0531 6.0531 6.1549 6.1549 6.3337 6.3337 6.4151 6.4151 6.5619 6.5619 6.6219 6.6219 6.7486 6.7486 6.7721 6.7721 8.7225 8.7225 9.0648 9.0648 9.1188 9.1188 11.1663 11.1663 12.1880 12.1880 12.9011 12.9011 13.1550 13.1550 k =-0.2675 0.4504 0.6279 ( 3154 PWs) bands (ev): -24.6835 -24.6835 -7.6342 -7.6342 -6.5886 -6.5886 -6.4442 -6.4442 1.1107 1.1107 1.8858 1.8858 4.7639 4.7639 5.8578 5.8578 5.9238 5.9238 6.0493 6.0493 6.1388 6.1388 6.3338 6.3338 6.4147 6.4147 6.5688 6.5688 6.6209 6.6209 6.7421 6.7421 6.7709 6.7709 8.7776 8.7776 9.0581 9.0581 9.1258 9.1258 11.2899 11.2899 12.1515 12.1515 12.9184 12.9184 13.0657 13.0657 k =-0.2742 0.4616 0.6149 ( 3146 PWs) bands (ev): -24.6836 -24.6836 -7.6340 -7.6340 -6.5891 -6.5891 -6.4427 -6.4427 1.1108 1.1108 1.8782 1.8782 4.7580 4.7580 5.8587 5.8587 5.9389 5.9389 6.0468 6.0468 6.1237 6.1237 6.3340 6.3340 6.4144 6.4144 6.5751 6.5751 6.6202 6.6202 6.7357 6.7357 6.7705 6.7705 8.8296 8.8296 9.0444 9.0444 9.1311 9.1311 11.4018 11.4018 12.1221 12.1221 12.9337 12.9337 12.9641 12.9641 k =-0.2808 0.4728 0.6019 ( 3148 PWs) bands (ev): -24.6837 -24.6837 -7.6339 -7.6339 -6.5894 -6.5894 -6.4416 -6.4416 1.1109 1.1109 1.8727 1.8727 4.7538 4.7538 5.8587 5.8587 5.9520 5.9520 6.0453 6.0453 6.1107 6.1107 6.3341 6.3341 6.4141 6.4141 6.5800 6.5800 6.6197 6.6197 6.7304 6.7304 6.7704 6.7704 8.8775 8.8775 9.0243 9.0243 9.1349 9.1349 11.4944 11.4944 12.1007 12.1007 12.8685 12.8685 12.9521 12.9521 k =-0.2875 0.4840 0.5889 ( 3148 PWs) bands (ev): -24.6837 -24.6837 -7.6338 -7.6338 -6.5897 -6.5897 -6.4410 -6.4410 1.1110 1.1110 1.8695 1.8695 4.7512 4.7512 5.8585 5.8585 5.9611 5.9611 6.0448 6.0448 6.1015 6.1015 6.3342 6.3342 6.4139 6.4139 6.5833 6.5833 6.6194 6.6194 6.7268 6.7268 6.7704 6.7704 8.9196 8.9196 8.9990 8.9990 9.1372 9.1372 11.5573 11.5573 12.0876 12.0876 12.8049 12.8049 12.9620 12.9620 k =-0.2941 0.4951 0.5759 ( 3144 PWs) bands (ev): -24.6837 -24.6837 -7.6338 -7.6338 -6.5897 -6.5897 -6.4408 -6.4408 1.1110 1.1110 1.8684 1.8684 4.7504 4.7504 5.8584 5.8584 5.9641 5.9641 6.0447 6.0447 6.0984 6.0984 6.3343 6.3343 6.4138 6.4138 6.5845 6.5845 6.6193 6.6193 6.7255 6.7255 6.7704 6.7704 8.9440 8.9440 8.9802 8.9802 9.1380 9.1380 11.5798 11.5798 12.0832 12.0832 12.7820 12.7820 12.9658 12.9658 k =-0.2941 0.4951 0.5759 ( 3144 PWs) bands (ev): -24.6837 -24.6837 -7.6338 -7.6338 -6.5897 -6.5897 -6.4408 -6.4408 1.1110 1.1110 1.8684 1.8684 4.7504 4.7504 5.8584 5.8584 5.9641 5.9641 6.0447 6.0447 6.0984 6.0984 6.3343 6.3343 6.4138 6.4138 6.5845 6.5845 6.6193 6.6193 6.7255 6.7255 6.7704 6.7704 8.9440 8.9440 8.9802 8.9802 9.1380 9.1380 11.5798 11.5798 12.0832 12.0832 12.7820 12.7820 12.9658 12.9658 k =-0.2874 0.4839 0.5628 ( 3144 PWs) bands (ev): -24.6836 -24.6836 -7.6349 -7.6349 -6.5918 -6.5918 -6.4399 -6.4399 1.0976 1.0976 1.9232 1.9232 4.7226 4.7226 5.8598 5.8598 5.9712 5.9712 6.0374 6.0374 6.1095 6.1095 6.3445 6.3445 6.4120 6.4120 6.5782 6.5782 6.6137 6.6137 6.7095 6.7095 6.7660 6.7660 8.8886 8.8886 8.9957 8.9957 9.0504 9.0504 11.4829 11.4829 12.1700 12.1700 12.7362 12.7362 13.0237 13.0237 k =-0.2807 0.4726 0.5497 ( 3157 PWs) bands (ev): -24.6835 -24.6835 -7.6358 -7.6358 -6.5936 -6.5936 -6.4390 -6.4390 1.0797 1.0797 1.9788 1.9788 4.7005 4.7005 5.8593 5.8593 5.9738 5.9738 6.0350 6.0350 6.1216 6.1216 6.3517 6.3517 6.4115 6.4115 6.5725 6.5725 6.6102 6.6102 6.6938 6.6938 6.7633 6.7633 8.8312 8.8312 8.9631 8.9631 9.0183 9.0183 11.3845 11.3845 12.2567 12.2567 12.6938 12.6938 13.0841 13.0841 k =-0.2740 0.4614 0.5366 ( 3157 PWs) bands (ev): -24.6834 -24.6834 -7.6364 -7.6364 -6.5949 -6.5949 -6.4383 -6.4383 1.0573 1.0573 2.0352 2.0352 4.6841 4.6841 5.8566 5.8566 5.9708 5.9708 6.0391 6.0391 6.1345 6.1345 6.3548 6.3548 6.4139 6.4139 6.5680 6.5680 6.6090 6.6090 6.6791 6.6791 6.7624 6.7624 8.7763 8.7763 8.8802 8.8802 9.0402 9.0402 11.2851 11.2851 12.3427 12.3427 12.6546 12.6546 13.1465 13.1465 k =-0.2674 0.4501 0.5235 ( 3157 PWs) bands (ev): -24.6833 -24.6833 -7.6369 -7.6369 -6.5959 -6.5959 -6.4376 -6.4376 1.0304 1.0304 2.0922 2.0922 4.6733 4.6733 5.8516 5.8516 5.9634 5.9634 6.0481 6.0481 6.1479 6.1479 6.3535 6.3535 6.4191 6.4191 6.5648 6.5648 6.6100 6.6100 6.6656 6.6656 6.7630 6.7630 8.7243 8.7243 8.7994 8.7994 9.0632 9.0632 11.1852 11.1852 12.4272 12.4272 12.6187 12.6187 13.2108 13.2108 k =-0.2607 0.4389 0.5105 ( 3151 PWs) bands (ev): -24.6832 -24.6832 -7.6371 -7.6371 -6.5964 -6.5964 -6.4370 -6.4370 0.9992 0.9992 2.1496 2.1496 4.6680 4.6680 5.8441 5.8441 5.9537 5.9537 6.0599 6.0599 6.1620 6.1620 6.3493 6.3493 6.4260 6.4260 6.5631 6.5631 6.6128 6.6128 6.6541 6.6541 6.7650 6.7650 8.6746 8.6746 8.7219 8.7219 9.0873 9.0873 11.0850 11.0850 12.5094 12.5094 12.5863 12.5863 13.2766 13.2766 k =-0.2540 0.4276 0.4974 ( 3147 PWs) bands (ev): -24.6832 -24.6832 -7.6372 -7.6372 -6.5965 -6.5965 -6.4364 -6.4364 0.9639 0.9639 2.2074 2.2074 4.6678 4.6678 5.8341 5.8341 5.9430 5.9430 6.0729 6.0729 6.1765 6.1765 6.3438 6.3438 6.4331 6.4331 6.5627 6.5627 6.6173 6.6173 6.6452 6.6452 6.7683 6.7683 8.6230 8.6230 8.6524 8.6524 9.1123 9.1123 10.9849 10.9849 12.5570 12.5570 12.5882 12.5882 13.3438 13.3438 k =-0.2473 0.4164 0.4843 ( 3147 PWs) bands (ev): -24.6832 -24.6832 -7.6370 -7.6370 -6.5962 -6.5962 -6.4360 -6.4360 0.9249 0.9249 2.2652 2.2652 4.6723 4.6723 5.8217 5.8217 5.9319 5.9319 6.0863 6.0863 6.1916 6.1916 6.3381 6.3381 6.4395 6.4395 6.5635 6.5635 6.6226 6.6226 6.6400 6.6400 6.7729 6.7729 8.5584 8.5584 8.6020 8.6020 9.1384 9.1384 10.8852 10.8852 12.5312 12.5312 12.6622 12.6622 13.4124 13.4124 k =-0.2406 0.4051 0.4712 ( 3145 PWs) bands (ev): -24.6833 -24.6833 -7.6365 -7.6365 -6.5955 -6.5955 -6.4357 -6.4357 0.8824 0.8824 2.3231 2.3231 4.6809 4.6809 5.8070 5.8070 5.9207 5.9207 6.0994 6.0994 6.2069 6.2069 6.3333 6.3333 6.4445 6.4445 6.5652 6.5652 6.6280 6.6280 6.6404 6.6404 6.7787 6.7787 8.4878 8.4878 8.5638 8.5638 9.1656 9.1656 10.7859 10.7859 12.5085 12.5085 12.7297 12.7297 13.4822 13.4822 k =-0.2339 0.3939 0.4581 ( 3149 PWs) bands (ev): -24.6833 -24.6833 -7.6359 -7.6359 -6.5943 -6.5943 -6.4354 -6.4354 0.8368 0.8368 2.3806 2.3806 4.6929 4.6929 5.7902 5.7902 5.9097 5.9097 6.1117 6.1117 6.2224 6.2224 6.3301 6.3301 6.4477 6.4477 6.5677 6.5677 6.6330 6.6330 6.6466 6.6466 6.7857 6.7857 8.4176 8.4176 8.5316 8.5316 9.1941 9.1941 10.6874 10.6874 12.4890 12.4890 12.7889 12.7889 13.5536 13.5536 k =-0.2273 0.3826 0.4450 ( 3149 PWs) bands (ev): -24.6834 -24.6834 -7.6350 -7.6350 -6.5928 -6.5928 -6.4353 -6.4353 0.7884 0.7884 2.4378 2.4378 4.7078 4.7078 5.7718 5.7718 5.8992 5.8992 6.1230 6.1230 6.2375 6.2375 6.3293 6.3293 6.4495 6.4495 6.5715 6.5715 6.6398 6.6398 6.6562 6.6562 6.7938 6.7938 8.3489 8.3489 8.5043 8.5043 9.2240 9.2240 10.5897 10.5897 12.4726 12.4726 12.8376 12.8376 13.6268 13.6268 k =-0.2206 0.3714 0.4319 ( 3155 PWs) bands (ev): -24.6835 -24.6835 -7.6339 -7.6339 -6.5908 -6.5908 -6.4353 -6.4353 0.7377 0.7377 2.4943 2.4943 4.7246 4.7246 5.7521 5.7521 5.8893 5.8893 6.1328 6.1328 6.2517 6.2517 6.3311 6.3311 6.4504 6.4504 6.5770 6.5770 6.6492 6.6492 6.6677 6.6677 6.8031 6.8031 8.2820 8.2820 8.4818 8.4818 9.2552 9.2552 10.4929 10.4929 12.4592 12.4592 12.8738 12.8738 13.7020 13.7020 k =-0.2139 0.3601 0.4188 ( 3147 PWs) bands (ev): -24.6837 -24.6837 -7.6325 -7.6325 -6.5884 -6.5884 -6.4353 -6.4353 0.6849 0.6849 2.5501 2.5501 4.7425 4.7425 5.7319 5.7319 5.8803 5.8803 6.1410 6.1410 6.2646 6.2646 6.3352 6.3352 6.4521 6.4521 6.5845 6.5845 6.6608 6.6608 6.6806 6.6806 6.8134 6.8134 8.2170 8.2170 8.4641 8.4641 9.2879 9.2879 10.3973 10.3973 12.4488 12.4488 12.8956 12.8956 13.7798 13.7798 k =-0.2072 0.3489 0.4057 ( 3153 PWs) bands (ev): -24.6838 -24.6838 -7.6310 -7.6310 -6.5856 -6.5856 -6.4354 -6.4354 0.6305 0.6305 2.6047 2.6047 4.7607 4.7607 5.7117 5.7117 5.8720 5.8720 6.1474 6.1474 6.2761 6.2761 6.3404 6.3404 6.4563 6.4563 6.5939 6.5939 6.6742 6.6742 6.6946 6.6946 6.8247 6.8247 8.1539 8.1539 8.4512 8.4512 9.3220 9.3220 10.3028 10.3028 12.4412 12.4412 12.9018 12.9018 13.8602 13.8602 k =-0.2005 0.3376 0.3927 ( 3153 PWs) bands (ev): -24.6840 -24.6840 -7.6293 -7.6293 -6.5825 -6.5825 -6.4356 -6.4356 0.5749 0.5749 2.6582 2.6582 4.7782 4.7782 5.6923 5.6923 5.8647 5.8647 6.1526 6.1526 6.2860 6.2860 6.3450 6.3450 6.4651 6.4651 6.6052 6.6052 6.6891 6.6891 6.7097 6.7097 6.8371 6.8371 8.0927 8.0927 8.4433 8.4433 9.3577 9.3577 10.2096 10.2096 12.4363 12.4363 12.8920 12.8920 13.9434 13.9434 k =-0.1938 0.3263 0.3796 ( 3153 PWs) bands (ev): -24.6843 -24.6843 -7.6275 -7.6275 -6.5789 -6.5789 -6.4359 -6.4359 0.5183 0.5183 2.7102 2.7102 4.7940 4.7940 5.6747 5.6747 5.8581 5.8581 6.1566 6.1566 6.2940 6.2940 6.3485 6.3485 6.4790 6.4790 6.6183 6.6183 6.7054 6.7054 6.7258 6.7258 6.8503 6.8503 8.0334 8.0334 8.4405 8.4405 9.3950 9.3950 10.1177 10.1177 12.4340 12.4340 12.8665 12.8665 14.0290 14.0290 k =-0.1872 0.3151 0.3665 ( 3145 PWs) bands (ev): -24.6845 -24.6845 -7.6254 -7.6254 -6.5750 -6.5750 -6.4363 -6.4363 0.4611 0.4611 2.7605 2.7605 4.8074 4.8074 5.6594 5.6594 5.8524 5.8524 6.1601 6.1601 6.2989 6.2989 6.3523 6.3523 6.4976 6.4976 6.6331 6.6331 6.7231 6.7231 6.7430 6.7430 6.8643 6.8643 7.9761 7.9761 8.4429 8.4429 9.4338 9.4338 10.0272 10.0272 12.4341 12.4341 12.8265 12.8265 14.1166 14.1166 k =-0.1805 0.3038 0.3534 ( 3149 PWs) bands (ev): -24.6848 -24.6848 -7.6232 -7.6232 -6.5708 -6.5708 -6.4367 -6.4367 0.4036 0.4036 2.8090 2.8090 4.8173 4.8173 5.6473 5.6473 5.8476 5.8476 6.1630 6.1630 6.2998 6.2998 6.3582 6.3582 6.5193 6.5193 6.6495 6.6495 6.7423 6.7423 6.7613 6.7613 6.8789 6.8789 7.9208 7.9208 8.4507 8.4507 9.4742 9.4742 9.9381 9.9381 12.4364 12.4364 12.7739 12.7739 14.2059 14.2059 k =-0.1738 0.2926 0.3403 ( 3149 PWs) bands (ev): -24.6850 -24.6850 -7.6210 -7.6210 -6.5663 -6.5663 -6.4372 -6.4372 0.3461 0.3461 2.8555 2.8555 4.8233 4.8233 5.6388 5.6388 5.8435 5.8435 6.1658 6.1658 6.2969 6.2969 6.3671 6.3671 6.5423 6.5423 6.6673 6.6673 6.7631 6.7631 6.7812 6.7812 6.8940 6.8940 7.8675 7.8675 8.4640 8.4640 9.5161 9.5161 9.8506 9.8506 12.4409 12.4409 12.7105 12.7105 14.2962 14.2962 k =-0.1671 0.2813 0.3272 ( 3141 PWs) bands (ev): -24.6853 -24.6853 -7.6186 -7.6186 -6.5615 -6.5615 -6.4377 -6.4377 0.2889 0.2889 2.8999 2.8999 4.8248 4.8248 5.6344 5.6344 5.8403 5.8403 6.1684 6.1684 6.2918 6.2918 6.3781 6.3781 6.5653 6.5653 6.6864 6.6864 6.7849 6.7849 6.8040 6.8040 6.9094 6.9094 7.8165 7.8165 8.4830 8.4830 9.5595 9.5595 9.7647 9.7647 12.4472 12.4472 12.6385 12.6385 14.3869 14.3869 k =-0.1604 0.2701 0.3141 ( 3143 PWs) bands (ev): -24.6856 -24.6856 -7.6161 -7.6161 -6.5564 -6.5564 -6.4382 -6.4382 0.2322 0.2322 2.9420 2.9420 4.8216 4.8216 5.6340 5.6340 5.8378 5.8378 6.1705 6.1705 6.2861 6.2861 6.3904 6.3904 6.5871 6.5871 6.7061 6.7061 6.8065 6.8065 6.8314 6.8314 6.9251 6.9251 7.7677 7.7677 8.5078 8.5078 9.6041 9.6041 9.6806 9.6806 12.4551 12.4551 12.5598 12.5598 14.4773 14.4773 k =-0.1537 0.2588 0.3010 ( 3137 PWs) bands (ev): -24.6859 -24.6859 -7.6135 -7.6135 -6.5511 -6.5511 -6.4387 -6.4387 0.1762 0.1762 2.9817 2.9817 4.8140 4.8140 5.6375 5.6375 5.8360 5.8360 6.1717 6.1717 6.2811 6.2811 6.4036 6.4036 6.6072 6.6072 6.7260 6.7260 6.8274 6.8274 6.8646 6.8646 6.9409 6.9409 7.7214 7.7214 8.5385 8.5385 9.5964 9.5964 9.6520 9.6520 12.4642 12.4642 12.4762 12.4762 14.5671 14.5671 k =-0.1470 0.2476 0.2880 ( 3145 PWs) bands (ev): -24.6863 -24.6863 -7.6110 -7.6110 -6.5456 -6.5456 -6.4392 -6.4392 0.1212 0.1212 3.0189 3.0189 4.8022 4.8022 5.6444 5.6444 5.8350 5.8350 6.1714 6.1714 6.2781 6.2781 6.4170 6.4170 6.6252 6.6252 6.7456 6.7456 6.8479 6.8479 6.9025 6.9025 6.9568 6.9568 7.6782 7.6782 8.5753 8.5753 9.5160 9.5160 9.6992 9.6992 12.3887 12.3887 12.4746 12.4746 14.6554 14.6554 k =-0.1404 0.2363 0.2749 ( 3149 PWs) bands (ev): -24.6866 -24.6866 -7.6084 -7.6084 -6.5400 -6.5400 -6.4397 -6.4397 0.0673 0.0673 3.0536 3.0536 4.7868 4.7868 5.6543 5.6543 5.8346 5.8346 6.1690 6.1690 6.2780 6.2780 6.4306 6.4306 6.6415 6.6415 6.7644 6.7644 6.8684 6.8684 6.9432 6.9432 6.9740 6.9740 7.6384 7.6384 8.6180 8.6180 9.4368 9.4368 9.7481 9.7481 12.2991 12.2991 12.4854 12.4854 14.7414 14.7414 k =-0.1337 0.2251 0.2618 ( 3153 PWs) bands (ev): -24.6870 -24.6870 -7.6058 -7.6058 -6.5343 -6.5343 -6.4402 -6.4402 0.0148 0.0148 3.0857 3.0857 4.7683 4.7683 5.6663 5.6663 5.8351 5.8351 6.1644 6.1644 6.2812 6.2812 6.4440 6.4440 6.6561 6.6561 6.7825 6.7825 6.8890 6.8890 6.9766 6.9766 7.0007 7.0007 7.6033 7.6033 8.6668 8.6668 9.3594 9.3594 9.7982 9.7982 12.2081 12.2081 12.4962 12.4962 14.7075 14.7075 k =-0.1270 0.2138 0.2487 ( 3147 PWs) bands (ev): -24.6873 -24.6873 -7.6032 -7.6032 -6.5286 -6.5286 -6.4405 -6.4405 -0.0362 -0.0362 3.1153 3.1153 4.7476 4.7476 5.6800 5.6800 5.8362 5.8362 6.1575 6.1575 6.2876 6.2876 6.4574 6.4574 6.6693 6.6693 6.7997 6.7997 6.9099 6.9099 6.9949 6.9949 7.0425 7.0425 7.5743 7.5743 8.7215 8.7215 9.2839 9.2839 9.8493 9.8493 12.1166 12.1166 12.5065 12.5065 14.5503 14.5503 k =-0.1203 0.2026 0.2356 ( 3139 PWs) bands (ev): -24.6876 -24.6876 -7.6006 -7.6006 -6.5230 -6.5230 -6.4407 -6.4407 -0.0855 -0.0855 3.1424 3.1424 4.7251 4.7251 5.6945 5.6945 5.8382 5.8382 6.1491 6.1491 6.2968 6.2968 6.4705 6.4705 6.6813 6.6813 6.8161 6.8161 6.9307 6.9307 7.0093 7.0093 7.0854 7.0854 7.5540 7.5540 8.7821 8.7821 9.2103 9.2103 9.9012 9.9012 12.0252 12.0252 