Program PWSCF v.5.1.1 starts on 19Oct2015 at 2:25:59 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Cu2GeSe3.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 56 43 12 1116 757 117 Max 57 44 13 1118 771 120 Sum 2705 2091 597 53589 36615 5691 bravais-lattice index = 14 lattice parameter (alat) = 12.9010 a.u. unit-cell volume = 869.2066 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.900976 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.831766 celldm(5)= -0.677243 celldm(6)= 0.509009 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.509009 0.860761 0.000000 ) a(3) = ( -0.677243 -0.565829 0.470298 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.591348 0.728563 ) b(2) = ( 0.000000 1.161763 1.397751 ) b(3) = ( 0.000000 0.000000 2.126314 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 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 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 3 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Se 6.00 78.96000 Se( 1.00) Cu 11.00 63.54600 Cu( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 358 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( -0.0061749 0.0108253 0.0172620), wk = 0.0027933 k( 3) = ( -0.0123499 0.0216507 0.0345240), wk = 0.0027933 k( 4) = ( -0.0185248 0.0324760 0.0517860), wk = 0.0027933 k( 5) = ( -0.0246997 0.0433013 0.0690480), wk = 0.0027933 k( 6) = ( -0.0308746 0.0541266 0.0863101), wk = 0.0027933 k( 7) = ( -0.0370495 0.0649519 0.1035721), wk = 0.0027933 k( 8) = ( -0.0432245 0.0757773 0.1208341), wk = 0.0027933 k( 9) = ( -0.0493994 0.0866026 0.1380961), wk = 0.0027933 k( 10) = ( -0.0555743 0.0974279 0.1553581), wk = 0.0027933 k( 11) = ( -0.0617492 0.1082532 0.1726201), wk = 0.0027933 k( 12) = ( -0.0679242 0.1190785 0.1898821), wk = 0.0027933 k( 13) = ( -0.0740991 0.1299039 0.2071441), wk = 0.0027933 k( 14) = ( -0.0802740 0.1407292 0.2244061), wk = 0.0027933 k( 15) = ( -0.0864489 0.1515545 0.2416681), wk = 0.0027933 k( 16) = ( -0.0926238 0.1623798 0.2589301), wk = 0.0027933 k( 17) = ( -0.0987988 0.1732052 0.2761921), wk = 0.0027933 k( 18) = ( -0.1049737 0.1840305 0.2934541), wk = 0.0027933 k( 19) = ( -0.1111486 0.1948558 0.3107162), wk = 0.0027933 k( 20) = ( -0.1173235 0.2056811 0.3279782), wk = 0.0027933 k( 21) = ( -0.1234985 0.2165064 0.3452402), wk = 0.0027933 k( 22) = ( -0.1296734 0.2273318 0.3625022), wk = 0.0027933 k( 23) = ( -0.1358483 0.2381571 0.3797642), wk = 0.0027933 k( 24) = ( -0.1420232 0.2489824 0.3970262), wk = 0.0027933 k( 25) = ( -0.1481982 0.2598078 0.4142882), wk = 0.0027933 k( 26) = ( -0.1543731 0.2706331 0.4315502), wk = 0.0027933 k( 27) = ( -0.1605480 0.2814584 0.4488122), wk = 0.0027933 k( 28) = ( -0.1667229 0.2922837 0.4660743), wk = 0.0027933 k( 29) = ( -0.1728978 0.3031090 0.4833363), wk = 0.0027933 k( 30) = ( -0.1790728 0.3139344 0.5005983), wk = 0.0027933 k( 31) = ( -0.1852477 0.3247597 0.5178603), wk = 0.0027933 k( 32) = ( -0.1914226 0.3355850 0.5351223), wk = 0.0027933 k( 33) = ( -0.1975975 0.3464103 0.5523843), wk = 0.0027933 k( 34) = ( -0.2037725 0.3572356 0.5696463), wk = 0.0027933 k( 35) = ( -0.2099474 0.3680610 0.5869083), wk = 0.0027933 k( 36) = ( -0.2161223 0.3788863 0.6041703), wk = 0.0027933 k( 37) = ( -0.2222972 0.3897116 0.6214323), wk = 0.0027933 k( 38) = ( -0.2284722 0.4005369 0.6386944), wk = 0.0027933 k( 39) = ( -0.2346471 0.4113623 0.6559564), wk = 0.0027933 k( 40) = ( -0.2408220 0.4221876 0.6732184), wk = 0.0027933 k( 41) = ( -0.2469969 0.4330129 0.6904804), wk = 0.0027933 k( 42) = ( -0.2531718 0.4438382 0.7077424), wk = 0.0027933 k( 43) = ( -0.2593468 0.4546636 0.7250044), wk = 0.0027933 k( 44) = ( -0.2655217 0.4654889 0.7422664), wk = 0.0027933 k( 45) = ( -0.2716966 0.4763142 0.7595284), wk = 0.0027933 k( 46) = ( -0.2778715 0.4871395 0.7767904), wk = 0.0027933 k( 47) = ( -0.2778715 0.4871395 0.7767904), wk = 0.0027933 k( 48) = ( -0.2693268 0.4721597 0.7892411), wk = 0.0027933 k( 49) = ( -0.2607821 0.4571799 0.8016918), wk = 0.0027933 k( 50) = ( -0.2522374 0.4422001 0.8141426), wk = 0.0027933 k( 51) = ( -0.2436927 0.4272203 0.8265933), wk = 0.0027933 k( 52) = ( -0.2351480 0.4122404 0.8390440), wk = 0.0027933 k( 53) = ( -0.2266033 0.3972606 0.8514947), wk = 0.0027933 k( 54) = ( -0.2180586 0.3822808 0.8639454), wk = 0.0027933 k( 55) = ( -0.2095139 0.3673010 0.8763961), wk = 0.0027933 k( 56) = ( -0.2009692 0.3523211 0.8888468), wk = 0.0027933 k( 57) = ( -0.1924244 0.3373413 0.9012975), wk = 0.0027933 k( 58) = ( -0.1838797 0.3223615 0.9137482), wk = 0.0027933 k( 59) = ( -0.1753350 0.3073817 0.9261990), wk = 0.0027933 k( 60) = ( -0.1667903 0.2924019 0.9386497), wk = 0.0027933 k( 61) = ( -0.1582456 0.2774220 0.9511004), wk = 0.0027933 k( 62) = ( -0.1497009 0.2624422 0.9635511), wk = 0.0027933 k( 63) = ( -0.1411562 0.2474624 0.9760018), wk = 0.0027933 k( 64) = ( -0.1326115 0.2324826 0.9884525), wk = 0.0027933 k( 65) = ( -0.1240668 0.2175028 1.0009032), wk = 0.0027933 k( 66) = ( -0.1155221 0.2025230 1.0133540), wk = 0.0027933 k( 67) = ( -0.1069774 0.1875431 1.0258047), wk = 0.0027933 k( 68) = ( -0.0984326 0.1725633 1.0382554), wk = 0.0027933 k( 69) = ( -0.0898879 0.1575835 1.0507061), wk = 0.0027933 k( 70) = ( -0.0813432 0.1426037 1.0631568), wk = 0.0027933 k( 71) = ( -0.0813432 0.1426037 1.0631568), wk = 0.0027933 k( 72) = ( -0.0711753 0.1247782 1.0631568), wk = 0.0027933 k( 73) = ( -0.0610074 0.1069527 1.0631568), wk = 0.0027933 k( 74) = ( -0.0508395 0.0891273 1.0631568), wk = 0.0027933 k( 75) = ( -0.0406716 0.0713018 1.0631568), wk = 0.0027933 k( 76) = ( -0.0305037 0.0534764 1.0631568), wk = 0.0027933 k( 77) = ( -0.0203358 0.0356509 1.0631568), wk = 0.0027933 k( 78) = ( -0.0101679 0.0178255 1.0631568), wk = 0.0027933 k( 79) = ( 0.0000000 0.0000000 1.0631568), wk = 0.0027933 k( 80) = ( 0.0000000 0.0000000 1.0631568), wk = 0.0027933 k( 81) = ( 0.0178571 0.0101860 1.0631568), wk = 0.0027933 k( 82) = ( 0.0357143 0.0203720 1.0631568), wk = 0.0027933 k( 83) = ( 0.0535714 0.0305579 1.0631568), wk = 0.0027933 k( 84) = ( 0.0714286 0.0407439 1.0631568), wk = 0.0027933 k( 85) = ( 0.0892857 0.0509299 1.0631568), wk = 0.0027933 k( 86) = ( 0.1071429 0.0611159 1.0631568), wk = 0.0027933 k( 87) = ( 0.1250000 0.0713018 1.0631568), wk = 0.0027933 k( 88) = ( 0.1428571 0.0814878 1.0631568), wk = 0.0027933 k( 89) = ( 0.1607143 0.0916738 1.0631568), wk = 0.0027933 k( 90) = ( 0.1785714 0.1018598 1.0631568), wk = 0.0027933 k( 91) = ( 0.1964286 0.1120457 1.0631568), wk = 0.0027933 k( 92) = ( 0.2142857 0.1222317 1.0631568), wk = 0.0027933 k( 93) = ( 0.2321429 0.1324177 1.0631568), wk = 0.0027933 k( 94) = ( 0.2500000 0.1426037 1.0631568), wk = 0.0027933 k( 95) = ( 0.2500000 0.1426037 1.0631568), wk = 0.0027933 k( 96) = ( 0.2413793 0.1577167 1.0505954), wk = 0.0027933 k( 97) = ( 0.2327586 0.1728297 1.0380339), wk = 0.0027933 k( 98) = ( 0.2241379 0.1879427 1.0254725), wk = 0.0027933 k( 99) = ( 0.2155172 0.2030558 1.0129111), wk = 0.0027933 k( 100) = ( 0.2068966 0.2181688 1.0003497), wk = 0.0027933 k( 101) = ( 0.1982759 0.2332818 0.9877882), wk = 0.0027933 k( 102) = ( 0.1896552 0.2483948 0.9752268), wk = 0.0027933 k( 103) = ( 0.1810345 0.2635079 0.9626654), wk = 0.0027933 k( 104) = ( 0.1724138 0.2786209 0.9501040), wk = 0.0027933 k( 105) = ( 0.1637931 0.2937339 0.9375425), wk = 0.0027933 k( 106) = ( 0.1551724 0.3088469 0.9249811), wk = 0.0027933 k( 107) = ( 0.1465517 0.3239599 0.9124197), wk = 0.0027933 k( 108) = ( 0.1379310 0.3390730 0.8998583), wk = 0.0027933 k( 109) = ( 0.1293103 0.3541860 0.8872968), wk = 0.0027933 k( 110) = ( 0.1206897 0.3692990 0.8747354), wk = 0.0027933 k( 111) = ( 0.1120690 0.3844120 0.8621740), wk = 0.0027933 k( 112) = ( 0.1034483 0.3995250 0.8496126), wk = 0.0027933 k( 113) = ( 0.0948276 0.4146381 0.8370512), wk = 0.0027933 k( 114) = ( 0.0862069 0.4297511 0.8244897), wk = 0.0027933 k( 115) = ( 0.0775862 0.4448641 0.8119283), wk = 0.0027933 k( 116) = ( 0.0689655 0.4599771 0.7993669), wk = 0.0027933 k( 117) = ( 0.0603448 0.4750901 0.7868054), wk = 0.0027933 k( 118) = ( 0.0517241 0.4902032 0.7742440), wk = 0.0027933 k( 119) = ( 0.0431035 0.5053162 0.7616826), wk = 0.0027933 k( 120) = ( 0.0344828 0.5204292 0.7491212), wk = 0.0027933 k( 121) = ( 0.0258621 0.5355422 0.7365597), wk = 0.0027933 k( 122) = ( 0.0172414 0.5506553 0.7239983), wk = 0.0027933 k( 123) = ( 0.0086207 0.5657683 0.7114369), wk = 0.0027933 k( 124) = ( 0.0000000 0.5808813 0.6988755), wk = 0.0027933 k( 125) = ( 0.0000000 0.5808813 0.6988755), wk = 0.0027933 k( 126) = ( 0.0198480 0.5875771 0.6933101), wk = 0.0027933 k( 127) = ( 0.0396959 0.5942730 0.6877448), wk = 0.0027933 k( 128) = ( 0.0595439 0.6009688 0.6821794), wk = 0.0027933 k( 129) = ( 0.0793919 0.6076647 0.6766141), wk = 0.0027933 k( 130) = ( 0.0992398 0.6143605 0.6710487), wk = 0.0027933 k( 131) = ( 0.1190878 0.6210564 0.6654834), wk = 0.0027933 k( 132) = ( 0.1389358 0.6277522 0.6599180), wk = 0.0027933 k( 133) = ( 0.1587837 0.6344480 0.6543526), wk = 0.0027933 k( 134) = ( 0.1786317 0.6411439 0.6487873), wk = 0.0027933 k( 135) = ( 0.1984797 0.6478397 0.6432219), wk = 0.0027933 k( 136) = ( 0.2183276 0.6545356 0.6376566), wk = 0.0027933 k( 137) = ( 0.2381756 0.6612314 0.6320912), wk = 0.0027933 k( 138) = ( 0.2580236 0.6679272 0.6265259), wk = 0.0027933 k( 139) = ( 0.2778715 0.6746231 0.6209605), wk = 0.0027933 k( 140) = ( 0.2778715 0.6746231 0.6209605), wk = 0.0027933 k( 141) = ( 0.2840418 0.6638060 0.6037116), wk = 0.0027933 k( 142) = ( 0.2902120 0.6529889 0.5864627), wk = 