12.5154 12.5154 14.3905 14.3905 k =-0.1136 0.1913 0.2225 ( 3141 PWs) bands (ev): -24.6880 -24.6880 -7.5981 -7.5981 -6.5174 -6.5174 -6.4408 -6.4408 -0.1330 -0.1330 3.1671 3.1671 4.7015 4.7015 5.7095 5.7095 5.8408 5.8408 6.1394 6.1394 6.3083 6.3083 6.4833 6.4833 6.6923 6.6923 6.8315 6.8315 6.9513 6.9513 7.0224 7.0224 7.1226 7.1226 7.5460 7.5460 8.8481 8.8481 9.1388 9.1388 9.9538 9.9538 11.9344 11.9344 12.5221 12.5221 14.2317 14.2317 k =-0.1069 0.1801 0.2094 ( 3147 PWs) bands (ev): -24.6883 -24.6883 -7.5957 -7.5957 -6.5120 -6.5120 -6.4407 -6.4407 -0.1785 -0.1785 3.1893 3.1893 4.6773 4.6773 5.7245 5.7245 5.8441 5.8441 6.1289 6.1289 6.3216 6.3216 6.4956 6.4956 6.7023 6.7023 6.8458 6.8458 6.9714 6.9714 7.0347 7.0347 7.1493 7.1493 7.5544 7.5544 8.9195 8.9195 9.0694 9.0694 10.0067 10.0067 11.8444 11.8444 12.5251 12.5251 14.0768 14.0768 k =-0.1003 0.1688 0.1963 ( 3139 PWs) bands (ev): -24.6886 -24.6886 -7.5933 -7.5933 -6.5069 -6.5069 -6.4404 -6.4404 -0.2219 -0.2219 3.2094 3.2094 4.6529 4.6529 5.7390 5.7390 5.8481 5.8481 6.1180 6.1180 6.3364 6.3364 6.5077 6.5077 6.7116 6.7116 6.8592 6.8592 6.9902 6.9902 7.0463 7.0463 7.1635 7.1635 7.5815 7.5815 8.9915 8.9915 9.0066 9.0066 10.0598 10.0598 11.7556 11.7556 12.5231 12.5231 13.9284 13.9284 k =-0.0936 0.1575 0.1832 ( 3137 PWs) bands (ev): -24.6890 -24.6890 -7.5911 -7.5911 -6.5021 -6.5021 -6.4398 -6.4398 -0.2631 -0.2631 3.2273 3.2273 4.6288 4.6288 5.7529 5.7529 5.8529 5.8529 6.1068 6.1068 6.3522 6.3522 6.5192 6.5192 6.7201 6.7201 6.8714 6.8714 7.0070 7.0070 7.0570 7.0570 7.1669 7.1669 7.6258 7.6258 8.9366 8.9366 9.0778 9.0778 10.1128 10.1128 11.6680 11.6680 12.5139 12.5139 13.7896 13.7896 k =-0.0869 0.1463 0.1702 ( 3137 PWs) bands (ev): -24.6893 -24.6893 -7.5889 -7.5889 -6.4978 -6.4978 -6.4390 -6.4390 -0.3020 -0.3020 3.2432 3.2432 4.6052 4.6052 5.7659 5.7659 5.8583 5.8583 6.0956 6.0956 6.3690 6.3690 6.5303 6.5303 6.7280 6.7280 6.8825 6.8825 7.0207 7.0207 7.0653 7.0653 7.1652 7.1652 7.6834 7.6834 8.8744 8.8744 9.1629 9.1629 10.1652 10.1652 11.5817 11.5817 12.4953 12.4953 13.6635 13.6635 k =-0.0802 0.1350 0.1571 ( 3133 PWs) bands (ev): -24.6896 -24.6896 -7.5869 -7.5869 -6.4939 -6.4939 -6.4378 -6.4378 -0.3384 -0.3384 3.2572 3.2572 4.5825 4.5825 5.7778 5.7778 5.8644 5.8644 6.0844 6.0844 6.3865 6.3865 6.5411 6.5411 6.7352 6.7352 6.8924 6.8924 7.0303 7.0303 7.0689 7.0689 7.1653 7.1653 7.7501 7.7501 8.8146 8.8146 9.2519 9.2519 10.2168 10.2168 11.4966 11.4966 12.4651 12.4651 13.5532 13.5532 k =-0.0735 0.1238 0.1440 ( 3133 PWs) bands (ev): -24.6899 -24.6899 -7.5850 -7.5850 -6.4906 -6.4906 -6.4363 -6.4363 -0.3722 -0.3722 3.2695 3.2695 4.5609 4.5609 5.7886 5.7886 5.8710 5.8710 6.0734 6.0734 6.4043 6.4043 6.5514 6.5514 6.7417 6.7417 6.9007 6.9007 7.0335 7.0335 7.0680 7.0680 7.1723 7.1723 7.8224 7.8224 8.7577 8.7577 9.3442 9.3442 10.2672 10.2672 11.4126 11.4126 12.4215 12.4215 13.4610 13.4610 k =-0.0668 0.1125 0.1309 ( 3129 PWs) bands (ev): -24.6901 -24.6901 -7.5832 -7.5832 -6.4878 -6.4878 -6.4345 -6.4345 -0.4035 -0.4035 3.2802 3.2802 4.5405 4.5405 5.7983 5.7983 5.8779 5.8779 6.0626 6.0626 6.4223 6.4223 6.5615 6.5615 6.7477 6.7477 6.9073 6.9073 7.0271 7.0271 7.0678 7.0678 7.1857 7.1857 7.8976 7.8976 8.7039 8.7039 9.4392 9.4392 10.3158 10.3158 11.3296 11.3296 12.3645 12.3645 13.3881 13.3881 k =-0.0602 0.1013 0.1178 ( 3121 PWs) bands (ev): -24.6904 -24.6904 -7.5816 -7.5816 -6.4855 -6.4855 -6.4325 -6.4325 -0.4320 -0.4320 3.2894 3.2894 4.5217 4.5217 5.8070 5.8070 5.8850 5.8850 6.0523 6.0523 6.4402 6.4402 6.5714 6.5714 6.7531 6.7531 6.9115 6.9115 7.0133 7.0133 7.0704 7.0704 7.2032 7.2032 7.9738 7.9738 8.6533 8.6533 9.5363 9.5363 10.3622 10.3622 11.2474 11.2474 12.2956 12.2956 13.3337 13.3337 k =-0.0535 0.0900 0.1047 ( 3115 PWs) bands (ev): -24.6906 -24.6906 -7.5801 -7.5801 -6.4836 -6.4836 -6.4303 -6.4303 -0.4577 -0.4577 3.2973 3.2973 4.5045 4.5045 5.8148 5.8148 5.8921 5.8921 6.0424 6.0424 6.4576 6.4576 6.5813 6.5813 6.7579 6.7579 6.9120 6.9120 6.9979 6.9979 7.0738 7.0738 7.2224 7.2224 8.0490 8.0490 8.6064 8.6064 9.6349 9.6349 10.4058 10.4058 11.1656 11.1656 12.2185 12.2185 13.2951 13.2951 k =-0.0468 0.0788 0.0916 ( 3107 PWs) bands (ev): -24.6908 -24.6908 -7.5788 -7.5788 -6.4822 -6.4822 -6.4281 -6.4281 -0.4806 -0.4806 3.3039 3.3039 4.4890 4.4890 5.8217 5.8217 5.8990 5.8990 6.0330 6.0330 6.4742 6.4742 6.5914 6.5914 6.7622 6.7622 6.9070 6.9070 6.9853 6.9853 7.0772 7.0772 7.2418 7.2418 8.1215 8.1215 8.5635 8.5635 9.7343 9.7343 10.4461 10.4461 11.0840 11.0840 12.1374 12.1374 13.2692 13.2692 k =-0.0401 0.0675 0.0785 ( 3107 PWs) bands (ev): -24.6910 -24.6910 -7.5777 -7.5777 -6.4811 -6.4811 -6.4260 -6.4260 -0.5005 -0.5005 3.3095 3.3095 4.4754 4.4754 5.8278 5.8278 5.9054 5.9054 6.0242 6.0242 6.4895 6.4895 6.6018 6.6018 6.7659 6.7659 6.8957 6.8957 6.9777 6.9777 7.0801 7.0801 7.2606 7.2606 8.1895 8.1895 8.5251 8.5251 9.8339 9.8339 10.4826 10.4826 11.0024 11.0024 12.0570 12.0570 13.2527 13.2527 k =-0.0334 0.0563 0.0654 ( 3099 PWs) bands (ev): -24.6911 -24.6911 -7.5767 -7.5767 -6.4803 -6.4803 -6.4240 -6.4240 -0.5174 -0.5174 3.3140 3.3140 4.4638 4.4638 5.8332 5.8332 5.9114 5.9114 6.0160 6.0160 6.5030 6.5030 6.6127 6.6127 6.7690 6.7690 6.8798 6.8798 6.9745 6.9745 7.0825 7.0825 7.2780 7.2780 8.2512 8.2512 8.4915 8.4915 9.9326 9.9326 10.5146 10.5146 10.9209 10.9209 11.9813 11.9813 13.2427 13.2427 k =-0.0267 0.0450 0.0524 ( 3097 PWs) bands (ev): -24.6912 -24.6912 -7.5759 -7.5759 -6.4797 -6.4797 -6.4223 -6.4223 -0.5314 -0.5314 3.3176 3.3176 4.4542 4.4542 5.8377 5.8377 5.9167 5.9167 6.0088 6.0088 6.5143 6.5143 6.6240 6.6240 6.7716 6.7716 6.8619 6.8619 6.9739 6.9739 7.0845 7.0845 7.2932 7.2932 8.3047 8.3047 8.4633 8.4633 10.0294 10.0294 10.5416 10.5416 10.8396 10.8396 11.9141 11.9141 13.2371 13.2371 k =-0.0201 0.0338 0.0393 ( 3095 PWs) bands (ev): -24.6913 -24.6913 -7.5753 -7.5753 -6.4793 -6.4793 -6.4209 -6.4209 -0.5423 -0.5423 3.3203 3.3203 4.4466 4.4466 5.8413 5.8413 5.9212 5.9212 6.0027 6.0027 6.5232 6.5232 6.6352 6.6352 6.7736 6.7736 6.8445 6.8445 6.9743 6.9743 7.0860 7.0860 7.3057 7.3057 8.3481 8.3481 8.4413 8.4413 10.1225 10.1225 10.5631 10.5631 10.7597 10.7597 11.8584 11.8584 13.2342 13.2342 k =-0.0134 0.0225 0.0262 ( 3097 PWs) bands (ev): -24.6914 -24.6914 -7.5749 -7.5749 -6.4791 -6.4791 -6.4199 -6.4199 -0.5500 -0.5500 3.3222 3.3222 4.4412 4.4412 5.8440 5.8440 5.9247 5.9247 5.9980 5.9980 6.5295 6.5295 6.6453 6.6453 6.7750 6.7750 6.8296 6.8296 6.9749 6.9749 7.0870 7.0870 7.3150 7.3150 8.3791 8.3791 8.4265 8.4265 10.2083 10.2083 10.5782 10.5782 10.6843 10.6843 11.8168 11.8168 13.2329 13.2329 k =-0.0067 0.0113 0.0131 ( 3093 PWs) bands (ev): -24.6915 -24.6915 -7.5746 -7.5746 -6.4789 -6.4789 -6.4192 -6.4192 -0.5547 -0.5547 3.3233 3.3233 4.4379 4.4379 5.8456 5.8456 5.9270 5.9270 5.9950 5.9950 6.5332 6.5332 6.6525 6.6525 6.7758 6.7758 6.8194 6.8194 6.9753 6.9753 7.0876 7.0876 7.3208 7.3208 8.3945 8.3945 8.4213 8.4213 10.2775 10.2775 10.5847 10.5847 10.6242 10.6242 11.7910 11.7910 13.2323 13.2323 k = 0.0000 0.0000 0.0000 ( 3093 PWs) bands (ev): -24.6915 -24.6915 -7.5745 -7.5745 -6.4789 -6.4789 -6.4190 -6.4190 -0.5563 -0.5563 3.3237 3.3237 4.4368 4.4368 5.8462 5.8462 5.9278 5.9278 5.9940 5.9940 6.5344 6.5344 6.6552 6.6552 6.7761 6.7761 6.8157 6.8157 6.9755 6.9755 7.0878 7.0878 7.3228 7.3228 8.3971 8.3971 8.4221 8.4221 10.3074 10.3074 10.5792 10.5792 10.6051 10.6051 11.7822 11.7822 13.2322 13.2322 k = 0.0000 0.0000 0.0000 ( 3093 PWs) bands (ev): -24.6915 -24.6915 -7.5745 -7.5745 -6.4789 -6.4789 -6.4190 -6.4190 -0.5563 -0.5563 3.3237 3.3237 4.4368 4.4368 5.8462 5.8462 5.9278 5.9278 5.9940 5.9940 6.5344 6.5344 6.6552 6.6552 6.7761 6.7761 6.8157 6.8157 6.9755 6.9755 7.0878 7.0878 7.3228 7.3228 8.3971 8.3971 8.4221 8.4221 10.3074 10.3074 10.5792 10.5792 10.6051 10.6051 11.7822 11.7822 13.2322 13.2322 k = 0.0156 0.0093 0.0000 ( 3093 PWs) bands (ev): -24.6915 -24.6915 -7.5746 -7.5746 -6.4790 -6.4790 -6.4190 -6.4190 -0.5548 -0.5548 3.3146 3.3146 4.4443 4.4443 5.8462 5.8462 5.9278 5.9278 5.9940 5.9940 6.5338 6.5338 6.6550 6.6550 6.7756 6.7756 6.8099 6.8099 6.9755 6.9755 7.0966 7.0966 7.3231 7.3231 8.3967 8.3967 8.4215 8.4215 10.3055 10.3055 10.5824 10.5824 10.6082 10.6082 11.7874 11.7874 13.2224 13.2224 k = 0.0312 0.0186 0.0000 ( 3089 PWs) bands (ev): -24.6915 -24.6915 -7.5747 -7.5747 -6.4792 -6.4792 -6.4190 -6.4190 -0.5502 -0.5502 3.2883 3.2883 4.4659 4.4659 5.8461 5.8461 5.9278 5.9278 5.9941 5.9941 6.5321 6.5321 6.6544 6.6544 6.7740 6.7740 6.7944 6.7944 6.9755 6.9755 7.1211 7.1211 7.3241 7.3241 8.3953 8.3953 8.4196 8.4196 10.2999 10.2999 10.5918 10.5918 10.6174 10.6174 11.8029 11.8029 13.1943 13.1943 k = 0.0469 0.0278 0.0000 ( 3089 PWs) bands (ev): -24.6915 -24.6915 -7.5749 -7.5749 -6.4797 -6.4797 -6.4190 -6.4190 -0.5425 -0.5425 3.2467 3.2467 4.4994 4.4994 5.8460 5.8460 5.9279 5.9279 5.9943 5.9943 6.5290 6.5290 6.6534 6.6534 6.7713 6.7713 6.7731 6.7731 6.9755 6.9755 7.1569 7.1569 7.3263 7.3263 8.3930 8.3930 8.4165 8.4165 10.2908 10.2908 10.6074 10.6074 10.6325 10.6325 11.8284 11.8284 13.1513 13.1513 k = 0.0625 0.0371 0.0000 ( 3097 PWs) bands (ev): -24.6914 -24.6914 -7.5751 -7.5751 -6.4804 -6.4804 -6.4191 -6.4191 -0.5318 -0.5318 3.1925 3.1925 4.5422 4.5422 5.8458 5.8458 5.9278 5.9278 5.9945 5.9945 6.5245 6.5245 6.6520 6.6520 6.7492 6.7492 6.7678 6.7678 6.9755 6.9755 7.1999 7.1999 7.3308 7.3308 8.3900 8.3900 8.4123 8.4123 10.2787 10.2787 10.6290 10.6290 10.6536 10.6536 11.8635 11.8635 13.0973 13.0973 k = 0.0781 0.0464 0.0000 ( 3097 PWs) bands (ev): -24.6914 -24.6914 -7.5754 -7.5754 -6.4812 -6.4812 -6.4191 -6.4191 -0.5181 -0.5181 3.1284 3.1284 4.5913 4.5913 5.8456 5.8456 5.9279 5.9279 5.9948 5.9948 6.5185 6.5185 6.6501 6.6501 6.7251 6.7251 6.7632 6.7632 6.9754 6.9754 7.2440 7.2440 7.3419 7.3419 8.3862 8.3862 8.4071 8.4071 10.2639 10.2639 10.6566 10.6566 10.6804 10.6804 11.9076 11.9076 13.0358 13.0358 k = 0.0938 0.0557 0.0000 ( 3101 PWs) bands (ev): -24.6914 -24.6914 -7.5758 -7.5758 -6.4822 -6.4822 -6.4191 -6.4191 -0.5015 -0.5015 3.0568 3.0568 4.6443 4.6443 5.8454 5.8454 5.9280 5.9280 5.9951 5.9951 6.5106 6.5106 6.6479 6.6479 6.7020 6.7020 6.7577 6.7577 6.9754 6.9754 7.2779 7.2779 7.3698 7.3698 8.3819 8.3819 8.4010 8.4010 10.2472 10.2472 10.6899 10.6899 10.7129 10.7129 11.9603 11.9603 12.9696 12.9696 k = 0.1094 0.0650 0.0000 ( 3101 PWs) bands (ev): -24.6914 -24.6914 -7.5763 -7.5763 -6.4833 -6.4833 -6.4192 -6.4192 -0.4818 -0.4818 2.9794 2.9794 4.6993 4.6993 5.8451 5.8451 5.9282 5.9282 5.9955 5.9955 6.5010 6.5010 6.6453 6.6453 6.6807 6.6807 6.7513 6.7513 6.9753 6.9753 7.2943 7.2943 7.4215 7.4215 8.3770 8.3770 8.3942 8.3942 10.2289 10.2289 10.7288 10.7288 10.7506 10.7506 12.0208 12.0208 12.9008 12.9008 k = 0.1250 0.0742 0.0000 ( 3117 PWs) bands (ev): -24.6914 -24.6914 -7.5768 -7.5768 -6.4846 -6.4846 -6.4192 -6.4192 -0.4592 -0.4592 2.8978 2.8978 4.7545 4.7545 5.8447 5.8447 5.9283 5.9283 5.9959 5.9959 6.4892 6.4892 6.6421 6.6421 6.6615 6.6615 6.7442 6.7442 6.9751 6.9751 7.3011 7.3011 7.4889 7.4889 8.3718 8.3718 8.3869 8.3869 10.2095 10.2095 10.7729 10.7729 10.7936 10.7936 12.0887 12.0887 12.8309 12.8309 k = 0.1406 0.0835 0.0000 ( 3121 PWs) bands (ev): -24.6914 -24.6914 -7.5774 -7.5774 -6.4860 -6.4860 -6.4193 -6.4193 -0.4338 -0.4338 2.8132 2.8132 4.8087 4.8087 5.8445 5.8445 5.9285 5.9285 5.9964 5.9964 6.4757 6.4757 6.6387 6.6387 6.6449 6.6449 6.7364 6.7364 6.9750 6.9750 7.3044 7.3044 7.5657 7.5657 8.3663 8.3663 8.3792 8.3792 10.1895 10.1895 10.8220 10.8220 10.8415 10.8415 12.1634 12.1634 12.7611 12.7611 k = 0.1562 0.0928 0.0000 ( 3129 PWs) bands (ev): -24.6914 -24.6914 -7.5780 -7.5780 -6.4876 -6.4876 -6.4193 -6.4193 -0.4055 -0.4055 2.7262 2.7262 4.8610 4.8610 5.8441 5.8441 5.9287 5.9287 5.9969 5.9969 6.4606 6.4606 6.6305 6.6305 6.6351 6.6351 6.7280 6.7280 6.9749 6.9749 7.3061 7.3061 7.6499 7.6499 8.3607 8.3607 8.3714 8.3714 10.1692 10.1692 10.8759 10.8759 10.8941 10.8941 12.2444 12.2444 12.6920 12.6920 k = 0.1719 0.1021 0.0000 ( 3129 PWs) bands (ev): -24.6913 -24.6913 -7.5787 -7.5787 -6.4892 -6.4892 -6.4194 -6.4194 -0.3744 -0.3744 2.6377 2.6377 4.9107 4.9107 5.8438 5.8438 5.9291 5.9291 5.9975 5.9975 6.4443 6.4443 6.6182 6.6182 6.6311 6.6311 6.7191 6.7191 6.9748 6.9748 7.3072 7.3072 7.7407 7.7407 8.3550 8.3550 8.3635 8.3635 10.1489 10.1489 10.9342 10.9342 10.9511 10.9511 12.3312 12.3312 12.6245 12.6245 k = 0.1875 0.1114 0.0000 ( 3129 PWs) bands (ev): -24.6913 -24.6913 -7.5794 -7.5794 -6.4909 -6.4909 -6.4195 -6.4195 -0.3406 -0.3406 2.5482 2.5482 4.9571 4.9571 5.8435 5.8435 5.9296 5.9296 5.9980 5.9980 6.4273 6.4273 6.6076 6.6076 6.6268 6.6268 6.7098 6.7098 6.9746 6.9746 7.3079 7.3079 7.8377 7.8377 8.3493 8.3493 8.3558 8.3558 10.1290 10.1290 10.9968 10.9968 11.0124 11.0124 12.4235 12.4235 12.5589 12.5589 k = 0.2031 0.1207 0.0000 ( 3120 PWs) bands (ev): -24.6913 -24.6913 -7.5801 -7.5801 -6.4927 -6.4927 -6.4195 -6.4195 -0.3042 -0.3042 2.4580 2.4580 5.0000 5.0000 5.8433 5.8433 5.9302 5.9302 5.9986 5.9986 6.4101 6.4101 6.5985 6.5985 6.6223 6.6223 6.7002 6.7002 6.9745 6.9745 7.3083 7.3083 7.9407 7.9407 8.3435 8.3435 8.3486 8.3486 10.1095 10.1095 11.0633 11.0633 11.0775 11.0775 12.4956 12.4956 12.5210 12.5210 k = 0.2188 0.1299 0.0000 ( 3132 