0.0027933 k( 143) = ( 0.2963823 0.6421718 0.5692138), wk = 0.0027933 k( 144) = ( 0.3025525 0.6313547 0.5519649), wk = 0.0027933 k( 145) = ( 0.3087227 0.6205376 0.5347160), wk = 0.0027933 k( 146) = ( 0.3148930 0.6097205 0.5174671), wk = 0.0027933 k( 147) = ( 0.3210632 0.5989034 0.5002182), wk = 0.0027933 k( 148) = ( 0.3272334 0.5880863 0.4829693), wk = 0.0027933 k( 149) = ( 0.3334037 0.5772691 0.4657204), wk = 0.0027933 k( 150) = ( 0.3395739 0.5664520 0.4484715), wk = 0.0027933 k( 151) = ( 0.3457441 0.5556349 0.4312226), wk = 0.0027933 k( 152) = ( 0.3519144 0.5448178 0.4139737), wk = 0.0027933 k( 153) = ( 0.3580846 0.5340007 0.3967248), wk = 0.0027933 k( 154) = ( 0.3642548 0.5231836 0.3794759), wk = 0.0027933 k( 155) = ( 0.3704251 0.5123665 0.3622270), wk = 0.0027933 k( 156) = ( 0.3765953 0.5015494 0.3449781), wk = 0.0027933 k( 157) = ( 0.3827655 0.4907323 0.3277292), wk = 0.0027933 k( 158) = ( 0.3889358 0.4799152 0.3104803), wk = 0.0027933 k( 159) = ( 0.3951060 0.4690981 0.2932313), wk = 0.0027933 k( 160) = ( 0.4012762 0.4582810 0.2759825), wk = 0.0027933 k( 161) = ( 0.4074465 0.4474639 0.2587335), wk = 0.0027933 k( 162) = ( 0.4136167 0.4366468 0.2414846), wk = 0.0027933 k( 163) = ( 0.4197869 0.4258297 0.2242357), wk = 0.0027933 k( 164) = ( 0.4259572 0.4150126 0.2069868), wk = 0.0027933 k( 165) = ( 0.4321274 0.4041955 0.1897379), wk = 0.0027933 k( 166) = ( 0.4382976 0.3933784 0.1724890), wk = 0.0027933 k( 167) = ( 0.4444679 0.3825613 0.1552401), wk = 0.0027933 k( 168) = ( 0.4506381 0.3717442 0.1379912), wk = 0.0027933 k( 169) = ( 0.4568084 0.3609271 0.1207423), wk = 0.0027933 k( 170) = ( 0.4629786 0.3501100 0.1034934), wk = 0.0027933 k( 171) = ( 0.4691488 0.3392929 0.0862445), wk = 0.0027933 k( 172) = ( 0.4753191 0.3284758 0.0689956), wk = 0.0027933 k( 173) = ( 0.4814893 0.3176586 0.0517467), wk = 0.0027933 k( 174) = ( 0.4876595 0.3068416 0.0344978), wk = 0.0027933 k( 175) = ( 0.4938298 0.2960244 0.0172489), wk = 0.0027933 k( 176) = ( 0.5000000 0.2852073 -0.0000000), wk = 0.0027933 k( 177) = ( 0.5000000 0.2852073 -0.0000000), wk = 0.0027933 k( 178) = ( 0.4814815 0.2746441 -0.0000000), wk = 0.0027933 k( 179) = ( 0.4629630 0.2640809 -0.0000000), wk = 0.0027933 k( 180) = ( 0.4444444 0.2535176 -0.0000000), wk = 0.0027933 k( 181) = ( 0.4259259 0.2429544 -0.0000000), wk = 0.0027933 k( 182) = ( 0.4074074 0.2323912 -0.0000000), wk = 0.0027933 k( 183) = ( 0.3888889 0.2218279 -0.0000000), wk = 0.0027933 k( 184) = ( 0.3703704 0.2112647 -0.0000000), wk = 0.0027933 k( 185) = ( 0.3518519 0.2007015 -0.0000000), wk = 0.0027933 k( 186) = ( 0.3333333 0.1901382 -0.0000000), wk = 0.0027933 k( 187) = ( 0.3148148 0.1795750 0.0000000), wk = 0.0027933 k( 188) = ( 0.2962963 0.1690118 -0.0000000), wk = 0.0027933 k( 189) = ( 0.2777778 0.1584485 -0.0000000), wk = 0.0027933 k( 190) = ( 0.2592593 0.1478853 -0.0000000), wk = 0.0027933 k( 191) = ( 0.2407407 0.1373221 -0.0000000), wk = 0.0027933 k( 192) = ( 0.2222222 0.1267588 -0.0000000), wk = 0.0027933 k( 193) = ( 0.2037037 0.1161956 -0.0000000), wk = 0.0027933 k( 194) = ( 0.1851852 0.1056324 -0.0000000), wk = 0.0027933 k( 195) = ( 0.1666667 0.0950691 -0.0000000), wk = 0.0027933 k( 196) = ( 0.1481482 0.0845059 -0.0000000), wk = 0.0027933 k( 197) = ( 0.1296296 0.0739426 -0.0000000), wk = 0.0027933 k( 198) = ( 0.1111111 0.0633794 -0.0000000), wk = 0.0027933 k( 199) = ( 0.0925926 0.0528162 -0.0000000), wk = 0.0027933 k( 200) = ( 0.0740741 0.0422529 -0.0000000), wk = 0.0027933 k( 201) = ( 0.0555556 0.0316897 -0.0000000), wk = 0.0027933 k( 202) = ( 0.0370370 0.0211265 -0.0000000), wk = 0.0027933 k( 203) = ( 0.0185185 0.0105632 -0.0000000), wk = 0.0027933 k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 205) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 206) = ( 0.0086706 -0.0152006 0.0126342), wk = 0.0027933 k( 207) = ( 0.0173412 -0.0304011 0.0252684), wk = 0.0027933 k( 208) = ( 0.0260119 -0.0456017 0.0379025), wk = 0.0027933 k( 209) = ( 0.0346825 -0.0608022 0.0505367), wk = 0.0027933 k( 210) = ( 0.0433531 -0.0760028 0.0631709), wk = 0.0027933 k( 211) = ( 0.0520237 -0.0912033 0.0758051), wk = 0.0027933 k( 212) = ( 0.0606943 -0.1064039 0.0884393), wk = 0.0027933 k( 213) = ( 0.0693650 -0.1216044 0.1010734), wk = 0.0027933 k( 214) = ( 0.0780356 -0.1368050 0.1137076), wk = 0.0027933 k( 215) = ( 0.0867062 -0.1520056 0.1263418), wk = 0.0027933 k( 216) = ( 0.0953768 -0.1672061 0.1389760), wk = 0.0027933 k( 217) = ( 0.1040474 -0.1824067 0.1516102), wk = 0.0027933 k( 218) = ( 0.1127181 -0.1976072 0.1642443), wk = 0.0027933 k( 219) = ( 0.1213887 -0.2128078 0.1768785), wk = 0.0027933 k( 220) = ( 0.1300593 -0.2280083 0.1895127), wk = 0.0027933 k( 221) = ( 0.1387299 -0.2432089 0.2021469), wk = 0.0027933 k( 222) = ( 0.1474005 -0.2584094 0.2147810), wk = 0.0027933 k( 223) = ( 0.1560711 -0.2736100 0.2274152), wk = 0.0027933 k( 224) = ( 0.1647418 -0.2888105 0.2400494), wk = 0.0027933 k( 225) = ( 0.1734124 -0.3040111 0.2526836), wk = 0.0027933 k( 226) = ( 0.1820830 -0.3192116 0.2653178), wk = 0.0027933 k( 227) = ( 0.1907536 -0.3344122 0.2779519), wk = 0.0027933 k( 228) = ( 0.1994242 -0.3496128 0.2905861), wk = 0.0027933 k( 229) = ( 0.2080949 -0.3648133 0.3032203), wk = 0.0027933 k( 230) = ( 0.2167655 -0.3800139 0.3158545), wk = 0.0027933 k( 231) = ( 0.2254361 -0.3952144 0.3284887), wk = 0.0027933 k( 232) = ( 0.2341067 -0.4104150 0.3411228), wk = 0.0027933 k( 233) = ( 0.2427774 -0.4256155 0.3537570), wk = 0.0027933 k( 234) = ( 0.2514480 -0.4408161 0.3663912), wk = 0.0027933 k( 235) = ( 0.2601186 -0.4560166 0.3790254), wk = 0.0027933 k( 236) = ( 0.2687892 -0.4712172 0.3916596), wk = 0.0027933 k( 237) = ( 0.2774598 -0.4864177 0.4042937), wk = 0.0027933 k( 238) = ( 0.2861304 -0.5016183 0.4169279), wk = 0.0027933 k( 239) = ( 0.2948011 -0.5168189 0.4295621), wk = 0.0027933 k( 240) = ( 0.3034717 -0.5320194 0.4421963), wk = 0.0027933 k( 241) = ( 0.3034717 -0.5320194 0.4421963), wk = 0.0027933 k( 242) = ( 0.3165736 -0.5162630 0.4370019), wk = 0.0027933 k( 243) = ( 0.3296755 -0.5005067 0.4318076), wk = 0.0027933 k( 244) = ( 0.3427773 -0.4847503 0.4266133), wk = 0.0027933 k( 245) = ( 0.3558792 -0.4689940 0.4214190), wk = 0.0027933 k( 246) = ( 0.3689811 -0.4532376 0.4162246), wk = 0.0027933 k( 247) = ( 0.3820830 -0.4374812 0.4110303), wk = 0.0027933 k( 248) = ( 0.3951849 -0.4217249 0.4058360), wk = 0.0027933 k( 249) = ( 0.4082868 -0.4059685 0.4006416), wk = 0.0027933 k( 250) = ( 0.4213887 -0.3902121 0.3954473), wk = 0.0027933 k( 251) = ( 0.4344906 -0.3744558 0.3902530), wk = 0.0027933 k( 252) = ( 0.4475924 -0.3586994 0.3850586), wk = 0.0027933 k( 253) = ( 0.4606943 -0.3429431 0.3798643), wk = 0.0027933 k( 254) = ( 0.4737962 -0.3271867 0.3746700), wk = 0.0027933 k( 255) = ( 0.4868981 -0.3114303 0.3694757), wk = 0.0027933 k( 256) = ( 0.5000000 -0.2956740 0.3642813), wk = 0.0027933 k( 257) = ( 0.5000000 -0.2956740 0.3642813), wk = 0.0027933 k( 258) = ( 0.4937500 -0.2847170 0.3817532), wk = 0.0027933 k( 259) = ( 0.4875000 -0.2737601 0.3992251), wk = 0.0027933 k( 260) = ( 0.4812500 -0.2628031 0.4166970), wk = 0.0027933 k( 261) = ( 0.4750000 -0.2518462 0.4341689), wk = 0.0027933 k( 262) = ( 0.4687500 -0.2408893 0.4516408), wk = 0.0027933 k( 263) = ( 0.4625000 -0.2299323 0.4691126), wk = 0.0027933 k( 264) = ( 0.4562500 -0.2189754 0.4865845), wk = 0.0027933 k( 265) = ( 0.4500000 -0.2080184 0.5040564), wk = 0.0027933 k( 266) = ( 0.4437500 -0.1970615 0.5215283), wk = 0.0027933 k( 267) = ( 0.4375000 -0.1861045 0.5390002), wk = 0.0027933 k( 268) = ( 0.4312500 -0.1751476 0.5564721), wk = 0.0027933 k( 269) = ( 0.4250000 -0.1641907 0.5739440), wk = 0.0027933 k( 270) = ( 0.4187500 -0.1532337 0.5914159), wk = 0.0027933 k( 271) = ( 0.4125000 -0.1422768 0.6088877), wk = 0.0027933 k( 272) = ( 0.4062500 -0.1313198 0.6263596), wk = 0.0027933 k( 273) = ( 0.4000000 -0.1203629 0.6438315), wk = 0.0027933 k( 274) = ( 0.3937500 -0.1094060 0.6613034), wk = 0.0027933 k( 275) = ( 0.3875000 -0.0984490 0.6787753), wk = 0.0027933 k( 276) = ( 0.3812500 -0.0874921 0.6962472), wk = 0.0027933 k( 277) = ( 0.3750000 -0.0765351 0.7137191), wk = 0.0027933 k( 278) = ( 0.3687500 -0.0655782 0.7311909), wk = 0.0027933 k( 279) = ( 0.3625000 -0.0546213 0.7486628), wk = 0.0027933 k( 280) = ( 0.3562500 -0.0436643 0.7661347), wk = 0.0027933 k( 281) = ( 0.3500000 -0.0327074 0.7836066), wk = 0.0027933 k( 282) = ( 0.3437500 -0.0217504 0.8010785), wk = 0.0027933 k( 283) = ( 0.3375000 -0.0107935 0.8185504), wk = 0.0027933 k( 284) = ( 0.3312500 0.0001634 0.8360223), wk = 0.0027933 k( 285) = ( 0.3250000 0.0111204 0.8534942), wk = 0.0027933 k( 286) = ( 0.3187500 0.0220773 0.8709660), wk = 0.0027933 k( 287) = ( 0.3125000 0.0330343 0.8884379), wk = 0.0027933 k( 288) = ( 0.3062500 0.0439912 0.9059098), wk = 0.0027933 k( 289) = ( 0.3000000 0.0549481 0.9233817), wk = 0.0027933 k( 290) = ( 0.2937500 0.0659051 0.9408536), wk = 0.0027933 k( 291) = ( 0.2875000 0.0768620 0.9583255), wk = 0.0027933 k( 292) = ( 0.2812500 0.0878190 0.9757974), wk = 0.0027933 k( 293) = ( 0.2750000 0.0987759 0.9932692), wk = 0.0027933 k( 294) = ( 0.2687500 0.1097329 1.0107411), wk = 0.0027933 k( 295) = ( 0.2625000 0.1206898 1.0282130), wk = 0.0027933 k( 296) = ( 0.2562500 0.1316467 1.0456849), wk = 0.0027933 k( 297) = ( 0.2500000 0.1426037 1.0631568), wk = 0.0027933 k( 298) = ( 0.0813432 -0.1426037 1.0631568), wk = 0.0027933 k( 299) = ( 0.0875135 -0.1534208 1.0459079), wk = 0.0027933 k( 300) = ( 0.0936837 -0.1642379 1.0286590), wk = 0.0027933 