PWs) bands (ev): -24.6913 -24.6913 -7.5809 -7.5809 -6.4945 -6.4945 -6.4196 -6.4196 -0.2651 -0.2651 2.3675 2.3675 5.0391 5.0391 5.8429 5.8429 5.9307 5.9307 5.9992 5.9992 6.3930 6.3930 6.5903 6.5903 6.6176 6.6176 6.6902 6.6902 6.9743 6.9743 7.3086 7.3086 8.0493 8.0493 8.3374 8.3374 8.3423 8.3423 10.0906 10.0906 11.1334 11.1334 11.1464 11.1464 12.4350 12.4350 12.6232 12.6232 k = 0.2344 0.1392 0.0000 ( 3140 PWs) bands (ev): -24.6913 -24.6913 -7.5816 -7.5816 -6.4964 -6.4964 -6.4197 -6.4197 -0.2235 -0.2235 2.2769 2.2769 5.0743 5.0743 5.8427 5.8427 5.9314 5.9314 5.9998 5.9998 6.3762 6.3762 6.5828 6.5828 6.6126 6.6126 6.6803 6.6803 6.9740 6.9740 7.3088 7.3088 8.1631 8.1631 8.3311 8.3311 8.3370 8.3370 10.0726 10.0726 11.2068 11.2068 11.2186 11.2186 12.3772 12.3772 12.7298 12.7298 k = 0.2500 0.1485 0.0000 ( 3160 PWs) bands (ev): -24.6912 -24.6912 -7.5824 -7.5824 -6.4983 -6.4983 -6.4198 -6.4198 -0.1794 -0.1794 2.1864 2.1864 5.1056 5.1056 5.8424 5.8424 5.9322 5.9322 6.0004 6.0004 6.3602 6.3602 6.5759 6.5759 6.6074 6.6074 6.6701 6.6701 6.9737 6.9737 7.3089 7.3089 8.2807 8.2807 8.3260 8.3260 8.3325 8.3325 10.0554 10.0554 11.2832 11.2832 11.2938 11.2938 12.3223 12.3223 12.8407 12.8407 k = 0.2656 0.1578 0.0000 ( 3152 PWs) bands (ev): -24.6912 -24.6912 -7.5832 -7.5832 -6.5001 -6.5001 -6.4198 -6.4198 -0.1330 -0.1330 2.0963 2.0963 5.1331 5.1331 5.8422 5.8422 5.9332 5.9332 6.0010 6.0010 6.3451 6.3451 6.5696 6.5696 6.6023 6.6023 6.6603 6.6603 6.9735 6.9735 7.3092 7.3092 8.3169 8.3169 8.3282 8.3282 8.4076 8.4076 10.0392 10.0392 11.3622 11.3622 11.3718 11.3718 12.2706 12.2706 12.9554 12.9554 k = 0.2812 0.1671 0.0000 ( 3140 PWs) bands (ev): -24.6912 -24.6912 -7.5840 -7.5840 -6.5020 -6.5020 -6.4199 -6.4199 -0.0842 -0.0842 2.0067 2.0067 5.1569 5.1569 5.8422 5.8422 5.9343 5.9343 6.0016 6.0016 6.3310 6.3310 6.5638 6.5638 6.5972 6.5972 6.6505 6.6505 6.9734 6.9734 7.3093 7.3093 8.3117 8.3117 8.3247 8.3247 8.5350 8.5350 10.0240 10.0240 11.4435 11.4435 11.4522 11.4522 12.2221 12.2221 13.0737 13.0737 k = 0.2969 0.1763 0.0000 ( 3140 PWs) bands (ev): -24.6912 -24.6912 -7.5847 -7.5847 -6.5037 -6.5037 -6.4200 -6.4200 -0.0332 -0.0332 1.9177 1.9177 5.1773 5.1773 5.8421 5.8421 5.9355 5.9355 6.0022 6.0022 6.3179 6.3179 6.5582 6.5582 6.5922 6.5922 6.6410 6.6410 6.9732 6.9732 7.3093 7.3093 8.3065 8.3065 8.3216 8.3216 8.6664 8.6664 10.0098 10.0098 11.5267 11.5267 11.5345 11.5345 12.1770 12.1770 13.1954 13.1954 k = 0.3125 0.1856 0.0000 ( 3156 PWs) bands (ev): -24.6911 -24.6911 -7.5855 -7.5855 -6.5055 -6.5055 -6.4201 -6.4201 0.0199 0.0199 1.8294 1.8294 5.1945 5.1945 5.8420 5.8420 5.9366 5.9366 6.0027 6.0027 6.3059 6.3059 6.5530 6.5530 6.5871 6.5871 6.6319 6.6319 6.9731 6.9731 7.3092 7.3092 8.3017 8.3017 8.3189 8.3189 8.8009 8.8009 9.9967 9.9967 11.6111 11.6111 11.6183 11.6183 12.1351 12.1351 13.3200 13.3200 k = 0.3281 0.1949 0.0000 ( 3164 PWs) bands (ev): -24.6911 -24.6911 -7.5862 -7.5862 -6.5071 -6.5071 -6.4201 -6.4201 0.0751 0.0751 1.7419 1.7419 5.2087 5.2087 5.8418 5.8418 5.9377 5.9377 6.0033 6.0033 6.2951 6.2951 6.5481 6.5481 6.5823 6.5823 6.6231 6.6231 6.9729 6.9729 7.3091 7.3091 8.2974 8.2974 8.3166 8.3166 8.9376 8.9376 9.9846 9.9846 11.6964 11.6964 11.7030 11.7030 12.0967 12.0967 13.4473 13.4473 k = 0.3438 0.2042 0.0000 ( 3176 PWs) bands (ev): -24.6911 -24.6911 -7.5868 -7.5868 -6.5087 -6.5087 -6.4202 -6.4202 0.1322 0.1322 1.6554 1.6554 5.2204 5.2204 5.8418 5.8418 5.9389 5.9389 6.0037 6.0037 6.2854 6.2854 6.5435 6.5435 6.5775 6.5775 6.6148 6.6148 6.9727 6.9727 7.3091 7.3091 8.2935 8.2935 8.3147 8.3147 9.0755 9.0755 9.9736 9.9736 11.7817 11.7817 11.7879 11.7879 12.0619 12.0619 13.5767 13.5767 k = 0.3594 0.2135 0.0000 ( 3172 PWs) bands (ev): -24.6911 -24.6911 -7.5875 -7.5875 -6.5102 -6.5102 -6.4203 -6.4203 0.1911 0.1911 1.5700 1.5700 5.2298 5.2298 5.8419 5.8419 5.9402 5.9402 6.0041 6.0041 6.2769 6.2769 6.5393 6.5393 6.5732 6.5732 6.6073 6.6073 6.9724 6.9724 7.3091 7.3091 8.2902 8.2902 8.3131 8.3131 9.2135 9.2135 9.9637 9.9638 11.8660 11.8660 11.8723 11.8723 12.0308 12.0308 13.7036 13.7036 k = 0.3750 0.2227 0.0000 ( 3180 PWs) bands (ev): -24.6911 -24.6911 -7.5881 -7.5881 -6.5115 -6.5115 -6.4203 -6.4203 0.2517 0.2517 1.4857 1.4857 5.2372 5.2372 5.8419 5.8419 5.9414 5.9414 6.0046 6.0046 6.2693 6.2693 6.5354 6.5354 6.5692 6.5692 6.6000 6.6000 6.9723 6.9723 7.3091 7.3091 8.2872 8.2872 8.3119 8.3119 9.3502 9.3502 9.9549 9.9549 11.9464 11.9464 11.9546 11.9546 12.0062 12.0062 13.5220 13.5220 k = 0.3906 0.2320 0.0000 ( 3176 PWs) bands (ev): -24.6911 -24.6911 -7.5886 -7.5886 -6.5127 -6.5127 -6.4204 -6.4204 0.3137 0.3137 1.4029 1.4029 5.2430 5.2430 5.8420 5.8420 5.9426 5.9426 6.0050 6.0050 6.2629 6.2629 6.5320 6.5320 6.5655 6.5655 6.5935 6.5935 6.9722 6.9722 7.3091 7.3091 8.2847 8.2847 8.3108 8.3108 9.4836 9.4836 9.9471 9.9471 11.9710 11.9710 12.0328 12.0328 12.0393 12.0393 13.3466 13.3466 k = 0.4062 0.2413 0.0000 ( 3176 PWs) bands (ev): -24.6910 -24.6910 -7.5890 -7.5890 -6.5138 -6.5138 -6.4204 -6.4204 0.3769 0.3769 1.3217 1.3217 5.2474 5.2474 5.8420 5.8420 5.9436 5.9436 6.0053 6.0053 6.2574 6.2574 6.5290 6.5290 6.5624 6.5624 6.5877 6.5877 6.9721 6.9721 7.3091 7.3091 8.2826 8.2826 8.3100 8.3100 9.6116 9.6116 9.9404 9.9404 11.9523 11.9523 12.1082 12.1082 12.1137 12.1137 13.1810 13.1810 k = 0.4219 0.2506 0.0000 ( 3172 PWs) bands (ev): -24.6910 -24.6910 -7.5894 -7.5894 -6.5147 -6.5147 -6.4204 -6.4204 0.4409 0.4409 1.2425 1.2425 5.2506 5.2506 5.8421 5.8421 5.9446 5.9446 6.0058 6.0058 6.2529 6.2529 6.5264 6.5264 6.5597 6.5597 6.5827 6.5827 6.9720 6.9720 7.3090 7.3090 8.2809 8.2809 8.3094 8.3094 9.7313 9.7313 9.9348 9.9348 11.9349 11.9349 12.1782 12.1782 12.1837 12.1837 13.0288 13.0288 k = 0.4375 0.2599 0.0000 ( 3164 PWs) bands (ev): -24.6910 -24.6910 -7.5898 -7.5898 -6.5155 -6.5155 -6.4205 -6.4205 0.5050 0.5050 1.1660 1.1660 5.2530 5.2530 5.8423 5.8423 5.9455 5.9455 6.0060 6.0060 6.2493 6.2493 6.5243 6.5243 6.5574 6.5574 6.5786 6.5786 6.9719 6.9719 7.3090 7.3090 8.2796 8.2796 8.3090 8.3090 9.8389 9.8389 9.9302 9.9302 11.9205 11.9205 12.2405 12.2405 12.2460 12.2460 12.8940 12.8940 k = 0.4531 0.2691 0.0000 ( 3156 PWs) bands (ev): -24.6910 -24.6910 -7.5900 -7.5900 -6.5161 -6.5161 -6.4205 -6.4205 0.5678 0.5678 1.0935 1.0935 5.2546 5.2546 5.8424 5.8424 5.9462 5.9462 6.0062 6.0062 6.2465 6.2465 6.5226 6.5226 6.5557 6.5557 6.5754 6.5754 6.9719 6.9719 7.3090 7.3090 8.2785 8.2785 8.3086 8.3086 9.9266 9.9266 9.9302 9.9302 11.9093 11.9093 12.2926 12.2926 12.2981 12.2981 12.7812 12.7812 k = 0.4688 0.2784 0.0000 ( 3156 PWs) bands (ev): -24.6910 -24.6910 -7.5902 -7.5902 -6.5165 -6.5165 -6.4205 -6.4205 0.6264 0.6264 1.0281 1.0281 5.2557 5.2557 5.8424 5.8424 5.9467 5.9467 6.0063 6.0063 6.2445 6.2445 6.5214 6.5214 6.5545 6.5545 6.5730 6.5730 6.9719 6.9719 7.3090 7.3090 8.2778 8.2778 8.3084 8.3084 9.9241 9.9241 10.0004 10.0004 11.9014 11.9014 12.3321 12.3321 12.3375 12.3375 12.6954 12.6954 k = 0.4844 0.2877 0.0000 ( 3140 PWs) bands (ev): -24.6910 -24.6910 -7.5903 -7.5903 -6.5168 -6.5168 -6.4205 -6.4205 0.6733 0.6733 0.9770 0.9770 5.2562 5.2562 5.8424 5.8424 5.9470 5.9470 6.0065 6.0065 6.2436 6.2436 6.5208 6.5208 6.5539 6.5539 6.5715 6.5715 6.9719 6.9719 7.3090 7.3090 8.2774 8.2774 8.3083 8.3083 9.9225 9.9225 10.0449 10.0449 11.8967 11.8967 12.3568 12.3568 12.3622 12.3622 12.6416 12.6416 k = 0.5000 0.2970 0.0000 ( 3148 PWs) bands (ev): -24.6910 -24.6910 -7.5904 -7.5904 -6.5169 -6.5169 -6.4205 -6.4205 0.6930 0.6930 0.9559 0.9559 5.2564 5.2564 5.8425 5.8425 5.9471 5.9471 6.0064 6.0064 6.2432 6.2432 6.5205 6.5205 6.5535 6.5535 6.5710 6.5710 6.9718 6.9718 7.3090 7.3090 8.2772 8.2772 8.3083 8.3083 9.9220 9.9220 10.0602 10.0602 11.8952 11.8952 12.3652 12.3652 12.3707 12.3707 12.6231 12.6231 k = 0.5000 0.2970 0.0000 ( 3148 PWs) bands (ev): -24.6910 -24.6910 -7.5904 -7.5904 -6.5169 -6.5169 -6.4205 -6.4205 0.6930 0.6930 0.9559 0.9559 5.2564 5.2564 5.8425 5.8425 5.9471 5.9471 6.0064 6.0064 6.2432 6.2432 6.5205 6.5205 6.5535 6.5535 6.5710 6.5710 6.9718 6.9718 7.3090 7.3090 8.2772 8.2772 8.3083 8.3083 9.9220 9.9220 10.0602 10.0602 11.8952 11.8952 12.3652 12.3652 12.3707 12.3707 12.6231 12.6231 k = 0.4934 0.3082 0.0130 ( 3140 PWs) bands (ev): -24.6910 -24.6910 -7.5904 -7.5904 -6.5169 -6.5169 -6.4207 -6.4207 0.6941 0.6941 0.9570 0.9570 5.2569 5.2569 5.8425 5.8425 5.9470 5.9470 6.0070 6.0070 6.2433 6.2433 6.5190 6.5190 6.5495 6.5495 6.5754 6.5754 6.9714 6.9714 7.3073 7.3073 8.2707 8.2707 8.3049 8.3049 9.9316 9.9316 10.0604 10.0604 11.9005 11.9005 12.3420 12.3420 12.3686 12.3686 12.6408 12.6408 k = 0.4867 0.3193 0.0260 ( 3146 PWs) bands (ev): -24.6909 -24.6909 -7.5906 -7.5906 -6.5169 -6.5169 -6.4213 -6.4213 0.6972 0.6972 0.9600 0.9600 5.2582 5.2582 5.8426 5.8426 5.9468 5.9468 6.0082 6.0082 6.2437 6.2437 6.5139 6.5139 6.5423 6.5423 6.5834 6.5834 6.9701 6.9701 7.3021 7.3021 8.2417 8.2417 8.3051 8.3051 9.9593 9.9593 10.0610 10.0610 11.9162 11.9162 12.2792 12.2792 12.3697 12.3697 12.6803 12.6803 k = 0.4801 0.3305 0.0390 ( 3150 PWs) bands (ev): -24.6909 -24.6909 -7.5910 -7.5910 -6.5170 -6.5170 -6.4223 -6.4223 0.7025 0.7025 0.9650 0.9650 5.2604 5.2604 5.8428 5.8428 5.9465 5.9465 6.0105 6.0105 6.2442 6.2442 6.5050 6.5050 6.5355 6.5355 6.5919 6.5919 6.9679 6.9679 7.2937 7.2937 8.1891 8.1891 8.3129 8.3129 10.0008 10.0008 10.0634 10.0634 11.9422 11.9422 12.1961 12.1961 12.3717 12.3717 12.7256 12.7256 k = 0.4734 0.3417 0.0520 ( 3160 PWs) bands (ev): -24.6908 -24.6908 -7.5914 -7.5914 -6.5172 -6.5172 -6.4237 -6.4237 0.7098 0.7098 0.9721 0.9721 5.2634 5.2634 5.8431 5.8431 5.9462 5.9462 6.0137 6.0137 6.2449 6.2449 6.4928 6.4928 6.5293 6.5293 6.6001 6.6001 6.9649 6.9649 7.2823 7.2823 8.1190 8.1190 8.3255 8.3255 10.0404 10.0404 10.0795 10.0795 11.9778 11.9778 12.1018 12.1018 12.3746 12.3746 12.7701 12.7701 k = 0.4668 0.3529 0.0650 ( 3158 PWs) bands (ev): -24.6907 -24.6907 -7.5920 -7.5920 -6.5174 -6.5174 -6.4254 -6.4254 0.7191 0.7191 0.9812 0.9812 5.2672 5.2672 5.8434 5.8434 5.9459 5.9459 6.0176 6.0176 6.2456 6.2456 6.4781 6.4781 6.5232 6.5232 6.6079 6.6079 6.9611 6.9611 7.2683 7.2683 8.0364 8.0364 8.3417 8.3417 10.0499 10.0499 10.1334 10.1334 11.9910 11.9910 12.0316 12.0316 12.3781 12.3781 12.8120 12.8120 k = 0.4601 0.3641 0.0780 ( 3164 PWs) bands (ev): -24.6905 -24.6905 -7.5928 -7.5928 -6.5177 -6.5177 -6.4274 -6.4274 0.7304 0.7304 0.9923 0.9923 5.2717 5.2717 5.8438 5.8438 5.9455 5.9455 6.0222 6.0222 6.2463 6.2463 6.4614 6.4614 6.5167 6.5167 6.6151 6.6151 6.9563 6.9563 7.2520 7.2520 7.9451 7.9451 8.3609 8.3609 10.0497 10.0497 10.2014 10.2014 11.8868 11.8868 12.0821 12.0821 12.3823 12.3823 12.8513 12.8513 k = 0.4535 0.3753 0.0910 ( 3160 PWs) bands (ev): -24.6903 -24.6903 -7.5936 -7.5936 -6.5181 -6.5181 -6.4296 -6.4296 0.7435 0.7435 1.0054 1.0054 5.2767 5.2767 5.8444 5.8444 5.9455 5.9455 6.0276 6.0276 6.2466 6.2466 6.4427 6.4427 6.5098 6.5098 6.6218 6.6218 6.9506 6.9506 7.2339 7.2339 7.8485 7.8485 8.3825 8.3825 10.0468 10.0468 10.2737 10.2737 11.7741 11.7741 12.1452 12.1452 12.3870 12.3870 12.8884 12.8884 k = 0.4469 0.3864 0.1040 ( 3160 PWs) bands (ev): -24.6902 -24.6902 -7.5946 -7.5946 -6.5187 -6.5187 -6.4320 -6.4320 0.7584 0.7584 1.0205 1.0205 5.2822 5.2822 5.8452 5.8452 5.9456 5.9456 6.0336 6.0336 6.2464 6.2464 6.4222 6.4222 6.5022 6.5022 6.6277 6.6277 6.9440 6.9440 7.2142 7.2142 7.7492 7.7492 8.4061 8.4061 10.0417 10.0417 10.3473 10.3473 11.6579 11.6579 12.2152 12.2152 12.3921 12.3921 12.9240 12.9240 k = 0.4402 0.3976 0.1171 ( 3156 PWs) bands (ev): -24.6899 -24.6899 -7.5957 -7.5957 -6.5195 -6.5195 -6.4344 -6.4344 0.7749 0.7749 1.0375 1.0375 5.2878 5.2878 5.8461 5.8461 5.9460 5.9460 6.0401 6.0401 6.2449 6.2449 6.4000 6.4000 6.4942 6.4942 6.6331 6.6331 6.9365 6.9365 7.1934 7.1934 7.6495 7.6495 8.4313 8.4313 10.0341 10.0341 10.4209 10.4209 11.5396 11.5396 12.2898 12.2898 12.3975 12.3975 12.9586 12.9586 k = 0.4336 0.4088 0.1301 ( 3152 PWs) bands (ev): -24.6897 -24.6897 -7.5969 -7.5969 -6.5205 -6.5205 -6.4369 -6.4369 0.7929 0.7929 1.0566 1.0566 5.2936 5.2936 5.8472 5.8472 5.9466 5.9466 6.0469 6.0469 6.2416 6.2416 6.3767 6.3767 6.4857 6.4857 6.6379 6.6379 6.9280 6.9280 7.1716 7.1716 7.5516 7.5516 8.4576 8.4576 10.0237 10.0237 10.4938 10.4938 11.4198 11.4198 12.3646 12.3646 12.4044 12.4044 12.9929 12.9929 k = 0.4269 0.4200 0.1431 ( 3144 PWs) bands (ev): -24.6894 -24.6894 -7.5982 -7.5982 -6.5219 -6.5219 -6.4393 -6.4393 0.8123 0.8123 1.0776 1.0776 5.2989 5.2989 5.8486 5.8486 5.9476 5.9476 6.0540 6.0540 6.2352 6.2352 6.3533 6.3533 6.4770 6.4770 6.6420 6.6420 6.9187 6.9187 7.1493 7.1493 7.4571 7.4571 8.4848 8.4848 10.0100 10.0100 10.5656 10.5656 11.2993 11.2993 12.4034 12.4034 12.4446 12.4446 13.0273 13.0273 k = 0.4203 0.4312 0.1561 ( 3152 PWs) bands (ev): -24.6892 -24.6892 -7.5997 -7.5997 -6.5235 -6.5235 -6.4416 -6.4416 0.8329 0.8329 1.1005 1.1005 5.3036 5.3036 5.8502 5.8502 5.9488 5.9488 6.0607 6.0607 6.2238 6.2238 6.3313 6.3313 6.4681 6.4681 6.6453 6.6453 6.9083 6.9083 7.1265 7.1265 7.3675 7.3675 8.5126 8.5126 9.9924 9.9924 10.6363 10.6363 11.1785 11.1785 12.4090 12.4090 12.5090 12.5090 13.0619 13.0619 k = 0.4137 0.4424 0.1691 ( 3152 PWs) bands (ev): -24.6889 -24.6889 -7.6012 -7.6012 -6.5255 -6.5255 -6.4437 -6.4437 0.8546 0.8546 1.1254 1.1254 5.3071 5.3071 5.8520 5.8520 5.9503 5.9503 6.0667 6.0667 6.2061 6.2061 6.3130 6.3130 6.4595 6.4595 6.6479 6.6479 6.8968 6.8968 7.1036 7.1036 7.2842 7.2842 8.5406 8.5406 9.9704 9.9704 10.7061 10.7061 11.0579 11.0579 12.4121 12.4121 12.5601 12.5601 13.0971 13.0971 k = 0.4070 0.4535 0.1821 ( 3152 PWs) bands (ev): -24.6886 -24.6886 -7.6029 -7.6029 -6.5280 -6.5280 -6.4455 -6.4455 0.8770 0.8770 1.1522 1.1522 5.3087 5.3087 5.8540 5.8540 5.9519 5.9519 6.0704 6.0704 6.1830 6.1830 6.2989 6.2989 6.4514 6.4514 6.6497 6.6497 6.8844 6.8844 7.0807 7.0807 7.2081 7.2081 8.5686 8.5686 9.9437 9.9437 10.7753 10.7753 10.9379 10.9379 12.4132 12.4132 12.5921 12.5921 13.1328 13.1328 k = 0.4004 0.4647 0.1951 ( 3150 PWs) bands (ev): -24.6883 -24.6883 -7.6046 -7.6046 -6.5308 -6.5308 -6.4470 -6.4470 0.9001 0.9001 1.1809 1.1809 5.3080 5.3080 5.8565 5.8565 5.9534 5.9534 6.0679 6.0679 6.1601 6.1601 6.2880 6.2880 6.4440 6.4440 6.6508 6.6508 6.8707 6.8707 7.0580 7.0580 7.1399 7.1399 8.5965 8.5965 9.9120 9.9120 10.8184 10.8184 10.8443 10.8443 12.4120 12.4120 12.6055 12.6055 13.1673 13.1673 k = 0.3937 0.4759 0.2081 ( 3154 PWs) bands (ev): -24.6880 -24.6880 -7.6064 -7.6064 -6.5339 -6.5339 -6.4481 -6.4481 0.9236 0.9236 1.2114 1.2114 5.3038 5.3038 5.8591 5.8591 5.9542 5.9542 6.0541 6.0541 6.1461 6.1461 6.2787 6.2787 6.4375 6.4375 6.6512 6.6512 6.8558 6.8558 7.0353 7.0353 7.0799 7.0799 8.6241 8.6241 9.8751 9.8751 10.7004 10.7004 10.9130 10.9130 12.4077 12.4077 12.6061 12.6061 13.1711 13.1711 k = 0.3871 0.4871 0.2211 ( 3162 PWs) bands (ev): -24.6877 -24.6877 -7.6083 -7.6083 -6.5374 -6.5374 -6.4489 -6.4489 0.9472 0.9472 1.2438 1.2438 5.2951 5.2951 5.8621 5.8621 5.9524 5.9524 6.0306 6.0306 6.1434 6.1434 6.2696 6.2696 6.4321 6.4321 6.6508 6.6508 6.8398 6.8398 7.0130 7.0130 7.0280 7.0280 8.6512 8.6512 9.8330 9.8330 10.5835 10.5835 10.9823 10.9823 12.3994 12.3994 12.6008 12.6008 13.1556 13.1556 k = 0.3804 0.4983 0.2341 ( 3154 PWs) bands (ev): -24.6873 -24.6873 -7.6103 -7.6103 -6.5412 -6.5412 -6.4494 -6.4494 0.9706 0.9706 1.2780 1.2780 5.2809 5.2809 5.8654 5.8654 5.9441 5.9441 6.0091 6.0091 6.1472 6.1472 6.2606 6.2606 6.4278 6.4278 6.6497 6.6497 6.8227 6.8227 6.9835 6.9835 6.9912 6.9912 8.6777 8.6777 9.7858 9.7858 10.4680 10.4680 11.0523 11.0523 12.3863 12.3863 12.5948 12.5948 13.1450 13.1450 k = 0.3738 0.5094 0.2471 ( 3146 PWs) bands (ev): -24.6870 -24.6870 -7.6123 -7.6123 -6.5452 -6.5452 -6.4496 -6.4496 0.9936 0.9936 1.3140 1.3140 5.2601 5.2601 5.8688 5.8688 5.9262 5.9262 5.9989 5.9989 6.1535 6.1535 6.2515 6.2515 6.4247 6.4247 6.6478 6.6478 6.8045 6.8045 6.9463 6.9463 6.9696 6.9696 8.7036 8.7036 9.7340 9.7340 10.3541 10.3541 11.1233 11.1233 12.3673 12.3673 12.5916 12.5916 13.1403 13.1403 k = 0.3672 0.5206 0.2601 ( 3150 PWs) bands (ev): -24.6867 -24.6867 -7.6143 -7.6143 -6.5494 -6.5494 -6.4496 -6.4496 1.0159 1.0159 1.3517 1.3517 5.2323 5.2323 5.8712 5.8712 5.9049 5.9049 5.9978 5.9978 6.1595 6.1595 6.2433 6.2433 6.4226 6.4226 6.6452 6.6452 6.7855 6.7855 6.9149 6.9149 6.9483 6.9483 8.7288 8.7288 9.6778 9.6778 10.2418 10.2418 11.1954 11.1954 12.3416 12.3416 12.5932 12.5932 13.1416 13.1416 k = 0.3605 0.5318 0.2731 ( 3150 PWs) bands (ev): -24.6863 -24.6863 -7.6163 -7.6163 -6.5537 -6.5537 -6.4493 -6.4493 1.0370 1.0370 1.3911 1.3911 5.1974 5.1974 5.8684 5.8684 5.8917 5.8917 6.0010 6.0010 6.1633 6.1633 6.2374 6.2374 6.4213 6.4213 6.6420 6.6420 6.7662 6.7662 6.8884 6.8884 6.9274 6.9274 8.7533 8.7533 9.6179 9.6179 10.1313 10.1313 11.2688 11.2688 12.3083 12.3083 12.6004 12.6004 13.1490 13.1490 k = 0.3539 0.5430 0.2861 ( 3146 PWs) bands (ev): -24.6860 -24.6860 -7.6184 -7.6184 -6.5580 -6.5580 -6.4488 -6.4488 1.0568 1.0568 1.4322 1.4322 5.1562 5.1562 5.8578 5.8578 5.8914 5.8914 6.0063 6.0063 6.1626 6.1626 6.2360 6.2360 6.4207 6.4207 6.6383 6.6383 6.7470 6.7470 6.8657 6.8657 6.9070 6.9070 8.7771 8.7771 9.5549 9.5549 10.0228 10.0228 11.3437 11.3437 12.2668 12.2668 12.6137 12.6137 13.1625 13.1625 k = 0.3472 0.5542 0.2991 ( 3146 PWs) bands (ev): -24.6857 -24.6857 -7.6204 -7.6204 -6.5622 -6.5622 -6.4482 -6.4482 1.0747 1.0747 1.4750 1.4750 5.1102 5.1102 5.8483 5.8483 5.8961 5.8961 6.0129 6.0129 6.1565 6.1565 6.2399 6.2399 6.4205 6.4205 6.6338 6.6338 6.7283 6.7283 6.8460 6.8460 6.8869 6.8869 8.8003 8.8003 9.4894 9.4894 9.9161 9.9161 11.4201 11.4201 12.2169 12.2169 12.6330 12.6330 13.1819 13.1819 k = 0.3406 0.5654 0.3121 ( 3144 PWs) bands (ev): -24.6854 -24.6854 -7.6224 -7.6224 -6.5664 -6.5664 -6.4474 -6.4474 1.0905 1.0905 1.5193 1.5193 5.0608 5.0608 5.8426 5.8426 5.9024 5.9024 6.0204 6.0204 6.1464 6.1464 6.2479 6.2479 6.4205 6.4205 6.6289 6.6289 6.7104 6.7104 6.8286 6.8286 6.8673 6.8673 8.8228 8.8228 9.4220 9.4220 9.8114 9.8114 11.4980 11.4980 12.1589 12.1589 12.6582 12.6582 13.1783 13.1783 k = 0.3340 0.5765 0.3252 ( 3140 PWs) bands (ev): -24.6851 -24.6851 -7.6243 -7.6243 -6.5705 -6.5705 -6.4465 -6.4465 1.1037 1.1037 1.5651 1.5651 5.0101 5.0101 5.8406 5.8406 5.9097 5.9097 6.0286 6.0286 6.1339 6.1339 6.2584 6.2584 6.4206 6.4206 6.6234 6.6234 6.6934 6.6934 6.8130 6.8130 6.8483 6.8483 8.8448 8.8448 9.3536 9.3536 9.7088 9.7088 11.5773 11.5773 12.0931 12.0931 12.6889 12.6889 13.1171 13.1171 k = 0.3273 0.5877 0.3382 ( 3136 PWs) bands (ev): -24.6848 -24.6848 -7.6262 -7.6262 -6.5743 -6.5743 -6.4456 -6.4456 1.1141 1.1141 1.6124 1.6124 4.9594 4.9594 5.8414 5.8414 5.9178 5.9178 6.0373 6.0373 6.1203 6.1203 6.2704 6.2704 6.4205 6.4205 6.6176 6.6176 6.6774 6.6774 6.7986 6.7986 6.8301 6.8301 8.8664 8.8664 9.2847 9.2847 9.6083 9.6083 11.6580 11.6580 12.0205 12.0205 12.7246 12.7246 13.0557 13.0557 k = 0.3207 0.5989 0.3512 ( 3136 PWs) bands (ev): -24.6846 -24.6846 -7.6279 -7.6279 -6.5780 -6.5780 -6.4446 -6.4446 1.1212 1.1212 1.6611 1.6611 4.9104 4.9104 5.8441 5.8441 5.9265 5.9265 6.0461 6.0461 6.1066 6.1066 6.2832 6.2832 6.4201 6.4201 6.6114 6.6114 6.6625 6.6625 6.7850 6.7850 6.8132 6.8132 8.8875 8.8875 9.2160 9.2160 9.5099 9.5099 11.7394 11.7394 11.9424 11.9424 12.7649 12.7649 12.9960 12.9960 k = 0.3140 0.6101 0.3642 ( 3148 PWs) bands (ev): -24.6843 -24.6843 -7.6296 -7.6296 -6.5814 -6.5814 -6.4436 -6.4436 1.1247 1.1247 1.7112 1.7112 4.8641 4.8641 5.8478 5.8478 5.9357 5.9357 6.0540 6.0540 6.0942 6.0942 6.2964 6.2964 6.4192 6.4192 6.6048 6.6048 6.6490 6.6490 6.7713 6.7713 6.7982 6.7982 8.9084 8.9084 9.1481 9.1481 9.4136 9.4136 11.8142 11.8142 11.8671 11.8671 12.8094 12.8094 12.9386 12.9386 k = 0.3074 0.6213 0.3772 ( 3156 PWs) bands (ev): -24.6841 -24.6841 -7.6312 -7.6312 -6.5845 -6.5845 -6.4427 -6.4427 1.1243 1.1243 1.7624 1.7624 4.8216 4.8216 5.8518 5.8518 5.9453 5.9453 6.0580 6.0580 6.0868 6.0868 6.3095 6.3095 6.4178 6.4178 6.5980 6.5980 6.6371 6.6371 6.7568 6.7568 6.7861 6.7861 8.9288 8.9288 9.0817 9.0817 9.3195 9.3195 11.7640 11.7640 11.9135 11.9135 12.8558 12.8558 12.8858 12.8858 k = 0.3007 0.6325 0.3902 ( 3144 PWs) bands (ev): -24.6839 -24.6839 -7.6326 -7.6326 -6.5873 -6.5873 -6.4417 -6.4417 1.1198 1.1198 1.8149 1.8149 4.7835 4.7835 5.8556 5.8556 5.9551 5.9551 6.0534 6.0534 6.0895 6.0895 6.3224 6.3224 6.4160 6.4160 6.5913 6.5913 6.6272 6.6272 6.7415 6.7415 6.7770 6.7770 8.9480 8.9480 9.0183 9.0183 9.2276 9.2276 11.6739 11.6739 11.9975 11.9975 12.8303 12.8303 12.9113 12.9113 k = 0.2941 0.6436 0.4032 ( 3144 PWs) bands (ev): -24.6837 -24.6837 -7.6338 -7.6338 -6.5897 -6.5897 -6.4408 -6.4408 1.1110 1.1110 1.8684 1.8684 4.7504 4.7504 5.8584 5.8584 5.9641 5.9641 6.0447 6.0447 6.0984 6.0984 6.3343 6.3343 6.4138 6.4138 6.5845 6.5845 6.6193 6.6193 6.7255 6.7255 6.7704 6.7704 8.9440 8.9440 8.9802 8.9802 9.1380 9.1380 11.5798 11.5798 12.0832 12.0832 12.7820 12.7820 12.9658 12.9658 k = 0.2941 0.6436 0.4032 ( 3144 PWs) bands (ev): -24.6837 -24.6837 -7.6338 -7.6338 -6.5897 -6.5897 -6.4408 -6.4408 1.1110 1.1110 1.8684 1.8684 4.7504 4.7504 5.8584 5.8584 5.9641 5.9641 6.0447 6.0447 6.0984 6.0984 6.3343 6.3343 6.4138 6.4138 6.5845 6.5845 6.6193 6.6193 6.7255 6.7255 6.7704 6.7704 8.9440 8.9440 8.9802 8.9802 9.1380 9.1380 11.5798 11.5798 12.0832 12.0832 12.7820 12.7820 12.9658 12.9658 k = 0.2778 0.6395 0.4080 ( 3148 PWs) bands (ev): -24.6837 -24.6837 -7.6342 -7.6342 -6.5905 -6.5905 -6.4404 -6.4404 1.1055 1.1055 1.8894 1.8894 4.7417 4.7417 5.8570 5.8570 5.9682 5.9682 6.0401 6.0401 6.1037 6.1037 6.3383 6.3383 6.4130 6.4130 6.5820 6.5820 6.6173 6.6173 6.7195 6.7195 6.7688 6.7688 8.8776 8.8776 8.9823 8.9823 9.1567 9.1567 11.5437 11.5437 12.1124 12.1124 12.7533 12.7533 12.9843 12.9843 k = 0.2614 0.6354 0.4128 ( 3152 PWs) bands (ev): -24.6836 -24.6836 -7.6346 -7.6346 -6.5913 -6.5913 -6.4401 -6.4401 1.0975 1.0975 1.9122 1.9122 4.7379 4.7379 5.8514 5.8514 5.9739 5.9739 6.0338 6.0338 6.1110 6.1110 6.3420 6.3420 6.4121 6.4121 6.5791 6.5791 6.6162 6.6162 6.7135 6.7135 6.7680 6.7680 8.7643 8.7643 8.9898 8.9898 9.2218 9.2218 11.5062 11.5062 12.1348 12.1348 12.7120 12.7120 12.9923 12.9923 k = 0.2451 0.6313 0.4176 ( 3148 PWs) bands (ev): -24.6836 -24.6836 -7.6349 -7.6349 -6.5920 -6.5920 -6.4397 -6.4397 1.0879 1.0879 1.9358 1.9358 4.7393 4.7393 5.8421 5.8421 5.9806 5.9806 6.0268 6.0268 6.1197 6.1197 6.3452 6.3452 6.4115 6.4115 6.5759 6.5759 6.6160 6.6160 6.7075 6.7075 6.7682 6.7682 8.6441 8.6441 8.9983 8.9983 9.2976 9.2976 11.4685 11.4685 12.1473 12.1473 12.6682 12.6682 12.9891 12.9891 k = 0.2287 0.6271 0.4224 ( 3146 PWs) bands (ev): -24.6835 -24.6835 -7.6352 -7.6352 -6.5926 -6.5926 -6.4393 -6.4393 1.0772 1.0772 1.9595 1.9595 4.7460 4.7460 5.8293 5.8293 5.9869 5.9869 6.0203 6.0203 6.1289 6.1289 6.3475 6.3475 6.4113 6.4113 6.5724 6.5724 6.6165 6.6165 6.7015 6.7015 6.7693 6.7693 8.5248 8.5248 9.0071 9.0071 9.3773 9.3773 11.4311 11.4311 12.1450 12.1450 12.6302 12.6302 12.9786 12.9786 k = 0.2124 0.6230 0.4272 ( 3149 PWs) bands (ev): -24.6835 -24.6835 -7.6355 -7.6355 -6.5932 -6.5932 -6.4389 -6.4389 1.0660 1.0660 1.9826 1.9826 4.7579 4.7579 5.8133 5.8133 5.9904 5.9904 6.0168 6.0168 6.1385 6.1385 6.3486 6.3486 6.4118 6.4118 6.5686 6.5686 6.6174 6.6174 6.6957 6.6957 6.7715 6.7715 8.4089 8.4089 9.0160 9.0160 9.4589 9.4589 11.3947 11.3947 12.1229 12.1229 12.6051 12.6051 12.9644 12.9644 k = 0.1961 0.6189 0.4320 ( 3143 PWs) bands (ev): -24.6834 -24.6834 -7.6358 -7.6358 -6.5937 -6.5937 -6.4385 -6.4385 1.0545 1.0545 2.0046 2.0046 4.7750 4.7750 5.7943 5.7943 5.9886 5.9886 6.0188 6.0188 6.1484 6.1484 6.3484 6.3484 6.4132 6.4132 6.5647 6.5647 6.6187 6.6187 6.6900 6.6900 6.7749 6.7749 8.2975 8.2975 9.0248 9.0248 9.5417 9.5417 11.3598 11.3598 12.0795 12.0795 12.5965 12.5965 12.9490 12.9490 k = 0.1797 0.6148 0.4368 ( 3143 PWs) bands (ev): -24.6834 -24.6834 -7.6360 -7.6360 -6.5942 -6.5942 -6.4382 -6.4382 1.0432 1.0432 2.0253 2.0253 4.7971 4.7971 5.7720 5.7720 5.9829 5.9829 6.0247 6.0247 6.1583 6.1583 6.3466 6.3466 6.4158 6.4158 6.5607 6.5607 6.6199 6.6199 6.6846 6.6846 6.7795 6.7795 8.1912 8.1912 9.0335 9.0335 9.6251 9.6251 11.3266 11.3266 12.0178 12.0178 12.6025 12.6025 12.9338 12.9338 k = 0.1634 0.6106 0.4416 ( 3143 PWs) bands (ev): -24.6834 -24.6834 -7.6362 -7.6362 -6.5946 -6.5946 -6.4378 -6.4378 1.0324 1.0324 2.0443 2.0443 4.8241 4.8241 5.7466 5.7466 5.9761 5.9761 6.0318 6.0318 6.1682 6.1682 6.3433 6.3433 6.4193 6.4193 6.5566 6.5566 6.6211 6.6211 6.6796 6.6796 6.7853 6.7853 8.0908 8.0908 9.0418 9.0418 9.7086 9.7086 11.2956 11.2956 11.9433 11.9433 12.6188 12.6188 12.9198 12.9198 k = 0.1470 0.6065 0.4464 ( 3139 PWs) bands (ev): -24.6833 -24.6833 -7.6364 -7.6364 -6.5950 -6.5950 -6.4375 -6.4375 1.0221 1.0221 2.0616 2.0616 4.8556 4.8556 5.7179 5.7179 5.9692 5.9692 6.0392 6.0392 6.1781 6.1781 6.3388 6.3388 6.4236 6.4236 6.5524 6.5524 6.6221 6.6221 6.6749 6.6749 6.7923 6.7923 7.9969 7.9969 9.0498 9.0498 9.7919 9.7919 11.2670 11.2670 11.8611 11.8611 12.6409 12.6409 12.9077 12.9077 k = 0.1307 0.6024 0.4512 ( 3136 PWs) bands (ev): -24.6833 -24.6833 -7.6366 -7.6366 -6.5954 -6.5954 -6.4371 -6.4371 1.0126 1.0126 2.0769 2.0769 4.8913 4.8913 5.6859 5.6859 5.9626 5.9626 6.0463 6.0463 6.1881 6.1881 6.3332 6.3332 6.4286 6.4286 6.5483 6.5483 6.6228 6.6228 6.6706 6.6706 6.8004 6.8004 7.9101 7.9101 9.0572 9.0572 9.8743 9.8743 11.2409 11.2409 11.7751 11.7751 12.6652 12.6652 12.8980 12.8980 k = 0.1144 0.5983 0.4560 ( 3140 PWs) bands (ev): -24.6833 -24.6833 -7.6367 -7.6367 -6.5957 -6.5957 -6.4368 -6.4368 1.0039 1.0039 2.0903 2.0903 4.9306 4.9306 5.6509 5.6509 5.9566 5.9566 6.0528 6.0528 6.1980 6.1980 6.3266 6.3266 6.4339 6.4339 6.5440 6.5440 6.6231 6.6231 6.6668 6.6668 6.8093 6.8093 7.8309 7.8309 9.0640 9.0640 9.9551 9.9551 11.2176 11.2176 11.6883 11.6883 12.6891 12.6891 12.8911 12.8911 k = 0.0980 0.5941 0.4608 ( 3140 PWs) bands (ev): -24.6833 -24.6833 -7.6368 -7.6368 -6.5959 -6.5959 -6.4366 -6.4366 0.9963 0.9963 2.1018 2.1018 4.9729 4.9729 5.6130 5.6130 5.9514 5.9514 6.0586 6.0586 6.2079 6.2079 6.3194 6.3194 6.4393 6.4393 6.5398 6.5398 6.6231 6.6231 6.6635 6.6635 6.8188 6.8188 7.7600 7.7600 9.0701 9.0701 10.0333 10.0333 11.1971 11.1971 11.6032 11.6032 12.7105 12.7105 12.8876 12.8876 k = 0.0817 0.5900 0.4656 ( 3136 PWs) bands (ev): -24.6832 -24.6832 -7.6369 -7.6369 -6.5961 -6.5961 -6.4363 -6.4363 0.9897 0.9897 2.1114 2.1114 5.0175 5.0175 5.5728 5.5728 5.9469 5.9469 6.0638 6.0638 6.2177 6.2177 6.3117 6.3117 6.4447 6.4447 6.5357 6.5357 6.6230 6.6230 