k( 301) = ( 0.0998539 -0.1750550 1.0114101), wk = 0.0027933 k( 302) = ( 0.1060242 -0.1858721 0.9941612), wk = 0.0027933 k( 303) = ( 0.1121944 -0.1966892 0.9769123), wk = 0.0027933 k( 304) = ( 0.1183646 -0.2075063 0.9596634), wk = 0.0027933 k( 305) = ( 0.1245349 -0.2183234 0.9424145), wk = 0.0027933 k( 306) = ( 0.1307051 -0.2291405 0.9251656), wk = 0.0027933 k( 307) = ( 0.1368753 -0.2399576 0.9079167), wk = 0.0027933 k( 308) = ( 0.1430456 -0.2507747 0.8906678), wk = 0.0027933 k( 309) = ( 0.1492158 -0.2615918 0.8734189), wk = 0.0027933 k( 310) = ( 0.1553860 -0.2724089 0.8561700), wk = 0.0027933 k( 311) = ( 0.1615563 -0.2832260 0.8389211), wk = 0.0027933 k( 312) = ( 0.1677265 -0.2940431 0.8216722), wk = 0.0027933 k( 313) = ( 0.1738967 -0.3048602 0.8044232), wk = 0.0027933 k( 314) = ( 0.1800670 -0.3156773 0.7871743), wk = 0.0027933 k( 315) = ( 0.1862372 -0.3264944 0.7699254), wk = 0.0027933 k( 316) = ( 0.1924075 -0.3373115 0.7526765), wk = 0.0027933 k( 317) = ( 0.1985777 -0.3481286 0.7354276), wk = 0.0027933 k( 318) = ( 0.2047479 -0.3589458 0.7181787), wk = 0.0027933 k( 319) = ( 0.2109182 -0.3697628 0.7009298), wk = 0.0027933 k( 320) = ( 0.2170884 -0.3805800 0.6836809), wk = 0.0027933 k( 321) = ( 0.2232586 -0.3913971 0.6664320), wk = 0.0027933 k( 322) = ( 0.2294289 -0.4022142 0.6491831), wk = 0.0027933 k( 323) = ( 0.2355991 -0.4130313 0.6319342), wk = 0.0027933 k( 324) = ( 0.2417693 -0.4238484 0.6146853), wk = 0.0027933 k( 325) = ( 0.2479396 -0.4346655 0.5974364), wk = 0.0027933 k( 326) = ( 0.2541098 -0.4454826 0.5801875), wk = 0.0027933 k( 327) = ( 0.2602800 -0.4562997 0.5629386), wk = 0.0027933 k( 328) = ( 0.2664503 -0.4671168 0.5456897), wk = 0.0027933 k( 329) = ( 0.2726205 -0.4779339 0.5284408), wk = 0.0027933 k( 330) = ( 0.2787907 -0.4887510 0.5111919), wk = 0.0027933 k( 331) = ( 0.2849610 -0.4995681 0.4939430), wk = 0.0027933 k( 332) = ( 0.2911312 -0.5103852 0.4766941), wk = 0.0027933 k( 333) = ( 0.2973015 -0.5212023 0.4594452), wk = 0.0027933 k( 334) = ( 0.3034717 -0.5320194 0.4421963), wk = 0.0027933 k( 335) = ( 0.6965283 -0.0593285 0.2863664), wk = 0.0027933 k( 336) = ( 0.6879836 -0.0443487 0.2739157), wk = 0.0027933 k( 337) = ( 0.6794389 -0.0293689 0.2614649), wk = 0.0027933 k( 338) = ( 0.6708942 -0.0143890 0.2490142), wk = 0.0027933 k( 339) = ( 0.6623495 0.0005908 0.2365635), wk = 0.0027933 k( 340) = ( 0.6538048 0.0155706 0.2241128), wk = 0.0027933 k( 341) = ( 0.6452601 0.0305504 0.2116621), wk = 0.0027933 k( 342) = ( 0.6367154 0.0455302 0.1992114), wk = 0.0027933 k( 343) = ( 0.6281706 0.0605100 0.1867607), wk = 0.0027933 k( 344) = ( 0.6196259 0.0754899 0.1743100), wk = 0.0027933 k( 345) = ( 0.6110812 0.0904697 0.1618593), wk = 0.0027933 k( 346) = ( 0.6025365 0.1054495 0.1494085), wk = 0.0027933 k( 347) = ( 0.5939918 0.1204293 0.1369578), wk = 0.0027933 k( 348) = ( 0.5854471 0.1354092 0.1245071), wk = 0.0027933 k( 349) = ( 0.5769024 0.1503890 0.1120564), wk = 0.0027933 k( 350) = ( 0.5683577 0.1653688 0.0996057), wk = 0.0027933 k( 351) = ( 0.5598130 0.1803486 0.0871550), wk = 0.0027933 k( 352) = ( 0.5512683 0.1953284 0.0747043), wk = 0.0027933 k( 353) = ( 0.5427236 0.2103082 0.0622536), wk = 0.0027933 k( 354) = ( 0.5341788 0.2252881 0.0498029), wk = 0.0027933 k( 355) = ( 0.5256341 0.2402679 0.0373521), wk = 0.0027933 k( 356) = ( 0.5170894 0.2552477 0.0249014), wk = 0.0027933 k( 357) = ( 0.5085447 0.2702275 0.0124507), wk = 0.0027933 k( 358) = ( 0.5000000 0.2852073 -0.0000000), wk = 0.0027933 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( -0.0061749 0.0061749 0.0061749), wk = 0.0027933 k( 3) = ( -0.0123499 0.0123498 0.0123498), wk = 0.0027933 k( 4) = ( -0.0185248 0.0185248 0.0185248), wk = 0.0027933 k( 5) = ( -0.0246997 0.0246997 0.0246997), wk = 0.0027933 k( 6) = ( -0.0308746 0.0308746 0.0308746), wk = 0.0027933 k( 7) = ( -0.0370495 0.0370495 0.0370495), wk = 0.0027933 k( 8) = ( -0.0432245 0.0432245 0.0432245), wk = 0.0027933 k( 9) = ( -0.0493994 0.0493994 0.0493994), wk = 0.0027933 k( 10) = ( -0.0555743 0.0555743 0.0555743), wk = 0.0027933 k( 11) = ( -0.0617492 0.0617492 0.0617492), wk = 0.0027933 k( 12) = ( -0.0679242 0.0679242 0.0679241), wk = 0.0027933 k( 13) = ( -0.0740991 0.0740991 0.0740991), wk = 0.0027933 k( 14) = ( -0.0802740 0.0802740 0.0802740), wk = 0.0027933 k( 15) = ( -0.0864489 0.0864489 0.0864489), wk = 0.0027933 k( 16) = ( -0.0926238 0.0926239 0.0926238), wk = 0.0027933 k( 17) = ( -0.0987988 0.0987988 0.0987988), wk = 0.0027933 k( 18) = ( -0.1049737 0.1049737 0.1049737), wk = 0.0027933 k( 19) = ( -0.1111486 0.1111486 0.1111486), wk = 0.0027933 k( 20) = ( -0.1173235 0.1173235 0.1173235), wk = 0.0027933 k( 21) = ( -0.1234985 0.1234985 0.1234985), wk = 0.0027933 k( 22) = ( -0.1296734 0.1296734 0.1296734), wk = 0.0027933 k( 23) = ( -0.1358483 0.1358483 0.1358483), wk = 0.0027933 k( 24) = ( -0.1420232 0.1420232 0.1420232), wk = 0.0027933 k( 25) = ( -0.1481982 0.1481982 0.1481982), wk = 0.0027933 k( 26) = ( -0.1543731 0.1543731 0.1543731), wk = 0.0027933 k( 27) = ( -0.1605480 0.1605480 0.1605480), wk = 0.0027933 k( 28) = ( -0.1667229 0.1667229 0.1667229), wk = 0.0027933 k( 29) = ( -0.1728978 0.1728978 0.1728978), wk = 0.0027933 k( 30) = ( -0.1790728 0.1790728 0.1790728), wk = 0.0027933 k( 31) = ( -0.1852477 0.1852477 0.1852477), wk = 0.0027933 k( 32) = ( -0.1914226 0.1914226 0.1914226), wk = 0.0027933 k( 33) = ( -0.1975975 0.1975975 0.1975975), wk = 0.0027933 k( 34) = ( -0.2037725 0.2037725 0.2037725), wk = 0.0027933 k( 35) = ( -0.2099474 0.2099474 0.2099474), wk = 0.0027933 k( 36) = ( -0.2161223 0.2161223 0.2161223), wk = 0.0027933 k( 37) = ( -0.2222972 0.2222972 0.2222972), wk = 0.0027933 k( 38) = ( -0.2284722 0.2284722 0.2284722), wk = 0.0027933 k( 39) = ( -0.2346471 0.2346471 0.2346471), wk = 0.0027933 k( 40) = ( -0.2408220 0.2408220 0.2408220), wk = 0.0027933 k( 41) = ( -0.2469969 0.2469969 0.2469969), wk = 0.0027933 k( 42) = ( -0.2531718 0.2531718 0.2531718), wk = 0.0027933 k( 43) = ( -0.2593468 0.2593468 0.2593468), wk = 0.0027933 k( 44) = ( -0.2655217 0.2655217 0.2655217), wk = 0.0027933 k( 45) = ( -0.2716966 0.2716966 0.2716966), wk = 0.0027933 k( 46) = ( -0.2778715 0.2778715 0.2778715), wk = 0.0027933 k( 47) = ( -0.2778715 0.2778715 0.2778715), wk = 0.0027933 k( 48) = ( -0.2693268 0.2693268 0.2864162), wk = 0.0027933 k( 49) = ( -0.2607821 0.2607821 0.2949610), wk = 0.0027933 k( 50) = ( -0.2522374 0.2522374 0.3035057), wk = 0.0027933 k( 51) = ( -0.2436927 0.2436927 0.3120504), wk = 0.0027933 k( 52) = ( -0.2351480 0.2351480 0.3205951), wk = 0.0027933 k( 53) = ( -0.2266033 0.2266033 0.3291398), wk = 0.0027933 k( 54) = ( -0.2180586 0.2180586 0.3376845), wk = 0.0027933 k( 55) = ( -0.2095139 0.2095139 0.3462292), wk = 0.0027933 k( 56) = ( -0.2009692 0.2009692 0.3547739), wk = 0.0027933 k( 57) = ( -0.1924244 0.1924244 0.3633186), wk = 0.0027933 k( 58) = ( -0.1838797 0.1838797 0.3718633), wk = 0.0027933 k( 59) = ( -0.1753350 0.1753350 0.3804080), wk = 0.0027933 k( 60) = ( -0.1667903 0.1667903 0.3889528), wk = 0.0027933 k( 61) = ( -0.1582456 0.1582456 0.3974975), wk = 0.0027933 k( 62) = ( -0.1497009 0.1497009 0.4060422), wk = 0.0027933 k( 63) = ( -0.1411562 0.1411562 0.4145869), wk = 0.0027933 k( 64) = ( -0.1326115 0.1326115 0.4231316), wk = 0.0027933 k( 65) = ( -0.1240668 0.1240668 0.4316763), wk = 0.0027933 k( 66) = ( -0.1155221 0.1155221 0.4402210), wk = 0.0027933 k( 67) = ( -0.1069774 0.1069774 0.4487657), wk = 0.0027933 k( 68) = ( -0.0984326 0.0984326 0.4573104), wk = 0.0027933 k( 69) = ( -0.0898879 0.0898879 0.4658551), wk = 0.0027933 k( 70) = ( -0.0813432 0.0813432 0.4743999), wk = 0.0027933 k( 71) = ( -0.0813432 0.0813432 0.4743999), wk = 0.0027933 k( 72) = ( -0.0711753 0.0711753 0.4775999), wk = 0.0027933 k( 73) = ( -0.0610074 0.0610074 0.4807999), wk = 0.0027933 k( 74) = ( -0.0508395 0.0508395 0.4839999), wk = 0.0027933 k( 75) = ( -0.0406716 0.0406716 0.4871999), wk = 0.0027933 k( 76) = ( -0.0305037 0.0305037 0.4903999), wk = 0.0027933 k( 77) = ( -0.0203358 0.0203358 0.4936000), wk = 0.0027933 k( 78) = ( -0.0101679 0.0101679 0.4968000), wk = 0.0027933 k( 79) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 80) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 81) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0027933 k( 82) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0027933 k( 83) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0027933 k( 84) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0027933 k( 85) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0027933 k( 86) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0027933 k( 87) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0027933 k( 88) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0027933 k( 89) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0027933 k( 90) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0027933 k( 91) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0027933 k( 92) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0027933 k( 93) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0027933 k( 94) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027933 k( 95) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027933 k( 96) = ( 0.2413793 0.2586207 0.2413793), wk = 0.0027933 k( 97) = ( 0.2327586 0.2672414 0.2327586), wk = 0.0027933 k( 98) = ( 0.2241379 0.2758621 0.2241379), wk = 0.0027933 k( 99) = ( 0.2155172 0.2844828 0.2155172), wk = 0.0027933 k( 100) = ( 0.2068966 0.2931034 