6.6608 6.6608 6.8284 6.8284 7.6980 7.6980 9.0755 9.0755 10.1074 10.1074 11.1796 11.1796 11.5220 11.5220 12.7279 12.7279 12.8877 12.8877 k = 0.0654 0.5859 0.4704 ( 3133 PWs) bands (ev): -24.6832 -24.6832 -7.6370 -7.6370 -6.5963 -6.5963 -6.4361 -6.4361 0.9843 0.9843 2.1191 2.1191 5.0632 5.0632 5.5310 5.5310 5.9432 5.9432 6.0680 6.0680 6.2275 6.2275 6.3034 6.3034 6.4499 6.4499 6.5318 6.5318 6.6227 6.6227 6.6586 6.6586 6.8376 6.8376 7.6457 7.6457 9.0799 9.0799 10.1756 10.1756 11.1652 11.1652 11.4474 11.4474 12.7405 12.7405 12.8908 12.8908 k = 0.0490 0.5818 0.4752 ( 3132 PWs) bands (ev): -24.6832 -24.6832 -7.6371 -7.6371 -6.5964 -6.5964 -6.4360 -6.4360 0.9800 0.9800 2.1250 2.1250 5.1085 5.1085 5.4891 5.4891 5.9404 5.9404 6.0715 6.0715 6.2373 6.2373 6.2949 6.2949 6.4544 6.4544 6.5283 6.5283 6.6224 6.6224 6.6569 6.6569 6.8458 6.8458 7.6039 7.6039 9.0835 9.0835 10.2350 10.2350 11.1540 11.1540 11.3826 11.3826 12.7488 12.7488 12.8959 12.8959 k = 0.0327 0.5776 0.4799 ( 3130 PWs) bands (ev): -24.6832 -24.6832 -7.6371 -7.6371 -6.5965 -6.5965 -6.4359 -6.4359 0.9769 0.9769 2.1292 2.1292 5.1504 5.1504 5.4496 5.4496 5.9383 5.9383 6.0739 6.0739 6.2469 6.2469 6.2861 6.2861 6.4580 6.4580 6.5254 6.5254 6.6221 6.6221 6.6557 6.6557 6.8523 6.8523 7.5732 7.5732 9.0860 9.0860 10.2821 10.2821 11.1460 11.1460 11.3315 11.3315 12.7537 12.7537 12.9011 12.9011 k = 0.0163 0.5735 0.4847 ( 3128 PWs) bands (ev): -24.6832 -24.6832 -7.6371 -7.6371 -6.5966 -6.5966 -6.4358 -6.4358 0.9751 0.9751 2.1317 2.1317 5.1832 5.1832 5.4184 5.4184 5.9371 5.9371 6.0754 6.0754 6.2561 6.2561 6.2774 6.2774 6.4604 6.4604 6.5236 6.5236 6.6218 6.6218 6.6550 6.6550 6.8566 6.8566 7.5545 7.5545 9.0876 9.0876 10.3128 10.3128 11.1411 11.1411 11.2983 11.2983 12.7562 12.7562 12.9049 12.9049 k = 0.0000 0.5694 0.4895 ( 3140 PWs) bands (ev): -24.6832 -24.6832 -7.6371 -7.6371 -6.5966 -6.5966 -6.4358 -6.4358 0.9745 0.9745 2.1326 2.1326 5.1965 5.1965 5.4056 5.4056 5.9366 5.9366 6.0758 6.0758 6.2619 6.2619 6.2717 6.2717 6.4612 6.4612 6.5228 6.5228 6.6217 6.6217 6.6547 6.6547 6.8580 6.8580 7.5482 7.5482 9.0881 9.0881 10.3235 10.3235 11.1395 11.1395 11.2867 11.2867 12.7569 12.7569 12.9063 12.9063 k = 0.0000 0.5694 0.4895 ( 3140 PWs) bands (ev): -24.6832 -24.6832 -7.6371 -7.6371 -6.5966 -6.5966 -6.4358 -6.4358 0.9745 0.9745 2.1326 2.1326 5.1965 5.1965 5.4056 5.4056 5.9366 5.9366 6.0758 6.0758 6.2619 6.2619 6.2717 6.2717 6.4612 6.4612 6.5228 6.5228 6.6217 6.6217 6.6547 6.6547 6.8580 6.8580 7.5482 7.5482 9.0881 9.0881 10.3235 10.3235 11.1395 11.1395 11.2867 11.2867 12.7569 12.7569 12.9063 12.9063 k = 0.0066 0.5583 0.5024 ( 3132 PWs) bands (ev): -24.6832 -24.6832 -7.6372 -7.6372 -6.5965 -6.5965 -6.4360 -6.4360 0.9745 0.9745 2.1338 2.1338 5.1965 5.1965 5.4038 5.4038 5.9372 5.9372 6.0765 6.0765 6.2615 6.2615 6.2729 6.2729 6.4607 6.4607 6.5231 6.5231 6.6219 6.6219 6.6559 6.6559 6.8577 6.8577 7.5486 7.5486 9.0852 9.0852 10.3185 10.3185 11.1095 11.1095 11.2990 11.2990 12.7782 12.7782 12.8921 12.8921 k = 0.0132 0.5472 0.5153 ( 3136 PWs) bands (ev): -24.6832 -24.6832 -7.6372 -7.6372 -6.5964 -6.5964 -6.4366 -6.4366 0.9748 0.9748 2.1373 2.1373 5.1967 5.1967 5.3986 5.3986 5.9388 5.9388 6.0782 6.0782 6.2606 6.2606 6.2759 6.2759 6.4590 6.4590 6.5237 6.5237 6.6225 6.6225 6.6592 6.6592 6.8567 6.8567 7.5500 7.5500 9.0766 9.0766 10.3039 10.3039 11.0366 11.0366 11.3213 11.3213 12.8390 12.8390 12.8734 12.8734 k = 0.0197 0.5362 0.5282 ( 3138 PWs) bands (ev): -24.6831 -24.6831 -7.6373 -7.6373 -6.5960 -6.5960 -6.4376 -6.4376 0.9752 0.9752 2.1432 2.1432 5.1970 5.1970 5.3901 5.3901 5.9415 5.9415 6.0810 6.0810 6.2601 6.2601 6.2801 6.2801 6.4566 6.4566 6.5245 6.5245 6.6239 6.6239 6.6642 6.6642 6.8552 6.8552 7.5522 7.5522 9.0623 9.0623 10.2798 10.2798 10.9384 10.9384 11.3425 11.3425 12.8610 12.8610 12.9352 12.9352 k = 0.0263 0.5251 0.5411 ( 3140 PWs) bands (ev): -24.6830 -24.6830 -7.6375 -7.6375 -6.5956 -6.5956 -6.4391 -6.4391 0.9757 0.9757 2.1515 2.1515 5.1973 5.1973 5.3785 5.3785 5.9451 5.9451 6.0849 6.0849 6.2602 6.2602 6.2849 6.2849 6.4537 6.4537 6.5254 6.5254 6.6265 6.6265 6.6704 6.6704 6.8531 6.8531 7.5554 7.5554 9.0429 9.0429 10.2468 10.2468 10.8234 10.8234 11.3615 11.3615 12.8605 12.8605 13.0558 13.0558 k = 0.0329 0.5140 0.5540 ( 3134 PWs) bands (ev): -24.6829 -24.6829 -7.6377 -7.6377 -6.5950 -6.5950 -6.4409 -6.4409 0.9764 0.9764 2.1620 2.1620 5.1975 5.1975 5.3640 5.3640 5.9497 5.9497 6.0897 6.0897 6.2609 6.2609 6.2902 6.2902 6.4507 6.4507 6.5263 6.5263 6.6304 6.6304 6.6775 6.6775 6.8506 6.8506 7.5595 7.5595 9.0185 9.0185 10.2053 10.2053 10.6972 10.6972 11.3795 11.3795 12.8706 12.8706 13.1956 13.1956 k = 0.0395 0.5029 0.5668 ( 3134 PWs) bands (ev): -24.6827 -24.6827 -7.6379 -7.6379 -6.5943 -6.5943 -6.4430 -6.4430 0.9773 0.9773 2.1749 2.1749 5.1975 5.1975 5.3470 5.3470 5.9551 5.9551 6.0953 6.0953 6.2624 6.2624 6.2958 6.2958 6.4481 6.4481 6.5273 6.5273 6.6354 6.6354 6.6850 6.6850 6.8478 6.8478 7.5645 7.5645 8.9897 8.9897 10.1563 10.1563 10.5637 10.5637 11.3975 11.3975 12.8910 12.8910 13.3466 13.3466 k = 0.0461 0.4919 0.5797 ( 3138 PWs) bands (ev): -24.6826 -24.6826 -7.6382 -7.6382 -6.5936 -6.5936 -6.4455 -6.4455 0.9782 0.9782 2.1901 2.1901 5.1971 5.1971 5.3278 5.3278 5.9613 5.9613 6.1016 6.1016 6.2645 6.2645 6.3012 6.3012 6.4461 6.4461 6.5285 6.5285 6.6414 6.6414 6.6927 6.6927 6.8448 6.8448 7.5705 7.5705 8.9570 8.9570 10.1004 10.1004 10.4258 10.4258 11.4162 11.4162 12.9211 12.9211 13.4487 13.4487 k = 0.0526 0.4808 0.5926 ( 3138 PWs) bands (ev): -24.6824 -24.6824 -7.6385 -7.6385 -6.5927 -6.5927 -6.4483 -6.4483 0.9793 0.9793 2.2075 2.2075 5.1962 5.1962 5.3067 5.3067 5.9682 5.9682 6.1085 6.1085 6.2672 6.2672 6.3064 6.3064 6.4452 6.4452 6.5300 6.5300 6.6481 6.6481 6.7005 6.7005 6.8418 6.8418 7.5774 7.5774 8.9208 8.9208 10.0385 10.0385 10.2857 10.2857 11.4360 11.4360 12.9601 12.9601 13.5478 13.5478 k = 0.0592 0.4697 0.6055 ( 3132 PWs) bands (ev): -24.6822 -24.6822 -7.6389 -7.6389 -6.5918 -6.5918 -6.4514 -6.4514 0.9805 0.9805 2.2271 2.2271 5.1946 5.1946 5.2842 5.2842 5.9759 5.9759 6.1159 6.1159 6.2705 6.2705 6.3109 6.3109 6.4457 6.4457 6.5321 6.5321 6.6552 6.6552 6.7082 6.7082 6.8391 6.8391 7.5853 7.5853 8.8817 8.8817 9.9714 9.9714 10.1452 10.1452 11.4569 11.4569 13.0070 13.0070 13.6509 13.6509 k = 0.0658 0.4586 0.6184 ( 3138 PWs) bands (ev): -24.6820 -24.6820 -7.6394 -7.6394 -6.5908 -6.5908 -6.4547 -6.4547 0.9818 0.9818 2.2488 2.2488 5.1919 5.1919 5.2604 5.2604 5.9844 5.9844 6.1237 6.1237 6.2742 6.2742 6.3146 6.3146 6.4480 6.4480 6.5347 6.5347 6.6623 6.6623 6.7156 6.7156 6.8368 6.8368 7.5942 7.5942 8.8400 8.8400 9.8997 9.8997 10.0055 10.0055 11.4790 11.4790 13.0607 13.0607 13.7573 13.7573 k = 0.0724 0.4476 0.6313 ( 3138 PWs) bands (ev): -24.6817 -24.6817 -7.6398 -7.6398 -6.5897 -6.5897 -6.4582 -6.4582 0.9832 0.9832 2.2727 2.2727 5.1877 5.1877 5.2361 5.2361 5.9936 5.9936 6.1318 6.1318 6.2783 6.2783 6.3171 6.3171 6.4522 6.4522 6.5381 6.5381 6.6690 6.6690 6.7227 6.7227 6.8354 6.8354 7.6040 7.6040 8.7964 8.7964 9.8231 9.8231 9.8690 9.8690 11.5021 11.5021 13.1202 13.1202 13.8661 13.8661 k = 0.0789 0.4365 0.6441 ( 3130 PWs) bands (ev): -24.6815 -24.6815 -7.6404 -7.6404 -6.5887 -6.5887 -6.4618 -6.4618 0.9846 0.9846 2.2986 2.2986 5.1810 5.1810 5.2125 5.2125 6.0037 6.0037 6.1402 6.1402 6.2827 6.2827 6.3187 6.3187 6.4583 6.4583 6.5423 6.5423 6.6750 6.6750 6.7294 6.7294 6.8351 6.8351 7.6148 7.6148 8.7511 8.7511 9.7233 9.7233 9.7552 9.7552 11.5262 11.5262 13.1846 13.1846 13.9764 13.9764 k = 0.0855 0.4254 0.6570 ( 3130 PWs) bands (ev): -24.6812 -24.6812 -7.6409 -7.6409 -6.5876 -6.5876 -6.4656 -6.4656 0.9861 0.9861 2.3265 2.3265 5.1684 5.1684 5.1928 5.1928 6.0145 6.0145 6.1486 6.1486 6.2872 6.2872 6.3194 6.3194 6.4662 6.4662 6.5472 6.5472 6.6800 6.6800 6.7357 6.7357 6.8361 6.8361 7.6266 7.6266 8.7045 8.7045 9.5937 9.5937 9.6721 9.6721 11.5509 11.5509 13.2527 13.2527 14.0876 14.0876 k = 0.0921 0.4143 0.6699 ( 3134 PWs) bands (ev): -24.6809 -24.6809 -7.6416 -7.6416 -6.5865 -6.5865 -6.4694 -6.4694 0.9876 0.9876 2.3563 2.3563 5.1472 5.1472 5.1798 5.1798 6.0261 6.0261 6.1571 6.1571 6.2916 6.2916 6.3196 6.3196 6.4755 6.4755 6.5528 6.5528 6.6836 6.6836 6.7418 6.7418 6.8386 6.8386 7.6393 7.6393 8.6569 8.6569 9.4646 9.4646 9.5908 9.5908 11.5758 11.5758 13.3236 13.3236 14.1986 14.1986 k = 0.0987 0.4032 0.6828 ( 3134 PWs) bands (ev): -24.6806 -24.6806 -7.6422 -7.6422 -6.5855 -6.5855 -6.4733 -6.4733 0.9892 0.9892 2.3879 2.3879 5.1219 5.1219 5.1692 5.1692 6.0386 6.0386 6.1655 6.1655 6.2955 6.2955 6.3199 6.3199 6.4859 6.4859 6.5590 6.5590 6.6859 6.6859 6.7476 6.7476 6.8427 6.8427 7.6529 7.6529 8.6088 8.6088 9.3391 9.3391 9.5091 9.5091 11.6006 11.6006 13.3964 13.3964 14.3087 14.3087 k = 0.1053 0.3922 0.6957 ( 3140 PWs) bands (ev): -24.6803 -24.6803 -7.6430 -7.6430 -6.5846 -6.5846 -6.4771 -6.4771 0.9908 0.9908 2.4212 2.4212 5.0954 5.0954 5.1582 5.1582 6.0517 6.0517 6.1739 6.1739 6.2985 6.2985 6.3210 6.3210 6.4967 6.4967 6.5658 6.5658 6.6871 6.6871 6.7533 6.7533 6.8481 6.8481 7.6673 7.6673 8.5602 8.5602 9.2180 9.2180 9.4272 9.4272 11.6247 11.6247 13.4701 13.4701 14.4167 14.4167 k = 0.1118 0.3811 0.7086 ( 3132 PWs) bands (ev): -24.6800 -24.6800 -7.6437 -7.6437 -6.5838 -6.5838 -6.4808 -6.4808 0.9923 0.9923 2.4562 2.4562 5.0687 5.0687 5.1460 5.1460 6.0657 6.0657 6.1821 6.1821 6.3002 6.3002 6.3237 6.3237 6.5075 6.5075 6.5730 6.5730 6.6877 6.6877 6.7588 6.7588 6.8548 6.8548 7.6825 7.6825 8.5114 8.5114 9.1018 9.1018 9.3456 9.3456 11.6476 11.6476 13.5440 13.5440 14.3778 14.3778 k = 0.1184 0.3700 0.7214 ( 3134 PWs) bands (ev): -24.6797 -24.6797 -7.6445 -7.6445 -6.5831 -6.5831 -6.4843 -6.4843 0.9939 0.9939 2.4926 2.4926 5.0420 5.0420 5.1321 5.1321 6.0804 6.0804 6.1902 6.1902 6.3006 6.3006 6.3278 6.3278 6.5176 6.5176 6.5804 6.5804 6.6883 6.6883 6.7641 6.7641 6.8626 6.8626 7.6982 7.6982 8.4626 8.4626 8.9911 8.9911 9.2648 9.2648 11.6686 11.6686 13.6174 13.6174 14.2844 14.2844 k = 0.1250 0.3589 0.7343 ( 3136 PWs) bands (ev): -24.6794 -24.6794 -7.6453 -7.6453 -6.5825 -6.5825 -6.4877 -6.4877 0.9954 0.9954 2.5304 2.5304 5.0157 5.0157 5.1167 5.1167 6.0956 6.0956 6.1979 6.1979 6.3002 6.3002 6.3330 6.3330 6.5265 6.5265 6.5878 6.5878 6.6896 6.6896 6.7690 6.7690 6.8712 6.8712 7.7143 7.7143 8.4140 8.4140 8.8864 8.8864 9.1851 9.1851 11.6870 11.6870 13.6894 13.6894 14.1997 14.1997 k = 0.1316 0.3479 0.7472 ( 3134 PWs) bands (ev): -24.6791 -24.6791 -7.6462 -7.6462 -6.5821 -6.5821 -6.4909 -6.4909 0.9969 0.9969 2.5694 2.5694 4.9900 4.9900 5.0995 5.0995 6.1115 6.1115 6.2054 6.2054 6.2996 6.2996 6.3390 6.3390 6.5336 6.5336 6.5948 6.5948 6.6922 6.6922 6.7737 6.7737 6.8804 6.8804 7.7305 7.7305 8.3657 8.3657 8.7881 8.7881 9.1068 9.1068 11.7022 11.7022 13.7595 13.7595 14.1248 14.1248 k = 0.1382 0.3368 0.7601 ( 3134 PWs) bands (ev): -24.6788 -24.6788 -7.6471 -7.6471 -6.5820 -6.5820 -6.4937 -6.4937 0.9983 0.9983 2.6095 2.6095 4.9649 4.9649 5.0807 5.0807 6.1279 6.1279 6.2126 6.2126 6.2990 6.2990 6.3454 6.3454 6.5385 6.5385 6.6009 6.6009 6.6969 6.6969 6.7781 6.7781 6.8902 6.8902 7.7463 7.7463 8.3178 8.3178 8.6970 8.6970 9.0305 9.0305 11.7135 11.7135 13.8271 13.8271 14.0605 14.0605 k = 0.1447 0.3257 0.7730 ( 3128 PWs) bands (ev): -24.6785 -24.6785 -7.6480 -7.6480 -6.5820 -6.5820 -6.4963 -6.4963 0.9997 0.9997 2.6503 2.6503 4.9407 4.9407 5.0602 5.0602 6.1446 6.1446 6.2196 6.2196 6.2988 6.2988 6.3520 6.3520 6.5412 6.5412 6.6057 6.6057 6.7039 6.7039 6.7825 6.7825 6.9004 6.9004 7.7614 7.7614 8.2705 8.2705 8.6135 8.6135 8.9565 8.9565 11.7202 11.7202 13.8918 13.8918 14.0077 14.0077 k = 0.1513 0.3146 0.7858 ( 3122 PWs) bands (ev): -24.6782 -24.6782 -7.6489 -7.6489 -6.5822 -6.5822 -6.4986 -6.4986 1.0010 1.0010 2.6918 2.6918 4.9174 4.9174 5.0383 5.0383 6.1616 6.1616 6.2264 6.2264 6.2989 6.2989 6.3587 6.3587 6.5415 6.5415 6.6088 6.6088 6.7131 6.7131 6.7868 6.7868 6.9110 6.9110 7.7750 7.7750 8.2238 8.2238 8.5384 8.5384 8.8851 8.8851 11.7220 11.7220 13.9524 13.9524 13.9676 13.9676 k = 0.1579 0.3036 0.7987 ( 3124 PWs) bands (ev): -24.6779 -24.6779 -7.6498 -7.6498 -6.5827 -6.5827 -6.5005 -6.5005 1.0022 1.0022 2.7337 2.7337 4.8951 4.8951 5.0149 5.0149 6.1786 6.1786 6.2330 6.2330 6.2994 6.2994 6.3653 6.3653 6.5399 6.5399 6.6101 6.6101 6.7240 6.7240 6.7912 6.7912 6.9218 6.9218 7.7863 7.7863 8.1778 8.1778 8.4725 8.4725 8.8167 8.8167 11.7185 11.7185 13.9385 13.9385 14.0110 14.0110 k = 0.1645 0.2925 0.8116 ( 3120 PWs) bands (ev): -24.6776 -24.6776 -7.6507 -7.6507 -6.5833 -6.5833 -6.5021 -6.5021 1.0034 1.0034 2.7757 2.7757 4.8740 4.8740 4.9904 4.9904 6.1956 6.1956 6.2396 6.2396 6.3005 6.3005 6.3719 6.3719 6.5367 6.5367 6.6097 6.6097 6.7361 6.7361 6.7959 6.7959 6.9329 6.9329 7.7947 7.7947 8.1326 8.1326 8.4165 8.4165 8.7515 8.7515 11.7098 11.7098 13.9230 13.9230 14.0646 14.0646 k = 0.1711 0.2814 0.8245 ( 3118 PWs) bands (ev): -24.6773 -24.6773 -7.6516 -7.6516 -6.5842 -6.5842 -6.5034 -6.5034 1.0045 1.0045 2.8175 2.8175 4.8541 4.8541 4.9649 4.9649 6.2121 6.2121 6.2462 6.2462 6.3019 6.3019 6.3782 6.3782 6.5323 6.5323 6.6075 6.6075 6.7487 6.7487 6.8008 6.8008 6.9443 6.9443 7.7992 7.7992 8.0881 8.0881 8.3710 8.3710 8.6901 8.6901 11.6961 11.6961 13.9201 13.9201 14.1143 14.1143 k = 0.1776 0.2703 0.8374 ( 3118 PWs) bands (ev): -24.6771 -24.6771 -7.6524 -7.6524 -6.5851 -6.5851 -6.5044 -6.5044 1.0054 1.0054 2.8587 2.8587 4.8355 4.8355 4.9388 4.9388 6.2281 6.2281 6.2530 6.2530 6.3039 6.3039 6.3843 6.3843 6.5269 6.5269 6.6036 6.6036 6.7614 6.7614 6.8062 6.8062 6.9560 6.9560 7.7995 7.7995 8.0446 8.0446 8.3364 8.3364 8.6326 8.6326 11.6781 11.6781 13.9292 13.9292 14.1599 14.1599 k = 0.1842 0.2593 0.8503 ( 3116 PWs) bands (ev): -24.6768 -24.6768 -7.6532 -7.6532 -6.5862 -6.5862 -6.5051 -6.5051 1.0063 1.0063 2.8990 2.8990 4.8182 4.8182 4.9124 4.9124 6.2428 6.2428 6.2603 6.2603 6.3062 6.3062 6.3900 6.3900 6.5209 6.5209 6.5984 6.5984 6.7735 6.7735 6.8118 6.8118 6.9681 6.9681 7.7955 7.7955 8.0020 8.0020 8.3123 8.3123 8.5793 8.5793 11.6567 11.6567 13.9497 13.9497 14.2013 14.2013 k = 0.1908 0.2482 0.8631 ( 3114 PWs) bands (ev): -24.6766 -24.6766 -7.6540 -7.6540 -6.5873 -6.5873 -6.5057 -6.5057 1.0072 1.0072 2.9379 2.9379 4.8023 4.8023 4.8860 4.8860 6.2558 6.2558 6.2686 6.2686 6.3088 6.3088 6.3953 6.3953 6.5144 6.5144 6.5922 6.5922 6.7849 6.7849 6.8176 6.8176 6.9805 6.9805 7.7876 7.7876 7.9608 7.9608 8.2976 8.2976 8.5304 8.5304 11.6327 11.6327 13.9806 13.9806 14.2386 14.2386 k = 0.1974 0.2371 0.8760 ( 3112 PWs) bands (ev): -24.6764 -24.6764 -7.6547 -7.6547 -6.5884 -6.5884 -6.5061 -6.5061 1.0079 1.0079 2.9749 2.9749 4.7879 4.7879 4.8603 4.8603 6.2662 6.2662 6.2784 6.2784 6.3118 6.3118 6.4000 6.4000 6.5077 6.5077 6.5853 6.5853 6.7952 6.7952 6.8234 6.8234 6.9931 6.9931 7.7770 7.7770 7.9214 7.9214 8.2906 8.2906 8.4863 8.4863 11.6072 11.6072 14.0206 14.0206 14.2719 14.2719 k = 0.2039 0.2260 0.8889 ( 3112 PWs) bands (ev): -24.6762 -24.6762 -7.6554 -7.6554 -6.5895 -6.5895 -6.5063 -6.5063 1.0085 1.0085 3.0095 3.0095 4.7749 4.7749 4.8358 4.8358 6.2746 6.2746 6.2888 6.2888 6.3150 6.3150 6.4039 6.4039 6.5010 6.5010 6.5783 6.5783 6.8044 6.8044 6.8288 6.8288 7.0059 7.0059 7.7647 7.7647 7.8843 7.8843 8.2895 8.2895 8.4470 8.4470 11.5816 11.5816 14.0685 14.0685 14.3011 14.3011 k = 0.2105 0.2149 0.9018 ( 3112 PWs) bands (ev): -24.6761 -24.6761 -7.6560 -7.6560 -6.5905 -6.5905 -6.5064 -6.5064 1.0090 1.0090 3.0412 3.0412 4.7633 4.7633 4.8130 4.8130 6.2820 6.2820 6.2985 6.2985 6.3186 6.3186 6.4067 6.4067 6.4945 6.4945 6.5716 6.5716 6.8125 6.8125 6.8336 6.8336 7.0184 7.0184 7.7519 7.7519 7.8502 7.8502 8.2922 8.2922 8.4128 8.4128 11.5567 11.5567 14.1225 14.1225 14.3264 14.3264 k = 0.2171 0.2039 0.9147 ( 3112 PWs) bands (ev): -24.6759 -24.6759 -7.6565 -7.6565 -6.5914 -6.5914 -6.5065 -6.5065 1.0095 1.0095 3.0693 3.0693 4.7530 4.7530 4.7927 4.7927 6.2889 6.2889 6.3065 6.3065 6.3229 6.3229 6.4080 6.4080 6.4888 6.4888 6.5656 6.5656 6.8195 6.8195 6.8377 6.8377 7.0305 7.0305 7.7395 7.7395 7.8199 7.8199 8.2972 8.2972 8.3837 8.3837 11.5338 11.5338 14.1806 14.1806 14.3479 14.3479 k = 0.2237 0.1928 0.9276 ( 3116 PWs) bands (ev): -24.6758 -24.6758 -7.6569 -7.6569 -6.5922 -6.5922 -6.5065 -6.5065 1.0099 1.0099 3.0934 3.0934 4.7439 4.7439 4.7756 4.7756 6.2951 6.2951 6.3118 6.3118 6.3285 6.3285 6.4074 6.4074 6.4842 6.4842 6.5605 6.5605 6.8256 6.8256 6.8407 6.8407 7.0416 7.0416 7.7280 7.7280 7.7942 7.7942 8.3030 8.3030 8.3598 8.3598 11.5137 11.5137 14.2401 14.2401 14.3656 14.3656 k = 0.2303 0.1817 0.9404 ( 3118 PWs) bands (ev): -24.6757 -24.6757 -7.6573 -7.6573 -6.5928 -6.5928 -6.5065 -6.5065 1.0102 1.0102 3.1128 3.1128 4.7361 4.7361 4.7625 4.7625 6.3007 6.3007 6.3145 6.3145 6.3351 6.3351 6.4049 6.4049 6.4810 6.4810 6.5565 6.5565 6.8307 6.8307 6.8426 6.8426 7.0510 7.0510 7.7181 7.7181 7.7738 7.7738 8.3084 8.3084 8.3414 8.3414 11.4971 11.4971 14.2970 14.2970 14.3797 14.3797 k = 0.2368 0.1706 0.9533 ( 3114 PWs) bands (ev): -24.6757 -24.6757 -7.6575 -7.6575 -6.5933 -6.5933 -6.5064 -6.5064 1.0104 1.0104 3.1270 3.1270 4.7296 4.7296 4.7535 4.7535 6.3054 6.3054 6.3153 6.3153 6.3418 6.3418 6.4011 6.4011 6.4792 6.4792 6.5537 6.5537 6.8350 6.8350 6.8436 6.8436 7.0584 7.0584 7.7101 7.7101 7.7592 7.7592 8.3124 8.3124 8.3285 8.3285 11.4849 11.4849 14.3455 14.3455 14.3908 14.3908 k = 0.2434 0.1596 0.9662 ( 3110 PWs) bands (ev): -24.6756 -24.6756 -7.6577 -7.6577 -6.5936 -6.5936 -6.5064 -6.5064 1.0105 1.0105 3.1357 3.1357 4.7253 4.7253 4.7485 4.7485 6.3093 6.3093 6.3148 6.3148 6.3470 6.3470 6.3976 6.3976 6.4784 6.4784 6.5520 6.5520 6.8380 6.8380 6.8436 6.8436 7.0630 7.0630 7.7048 7.7048 7.7506 7.7506 8.3137 8.3137 8.3222 8.3222 11.4773 11.4773 14.3762 14.3762 14.4010 14.4010 k = 0.2500 0.1485 0.9791 ( 3108 PWs) bands (ev): -24.6756 -24.6756 -7.6577 -7.6577 -6.5936 -6.5936 -6.5064 -6.5064 1.0105 1.0105 3.1386 3.1386 4.7237 4.7237 4.7469 4.7469 6.3113 6.3113 6.3139 6.3139 6.3490 6.3490 6.3961 6.3961 6.4781 6.4781 6.5514 6.5514 6.8393 6.8393 6.8433 6.8433 7.0646 7.0646 7.7030 7.7030 7.7478 7.7478 8.3131 8.3131 8.3211 8.3211 11.4748 11.4748 14.3846 14.3846 14.4074 14.4074 k = 0.2500 0.1485 0.9791 ( 3108 PWs) bands (ev): -24.6756 -24.6756 -7.6577 -7.6577 -6.5936 -6.5936 -6.5064 -6.5064 1.0105 1.0105 3.1386 3.1386 4.7237 4.7237 4.7469 4.7469 6.3113 6.3113 6.3139 6.3139 6.3490 6.3490 6.3961 6.3961 6.4781 6.4781 6.5514 6.5514 6.8393 6.8393 6.8433 6.8433 7.0646 7.0646 7.7030 7.7030 7.7478 7.7478 8.3131 8.3131 8.3211 8.3211 11.4748 11.4748 14.3846 14.3846 14.4074 14.4074 k = 0.2632 0.1563 0.9700 ( 3111 PWs) bands (ev): -24.6756 -24.6756 -7.6577 -7.6577 -6.5936 -6.5936 -6.5064 -6.5064 1.0105 1.0105 3.1380 3.1380 4.7240 4.7240 4.7474 4.7474 6.3102 6.3102 6.3141 6.3141 6.3492 6.3492 6.3965 6.3965 6.4785 6.4785 6.5516 6.5516 6.8390 6.8390 6.8433 6.8433 7.0626 7.0626 7.7033 7.7033 7.7487 7.7487 8.2860 8.2860 8.3493 8.3493 11.4792 11.4792 14.2809 14.2809 14.5101 14.5101 k = 0.2763 0.1641 0.9609 ( 3115 PWs) bands (ev): -24.6756 -24.6756 -7.6577 -7.6577 -6.5935 -6.5935 -6.5064 -6.5064 1.0104 1.0104 3.1361 3.1361 4.7254 4.7254 4.7489 4.7489 6.3075 6.3075 6.3142 6.3142 6.3498 6.3498 6.3977 6.3977 6.4796 6.4796 6.5521 6.5521 6.8381 6.8381 6.8434 6.8434 7.0569 7.0569 7.7038 7.7038 7.7517 7.7517 8.2578 8.2578 8.3807 8.3807 11.4921 11.4921 14.1683 14.1683 14.6171 14.6171 k = 0.2895 0.1719 0.9518 ( 3116 PWs) bands (ev): -24.6756 -24.6756 -7.6576 -7.6576 -6.5934 -6.5934 -6.5064 -6.5064 1.0103 1.0103 3.1324 3.1324 4.7281 4.7281 4.7513 4.7513 6.3039 6.3039 6.3139 6.3139 6.3508 6.3508 6.3993 6.3993 6.4815 6.4815 6.5532 6.5532 6.8367 6.8367 6.8435 6.8435 7.0477 7.0477 7.7041 7.7041 7.7568 7.7568 8.2308 8.2308 8.4134 8.4134 11.5132 11.5132 14.0595 14.0595 14.7092 14.7092 k = 0.3026 0.1798 0.9427 ( 3117 PWs) bands (ev): -24.6757 -24.6757 -7.6575 -7.6575 -6.5933 -6.5933 -6.5065 -6.5065 1.0103 1.0103 3.1267 3.1267 4.7324 4.7324 4.7548 4.7548 6.2997 6.2997 6.3131 6.3131 6.3521 6.3521 6.4011 6.4011 6.4841 6.4841 6.5549 6.5549 6.8348 6.8348 6.8435 6.8435 7.0351 7.0351 7.7040 7.7040 7.7637 7.7637 8.2057 8.2057 8.4472 8.4472 11.5419 11.5419 13.9548 13.9548 14.7730 14.7730 k = 0.3158 0.1876 0.9336 ( 3116 PWs) bands (ev): -24.6757 -24.6757 -7.6574 -7.6574 -6.5930 -6.5930 -6.5065 -6.5065 1.0105 1.0105 3.1188 3.1188 4.7383 4.7383 4.7595 4.7595 6.2952 6.2952 6.3118 6.3118 6.3537 6.3537 6.4027 6.4027 6.4873 6.4873 6.5572 6.5572 6.8324 6.8324 6.8433 6.8433 7.0195 7.0195 7.7036 7.7036 7.7721 7.7721 8.1827 8.1827 8.4820 8.4820 11.5776 11.5776 13.8546 13.8546 14.7901 14.7901 k = 0.3289 0.1954 0.9245 ( 3110 PWs) bands (ev): -24.6757 -24.6757 -7.6573 -7.6573 -6.5928 -6.5928 -6.5066 -6.5066 1.0110 1.0110 3.1085 3.1085 4.7455 4.7455 4.7659 4.7659 6.2903 6.2903 6.3101 6.3101 6.3556 6.3556 6.4041 6.4041 6.4909 6.4909 6.5601 6.5601 6.8296 6.8296 6.8432 6.8432 7.0012 7.0012 7.7029 7.7029 7.7817 7.7817 8.1622 8.1622 8.5176 8.5176 11.6196 11.6196 13.7592 13.7592 14.7577 14.7577 k = 0.3421 0.2032 0.9155 ( 3118 PWs) bands (ev): -24.6758 -24.6758 -7.6571 -7.6571 -6.5924 -6.5924 -6.5066 -6.5066 1.0117 1.0117 3.0956 3.0956 4.7533 4.7533 4.7748 4.7748 6.2848 6.2848 6.3080 6.3080 6.3578 6.3578 6.4051 6.4051 6.4949 6.4949 6.5637 6.5637 6.8262 6.8262 6.8429 6.8429 6.9805 6.9805 7.7021 7.7021 7.7922 7.7922 8.1446 8.1446 8.5538 8.5538 11.6669 11.6669 13.6690 13.6690 14.6924 14.6924 k = 0.3553 0.2110 0.9064 ( 3118 PWs) bands (ev): -24.6758 -24.6758 -7.6570 -7.6570 -6.5921 -6.5921 -6.5067 -6.5067 1.0128 1.0128 3.0802 3.0802 4.7610 4.7610 4.7869 4.7869 6.2788 6.2788 6.3059 6.3059 6.3604 6.3604 6.4058 6.4058 6.4991 6.4991 6.5680 6.5680 6.8222 6.8222 6.8425 6.8425 6.9578 6.9578 7.7014 7.7014 7.8037 7.8037 8.1299 8.1299 8.5904 8.5904 11.7188 11.7188 13.5842 13.5842 14.6088 14.6088 k = 0.3684 0.2188 0.8973 ( 3116 PWs) bands (ev): -24.6759 -24.6759 -7.6568 -7.6568 -6.5917 -6.5917 -6.5068 -6.5068 1.0143 1.0143 3.0623 3.0623 4.7685 4.7685 4.8023 4.8023 6.2720 6.2720 6.3041 6.3041 6.3634 6.3634 6.4061 6.4061 6.5034 6.5034 6.5728 6.5728 6.8176 6.8176 6.8422 6.8422 6.9336 6.9336 7.7007 7.7007 7.8163 7.8163 8.1180 8.1180 8.6271 8.6271 11.7742 11.7742 13.5052 13.5052 14.5156 14.5156 k = 0.3816 0.2266 0.8882 ( 3115 PWs) bands (ev): -24.6759 -24.6759 -7.6565 -7.6565 -6.5912 -6.5912 -6.5069 -6.5069 1.0162 1.0162 3.0419 3.0419 4.7758 4.7758 4.8206 4.8206 6.2643 6.2643 6.3026 6.3026 6.3666 6.3666 6.4061 6.4061 6.5078 6.5078 6.5781 6.5781 6.8118 6.8118 6.8415 6.8415 6.9084 6.9084 7.7003 7.7003 7.8303 7.8303 8.1088 8.1088 8.6638 8.6638 11.8318 11.8318 13.4322 13.4322 14.4179 14.4179 k = 0.3947 0.2345 0.8791 ( 3113 PWs) bands (ev): -24.6760 -24.6760 -7.6563 -7.6563 -6.5907 -6.5907 -6.5070 -6.5070 1.0185 1.0185 3.0191 3.0191 4.7834 4.7834 4.8413 4.8413 6.2557 6.2557 6.3017 6.3017 6.3701 6.3701 6.4059 6.4059 6.5122 6.5122 6.5838 6.5838 6.8046 6.8046 6.8407 6.8407 6.8834 6.8834 7.7000 7.7000 7.8462 7.8462 8.1020 8.1020 8.7001 8.7001 11.8906 11.8906 13.3657 13.3657 14.3194 14.3194 k = 0.4079 0.2423 0.8700 ( 3119 PWs) bands (ev): -24.6761 -24.6761 -7.6560 -7.6560 -6.5901 -6.5901 -6.5072 -6.5072 1.0212 1.0212 2.9942 2.9942 4.7912 4.7912 4.8642 4.8642 6.2464 6.2464 6.3013 6.3013 6.3736 6.3736 6.4054 6.4054 6.5166 6.5166 6.5895 6.5895 6.7947 6.7947 6.8387 6.8387 6.8607 6.8607 7.7000 7.7000 7.8644 7.8644 8.0972 8.0972 8.7357 8.7357 11.9489 11.9489 13.3058 13.3058 14.2230 14.2230 k = 0.4211 0.2501 0.8609 ( 3121 PWs) bands (ev): -24.6761 -24.6761 -7.6558 -7.6558 -6.5895 -6.5895 -6.5073 -6.5073 1.0244 1.0244 2.9673 2.9673 4.7994 4.7994 4.8886 4.8886 6.2363 6.2363 6.3015 6.3015 6.3771 6.3771 6.4049 6.4049 6.5209 6.5209 6.5954 6.5954 6.7802 6.7802 6.8317 6.8317 6.8466 6.8466 7.7001 7.7001 7.8854 7.8854 8.0940 8.0940 8.7703 8.7703 12.0052 12.0052 13.2529 13.2529 14.1313 14.1313 k = 0.4342 0.2579 0.8518 ( 3119 PWs) bands (ev): -24.6762 -24.6762 -7.6554 -7.6554 -6.5888 -6.5888 -6.5075 -6.5075 1.0279 1.0279 2.9388 2.9388 4.8081 4.8081 4.9144 4.9144 6.2257 6.2257 6.3023 6.3023 6.3804 6.3804 6.4044 6.4044 6.5251 6.5251 6.6013 6.6013 6.7599 6.7599 6.8197 6.8197 6.8431 6.8431 7.7005 7.7005 7.9098 7.9098 8.0920 8.0920 8.8037 8.8037 12.0576 12.0576 13.2073 13.2073 14.0467 14.0467 k = 0.4474 0.2657 0.8427 ( 3119 PWs) bands (ev): -24.6763 -24.6763 -7.6551 -7.6551 -6.5881 -6.5881 -6.5077 -6.5077 1.0317 1.0317 2.9088 2.9088 4.8171 4.8171 4.9410 4.9410 6.2147 6.2147 6.3034 6.3034 6.3833 6.3833 6.4041 6.4041 6.5292 6.5292 6.6071 6.6071 6.7353 6.7353 6.8096 6.8096 6.8419 6.8419 7.7010 7.7010 7.9378 7.9378 8.0908 8.0908 8.8355 8.8355 12.1039 12.1039 13.1694 13.1694 13.9715 13.9715 k = 0.4605 0.2735 0.8336 ( 3121 PWs) bands (ev): -24.6764 -24.6764 -7.6548 -7.6548 -6.5873 -6.5873 -6.5079 -6.5079 1.0358 1.0358 2.8777 2.8777 4.8267 4.8267 4.9681 4.9681 6.2033 6.2033 6.3050 6.3050 6.3855 6.3855 6.4040 6.4040 6.5330 6.5330 6.6129 6.6129 6.7086 6.7086 6.8015 6.8015 6.8412 6.8412 7.7016 7.7016 7.9698 7.9698 8.0903 8.0903 8.8654 8.8654 12.1420 12.1420 13.1392 13.1392 13.9082 13.9082 k = 0.4737 0.2814 0.8246 ( 3122 PWs) bands (ev): -24.6765 -24.6765 -7.6544 -7.6544 -6.5865 -6.5865 -6.5081 -6.5081 1.0401 1.0401 2.8458 2.8458 4.8367 4.8367 4.9953 4.9953 6.1918 6.1918 6.3069 6.3069 6.3868 6.3868 6.4044 6.4044 6.5361 6.5361 6.6188 6.6188 6.6819 6.6819 6.7946 6.7946 6.8406 6.8406 7.7023 7.7023 8.0055 8.0055 8.0903 8.0903 8.8932 8.8932 12.1697 12.1697 13.1173 13.1173 13.8589 13.8589 k = 0.4868 0.2892 0.8155 ( 3126 PWs) bands (ev): -24.6766 -24.6766 -7.6540 -7.6540 -6.5856 -6.5856 -6.5083 -6.5083 1.0444 1.0444 2.8134 2.8134 4.8472 4.8472 5.0220 5.0220 6.1802 6.1802 6.3090 6.3090 6.3870 6.3870 6.4051 6.4051 6.5384 6.5384 6.6249 6.6249 6.6565 6.6565 6.7884 6.7884 6.8402 6.8402 7.7031 7.7031 8.0433 8.0433 8.0925 8.0925 8.9185 8.9185 12.1854 12.1854 13.1036 13.1036 13.8253 13.8253 k = 0.5000 0.2970 0.8064 ( 3116 PWs) bands (ev): -24.6767 -24.6767 -7.6536 -7.6536 -6.5847 -6.5847 -6.5085 -6.5085 1.0487 1.0487 2.7809 2.7809 4.8583 4.8583 5.0481 5.0481 6.1687 6.1687 6.3113 6.3113 6.3862 6.3862 6.4058 6.4058 6.5391 6.5391 6.6285 6.6285 6.6368 6.6368 6.7828 6.7828 6.8400 6.8400 7.7041 7.7041 8.0714 8.0714 8.1085 8.1085 8.9411 8.9411 12.1879 12.1879 13.0984 13.0984 13.8086 13.8086 k = 0.5000 0.2970 0.8064 ( 3116 PWs) bands (ev): -24.6767 -24.6767 -7.6536 -7.6536 -6.5847 -6.5847 -6.5085 -6.5085 1.0487 1.0487 2.7809 2.7809 4.8583 4.8583 5.0481 5.0481 6.1687 6.1687 6.3113 6.3113 6.3862 6.3862 6.4058 6.4058 6.5391 6.5391 6.6285 6.6285 6.6368 