0.2068966), wk = 0.0027933 k( 101) = ( 0.1982759 0.3017241 0.1982759), wk = 0.0027933 k( 102) = ( 0.1896552 0.3103448 0.1896552), wk = 0.0027933 k( 103) = ( 0.1810345 0.3189655 0.1810345), wk = 0.0027933 k( 104) = ( 0.1724138 0.3275862 0.1724138), wk = 0.0027933 k( 105) = ( 0.1637931 0.3362069 0.1637931), wk = 0.0027933 k( 106) = ( 0.1551724 0.3448276 0.1551724), wk = 0.0027933 k( 107) = ( 0.1465517 0.3534483 0.1465517), wk = 0.0027933 k( 108) = ( 0.1379310 0.3620690 0.1379310), wk = 0.0027933 k( 109) = ( 0.1293103 0.3706897 0.1293103), wk = 0.0027933 k( 110) = ( 0.1206897 0.3793103 0.1206897), wk = 0.0027933 k( 111) = ( 0.1120690 0.3879310 0.1120690), wk = 0.0027933 k( 112) = ( 0.1034483 0.3965517 0.1034483), wk = 0.0027933 k( 113) = ( 0.0948276 0.4051724 0.0948276), wk = 0.0027933 k( 114) = ( 0.0862069 0.4137931 0.0862069), wk = 0.0027933 k( 115) = ( 0.0775862 0.4224138 0.0775862), wk = 0.0027933 k( 116) = ( 0.0689655 0.4310345 0.0689655), wk = 0.0027933 k( 117) = ( 0.0603448 0.4396552 0.0603448), wk = 0.0027933 k( 118) = ( 0.0517241 0.4482759 0.0517241), wk = 0.0027933 k( 119) = ( 0.0431035 0.4568965 0.0431035), wk = 0.0027933 k( 120) = ( 0.0344828 0.4655172 0.0344828), wk = 0.0027933 k( 121) = ( 0.0258621 0.4741379 0.0258621), wk = 0.0027933 k( 122) = ( 0.0172414 0.4827586 0.0172414), wk = 0.0027933 k( 123) = ( 0.0086207 0.4913793 0.0086207), wk = 0.0027933 k( 124) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027933 k( 125) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027933 k( 126) = ( 0.0198480 0.5158663 -0.0198480), wk = 0.0027933 k( 127) = ( 0.0396959 0.5317326 -0.0396959), wk = 0.0027933 k( 128) = ( 0.0595439 0.5475990 -0.0595439), wk = 0.0027933 k( 129) = ( 0.0793919 0.5634653 -0.0793919), wk = 0.0027933 k( 130) = ( 0.0992398 0.5793316 -0.0992398), wk = 0.0027933 k( 131) = ( 0.1190878 0.5951979 -0.1190878), wk = 0.0027933 k( 132) = ( 0.1389358 0.6110642 -0.1389358), wk = 0.0027933 k( 133) = ( 0.1587837 0.6269305 -0.1587837), wk = 0.0027933 k( 134) = ( 0.1786317 0.6427969 -0.1786317), wk = 0.0027933 k( 135) = ( 0.1984797 0.6586632 -0.1984797), wk = 0.0027933 k( 136) = ( 0.2183276 0.6745295 -0.2183276), wk = 0.0027933 k( 137) = ( 0.2381756 0.6903958 -0.2381756), wk = 0.0027933 k( 138) = ( 0.2580236 0.7062621 -0.2580236), wk = 0.0027933 k( 139) = ( 0.2778715 0.7221285 -0.2778715), wk = 0.0027933 k( 140) = ( 0.2778715 0.7221285 -0.2778715), wk = 0.0027933 k( 141) = ( 0.2840418 0.7159582 -0.2840418), wk = 0.0027933 k( 142) = ( 0.2902120 0.7097880 -0.2902120), wk = 0.0027933 k( 143) = ( 0.2963823 0.7036177 -0.2963822), wk = 0.0027933 k( 144) = ( 0.3025525 0.6974475 -0.3025525), wk = 0.0027933 k( 145) = ( 0.3087227 0.6912773 -0.3087227), wk = 0.0027933 k( 146) = ( 0.3148930 0.6851070 -0.3148929), wk = 0.0027933 k( 147) = ( 0.3210632 0.6789368 -0.3210632), wk = 0.0027933 k( 148) = ( 0.3272334 0.6727666 -0.3272334), wk = 0.0027933 k( 149) = ( 0.3334037 0.6665963 -0.3334037), wk = 0.0027933 k( 150) = ( 0.3395739 0.6604261 -0.3395739), wk = 0.0027933 k( 151) = ( 0.3457441 0.6542559 -0.3457441), wk = 0.0027933 k( 152) = ( 0.3519144 0.6480856 -0.3519144), wk = 0.0027933 k( 153) = ( 0.3580846 0.6419154 -0.3580846), wk = 0.0027933 k( 154) = ( 0.3642548 0.6357452 -0.3642548), wk = 0.0027933 k( 155) = ( 0.3704251 0.6295749 -0.3704251), wk = 0.0027933 k( 156) = ( 0.3765953 0.6234047 -0.3765953), wk = 0.0027933 k( 157) = ( 0.3827655 0.6172345 -0.3827655), wk = 0.0027933 k( 158) = ( 0.3889358 0.6110642 -0.3889358), wk = 0.0027933 k( 159) = ( 0.3951060 0.6048940 -0.3951060), wk = 0.0027933 k( 160) = ( 0.4012762 0.5987238 -0.4012762), wk = 0.0027933 k( 161) = ( 0.4074465 0.5925535 -0.4074465), wk = 0.0027933 k( 162) = ( 0.4136167 0.5863833 -0.4136167), wk = 0.0027933 k( 163) = ( 0.4197869 0.5802131 -0.4197869), wk = 0.0027933 k( 164) = ( 0.4259572 0.5740428 -0.4259572), wk = 0.0027933 k( 165) = ( 0.4321274 0.5678726 -0.4321274), wk = 0.0027933 k( 166) = ( 0.4382976 0.5617023 -0.4382976), wk = 0.0027933 k( 167) = ( 0.4444679 0.5555321 -0.4444679), wk = 0.0027933 k( 168) = ( 0.4506381 0.5493619 -0.4506381), wk = 0.0027933 k( 169) = ( 0.4568084 0.5431916 -0.4568084), wk = 0.0027933 k( 170) = ( 0.4629786 0.5370214 -0.4629786), wk = 0.0027933 k( 171) = ( 0.4691488 0.5308512 -0.4691488), wk = 0.0027933 k( 172) = ( 0.4753191 0.5246809 -0.4753191), wk = 0.0027933 k( 173) = ( 0.4814893 0.5185107 -0.4814893), wk = 0.0027933 k( 174) = ( 0.4876595 0.5123405 -0.4876595), wk = 0.0027933 k( 175) = ( 0.4938298 0.5061702 -0.4938298), wk = 0.0027933 k( 176) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027933 k( 177) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027933 k( 178) = ( 0.4814815 0.4814815 -0.4814815), wk = 0.0027933 k( 179) = ( 0.4629630 0.4629630 -0.4629630), wk = 0.0027933 k( 180) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0027933 k( 181) = ( 0.4259259 0.4259259 -0.4259259), wk = 0.0027933 k( 182) = ( 0.4074074 0.4074074 -0.4074074), wk = 0.0027933 k( 183) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0027933 k( 184) = ( 0.3703704 0.3703704 -0.3703704), wk = 0.0027933 k( 185) = ( 0.3518519 0.3518518 -0.3518518), wk = 0.0027933 k( 186) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0027933 k( 187) = ( 0.3148148 0.3148148 -0.3148148), wk = 0.0027933 k( 188) = ( 0.2962963 0.2962963 -0.2962963), wk = 0.0027933 k( 189) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0027933 k( 190) = ( 0.2592593 0.2592593 -0.2592593), wk = 0.0027933 k( 191) = ( 0.2407407 0.2407407 -0.2407407), wk = 0.0027933 k( 192) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0027933 k( 193) = ( 0.2037037 0.2037037 -0.2037037), wk = 0.0027933 k( 194) = ( 0.1851852 0.1851852 -0.1851852), wk = 0.0027933 k( 195) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0027933 k( 196) = ( 0.1481482 0.1481482 -0.1481482), wk = 0.0027933 k( 197) = ( 0.1296296 0.1296296 -0.1296296), wk = 0.0027933 k( 198) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0027933 k( 199) = ( 0.0925926 0.0925926 -0.0925926), wk = 0.0027933 k( 200) = ( 0.0740741 0.0740741 -0.0740741), wk = 0.0027933 k( 201) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0027933 k( 202) = ( 0.0370370 0.0370370 -0.0370370), wk = 0.0027933 k( 203) = ( 0.0185185 0.0185185 -0.0185185), wk = 0.0027933 k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 205) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 206) = ( 0.0086706 -0.0086706 0.0086706), wk = 0.0027933 k( 207) = ( 0.0173412 -0.0173412 0.0173412), wk = 0.0027933 k( 208) = ( 0.0260119 -0.0260119 0.0260119), wk = 0.0027933 k( 209) = ( 0.0346825 -0.0346825 0.0346825), wk = 0.0027933 k( 210) = ( 0.0433531 -0.0433531 0.0433531), wk = 0.0027933 k( 211) = ( 0.0520237 -0.0520237 0.0520237), wk = 0.0027933 k( 212) = ( 0.0606943 -0.0606943 0.0606943), wk = 0.0027933 k( 213) = ( 0.0693650 -0.0693650 0.0693650), wk = 0.0027933 k( 214) = ( 0.0780356 -0.0780356 0.0780356), wk = 0.0027933 k( 215) = ( 0.0867062 -0.0867062 0.0867062), wk = 0.0027933 k( 216) = ( 0.0953768 -0.0953768 0.0953768), wk = 0.0027933 k( 217) = ( 0.1040474 -0.1040474 0.1040474), wk = 0.0027933 k( 218) = ( 0.1127181 -0.1127181 0.1127181), wk = 0.0027933 k( 219) = ( 0.1213887 -0.1213887 0.1213887), wk = 0.0027933 k( 220) = ( 0.1300593 -0.1300593 0.1300593), wk = 0.0027933 k( 221) = ( 0.1387299 -0.1387299 0.1387299), wk = 0.0027933 k( 222) = ( 0.1474005 -0.1474005 0.1474005), wk = 0.0027933 k( 223) = ( 0.1560711 -0.1560711 0.1560711), wk = 0.0027933 k( 224) = ( 0.1647418 -0.1647418 0.1647418), wk = 0.0027933 k( 225) = ( 0.1734124 -0.1734124 0.1734124), wk = 0.0027933 k( 226) = ( 0.1820830 -0.1820830 0.1820830), wk = 0.0027933 k( 227) = ( 0.1907536 -0.1907536 0.1907536), wk = 0.0027933 k( 228) = ( 0.1994242 -0.1994242 0.1994242), wk = 0.0027933 k( 229) = ( 0.2080949 -0.2080949 0.2080949), wk = 0.0027933 k( 230) = ( 0.2167655 -0.2167655 0.2167655), wk = 0.0027933 k( 231) = ( 0.2254361 -0.2254361 0.2254361), wk = 0.0027933 k( 232) = ( 0.2341067 -0.2341067 0.2341067), wk = 0.0027933 k( 233) = ( 0.2427774 -0.2427774 0.2427773), wk = 0.0027933 k( 234) = ( 0.2514480 -0.2514480 0.2514480), wk = 0.0027933 k( 235) = ( 0.2601186 -0.2601186 0.2601186), wk = 0.0027933 k( 236) = ( 0.2687892 -0.2687892 0.2687892), wk = 0.0027933 k( 237) = ( 0.2774598 -0.2774598 0.2774598), wk = 0.0027933 k( 238) = ( 0.2861304 -0.2861304 0.2861304), wk = 0.0027933 k( 239) = ( 0.2948011 -0.2948011 0.2948011), wk = 0.0027933 k( 240) = ( 0.3034717 -0.3034717 0.3034717), wk = 0.0027933 k( 241) = ( 0.3034717 -0.3034717 0.3034717), wk = 0.0027933 k( 242) = ( 0.3165736 -0.2832402 0.2832402), wk = 0.0027933 k( 243) = ( 0.3296755 -0.2630088 0.2630088), wk = 0.0027933 k( 244) = ( 0.3427773 -0.2427774 0.2427773), wk = 0.0027933 k( 245) = ( 0.3558792 -0.2225459 0.2225459), wk = 0.0027933 k( 246) = ( 0.3689811 -0.2023145 0.2023145), wk = 0.0027933 k( 247) = ( 0.3820830 -0.1820830 0.1820830), wk = 0.0027933 k( 248) = ( 0.3951849 -0.1618516 0.1618516), wk = 0.0027933 k( 249) = ( 0.4082868 -0.1416201 0.1416201), wk = 0.0027933 k( 250) = ( 0.4213887 -0.1213887 0.1213887), wk = 0.0027933 k( 251) = ( 0.4344906 -0.1011572 0.1011572), wk = 0.0027933 k( 252) = ( 0.4475924 -0.0809258 0.0809258), wk = 0.0027933 k( 253) = ( 0.4606943 -0.0606943 0.0606943), wk = 0.0027933 k( 254) = ( 0.4737962 -0.0404629 0.0404629), wk = 0.0027933 k( 255) = ( 0.4868981 -0.0202314 0.0202314), wk = 0.0027933 k( 256) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027933 