6.6368 6.7828 6.7828 6.8400 6.8400 7.7041 7.7041 8.0714 8.0714 8.1085 8.1085 8.9411 8.9411 12.1879 12.1879 13.0984 13.0984 13.8086 13.8086 k = 0.5000 0.2970 0.7881 ( 3128 PWs) bands (ev): -24.6770 -24.6770 -7.6527 -7.6527 -6.5827 -6.5827 -6.5089 -6.5089 1.0574 1.0574 2.7145 2.7145 4.8823 4.8823 5.0995 5.0995 6.1449 6.1449 6.3153 6.3153 6.3833 6.3833 6.4066 6.4066 6.5379 6.5379 6.6147 6.6147 6.6219 6.6219 6.7720 6.7720 6.8394 6.8394 7.7061 7.7061 8.1017 8.1017 8.1764 8.1764 8.9858 8.9858 12.1795 12.1795 13.0968 13.0968 13.7854 13.7854 k = 0.5000 0.2970 0.7697 ( 3128 PWs) bands (ev): -24.6772 -24.6772 -7.6516 -7.6516 -6.5805 -6.5805 -6.5094 -6.5094 1.0663 1.0663 2.6467 2.6467 4.9086 4.9086 5.1503 5.1503 6.1202 6.1202 6.3186 6.3186 6.3797 6.3797 6.4071 6.4071 6.5353 6.5353 6.6007 6.6007 6.6081 6.6081 6.7616 6.7616 6.8390 6.8390 7.7082 7.7082 8.1360 8.1360 8.2514 8.2514 9.0340 9.0340 12.1712 12.1712 13.0954 13.0954 13.7492 13.7492 k = 0.5000 0.2970 0.7514 ( 3128 PWs) bands (ev): -24.6775 -24.6775 -7.6506 -7.6506 -6.5780 -6.5780 -6.5098 -6.5098 1.0752 1.0752 2.5780 2.5780 4.9372 4.9372 5.2001 5.2001 6.0944 6.0944 6.3203 6.3203 6.3753 6.3753 6.4071 6.4071 6.5302 6.5302 6.5866 6.5866 6.5976 6.5976 6.7521 6.7521 6.8386 6.8386 7.7107 7.7107 8.1747 8.1747 8.3328 8.3328 9.0857 9.0857 12.1633 12.1633 13.0944 13.0944 13.7006 13.7006 k = 0.5000 0.2970 0.7331 ( 3132 PWs) bands (ev): -24.6778 -24.6778 -7.6494 -7.6494 -6.5754 -6.5754 -6.5103 -6.5103 1.0839 1.0839 2.5089 2.5089 4.9680 4.9680 5.2482 5.2482 6.0675 6.0675 6.3199 6.3199 6.3699 6.3699 6.4063 6.4063 6.5217 6.5217 6.5736 6.5736 6.5920 6.5920 6.7437 6.7437 6.8382 6.8382 7.7133 7.7133 8.2179 8.2179 8.4204 8.4204 9.1406 9.1406 12.1560 12.1560 13.0939 13.0939 13.6411 13.6411 k = 0.5000 0.2970 0.7147 ( 3138 PWs) bands (ev): -24.6782 -24.6782 -7.6481 -7.6481 -6.5726 -6.5726 -6.5108 -6.5108 1.0923 1.0923 2.4398 2.4398 5.0009 5.0009 5.2943 5.2943 6.0397 6.0397 6.3166 6.3166 6.3634 6.3634 6.4045 6.4045 6.5105 6.5105 6.5623 6.5623 6.5917 6.5917 6.7366 6.7366 6.8380 6.8380 7.7160 7.7160 8.2653 8.2653 8.5140 8.5140 9.1986 9.1986 12.1496 12.1496 13.0939 13.0939 13.5726 13.5726 k = 0.5000 0.2970 0.6964 ( 3134 PWs) bands (ev): -24.6785 -24.6785 -7.6468 -7.6468 -6.5696 -6.5696 -6.5112 -6.5112 1.1002 1.1002 2.3709 2.3709 5.0361 5.0361 5.3383 5.3383 6.0109 6.0109 6.3101 6.3101 6.3558 6.3558 6.4015 6.4015 6.4984 6.4984 6.5533 6.5533 6.5959 6.5959 6.7311 6.7311 6.8378 6.8378 7.7190 7.7190 8.3168 8.3168 8.6135 8.6135 9.2595 9.2595 12.1442 12.1442 13.0946 13.0946 13.4971 13.4971 k = 0.5000 0.2970 0.6781 ( 3132 PWs) bands (ev): -24.6789 -24.6789 -7.6453 -7.6453 -6.5664 -6.5664 -6.5117 -6.5117 1.1073 1.1073 2.3026 2.3026 5.0732 5.0732 5.3799 5.3799 5.9809 5.9809 6.3004 6.3004 6.3468 6.3468 6.3971 6.3971 6.4869 6.4869 6.5467 6.5467 6.6038 6.6038 6.7273 6.7273 6.8378 6.8378 7.7222 7.7222 8.3721 8.3721 8.7186 8.7186 9.3233 9.3233 12.1402 12.1402 13.0959 13.0959 13.4165 13.4165 k = 0.5000 0.2970 0.6598 ( 3140 PWs) bands (ev): -24.6792 -24.6792 -7.6438 -7.6438 -6.5631 -6.5631 -6.5121 -6.5121 1.1136 1.1136 2.2351 2.2351 5.1124 5.1124 5.4190 5.4190 5.9499 5.9499 6.2882 6.2882 6.3363 6.3363 6.3913 6.3913 6.4766 6.4766 6.5426 6.5426 6.6149 6.6149 6.7253 6.7253 6.8381 6.8381 7.7255 7.7255 8.4310 8.4310 8.8289 8.8289 9.3897 9.3897 12.1376 12.1376 13.0979 13.0979 13.3326 13.3326 k = 0.5000 0.2970 0.6414 ( 3138 PWs) bands (ev): -24.6796 -24.6796 -7.6422 -7.6422 -6.5595 -6.5595 -6.5126 -6.5126 1.1187 1.1187 2.1686 2.1686 5.1535 5.1535 5.4556 5.4556 5.9179 5.9179 6.2745 6.2745 6.3243 6.3243 6.3840 6.3840 6.4678 6.4678 6.5412 6.5412 6.6290 6.6290 6.7251 6.7251 6.8386 6.8386 7.7290 7.7290 8.4932 8.4932 8.9443 8.9443 9.4588 9.4588 12.1369 12.1369 13.1005 13.1005 13.2467 13.2467 k = 0.5000 0.2970 0.6231 ( 3142 PWs) bands (ev): -24.6800 -24.6800 -7.6406 -7.6406 -6.5558 -6.5558 -6.5129 -6.5129 1.1226 1.1226 2.1032 2.1032 5.1964 5.1964 5.4896 5.4896 5.8851 5.8851 6.2603 6.2603 6.3109 6.3109 6.3753 6.3753 6.4603 6.4603 6.5421 6.5421 6.6455 6.6455 6.7269 6.7269 6.8395 6.8395 7.7327 7.7327 8.5584 8.5584 9.0643 9.0643 9.5303 9.5303 12.1381 12.1381 13.1032 13.1032 13.1603 13.1603 k = 0.5000 0.2970 0.6048 ( 3136 PWs) bands (ev): -24.6804 -24.6804 -7.6389 -7.6389 -6.5520 -6.5520 -6.5133 -6.5133 1.1250 1.1250 2.0390 2.0390 5.2411 5.2411 5.5211 5.5211 5.8518 5.8518 6.2463 6.2463 6.2965 6.2965 6.3654 6.3654 6.4542 6.4542 6.5448 6.5448 6.6639 6.6639 6.7311 6.7311 6.8411 6.8411 7.7365 7.7365 8.6264 8.6264 9.1886 9.1886 9.6042 9.6042 12.1417 12.1417 13.0712 13.0712 13.1090 13.1090 k = 0.5000 0.2970 0.5865 ( 3152 PWs) bands (ev): -24.6809 -24.6809 -7.6371 -7.6371 -6.5481 -6.5481 -6.5135 -6.5135 1.1258 1.1258 1.9763 1.9763 5.2874 5.2874 5.5501 5.5501 5.8180 5.8180 6.2330 6.2330 6.2812 6.2812 6.3544 6.3544 6.4489 6.4489 6.5490 6.5490 6.6826 6.6826 6.7383 6.7383 6.8432 6.8432 7.7407 7.7407 8.6968 8.6968 9.3168 9.3168 9.6804 9.6804 12.1478 12.1478 12.9862 12.9862 13.1115 13.1115 k = 0.5000 0.2970 0.5681 ( 3152 PWs) bands (ev): -24.6813 -24.6813 -7.6353 -7.6353 -6.5440 -6.5440 -6.5136 -6.5136 1.1250 1.1250 1.9151 1.9151 5.3351 5.3351 5.5768 5.5768 5.7845 5.7845 6.2206 6.2206 6.2656 6.2656 6.3429 6.3429 6.4446 6.4446 6.5545 6.5545 6.6998 6.6998 6.7505 6.7505 6.8465 6.8465 7.7451 7.7451 8.7695 8.7695 9.4483 9.4483 9.7588 9.7588 12.1568 12.1568 12.9020 12.9020 13.1138 13.1138 k = 0.5000 0.2970 0.5498 ( 3140 PWs) bands (ev): -24.6817 -24.6817 -7.6334 -7.6334 -6.5399 -6.5399 -6.5136 -6.5136 1.1223 1.1223 1.8554 1.8554 5.3842 5.3842 5.6009 5.6009 5.7518 5.7518 6.2091 6.2091 6.2501 6.2501 6.3313 6.3313 6.4409 6.4409 6.5610 6.5610 6.7133 6.7133 6.7689 6.7689 6.8515 6.8515 7.7498 7.7498 8.8441 8.8441 9.5827 9.5827 9.8395 9.8395 12.1690 12.1690 12.8199 12.8199 13.1137 13.1138 k = 0.5000 0.2970 0.5315 ( 3136 PWs) bands (ev): -24.6822 -24.6822 -7.6315 -7.6315 -6.5359 -6.5359 -6.5134 -6.5134 1.1178 1.1178 1.7974 1.7974 5.4341 5.4341 5.6221 5.6221 5.7208 5.7208 6.1980 6.1980 6.2351 6.2351 6.3199 6.3199 6.4377 6.4377 6.5684 6.5684 6.7233 6.7233 6.7916 6.7916 6.8597 6.8597 7.7548 7.7548 8.9203 8.9203 9.7194 9.7194 9.9221 9.9221 12.1848 12.1848 12.7406 12.7406 13.1083 13.1083 k = 0.5000 0.2970 0.5131 ( 3144 PWs) bands (ev): -24.6826 -24.6826 -7.6295 -7.6295 -6.5321 -6.5321 -6.5128 -6.5128 1.1114 1.1114 1.7412 1.7412 5.4845 5.4845 5.6379 5.6379 5.6945 5.6945 6.1864 6.1864 6.2213 6.2213 6.3092 6.3092 6.4348 6.4348 6.5764 6.5764 6.7315 6.7315 6.8138 6.8138 6.8741 6.8741 7.7600 7.7600 8.9977 8.9977 9.8577 9.8577 10.0069 10.0069 12.2044 12.2044 12.6645 12.6645 13.0917 13.0917 k = 0.5000 0.2970 0.4948 ( 3144 PWs) bands (ev): -24.6831 -24.6831 -7.6275 -7.6275 -6.5286 -6.5286 -6.5117 -6.5117 1.1031 1.1031 1.6867 1.6867 5.5335 5.5335 5.6392 5.6392 5.6843 5.6843 6.1738 6.1738 6.2093 6.2093 6.2997 6.2997 6.4322 6.4322 6.5849 6.5849 6.7389 6.7389 6.8311 6.8311 6.8983 6.8983 7.7658 7.7658 9.0760 9.0760 9.9968 9.9968 10.0937 10.0937 12.2285 12.2285 12.5922 12.5922 13.0540 13.0540 k = 0.5000 0.2970 0.4765 ( 3144 PWs) bands (ev): -24.6835 -24.6835 -7.6255 -7.6255 -6.5258 -6.5258 -6.5098 -6.5098 1.0929 1.0929 1.6340 1.6340 5.5716 5.5716 5.6324 5.6324 5.6934 5.6934 6.1599 6.1599 6.1990 6.1990 6.2918 6.2918 6.4299 6.4299 6.5937 6.5937 6.7461 6.7461 6.8433 6.8433 6.9319 6.9319 7.7719 7.7719 9.1548 9.1548 10.1355 10.1355 10.1830 10.1830 12.2574 12.2574 12.5242 12.5242 12.9830 12.9830 k = 0.5000 0.2970 0.4582 ( 3144 PWs) bands (ev): -24.6840 -24.6840 -7.6235 -7.6235 -6.5237 -6.5237 -6.5070 -6.5070 1.0809 1.0809 1.5832 1.5832 5.5701 5.5701 5.6602 5.6602 5.7076 5.7076 6.1449 6.1449 6.1898 6.1898 6.2858 6.2858 6.4279 6.4279 6.6028 6.6028 6.7534 6.7534 6.8532 6.8532 6.9720 6.9720 7.7786 7.7786 9.2336 9.2336 10.2643 10.2643 10.2835 10.2835 12.2917 12.2917 12.4611 12.4611 12.8761 12.8761 k = 0.5000 0.2970 0.4398 ( 3144 PWs) bands (ev): -24.6844 -24.6844 -7.6214 -7.6214 -6.5224 -6.5224 -6.5034 -6.5034 1.0672 1.0672 1.5343 1.5343 5.5484 5.5484 5.7053 5.7053 5.7250 5.7250 6.1294 6.1294 6.1809 6.1809 6.2820 6.2820 6.4263 6.4263 6.6118 6.6118 6.7611 6.7611 6.8627 6.8627 7.0166 7.0166 7.7857 7.7857 9.3120 9.3120 10.3614 10.3614 10.4157 10.4157 12.3317 12.3317 12.4034 12.4034 12.7432 12.7432 k = 0.5000 0.2970 0.4215 ( 3148 PWs) bands (ev): -24.6849 -24.6849 -7.6194 -7.6194 -6.5216 -6.5216 -6.4992 -6.4992 1.0518 1.0518 1.4873 1.4873 5.5240 5.5240 5.7306 5.7306 5.7649 5.7649 6.1136 6.1136 6.1720 6.1720 6.2804 6.2804 6.4251 6.4251 6.6205 6.6205 6.7694 6.7694 6.8725 6.8725 7.0648 7.0648 7.7935 7.7935 9.3893 9.3893 10.4555 10.4555 10.5501 10.5501 12.3494 12.3494 12.3803 12.3803 12.5960 12.5960 k = 0.5000 0.2970 0.4032 ( 3140 PWs) bands (ev): -24.6853 -24.6853 -7.6173 -7.6173 -6.5210 -6.5210 -6.4946 -6.4946 1.0350 1.0350 1.4422 1.4422 5.4998 5.4998 5.7442 5.7442 5.8160 5.8160 6.0981 6.0981 6.1629 6.1629 6.2809 6.2809 6.4245 6.4245 6.6286 6.6286 6.7787 6.7787 6.8830 6.8830 7.1163 7.1163 7.8020 7.8020 9.4649 9.4649 10.5507 10.5507 10.6814 10.6814 12.3042 12.3042 12.4333 12.4333 12.4419 12.4419 k = 0.5000 0.2970 0.3849 ( 3138 PWs) bands (ev): -24.6857 -24.6857 -7.6153 -7.6153 -6.5207 -6.5207 -6.4898 -6.4898 1.0168 1.0168 1.3991 1.3991 5.4766 5.4766 5.7560 5.7560 5.8675 5.8675 6.0830 6.0830 6.1535 6.1535 6.2829 6.2829 6.4244 6.4244 6.6359 6.6359 6.7893 6.7893 6.8946 6.8946 7.1708 7.1708 7.8113 7.8113 9.5383 9.5383 10.6472 10.6472 10.8083 10.8083 12.2620 12.2620 12.2880 12.2880 12.4945 12.4945 k = 0.5000 0.2970 0.3665 ( 3142 PWs) bands (ev): -24.6862 -24.6862 -7.6134 -7.6134 -6.5204 -6.5204 -6.4849 -6.4849 0.9976 0.9976 1.3579 1.3579 5.4545 5.4545 5.7667 5.7667 5.9176 5.9176 6.0685 6.0685 6.1442 6.1442 6.2861 6.2861 6.4252 6.4252 6.6420 6.6420 6.8011 6.8011 6.9073 6.9073 7.2279 7.2279 7.8215 7.8215 9.6086 9.6086 10.7449 10.7449 10.9298 10.9298 12.1251 12.1251 12.2351 12.2351 12.5632 12.5632 k = 0.5000 0.2970 0.3482 ( 3146 PWs) bands (ev): -24.6866 -24.6866 -7.6114 -7.6114 -6.5201 -6.5201 -6.4800 -6.4800 0.9774 0.9774 1.3188 1.3188 5.4337 5.4337 5.7765 5.7765 5.9652 5.9652 6.0549 6.0549 6.1354 6.1354 6.2902 6.2902 6.4268 6.4268 6.6469 6.6469 6.8141 6.8141 6.9216 6.9216 7.2876 7.2876 7.8328 7.8328 9.6752 9.6752 10.8437 10.8437 11.0451 11.0451 11.9682 11.9682 12.2104 12.2104 12.6392 12.6392 k = 0.5000 0.2970 0.3299 ( 3150 PWs) bands (ev): -24.6870 -24.6870 -7.6095 -7.6095 -6.5199 -6.5199 -6.4750 -6.4750 0.9565 0.9565 1.2816 1.2816 5.4142 5.4142 5.7856 5.7856 6.0071 6.0071 6.0440 6.0440 6.1281 6.1281 6.2949 6.2949 6.4296 6.4296 6.6504 6.6504 6.8283 6.8283 6.9377 6.9377 7.3496 7.3496 7.8454 7.8454 9.7373 9.7373 10.9435 10.9435 11.1537 11.1537 11.8124 11.8124 12.1936 12.1936 12.7215 12.7215 k = 0.5000 0.2970 0.3116 ( 3150 PWs) bands (ev): -24.6874 -24.6874 -7.6077 -7.6077 -6.5197 -6.5197 -6.4701 -6.4701 0.9351 0.9351 1.2464 1.2464 5.3961 5.3961 5.7939 5.7939 6.0218 6.0218 6.0542 6.0542 6.1251 6.1251 6.3002 6.3002 6.4335 6.4335 6.6526 6.6526 6.8431 6.8431 6.9560 6.9560 7.4137 7.4137 7.8594 7.8594 9.7944 9.7944 11.0442 11.0442 11.2554 11.2554 11.6586 11.6586 12.1845 12.1845 12.8081 12.8081 k = 0.5000 0.2970 0.2932 ( 3154 PWs) bands (ev): -24.6878 -24.6878 -7.6059 -7.6059 -6.5195 -6.5195 -6.4653 -6.4653 0.9135 0.9135 1.2133 1.2133 5.3791 5.3791 5.8016 5.8016 6.0125 6.0125 6.0737 6.0737 6.1341 6.1341 6.3061 6.3061 6.4385 6.4385 6.6535 6.6535 6.8579 6.8579 6.9768 6.9768 7.4795 7.4795 7.8751 7.8751 9.8459 9.8459 11.1455 11.1455 11.3498 11.3498 11.5079 11.5079 12.1822 12.1822 12.8959 12.8959 k = 0.5000 0.2970 0.2749 ( 3158 PWs) bands (ev): -24.6881 -24.6881 -7.6041 -7.6041 -6.5193 -6.5193 -6.4606 -6.4606 0.8918 0.8918 1.1821 1.1821 5.3634 5.3634 5.8086 5.8086 6.0019 6.0019 6.0769 6.0769 6.1575 6.1575 6.3132 6.3132 6.4446 6.4446 6.6533 6.6533 6.8723 6.8723 7.0002 7.0002 7.5467 7.5467 7.8927 7.8927 9.8914 9.8914 11.2470 11.2470 11.3564 11.3564 11.4416 11.4416 12.1857 12.1857 12.9803 12.9803 k = 0.5000 0.2970 0.2566 ( 3150 PWs) bands (ev): -24.6885 -24.6885 -7.6025 -7.6025 -6.5190 -6.5190 -6.4560 -6.4560 0.8703 0.8703 1.1529 1.1529 5.3490 5.3490 5.8151 5.8151 5.9920 5.9920 6.0724 6.0724 6.1839 6.1839 6.3223 6.3223 6.4515 6.4515 6.6522 6.6522 6.8857 6.8857 7.0262 7.0262 7.6148 7.6148 7.9124 7.9124 9.9307 9.9307 11.2122 11.2122 11.3494 11.3494 11.5231 11.5231 12.1929 12.1929 13.0549 13.0549 k = 0.5000 0.2970 0.2382 ( 3152 PWs) bands (ev): -24.6888 -24.6888 -7.6009 -7.6009 -6.5188 -6.5188 -6.4516 -6.4516 0.8493 0.8493 1.1258 1.1258 5.3356 5.3356 5.8208 5.8208 5.9829 5.9829 6.0659 6.0659 6.2064 6.2064 6.3343 6.3343 6.4593 6.4593 6.6501 6.6501 6.8981 6.8981 7.0543 7.0543 7.6834 7.6834 7.9346 7.9346 9.9639 9.9639 11.0711 11.0711 11.4508 11.4508 11.6010 11.6010 12.2011 12.2011 13.1125 13.1125 k = 0.5000 0.2970 0.2199 ( 3156 PWs) bands (ev): -24.6891 -24.6891 -7.5994 -7.5994 -6.5186 -6.5186 -6.4474 -6.4474 0.8288 0.8288 1.1006 1.1006 5.3234 5.3234 5.8258 5.8258 5.9746 5.9746 6.0588 6.0588 6.2230 6.2230 6.3497 6.3497 6.4675 6.4675 6.6471 6.6471 6.9095 6.9095 7.0839 7.0839 7.7519 7.7519 7.9594 7.9594 9.9911 9.9911 10.9339 10.9339 11.5518 11.5518 11.6748 11.6748 12.2065 12.2065 13.1464 13.1464 k = 0.5000 0.2970 0.2016 ( 