k( 257) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0027933 k( 258) = ( 0.4937500 0.0062500 0.0062500), wk = 0.0027933 k( 259) = ( 0.4875000 0.0125000 0.0125000), wk = 0.0027933 k( 260) = ( 0.4812500 0.0187500 0.0187500), wk = 0.0027933 k( 261) = ( 0.4750000 0.0250000 0.0250000), wk = 0.0027933 k( 262) = ( 0.4687500 0.0312500 0.0312500), wk = 0.0027933 k( 263) = ( 0.4625000 0.0375000 0.0375000), wk = 0.0027933 k( 264) = ( 0.4562500 0.0437500 0.0437500), wk = 0.0027933 k( 265) = ( 0.4500000 0.0500000 0.0500000), wk = 0.0027933 k( 266) = ( 0.4437500 0.0562500 0.0562500), wk = 0.0027933 k( 267) = ( 0.4375000 0.0625000 0.0625000), wk = 0.0027933 k( 268) = ( 0.4312500 0.0687500 0.0687500), wk = 0.0027933 k( 269) = ( 0.4250000 0.0750000 0.0750000), wk = 0.0027933 k( 270) = ( 0.4187500 0.0812500 0.0812500), wk = 0.0027933 k( 271) = ( 0.4125000 0.0875000 0.0875000), wk = 0.0027933 k( 272) = ( 0.4062500 0.0937500 0.0937500), wk = 0.0027933 k( 273) = ( 0.4000000 0.1000000 0.1000000), wk = 0.0027933 k( 274) = ( 0.3937500 0.1062500 0.1062500), wk = 0.0027933 k( 275) = ( 0.3875000 0.1125000 0.1125000), wk = 0.0027933 k( 276) = ( 0.3812500 0.1187500 0.1187500), wk = 0.0027933 k( 277) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0027933 k( 278) = ( 0.3687500 0.1312500 0.1312500), wk = 0.0027933 k( 279) = ( 0.3625000 0.1375000 0.1375000), wk = 0.0027933 k( 280) = ( 0.3562500 0.1437500 0.1437500), wk = 0.0027933 k( 281) = ( 0.3500000 0.1500000 0.1500000), wk = 0.0027933 k( 282) = ( 0.3437500 0.1562500 0.1562500), wk = 0.0027933 k( 283) = ( 0.3375000 0.1625000 0.1625000), wk = 0.0027933 k( 284) = ( 0.3312500 0.1687500 0.1687500), wk = 0.0027933 k( 285) = ( 0.3250000 0.1750000 0.1750000), wk = 0.0027933 k( 286) = ( 0.3187500 0.1812500 0.1812500), wk = 0.0027933 k( 287) = ( 0.3125000 0.1875000 0.1875000), wk = 0.0027933 k( 288) = ( 0.3062500 0.1937500 0.1937500), wk = 0.0027933 k( 289) = ( 0.3000000 0.2000000 0.2000000), wk = 0.0027933 k( 290) = ( 0.2937500 0.2062500 0.2062500), wk = 0.0027933 k( 291) = ( 0.2875000 0.2125000 0.2125000), wk = 0.0027933 k( 292) = ( 0.2812500 0.2187500 0.2187500), wk = 0.0027933 k( 293) = ( 0.2750000 0.2250000 0.2250000), wk = 0.0027933 k( 294) = ( 0.2687500 0.2312500 0.2312500), wk = 0.0027933 k( 295) = ( 0.2625000 0.2375000 0.2375000), wk = 0.0027933 k( 296) = ( 0.2562500 0.2437500 0.2437500), wk = 0.0027933 k( 297) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027933 k( 298) = ( 0.0813432 -0.0813432 0.5256001), wk = 0.0027933 k( 299) = ( 0.0875135 -0.0875135 0.5194299), wk = 0.0027933 k( 300) = ( 0.0936837 -0.0936837 0.5132597), wk = 0.0027933 k( 301) = ( 0.0998539 -0.0998539 0.5070894), wk = 0.0027933 k( 302) = ( 0.1060242 -0.1060242 0.5009192), wk = 0.0027933 k( 303) = ( 0.1121944 -0.1121944 0.4947490), wk = 0.0027933 k( 304) = ( 0.1183646 -0.1183646 0.4885787), wk = 0.0027933 k( 305) = ( 0.1245349 -0.1245349 0.4824085), wk = 0.0027933 k( 306) = ( 0.1307051 -0.1307051 0.4762383), wk = 0.0027933 k( 307) = ( 0.1368753 -0.1368753 0.4700680), wk = 0.0027933 k( 308) = ( 0.1430456 -0.1430456 0.4638978), wk = 0.0027933 k( 309) = ( 0.1492158 -0.1492158 0.4577276), wk = 0.0027933 k( 310) = ( 0.1553860 -0.1553860 0.4515573), wk = 0.0027933 k( 311) = ( 0.1615563 -0.1615563 0.4453871), wk = 0.0027933 k( 312) = ( 0.1677265 -0.1677265 0.4392169), wk = 0.0027933 k( 313) = ( 0.1738967 -0.1738967 0.4330466), wk = 0.0027933 k( 314) = ( 0.1800670 -0.1800670 0.4268764), wk = 0.0027933 k( 315) = ( 0.1862372 -0.1862372 0.4207062), wk = 0.0027933 k( 316) = ( 0.1924075 -0.1924075 0.4145359), wk = 0.0027933 k( 317) = ( 0.1985777 -0.1985777 0.4083657), wk = 0.0027933 k( 318) = ( 0.2047479 -0.2047479 0.4021955), wk = 0.0027933 k( 319) = ( 0.2109182 -0.2109182 0.3960252), wk = 0.0027933 k( 320) = ( 0.2170884 -0.2170884 0.3898550), wk = 0.0027933 k( 321) = ( 0.2232586 -0.2232586 0.3836847), wk = 0.0027933 k( 322) = ( 0.2294289 -0.2294289 0.3775145), wk = 0.0027933 k( 323) = ( 0.2355991 -0.2355991 0.3713443), wk = 0.0027933 k( 324) = ( 0.2417693 -0.2417693 0.3651740), wk = 0.0027933 k( 325) = ( 0.2479396 -0.2479396 0.3590038), wk = 0.0027933 k( 326) = ( 0.2541098 -0.2541098 0.3528336), wk = 0.0027933 k( 327) = ( 0.2602800 -0.2602800 0.3466633), wk = 0.0027933 k( 328) = ( 0.2664503 -0.2664503 0.3404931), wk = 0.0027933 k( 329) = ( 0.2726205 -0.2726205 0.3343229), wk = 0.0027933 k( 330) = ( 0.2787907 -0.2787907 0.3281526), wk = 0.0027933 k( 331) = ( 0.2849610 -0.2849610 0.3219824), wk = 0.0027933 k( 332) = ( 0.2911312 -0.2911312 0.3158122), wk = 0.0027933 k( 333) = ( 0.2973015 -0.2973015 0.3096419), wk = 0.0027933 k( 334) = ( 0.3034717 -0.3034717 0.3034717), wk = 0.0027933 k( 335) = ( 0.6965283 0.3034717 -0.3034717), wk = 0.0027933 k( 336) = ( 0.6879836 0.3120164 -0.3120164), wk = 0.0027933 k( 337) = ( 0.6794389 0.3205611 -0.3205611), wk = 0.0027933 k( 338) = ( 0.6708942 0.3291058 -0.3291058), wk = 0.0027933 k( 339) = ( 0.6623495 0.3376505 -0.3376505), wk = 0.0027933 k( 340) = ( 0.6538048 0.3461952 -0.3461952), wk = 0.0027933 k( 341) = ( 0.6452601 0.3547399 -0.3547399), wk = 0.0027933 k( 342) = ( 0.6367154 0.3632846 -0.3632847), wk = 0.0027933 k( 343) = ( 0.6281706 0.3718294 -0.3718294), wk = 0.0027933 k( 344) = ( 0.6196259 0.3803741 -0.3803741), wk = 0.0027933 k( 345) = ( 0.6110812 0.3889188 -0.3889188), wk = 0.0027933 k( 346) = ( 0.6025365 0.3974635 -0.3974635), wk = 0.0027933 k( 347) = ( 0.5939918 0.4060082 -0.4060082), wk = 0.0027933 k( 348) = ( 0.5854471 0.4145529 -0.4145529), wk = 0.0027933 k( 349) = ( 0.5769024 0.4230976 -0.4230976), wk = 0.0027933 k( 350) = ( 0.5683577 0.4316423 -0.4316423), wk = 0.0027933 k( 351) = ( 0.5598130 0.4401870 -0.4401870), wk = 0.0027933 k( 352) = ( 0.5512683 0.4487317 -0.4487317), wk = 0.0027933 k( 353) = ( 0.5427236 0.4572764 -0.4572764), wk = 0.0027933 k( 354) = ( 0.5341788 0.4658212 -0.4658212), wk = 0.0027933 k( 355) = ( 0.5256341 0.4743659 -0.4743659), wk = 0.0027933 k( 356) = ( 0.5170894 0.4829106 -0.4829106), wk = 0.0027933 k( 357) = ( 0.5085447 0.4914553 -0.4914553), wk = 0.0027933 k( 358) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027933 Dense grid: 53589 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 36615 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 206, 52) NL pseudopotentials 0.16 Mb ( 103, 103) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1117) G-vector shells 0.01 Mb ( 1012) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.65 Mb ( 206, 208) Each subspace H/S matrix 0.66 Mb ( 208, 208) Each matrix 0.16 Mb ( 103, 2, 52) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Cu2GeSe3.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 43.0 secs Computing kpt #: 2 total cpu time spent up to now is 45.6 secs Computing kpt #: 3 total cpu time spent up to now is 49.4 secs Computing kpt #: 4 total cpu time spent up to now is 53.0 secs Computing kpt #: 5 total cpu time spent up to now is 55.9 secs Computing kpt #: 6 total cpu time spent up to now is 58.5 secs Computing kpt #: 7 total cpu time spent up to now is 61.3 secs Computing kpt #: 8 total cpu time spent up to now is 63.8 secs Computing kpt #: 9 total cpu time spent up to now is 66.2 secs Computing kpt #: 10 total cpu time spent up to now is 68.6 secs Computing kpt #: 11 total cpu time spent up to now is 71.0 secs Computing kpt #: 12 total cpu time spent up to now is 73.4 secs Computing kpt #: 13 total cpu time spent up to now is 75.8 secs Computing kpt #: 14 total cpu time spent up to now is 78.3 secs Computing kpt #: 15 total cpu time spent up to now is 80.7 secs Computing kpt #: 16 total cpu time spent up to now is 83.1 secs Computing kpt #: 17 total cpu time spent up to now is 85.4 secs Computing kpt #: 18 total cpu time spent up to now is 87.8 secs Computing kpt #: 19 total cpu time spent up to now is 90.2 secs Computing kpt #: 20 total cpu time spent up to now is 92.5 secs Computing kpt #: 21 total cpu time spent up to now is 95.0 secs Computing kpt #: 22 total cpu time spent up to now is 97.6 secs Computing kpt #: 23 total cpu time spent up to now is 100.5 secs Computing kpt #: 24 total cpu time spent up to now is 103.0 secs Computing kpt #: 25 total cpu time spent up to now is 106.4 secs Computing kpt #: 26 total cpu time spent up to now is 109.1 secs Computing kpt #: 27 total cpu time spent up to now is 111.5 secs Computing kpt #: 28 total cpu time spent up to now is 114.0 secs Computing kpt #: 29 total cpu time spent up to now is 116.4 secs Computing kpt #: 30 total cpu time spent up to now is 118.7 secs Computing kpt #: 31 total cpu time spent up to now is 121.1 secs Computing kpt #: 32 total cpu time spent up to now is 123.7 secs Computing kpt #: 33 total cpu time spent up to now is 126.0 secs Computing kpt #: 34 total cpu time spent up to now is 128.4 secs Computing kpt #: 35 total cpu time spent up to now is 130.8 secs Computing kpt #: 36 total cpu time spent up to now is 133.2 secs Computing kpt #: 37 total cpu time spent up to now is 135.6 secs Computing kpt #: 38 total cpu time spent up to now is 137.9 secs Computing kpt #: 39 total cpu time spent up to now is 140.3 secs Computing kpt #: 40 total cpu time spent up to now is 142.7 secs Computing kpt #: 41 total cpu time spent up to now is 145.2 secs Computing kpt #: 42 total cpu time spent up to now is 147.6 secs Computing kpt #: 43 total cpu time spent up to now is 150.0 secs Computing kpt #: 44 total cpu time spent