3154 PWs) bands (ev): -24.6894 -24.6894 -7.5980 -7.5980 -6.5184 -6.5184 -6.4434 -6.4434 0.8092 0.8092 1.0775 1.0775 5.3124 5.3124 5.8301 5.8301 5.9675 5.9675 6.0517 6.0517 6.2340 6.2340 6.3680 6.3680 6.4760 6.4760 6.6434 6.6434 6.9197 6.9197 7.1141 7.1141 7.8196 7.8196 7.9871 7.9871 10.0127 10.0127 10.8013 10.8013 11.6515 11.6515 11.7454 11.7454 12.2053 12.2053 13.1539 13.1539 k = 0.5000 0.2970 0.1833 ( 3156 PWs) bands (ev): -24.6897 -24.6897 -7.5968 -7.5968 -6.5182 -6.5182 -6.4397 -6.4397 0.7907 0.7907 1.0564 1.0564 5.3025 5.3025 5.8338 5.8338 5.9615 5.9615 6.0448 6.0448 6.2406 6.2406 6.3878 6.3878 6.4845 6.4845 6.6390 6.6390 6.9290 6.9290 7.1441 7.1441 7.8858 7.8858 8.0176 8.0176 10.0294 10.0294 10.6739 10.6739 11.7495 11.7495 11.8134 11.8134 12.1943 12.1943 13.1373 13.1373 k = 0.5000 0.2970 0.1649 ( 3156 PWs) bands (ev): -24.6899 -24.6899 -7.5956 -7.5956 -6.5179 -6.5179 -6.4362 -6.4362 0.7733 0.7733 1.0373 1.0373 5.2935 5.2935 5.8367 5.8367 5.9566 5.9566 6.0384 6.0384 6.2442 6.2442 6.4080 6.4080 6.4930 6.4930 6.6339 6.6339 6.9373 6.9373 7.1730 7.1730 7.9497 7.9497 8.0509 8.0509 10.0417 10.0417 10.5523 10.5523 11.8448 11.8448 11.8794 11.8794 12.1723 12.1723 13.1017 13.1017 k = 0.5000 0.2970 0.1466 ( 3152 PWs) bands (ev): -24.6901 -24.6901 -7.5945 -7.5945 -6.5177 -6.5177 -6.4330 -6.4330 0.7573 0.7573 1.0202 1.0202 5.2856 5.2856 5.8389 5.8389 5.9529 5.9529 6.0324 6.0324 6.2459 6.2459 6.4277 6.4277 6.5011 6.5011 6.6283 6.6283 6.9445 6.9445 7.2002 7.2002 8.0103 8.0103 8.0869 8.0869 10.0503 10.0503 10.4375 10.4375 11.9363 11.9363 11.9440 11.9440 12.1405 12.1405 13.0530 13.0530 k = 0.5000 0.2970 0.1283 ( 3144 PWs) bands (ev): -24.6903 -24.6903 -7.5936 -7.5936 -6.5176 -6.5176 -6.4302 -6.4302 0.7428 0.7428 1.0051 1.0051 5.2787 5.2787 5.8406 5.8406 5.9502 5.9502 6.0268 6.0268 6.2464 6.2464 6.4464 6.4464 6.5089 6.5089 6.6221 6.6221 6.9510 6.9510 7.2250 7.2250 8.0666 8.0666 8.1247 8.1247 10.0559 10.0559 10.3303 10.3303 12.0061 12.0061 12.0227 12.0227 12.1035 12.1035 12.9959 12.9959 k = 0.5000 0.2970 0.1100 ( 3144 PWs) bands (ev): -24.6905 -24.6905 -7.5927 -7.5927 -6.5174 -6.5174 -6.4277 -6.4277 0.7299 0.7299 0.9921 0.9921 5.2727 5.2727 5.8416 5.8416 5.9484 5.9484 6.0218 6.0218 6.2462 6.2462 6.4638 6.4638 6.5161 6.5161 6.6153 6.6153 6.9566 6.9566 7.2470 7.2470 8.1177 8.1177 8.1635 8.1635 10.0592 10.0592 10.2320 10.2320 12.0457 12.0457 12.0773 12.0773 12.1105 12.1105 12.9338 12.9338 k = 0.5000 0.2970 0.0916 ( 3158 PWs) bands (ev): -24.6907 -24.6907 -7.5920 -7.5920 -6.5172 -6.5172 -6.4255 -6.4255 0.7188 0.7188 0.9810 0.9810 5.2677 5.2677 5.8422 5.8422 5.9473 5.9473 6.0172 6.0172 6.2456 6.2456 6.4796 6.4796 6.5226 6.5226 6.6079 6.6079 6.9611 6.9611 7.2658 7.2658 8.1628 8.1628 8.2015 8.2015 10.0608 10.0608 10.1441 10.1441 12.0108 12.0108 12.1345 12.1345 12.1815 12.1815 12.8693 12.8693 k = 0.5000 0.2970 0.0733 ( 3160 PWs) bands (ev): -24.6908 -24.6908 -7.5914 -7.5914 -6.5171 -6.5171 -6.4237 -6.4237 0.7096 0.7096 0.9720 0.9720 5.2636 5.2636 5.8425 5.8425 5.9469 5.9469 6.0134 6.0134 6.2448 6.2448 6.4936 6.4936 6.5290 6.5290 6.6000 6.6000 6.9649 6.9649 7.2813 7.2813 8.2016 8.2016 8.2366 8.2366 10.0613 10.0613 10.0682 10.0682 11.9729 11.9729 12.1946 12.1946 12.2454 12.2454 12.8046 12.8046 k = 0.5000 0.2970 0.0550 ( 3148 PWs) bands (ev): -24.6909 -24.6909 -7.5910 -7.5910 -6.5170 -6.5170 -6.4223 -6.4223 0.7024 0.7024 0.9650 0.9650 5.2605 5.2605 5.8426 5.8426 5.9468 5.9468 6.0105 6.0105 6.2442 6.2442 6.5053 6.5053 6.5354 6.5354 6.5918 6.5918 6.9680 6.9680 7.2934 7.2934 8.2335 8.2335 8.2664 8.2664 10.0062 10.0062 10.0611 10.0611 11.9404 11.9404 12.2529 12.2529 12.2982 12.2982 12.7421 12.7421 k = 0.5000 0.2970 0.0367 ( 3148 PWs) bands (ev): -24.6909 -24.6909 -7.5906 -7.5906 -6.5169 -6.5169 -6.4213 -6.4213 0.6972 0.6972 0.9600 0.9600 5.2582 5.2582 5.8425 5.8425 5.9469 5.9469 6.0083 6.0083 6.2437 6.2437 6.5139 6.5139 6.5423 6.5423 6.5833 6.5833 6.9701 6.9701 7.3021 7.3021 8.2573 8.2573 8.2892 8.2892 9.9601 9.9601 10.0607 10.0607 11.9157 11.9157 12.3063 12.3063 12.3378 12.3378 12.6852 12.6852 k = 0.5000 0.2970 0.0183 ( 3146 PWs) bands (ev): -24.6910 -24.6910 -7.5904 -7.5904 -6.5169 -6.5169 -6.4207 -6.4207 0.6940 0.6940 0.9569 0.9569 5.2569 5.2569 5.8425 5.8425 5.9470 5.9470 6.0068 6.0068 6.2433 6.2433 6.5189 6.5189 6.5495 6.5495 6.5753 6.5753 6.9714 6.9714 7.3073 7.3073 8.2722 8.2722 8.3034 8.3034 9.9317 9.9317 10.0603 10.0603 11.9004 11.9004 12.3481 12.3481 12.3623 12.3623 12.6411 12.6411 k = 0.5000 0.2970 0.0000 ( 3148 PWs) bands (ev): -24.6910 -24.6910 -7.5904 -7.5904 -6.5169 -6.5169 -6.4205 -6.4205 0.6930 0.6930 0.9559 0.9559 5.2564 5.2564 5.8425 5.8425 5.9471 5.9471 6.0064 6.0064 6.2432 6.2432 6.5205 6.5205 6.5535 6.5535 6.5710 6.5710 6.9718 6.9718 7.3090 7.3090 8.2772 8.2772 8.3083 8.3083 9.9220 9.9220 10.0602 10.0602 11.8952 11.8952 12.3652 12.3652 12.3707 12.3707 12.6231 12.6231 k = 0.0000 0.0000 0.9791 ( 3132 PWs) bands (ev): -24.6756 -24.6756 -7.6578 -7.6578 -6.5938 -6.5938 -6.5062 -6.5062 1.0031 1.0031 3.1668 3.1668 4.7251 4.7251 4.7462 4.7462 6.2766 6.2766 6.3032 6.3032 6.3948 6.3948 6.4004 6.4004 6.5393 6.5393 6.6931 6.6931 6.7088 6.7088 6.8419 6.8419 6.8507 6.8507 7.6995 7.6995 7.7880 7.7880 7.9762 7.9762 8.7253 8.7253 12.2388 12.2388 13.1075 13.1075 13.7405 13.7405 k = 0.0156 0.0093 0.9791 ( 3136 PWs) bands (ev): -24.6756 -24.6756 -7.6578 -7.6578 -6.5938 -6.5938 -6.5062 -6.5062 1.0031 1.0031 3.1665 3.1665 4.7251 4.7251 4.7462 4.7462 6.2767 6.2767 6.3032 6.3032 6.3943 6.3943 6.4007 6.4007 6.5391 6.5391 6.6739 6.6739 6.7290 6.7290 6.8418 6.8418 6.8510 6.8510 7.6995 7.6995 7.7874 7.7874 7.9781 7.9781 8.7230 8.7230 12.2271 12.2271 13.1133 13.1133 13.7565 13.7565 k = 0.0312 0.0186 0.9791 ( 3132 PWs) bands (ev): -24.6756 -24.6756 -7.6578 -7.6578 -6.5938 -6.5938 -6.5062 -6.5062 1.0033 1.0033 3.1657 3.1657 4.7251 4.7251 4.7462 4.7462 6.2773 6.2773 6.3035 6.3035 6.3930 6.3930 6.4015 6.4015 6.5387 6.5387 6.6499 6.6499 6.7558 6.7558 6.8417 6.8417 6.8522 6.8522 7.6996 7.6996 7.7857 7.7857 7.9835 7.9835 8.7161 8.7161 12.1936 12.1936 13.1308 13.1308 13.8027 13.8027 k = 0.0469 0.0278 0.9791 ( 3132 PWs) bands (ev): -24.6756 -24.6756 -7.6578 -7.6578 -6.5938 -6.5938 -6.5062 -6.5062 1.0037 1.0037 3.1644 3.1644 4.7251 4.7251 4.7462 4.7462 6.2782 6.2782 6.3039 6.3039 6.3913 6.3913 6.4023 6.4023 6.5378 6.5378 6.6274 6.6274 6.7823 6.7823 6.8416 6.8416 6.8549 6.8549 7.6998 7.6998 7.7830 7.7830 7.9924 7.9924 8.7047 8.7047 12.1426 12.1426 13.1598 13.1598 13.8748 13.8748 k = 0.0625 0.0371 0.9791 ( 3136 PWs) bands (ev): -24.6756 -24.6756 -7.6578 -7.6578 -6.5938 -6.5938 -6.5062 -6.5062 1.0041 1.0041 3.1626 3.1626 4.7250 4.7250 4.7462 4.7462 6.2794 6.2794 6.3044 6.3044 6.3892 6.3892 6.4029 6.4029 6.5363 6.5363 6.6070 6.6070 6.8062 6.8062 6.8415 6.8415 6.8608 6.8608 7.6999 7.6999 7.7796 7.7796 8.0045 8.0045 8.6891 8.6891 12.0791 12.0791 13.2000 13.2000 13.9676 13.9676 k = 0.0781 0.0464 0.9791 ( 3144 PWs) bands (ev): -24.6756 -24.6756 -7.6578 -7.6578 -6.5938 -6.5938 -6.5062 -6.5062 1.0047 1.0047 3.1605 3.1605 4.7250 4.7250 4.7461 4.7461 6.2811 6.2811 6.3050 6.3050 6.3869 6.3869 6.4032 6.4032 6.5338 6.5338 6.5894 6.5894 6.8233 6.8233 6.8414 6.8414 6.8736 6.8736 7.7001 7.7001 7.7759 7.7759 8.0194 8.0194 8.6695 8.6695 12.0081 12.0081 13.2512 13.2512 14.0757 14.0757 k = 0.0938 0.0557 0.9791 ( 3140 PWs) bands (ev): -24.6756 -24.6756 -7.6578 -7.6578 -6.5938 -6.5938 -6.5062 -6.5062 1.0054 1.0054 3.1580 3.1580 4.7249 4.7249 4.7461 4.7461 6.2831 6.2831 6.3058 6.3058 6.3844 6.3844 6.4033 6.4033 6.5296 6.5296 6.5754 6.5754 6.8322 6.8322 6.8414 6.8414 6.8944 6.8944 7.7004 7.7004 7.7719 7.7719 8.0370 8.0370 8.6465 8.6465 11.9337 11.9337 13.3129 13.3129 14.1946 14.1946 k = 0.1094 0.0650 0.9791 ( 3144 PWs) bands (ev): -24.6756 -24.6756 -7.6578 -7.6578 -6.5938 -6.5938 -6.5062 -6.5062 1.0061 1.0061 3.1553 3.1553 4.7249 4.7249 4.7461 4.7461 6.2855 6.2855 6.3066 6.3066 6.3815 6.3815 6.4031 6.4031 6.5232 6.5232 6.5656 6.5656 6.8361 6.8361 6.8414 6.8414 6.9193 6.9193 7.7007 7.7007 7.7679 7.7679 8.0569 8.0569 8.6203 8.6203 11.8593 11.8593 13.3846 13.3846 14.3203 14.3203 k = 0.1250 0.0742 0.9791 ( 3130 PWs) bands (ev): -24.6756 -24.6756 -7.6577 -7.6577 -6.5938 -6.5938 -6.5063 -6.5063 1.0068 1.0068 3.1526 3.1526 4.7248 4.7248 4.7461 4.7461 6.2884 6.2884 6.3075 6.3075 6.3783 6.3783 6.4025 6.4025 6.5151 6.5151 6.5596 6.5596 6.8379 6.8379 6.8417 6.8417 6.9450 6.9450 7.7010 7.7010 7.7641 7.7641 8.0791 8.0791 8.5914 8.5914 11.7873 11.7873 13.4659 13.4659 14.4492 14.4492 k = 0.1406 0.0835 0.9791 ( 3114 PWs) bands (ev): -24.6756 -24.6756 -7.6577 -7.6577 -6.5937 -6.5937 -6.5063 -6.5063 1.0075 1.0075 3.1498 3.1498 4.7247 4.7247 4.7462 4.7462 6.2915 6.2915 6.3085 6.3085 6.3748 6.3748 6.4017 6.4017 6.5066 6.5066 6.5563 6.5563 6.8388 6.8388 6.8420 6.8420 6.9699 6.9699 7.7014 7.7014 7.7606 7.7606 8.1034 8.1034 8.5603 8.5603 11.7199 11.7199 13.5562 13.5562 14.5779 14.5779 k = 0.1562 0.0928 0.9791 ( 3110 PWs) bands (ev): -24.6756 -24.6756 -7.6577 -7.6577 -6.5937 -6.5937 -6.5063 -6.5063 1.0082 1.0082 3.1472 3.1472 4.7246 4.7246 4.7462 4.7462 6.2949 6.2949 6.3093 6.3093 6.3708 6.3708 6.4007 6.4007 6.4988 6.4988 6.5543 6.5543 6.8392 6.8392 6.8423 6.8423 6.9930 6.9930 7.7017 7.7017 7.7574 7.7574 8.1295 8.1295 8.5274 8.5274 11.6585 11.6585 13.6549 13.6549 14.7025 14.7025 k = 0.1719 0.1021 0.9791 ( 3106 PWs) bands (ev): -24.6756 -24.6756 -7.6577 -7.6577 -6.5937 -6.5937 -6.5063 -6.5063 1.0089 1.0089 3.1448 3.1448 4.7245 4.7245 4.7462 4.7462 6.2985 6.2985 6.3102 6.3102 6.3665 6.3665 6.3996 6.3996 6.4921 6.4921 6.5532 6.5532 6.8393 6.8393 6.8426 6.8426 7.0136 7.0136 7.7021 7.7021 7.7545 7.7545 8.1575 8.1575 8.4931 8.4931 11.6045 11.6045 13.7615 13.7615 14.8187 14.8187 k = 0.1875 0.1114 0.9791 ( 3108 PWs) bands (ev): -24.6756 -24.6756 -7.6577 -7.6577 -6.5937 -6.5937 -6.5063 -6.5063 1.0095 1.0095 3.1427 3.1427 4.7244 4.7244 4.7463 4.7463 6.3023 6.3023 6.3109 6.3109 6.3619 6.3619 6.3984 6.3984 6.4868 6.4868 6.5524 6.5524 6.8393 6.8393 6.8428 6.8428 7.0313 7.0313 7.7024 7.7024 7.7522 7.7522 8.1871 8.1871 8.4579 8.4579 11.5589 11.5589 13.8755 13.8755 14.9213 14.9213 k = 0.2031 0.1207 0.9791 ( 3108 PWs) bands (ev): -24.6756 -24.6756 -7.6577 -7.6577 -6.5937 -6.5937 -6.5064 -6.5064 1.0099 1.0099 3.1409 3.1409 4.7242 4.7242 4.7464 4.7464 6.3060 6.3060 6.3114 6.3114 6.3573 6.3573 6.3974 6.3974 6.4829 6.4829 6.5519 6.5519 6.8393 6.8393 6.8431 6.8431 7.0456 7.0456 7.7027 7.7027 7.7503 7.7503 8.2182 8.2182 8.4222 8.4222 11.5226 11.5226 13.9962 13.9962 14.8366 14.8366 k = 0.2188 0.1299 0.9791 ( 3114 PWs) bands (ev): -24.6756 -24.6756 -7.6577 -7.6577 -6.5937 -6.5937 -6.5064 -6.5064 1.0103 1.0103 3.1396 3.1396 4.7241 4.7241 4.7466 4.7466 6.3091 6.3091 6.3120 6.3120 6.3532 6.3532 6.3967 6.3967 6.4802 6.4802 6.5516 6.5516 6.8393 6.8393 6.8431 6.8431 7.0561 7.0561 7.7028 7.7028 7.7489 7.7489 8.2506 8.2506 8.3864 8.3864 11.4962 11.4962 14.1232 14.1232 14.6870 14.6870 k = 0.2344 0.1392 0.9791 ( 3112 PWs) bands (ev): -24.6756 -24.6756 -7.6577 -7.6577 -6.5937 -6.5937 -6.5064 -6.5064 1.0105 1.0105 3.1389 3.1389 4.7239 4.7239 4.7467 4.7467 6.3110 6.3110 6.3130 6.3130 6.3502 6.3502 6.3962 6.3962 6.4786 6.4786 6.5514 6.5514 6.8393 6.8393 6.8432 6.8432 7.0625 7.0625 7.7029 7.7029 7.7480 7.7480 8.2842 8.2842 8.3508 8.3508 11.4802 11.4802 14.2557 14.2557 14.5408 14.5408 k = 0.2500 0.1485 0.9791 ( 3108 PWs) bands (ev): -24.6756 -24.6756 -7.6577 -7.6577 -6.5936 -6.5936 -6.5064 -6.5064 1.0105 1.0105 3.1386 3.1386 4.7237 4.7237 4.7469 4.7469 6.3113 6.3113 6.3139 6.3139 6.3490 6.3490 6.3961 6.3961 6.4781 6.4781 6.5514 6.5514 6.8393 6.8393 6.8433 6.8433 7.0646 7.0646 7.7030 7.7030 7.7478 7.7478 8.3131 8.3131 8.3211 8.3211 11.4748 11.4748 14.3846 14.3846 14.4074 14.4074 Writing output data file SrxSiCux2.save init_run : 0.33s CPU 0.52s WALL ( 1 calls) electrons : 149.24s CPU 152.01s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 149.23s CPU 152.00s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 347 calls) cegterg : 133.23s CPU 135.22s WALL ( 364 calls) Called by sum_band: Called by *egterg: h_psi : 90.36s CPU 91.95s WALL ( 6282 calls) s_psi : 5.62s CPU 5.38s WALL ( 6282 calls) g_psi : 0.14s CPU 0.15s WALL ( 5571 calls) cdiaghg : 40.11s CPU 40.73s WALL ( 5918 calls) cegterg:over : 3.82s CPU 3.91s WALL ( 5571 calls) cegterg:upda : 2.92s CPU 3.00s WALL ( 5571 calls) cegterg:last : 1.70s CPU 1.76s WALL ( 1058 calls) cdiaghg:chol : 2.38s CPU 2.30s WALL ( 5918 calls) cdiaghg:inve : 1.43s CPU 1.52s WALL ( 5918 calls) cdiaghg:para : 2.34s CPU 2.37s WALL ( 11836 calls) Called by h_psi: h_psi:vloc : 79.10s CPU 80.43s WALL ( 6282 calls) h_psi:vnl : 11.12s CPU 11.40s WALL ( 6282 calls) add_vuspsi : 5.89s CPU 6.12s WALL ( 6282 calls) General routines calbec : 5.20s CPU 5.26s WALL ( 6282 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 73.93s CPU 75.31s WALL ( 707012 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.17s WALL ( 694 calls) Parallel routines fft_scatter : 25.89s CPU 26.53s WALL ( 707035 calls) PWSCF : 2m43.90s CPU 3m 6.16s WALL This run was terminated on: 17:45:41 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=