up to now is 152.4 secs Computing kpt #: 45 total cpu time spent up to now is 154.8 secs Computing kpt #: 46 total cpu time spent up to now is 157.4 secs Computing kpt #: 47 total cpu time spent up to now is 159.8 secs Computing kpt #: 48 total cpu time spent up to now is 162.1 secs Computing kpt #: 49 total cpu time spent up to now is 165.0 secs Computing kpt #: 50 total cpu time spent up to now is 167.8 secs Computing kpt #: 51 total cpu time spent up to now is 170.5 secs Computing kpt #: 52 total cpu time spent up to now is 173.0 secs Computing kpt #: 53 total cpu time spent up to now is 175.6 secs Computing kpt #: 54 total cpu time spent up to now is 178.0 secs Computing kpt #: 55 total cpu time spent up to now is 180.4 secs Computing kpt #: 56 total cpu time spent up to now is 182.8 secs Computing kpt #: 57 total cpu time spent up to now is 185.3 secs Computing kpt #: 58 total cpu time spent up to now is 187.4 secs Computing kpt #: 59 total cpu time spent up to now is 189.6 secs Computing kpt #: 60 total cpu time spent up to now is 191.7 secs Computing kpt #: 61 total cpu time spent up to now is 194.1 secs Computing kpt #: 62 total cpu time spent up to now is 196.6 secs Computing kpt #: 63 total cpu time spent up to now is 199.0 secs Computing kpt #: 64 total cpu time spent up to now is 201.3 secs Computing kpt #: 65 total cpu time spent up to now is 203.7 secs Computing kpt #: 66 total cpu time spent up to now is 206.0 secs Computing kpt #: 67 total cpu time spent up to now is 208.3 secs Computing kpt #: 68 total cpu time spent up to now is 210.8 secs Computing kpt #: 69 total cpu time spent up to now is 213.1 secs Computing kpt #: 70 total cpu time spent up to now is 215.6 secs Computing kpt #: 71 total cpu time spent up to now is 217.9 secs Computing kpt #: 72 total cpu time spent up to now is 220.4 secs Computing kpt #: 73 total cpu time spent up to now is 222.9 secs Computing kpt #: 74 total cpu time spent up to now is 225.2 secs Computing kpt #: 75 total cpu time spent up to now is 227.7 secs Computing kpt #: 76 total cpu time spent up to now is 230.1 secs Computing kpt #: 77 total cpu time spent up to now is 232.6 secs Computing kpt #: 78 total cpu time spent up to now is 235.3 secs Computing kpt #: 79 total cpu time spent up to now is 237.6 secs Computing kpt #: 80 total cpu time spent up to now is 240.0 secs Computing kpt #: 81 total cpu time spent up to now is 242.4 secs Computing kpt #: 82 total cpu time spent up to now is 244.8 secs Computing kpt #: 83 total cpu time spent up to now is 247.2 secs Computing kpt #: 84 total cpu time spent up to now is 249.6 secs Computing kpt #: 85 total cpu time spent up to now is 252.1 secs Computing kpt #: 86 total cpu time spent up to now is 254.5 secs Computing kpt #: 87 total cpu time spent up to now is 257.2 secs Computing kpt #: 88 total cpu time spent up to now is 259.7 secs Computing kpt #: 89 total cpu time spent up to now is 262.3 secs Computing kpt #: 90 total cpu time spent up to now is 265.3 secs Computing kpt #: 91 total cpu time spent up to now is 268.3 secs Computing kpt #: 92 total cpu time spent up to now is 271.5 secs Computing kpt #: 93 total cpu time spent up to now is 275.3 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 280.3 secs Computing kpt #: 95 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 285.5 secs Computing kpt #: 96 total cpu time spent up to now is 290.7 secs Computing kpt #: 97 total cpu time spent up to now is 294.5 secs Computing kpt #: 98 total cpu time spent up to now is 298.2 secs Computing kpt #: 99 total cpu time spent up to now is 301.9 secs Computing kpt #: 100 total cpu time spent up to now is 304.7 secs Computing kpt #: 101 total cpu time spent up to now is 307.7 secs Computing kpt #: 102 total cpu time spent up to now is 310.9 secs Computing kpt #: 103 total cpu time spent up to now is 313.4 secs Computing kpt #: 104 total cpu time spent up to now is 316.1 secs Computing kpt #: 105 total cpu time spent up to now is 318.7 secs Computing kpt #: 106 total cpu time spent up to now is 321.2 secs Computing kpt #: 107 total cpu time spent up to now is 323.8 secs Computing kpt #: 108 total cpu time spent up to now is 326.3 secs Computing kpt #: 109 total cpu time spent up to now is 328.8 secs Computing kpt #: 110 total cpu time spent up to now is 331.3 secs Computing kpt #: 111 total cpu time spent up to now is 333.8 secs Computing kpt #: 112 total cpu time spent up to now is 336.2 secs Computing kpt #: 113 total cpu time spent up to now is 338.6 secs Computing kpt #: 114 total cpu time spent up to now is 341.1 secs Computing kpt #: 115 total cpu time spent up to now is 343.5 secs Computing kpt #: 116 total cpu time spent up to now is 345.9 secs Computing kpt #: 117 total cpu time spent up to now is 349.2 secs Computing kpt #: 118 total cpu time spent up to now is 351.9 secs Computing kpt #: 119 total cpu time spent up to now is 354.5 secs Computing kpt #: 120 total cpu time spent up to now is 357.0 secs Computing kpt #: 121 total cpu time spent up to now is 359.4 secs Computing kpt #: 122 total cpu time spent up to now is 361.8 secs Computing kpt #: 123 total cpu time spent up to now is 364.3 secs Computing kpt #: 124 total cpu time spent up to now is 366.7 secs Computing kpt #: 125 total cpu time spent up to now is 369.2 secs Computing kpt #: 126 total cpu time spent up to now is 371.7 secs Computing kpt #: 127 total cpu time spent up to now is 374.3 secs Computing kpt #: 128 total cpu time spent up to now is 377.1 secs Computing kpt #: 129 total cpu time spent up to now is 379.7 secs Computing kpt #: 130 total cpu time spent up to now is 382.2 secs Computing kpt #: 131 total cpu time spent up to now is 384.6 secs Computing kpt #: 132 total cpu time spent up to now is 387.0 secs Computing kpt #: 133 total cpu time spent up to now is 389.5 secs Computing kpt #: 134 total cpu time spent up to now is 391.9 secs Computing kpt #: 135 total cpu time spent up to now is 394.4 secs Computing kpt #: 136 total cpu time spent up to now is 396.9 secs Computing kpt #: 137 total cpu time spent up to now is 399.5 secs Computing kpt #: 138 total cpu time spent up to now is 401.9 secs Computing kpt #: 139 total cpu time spent up to now is 404.3 secs Computing kpt #: 140 total cpu time spent up to now is 406.7 secs Computing kpt #: 141 total cpu time spent up to now is 409.1 secs Computing kpt #: 142 total cpu time spent up to now is 411.5 secs Computing kpt #: 143 total cpu time spent up to now is 413.9 secs Computing kpt #: 144 total cpu time spent up to now is 416.3 secs Computing kpt #: 145 total cpu time spent up to now is 418.5 secs Computing kpt #: 146 total cpu time spent up to now is 420.6 secs Computing kpt #: 147 total cpu time spent up to now is 422.8 secs Computing kpt #: 148 total cpu time spent up to now is 425.0 secs Computing kpt #: 149 total cpu time spent up to now is 427.2 secs Computing kpt #: 150 total cpu time spent up to now is 429.5 secs Computing kpt #: 151 total cpu time spent up to now is 431.7 secs Computing kpt #: 152 total cpu time spent up to now is 433.9 secs Computing kpt #: 153 total cpu time spent up to now is 436.1 secs Computing kpt #: 154 total cpu time spent up to now is 438.3 secs Computing kpt #: 155 total cpu time spent up to now is 440.5 secs Computing kpt #: 156 total cpu time spent up to now is 442.6 secs Computing kpt #: 157 total cpu time spent up to now is 444.9 secs Computing kpt #: 158 total cpu time spent up to now is 447.2 secs Computing kpt #: 159 total cpu time spent up to now is 449.4 secs Computing kpt #: 160 total cpu time spent up to now is 451.6 secs Computing kpt #: 161 total cpu time spent up to now is 453.9 secs Computing kpt #: 162 total cpu time spent up to now is 456.1 secs Computing kpt #: 163 total cpu time spent up to now is 458.5 secs Computing kpt #: 164 total cpu time spent up to now is 460.9 secs Computing kpt #: 165 total cpu time spent up to now is 463.3 secs Computing kpt #: 166 total cpu time spent up to now is 465.8 secs Computing kpt #: 167 total cpu time spent up to now is 468.3 secs Computing kpt #: 168 total cpu time spent up to now is 471.0 secs Computing kpt #: 169 total cpu time spent up to now is 474.4 secs Computing kpt #: 170 total cpu time spent up to now is 477.7 secs Computing kpt #: 171 total cpu time spent up to now is 480.9 secs Computing kpt #: 172 total cpu time spent up to now is 483.9 secs Computing kpt #: 173 total cpu time spent up to now is 487.1 secs Computing kpt #: 174 total cpu time spent up to now is 490.2 secs Computing kpt #: 175 total cpu time spent up to now is 493.3 secs Computing kpt #: 176 total cpu time spent up to now is 496.2 secs Computing kpt #: 177 total cpu time spent up to now is 499.7 secs Computing kpt #: 178 total cpu time spent up to now is 502.9 secs Computing kpt #: 179 total cpu time spent up to now is 506.1 secs Computing kpt #: 180 total cpu time spent up to now is 509.2 secs Computing kpt #: 181 total cpu time spent up to now is 512.1 secs Computing kpt #: 182 total cpu time spent up to now is 515.0 secs Computing kpt #: 183 total cpu time spent up to now is 517.8 secs Computing kpt #: 184 total cpu time spent up to now is 520.5 secs Computing kpt #: 185 total cpu time spent up to now is 523.1 secs Computing kpt #: 186 total cpu time spent up to now is 525.5 secs Computing kpt #: 187 total cpu time spent up to now is 528.1 secs Computing kpt #: 188 total cpu time spent up to now is 531.1 secs Computing kpt #: 189 total cpu time spent up to now is 534.0 secs Computing kpt #: 190 total cpu time spent up to now is 536.7 secs Computing kpt #: 191 total cpu time spent up to now is 539.1 secs Computing kpt #: 192 total cpu time spent up to now is 541.6 secs Computing kpt #: 193 total cpu time spent up to now is 544.0 secs Computing kpt #: 194 total cpu time spent up to now is 546.7 secs Computing kpt #: 195 total cpu time spent up to now is 549.3 secs Computing kpt #: 196 total cpu time spent up to now is 552.0 secs Computing kpt #: 197 total cpu time spent up to now is 554.5 secs Computing kpt #: 198 total cpu time spent up to now is 557.0 secs Computing kpt #: 199 total cpu time spent up to now is 559.5 secs Computing kpt #: 200 total cpu time spent up to now is 562.0 secs Computing kpt #: 201 total cpu time spent up to now is 564.5 secs Computing kpt #: 202 total cpu time spent up to now is 566.9 secs Computing kpt #: 203 total cpu time spent up to now is 569.3 secs Computing kpt #: 204 total cpu time spent up to now is 571.8 secs Computing kpt #: 205 total cpu time spent up to now is 574.3 secs Computing kpt #: 206 total cpu time spent up to now is 576.8 secs Computing kpt #: 207 total cpu time spent up to now is 579.2 secs Computing kpt #: 208 total cpu time spent up to now is 581.9 secs Computing kpt #: 209 total cpu time spent up to now is 584.4 secs Computing kpt #: 210 total cpu time spent up to now is 586.9 secs Computing kpt #: 211 total cpu time spent up to now is 589.7 secs Computing kpt #: 212 total cpu time spent up to now is 592.2 secs Computing kpt #: 213 total cpu time spent up to now is 594.8 secs Computing kpt #: 214 total cpu time spent up to now is 597.4 secs Computing kpt #: 215 total cpu time spent up to now is 600.0 secs Computing kpt #: 216 total cpu time spent up to now is 602.6 secs Computing kpt #: 217 total cpu time spent up to now is 605.3 secs Computing kpt #: 218 total cpu time spent up to now is 607.7 secs Computing kpt #: 219 total cpu time spent up to now is 610.2 secs Computing kpt #: 220 total cpu time spent up to now is 614.9 secs Computing kpt #: 221 total cpu time spent up to now is 617.8 secs Computing kpt #: 222 total cpu time spent up to now is 620.5 secs Computing kpt #: 223 total cpu time spent up to now is 623.1 secs Computing kpt #: 224 total cpu time spent up to now is 625.7 secs Computing kpt #: 225 total cpu time spent up to now is 628.5 secs Computing kpt #: 226 total cpu time spent up to now is 631.1 secs Computing kpt #: 227 total cpu time spent up to now is 633.6 secs Computing kpt #: 228 total cpu time spent up to now is 636.2 secs Computing kpt #: 229 total cpu time spent up to now is 638.8 secs Computing kpt #: 230 total cpu time spent up to now is 641.4 secs Computing kpt #: 231 total cpu time spent up to now is 643.9 secs Computing kpt #: 232 total cpu time spent up to now is 646.9 secs Computing kpt #: 233 total cpu time spent up to now is 650.8 secs Computing kpt #: 234 total cpu time spent up to now is 653.9 secs Computing kpt #: 235 total cpu time spent up to now is 656.3 secs Computing kpt #: 236 total cpu time spent up to now is 658.8 secs Computing kpt #: 237 total cpu time spent up to now is 661.2 secs Computing kpt #: 238 total cpu time spent up to now is 663.6 secs Computing kpt #: 239 total cpu time spent up to now is 666.0 secs Computing kpt #: 240 total cpu time spent up to now is 668.4 secs Computing kpt #: 241 total cpu time spent up to now is 671.0 secs Computing kpt #: 242 total cpu time spent up to now is 673.7 secs Computing kpt #: 243 total cpu time spent up to now is 676.2 secs Computing kpt #: 244 total cpu time spent up to now is 678.6 secs Computing kpt #: 245 total cpu time spent up to now is 681.2 secs Computing kpt #: 246 total cpu time spent up to now is 683.6 secs Computing kpt #: 247 total cpu time spent up to now is 686.0 secs Computing kpt #: 248 total cpu time spent up to now is 688.5 secs Computing kpt #: 249 total cpu time spent up to now is 691.0 secs Computing kpt #: 250 total cpu time spent up to now is 693.4 secs Computing kpt #: 251 total cpu time spent up to now is 695.8 secs Computing kpt #: 252 total cpu time spent up to now is 698.3 secs Computing kpt #: 253 total cpu time spent up to now is 700.8 secs Computing kpt #: 254 total cpu time spent up to now is 703.2 secs Computing kpt #: 255 total cpu time spent up to now is 705.6 secs Computing kpt #: 256 total cpu time spent up to now is 708.2 secs Computing kpt #: 257 total cpu time spent up to now is 710.6 secs Computing kpt #: 258 total cpu time spent up to now is 713.2 secs Computing kpt #: 259 total cpu time spent up to now is 716.4 secs Computing kpt #: 260 total cpu time spent up to now is 718.8 secs Computing kpt #: 261 total cpu time spent up to now is 721.2 secs Computing kpt #: 262 total cpu time spent up to now is 723.6 secs Computing kpt #: 263 total cpu time spent up to now is 726.0 secs Computing kpt #: 264 total cpu time spent up to now is 728.8 secs Computing kpt #: 265 total cpu time spent up to now is 731.2 secs Computing kpt #: 266 total cpu time spent up to now is 733.8 secs Computing kpt #: 267 total cpu time spent up to now is 736.4 secs Computing kpt #: 268 total cpu time spent up to now is 738.8 secs Computing kpt #: 269 total cpu time spent up to now is 741.1 secs Computing kpt #: 270 total cpu time spent up to now is 743.7 secs Computing kpt #: 271 total cpu time spent up to now is 746.0 secs Computing kpt #: 272 total cpu time spent up to now is 748.4 secs Computing kpt #: 273 total cpu time spent up to now is 750.8 secs Computing kpt #: 274 total cpu time spent up to now is 753.1 secs Computing kpt #: 275 total cpu time spent up to now is 755.6 secs Computing kpt #: 276 total cpu time spent up to now is 758.0 secs Computing kpt #: 277 total cpu time spent up to now is 760.4 secs Computing kpt #: 278 total cpu time spent up to now is 762.9 secs Computing kpt #: 279 total cpu time spent up to now is 765.3 secs Computing kpt #: 280 total cpu time spent up to now is 767.7 secs Computing kpt #: 281 total cpu time spent up to now is 770.2 secs Computing kpt #: 282 total cpu time spent up to now is 772.6 secs Computing kpt #: 283 total cpu time spent up to now is 775.1 secs Computing kpt #: 284 total cpu time spent up to now is 777.5 secs Computing kpt #: 285 total cpu time spent up to now is 780.1 secs Computing kpt #: 286 total cpu time spent up to now is 782.6 secs Computing kpt #: 287 total cpu time spent up to now is 785.2 secs Computing kpt #: 288 total cpu time spent up to now is 787.8 secs Computing kpt #: 289 total cpu time spent up to now is 790.6 secs Computing kpt #: 290 total cpu time spent up to now is 793.2 secs Computing kpt #: 291 total cpu time spent up to now is 795.8 secs Computing kpt #: 292 total cpu time spent up to now is 798.8 secs Computing kpt #: 293 total cpu time spent up to now is 801.5 secs Computing kpt #: 294 total cpu time spent up to now is 805.2 secs Computing kpt #: 295 total cpu time spent up to now is 808.7 secs Computing kpt #: 296 total cpu time spent up to now is 812.5 secs Computing kpt #: 297 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 817.7 secs Computing kpt #: 298 total cpu time spent up to now is 820.0 secs Computing kpt #: 299 total cpu time spent up to now is 822.3 secs Computing kpt #: 300 total cpu time spent up to now is 824.9 secs Computing kpt #: 301 total cpu time spent up to now is 827.3 secs Computing kpt #: 302 total cpu time spent up to now is 829.9 secs Computing kpt #: 303 total cpu time spent up to now is 832.5 secs Computing kpt #: 304 total cpu time spent up to now is 834.8 secs Computing kpt #: 305 total cpu time spent up to now is 837.1 secs Computing kpt #: 306 total cpu time spent up to now is 839.6 secs Computing kpt #: 307 total cpu time spent up to now is 842.0 secs Computing kpt #: 308 total cpu time spent up to now is 844.3 secs Computing kpt #: 309 total cpu time spent up to now is 846.7 secs Computing kpt #: 310 total cpu time spent up to now is 849.0 secs Computing kpt #: 311 total cpu time spent up to now is 851.4 secs Computing kpt #: 312 total cpu time spent up to now is 854.0 secs Computing kpt #: 313 total cpu time spent up to now is 856.4 secs Computing kpt #: 314 total cpu time spent up to now is 859.0 secs Computing kpt #: 315 total cpu time spent up to now is 861.4 secs Computing kpt #: 316 total cpu time spent up to now is 864.0 secs Computing kpt #: 317 total cpu time spent up to now is 866.4 secs Computing kpt #: 318 total cpu time spent up to now is 868.6 secs Computing kpt #: 319 total cpu time spent up to now is 871.0 secs Computing kpt #: 320 total cpu time spent up to now is 873.4 secs Computing kpt #: 321 total cpu time spent up to now is 875.8 secs Computing kpt #: 322 total cpu time spent up to now is 878.2 secs Computing kpt #: 323 total cpu time spent up to now is 880.7 secs Computing kpt #: 324 total cpu time spent up to now is 883.1 secs Computing kpt #: 325 total cpu time spent up to now is 885.7 secs Computing kpt #: 326 total cpu time spent up to now is 888.1 secs Computing kpt #: 327 total cpu time spent up to now is 890.6 secs Computing kpt #: 328 total cpu time spent up to now is 893.2 secs Computing kpt #: 329 total cpu time spent up to now is 895.6 secs Computing kpt #: 330 total cpu time spent up to now is 898.1 secs Computing kpt #: 331 total cpu time spent up to now is 900.6 secs Computing kpt #: 332 total cpu time spent up to now is 903.1 secs Computing kpt #: 333 total cpu time spent up to now is 905.6 secs Computing kpt #: 334 total cpu time spent up to now is 908.0 secs Computing kpt #: 335 total cpu time spent up to now is 910.4 secs Computing kpt #: 336 total cpu time spent up to now is 912.9 secs Computing kpt #: 337 total cpu time spent up to now is 915.4 secs Computing kpt #: 338 total cpu time spent up to now is 917.8 secs Computing kpt #: 339 total cpu time spent up to now is 920.3 secs Computing kpt #: 340 total cpu time spent up to now is 922.7 secs Computing kpt #: 341 total cpu time spent up to now is 925.2 secs Computing kpt #: 342 total cpu time spent up to now is 927.6 secs Computing kpt #: 343 total cpu time spent up to now is 930.5 secs Computing kpt #: 344 total cpu time spent up to now is 932.9 secs Computing kpt #: 345 total cpu time spent up to now is 935.4 secs Computing kpt #: 346 total cpu time spent up to now is 938.4 secs Computing kpt #: 347 total cpu time spent up to now is 941.5 secs Computing kpt #: 348 total cpu time spent up to now is 944.4 secs Computing kpt #: 349 total cpu time spent up to now is 947.7 secs Computing kpt #: 350 total cpu time spent up to now is 950.9 secs Computing kpt #: 351 total cpu time spent up to now is 954.2 secs Computing kpt #: 352 total cpu time spent up to now is 957.3 secs Computing kpt #: 353 total cpu time spent up to now is 960.4 secs Computing kpt #: 354 total cpu time spent up to now is 963.4 secs Computing kpt #: 355 total cpu time spent up to now is 966.6 secs Computing kpt #: 356 total cpu time spent up to now is 969.6 secs Computing kpt #: 357 total cpu time spent up to now is 972.9 secs Computing kpt #: 358 total cpu time spent up to now is 975.9 secs ethr = 2.27E-11, avg # of iterations = 27.2 total cpu time spent up to now is 976.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4519 PWs) bands (ev): -8.4993 -8.4993 -6.8625 -6.8625 -6.5122 -6.5122 -1.7099 -1.7099 1.2701 1.2701 1.7562 1.7562 1.9021 1.9021 2.0886 2.0886 2.9877 2.9877 3.0634 3.0634 3.0838 3.0838 3.2632 3.2632 4.3498 4.3498 4.3915 4.3915 4.4716 4.4716 4.5609 4.5609 4.6260 4.6260 4.7410 4.7410 5.6044 5.6044 5.8761 5.8761 6.6301 6.6301 6.7707 6.7707 6.9635 6.9635 8.2648 8.2648 10.1062 10.1062 10.3389 10.3389 k =-0.0062 0.0108 0.0173 ( 4517 PWs) bands (ev): -8.4984 -8.4983 -6.8624 -6.8621 -6.5121 -6.5119 -1.7123 -1.7097 1.2702 1.2710 1.7539 1.7594 1.8952 1.9076 2.0803 2.0898 2.9846 2.9894 3.0582 3.0665 3.0818 3.0853 3.2622 3.2629 4.3468 4.3520 4.3905 4.3917 4.4692 4.4748 4.5519 4.5689 4.6227 4.6318 4.7357 4.7447 5.5981 5.6058 5.8798 5.8845 6.6214 6.6347 6.7624 6.7699 6.9543 6.9713 8.2668 8.2733 10.1036 10.1038 10.3388 10.3398 k =-0.0123 0.0217 0.0345 ( 4529 PWs) bands (ev): -8.4955 -8.4955 -6.8618 -6.8612 -6.5116 -6.5112 -1.7169 -1.7118 1.2714 1.2729 1.7523 1.7634 1.8864 1.9122 2.0646 2.0848 2.9802 2.9895 3.0511 3.0672 3.0795 3.0864 3.2598 3.2613 4.3430 4.3534 4.3885 4.3912 4.4674 4.4785 4.5429 4.5746 4.6228 4.6395 4.7289 4.7467 5.5871 5.6026 5.8954 5.9046 6.6073 6.6358 6.7479 6.7583 6.9454 6.9762 8.2790 8.2922 10.0963 10.0970 10.3395 10.3413 k =-0.0185 0.0325 0.0518 ( 4531 PWs) bands (ev): -8.4908 -8.4907 -6.8608 -6.8598 -6.5107 -6.5101 -1.7237 -1.7161 1.2736 1.2759 1.7513 1.7684 1.8750 1.9160 2.0419 2.0751 2.9743 2.9876 3.0429 3.0651 3.0777 3.0874 3.2561 3.2585 4.3388 4.3539 4.3858 4.3901 4.4663 4.4824 4.5347 4.5776 4.6262 4.6482 4.7206 4.7472 5.5717 5.5948 5.9215 5.9347 6.5865 6.6334 6.7306 6.7361 6.9388 6.9786 8.3005 8.3206 10.0845 10.0873 10.3410 10.3430 k =-0.0247 0.0433 0.0690 ( 4523 PWs) bands (ev): -8.4841 -8.4840 -6.8592 -6.8579 -6.5094 -6.5087 -1.7329 -1.7228 1.2769 1.2798 1.7503 1.7742 1.8600 1.9185 2.0132 2.0625 2.9666 2.9825 3.0351 3.0605 3.0768 3.0882 3.2511 3.2544 4.3343 4.3537 4.3824 4.3886 4.4657 4.4857 4.5282 4.5790 4.6316 4.6576 4.7110 4.7462 5.5521 5.5830 5.9556 5.9720 6.5578 6.6260 6.7070 6.7132 6.9357 6.9795 8.3302 8.3573 10.0694 10.0759 10.3429 10.3447 k =-0.0309 0.0541 0.0863 ( 4537 PWs) bands (ev): -8.4755 -8.4754 -6.8573 -6.8557 -6.5078 -6.5069 -1.7443 -1.7318 1.2811 1.2846 1.7486 1.7808 1.8413 1.9181 1.9815 2.0493 2.9567 2.9729 3.0288 3.0542 3.0763 3.0890 3.2448 3.2490 4.3296 4.3527 4.3784 4.3866 4.4654 4.4876 4.5241 4.5795 4.6373 4.6668 4.7004 4.7439 5.5290 5.5676 5.9939 6.0122 6.5217 6.6091 6.6789 6.6972 6.9374 6.9813 8.3668 8.4011 10.0524 10.0640 10.3446 10.3457 k =-0.0370 0.0650 0.1036 ( 4537 PWs) bands (ev): -8.4651 -8.4650 -6.8549 -6.8530 -6.5059 -6.5048 -1.7582 -1.7433 1.2861 1.2901 1.7437 1.7879 1.8204 1.9066 1.9561 2.0372 2.9445 2.9590 3.0249 3.0475 3.0759 3.0897 3.2373 3.2426 4.3250 4.3507 4.3743 4.3845 4.4652 4.4873 4.5231 4.5802 4.6423 4.6744 4.6902 4.7403 5.5028 5.5491 6.0313 6.0496 6.4806 6.5779 6.6601 6.6828 6.9463 6.9873 8.4091 8.4509 10.0349 10.0526 10.3453 10.3455 k =-0.0432 0.0758 0.1208 ( 4540 PWs) bands (ev): -8.4528 -8.4527 -6.8522 -6.8499 -6.5036 -6.5023 -1.7745 -1.7573 1.2920 1.2963 1.7303 1.7944 1.8029 1.8754 1.9478 2.0274 2.9296 2.9413 3.0226 3.0408 3.0756 3.0904 3.2285 3.2350 4.3205 4.3473 4.3706 4.3820 4.4652 4.4850 4.5250 4.5814 4.6457 4.6711 4.6896 4.7359 5.4744 5.5283 6.0612 6.0777 6.4377 6.5371 6.6495 6.6693 6.9656 7.0013 8.4564 8.5055 10.0179 10.0426 10.3437 10.3444 k =-0.0494 0.0866 0.1381 ( 4540 PWs) bands (ev): -8.4387 -8.4385 -6.8491 -6.8465 -6.5010 -6.4996 -1.7933 -1.7740 1.2985 1.3029 1.7038 1.7935 1.7944 1.8412 1.9479 2.0201 2.9122 2.9209 3.0213 3.0345 3.0752 3.0911 3.2185 3.2264 4.3160 4.3420 4.3680 4.3794 4.4651 4.4815 4.5288 4.5832 4.6470 4.6588 4.6969 4.7312 5.4442 5.5056 6.0762 6.0899 6.3968 6.4935 6.6419 6.6559 6.9995 7.0275 8.5082 8.5645 10.0025 10.0346 10.3396 10.3411 k =-0.0556 0.0974 0.1554 ( 4536 PWs) bands (ev): -8.4227 -8.4226 -6.8457 -6.8429 -6.4982 -6.4966 -1.8147 -1.7934 1.3057 1.3097 1.6674 1.7644 1.7933 1.8321 1.9502 2.0148 2.8926 2.8987 3.0204 3.0284 3.0748 3.0917 3.2074 3.2170 4.3115 4.3346 4.3664 4.3765 4.4650 4.4775 4.5334 4.5858 4.6452 4.6456 4.7048 4.7267 5.4130 5.4818 6.0710 6.0828 6.3600 6.4502 6.6347 6.6422 7.0505 7.0692 8.5643 8.6276 9.9892 10.0290 10.3327 10.3351 k =-0.0617 0.1083 0.1726 ( 4540 PWs) bands (ev): -8.4050 -8.4048 -6.8421 -6.8390 -6.4951 -6.4933 -1.8388 -1.8155 1.3133 1.3162 1.6264 1.7183 1.7961 1.8397 1.9529 2.0112 2.8711 2.8750 3.0196 3.0226 3.0744 3.0922 3.1953 3.2068 4.3071 4.3252 4.3658 4.3734 4.4649 4.4734 4.5383 4.5892 4.6314 4.6414 4.7123 4.7227 5.3813 5.4571 6.0452 6.0573 6.3264 6.4071 6.6264 6.6276 7.1186 7.1273 8.6249 8.6948 9.9785 10.0260 10.3226 10.3256 k =-0.0679 0.1191 0.1899 ( 4548 PWs) bands (ev): -8.3854 -8.3853 -6.8384 -6.8350 -6.4919 -6.4899 -1.8654 -1.8404 1.3212 1.3219 1.5845 1.6694 1.8011 1.8511 1.9556 2.0086 2.8480 2.8502 3.0168 3.0186 3.0739 3.0926 3.1823 3.1959 4.3025 4.3144 4.3658 4.3702 4.4649 4.4695 4.5430 4.5932 4.6184 4.6345 4.7193 4.7196 5.3496 5.4321 6.0033 6.0172 6.2922 6.3626 6.6122 6.6163 7.2002 7.2008 8.6909 8.7666 9.9710 10.0259 10.3088 10.3123 k =-0.0741 0.1299 0.2071 ( 4552 PWs) bands (ev): -8.3642 -8.3640 -6.8345 -6.8308 -6.4884 -6.4863 -1.8948 -1.8682 1.3260 1.3292 1.5443 1.6211 1.8075 1.8643 1.9578 2.0066 2.8238 2.8247 3.0109 3.0173 3.0735 3.0929 3.1686 3.1846 4.2978 4.3022 4.3663 4.3669 4.4648 4.4656 4.5465 4.5975 4.6072 4.6257 4.7172 4.7260 5.3183 5.4071 5.9513 5.9673 6.2540 6.3153 6.5957 6.6042 7.2843 7.2927 8.7632 8.8438 9.9667 10.0286 10.2908 10.2945 k =-0.0803 0.1407 0.2244 ( 4552 PWs) bands (ev): -8.3412 -8.3410 -6.8307 -6.8267 -6.4849 -6.4826 -1.9267 -1.8988 1.3272 1.3372 1.5085 1.5746 1.8149 1.8785 1.9594 2.0046 2.7988 2.7988 3.0047 3.0156 3.0730 3.0931 3.1544 3.1730 4.2891 4.2930 4.3633 4.3672 4.4618 4.4649 4.5475 4.5993 4.6001 4.6176 4.7154 4.7323 5.2878 5.3824 5.8937 5.9116 6.2103 6.2644 6.5783 6.5904 7.3751 7.3893 8.8431 8.9274 9.9656 10.0340 10.2680 10.2719 k =-0.0864 0.1516 0.2417 ( 4556 PWs) bands (ev): -8.3166 -8.3164 -6.8269 -6.8227 -6.4812 -6.4789 -1.9611 -1.9321 1.3237 1.3450 1.4794 1.5309 1.8232 1.8936 1.9601 2.0024 2.7728 2.7735 2.9980 3.0133 3.0725 3.0932 3.1398 3.1615 4.2753 4.2878 4.3597 4.3683 4.4580 4.4650 4.5449 4.5943 4.5963 4.6175 4.7139 4.7383 5.2582 5.3582 5.8334 5.8529 6.1611 6.2101 6.5600 6.5749 7.4682 7.4860 8.9319 9.0184 9.9678 10.0420 10.2402 10.2440 k =-0.0926 0.1624 0.2589 ( 4562 PWs) bands (ev): -8.2903 -8.2902 -6.8233 -6.8189 -6.4776 -6.4751 -1.9980 -1.9681 1.3143 1.3524 1.4591 1.4908 1.8321 1.9092 1.9599 1.9996 2.7470 2.7483 2.9907 3.0103 3.0719 3.0932 3.1252 3.1502 4.2612 4.2824 4.3561 4.3694 4.4541 4.4652 4.5388 4.5823 4.5981 4.6237 4.7125 4.7441 5.2297 5.3345 5.7722 5.7931 6.1073 6.1525 6.5406 6.5580 7.5597 7.5790 9.0307 9.1179 9.9730 10.0522 10.2070 10.2105 k =-0.0988 0.1732 0.2762 ( 4558 PWs) bands (ev): -8.2625 -8.2624 -6.8199 -6.8153 -6.4739 -6.4714 -2.0372 -2.0065 1.2993 1.3591 1.4475 1.4546 1.8416 1.9244 1.9593 1.9960 2.7218 2.7235 2.9827 3.0066 3.0713 3.0930 3.1108 3.1393 4.2470 4.2766 4.3526 4.3706 4.4498 4.4656 4.5313 4.5688 4.6031 4.6321 4.7111 4.7498 5.2022 5.3116 5.7114 5.7337 6.0497 6.0922 6.5202 6.5397 7.6465 7.6653 9.1402 9.2266 9.9809 10.0641 10.1684 10.1712 k =-0.1050 0.1840 0.2935 ( 4560 PWs) bands (ev): -8.2331 -8.2331 -6.8169 -6.8121 -6.4704 -6.4677 -2.0784 -2.0473 1.2813 1.3650 1.4229 1.4421 1.8514 1.9358 1.9615 1.9915 2.6974 2.6994 2.9739 3.0020 3.0706 3.0927 3.0970 3.1293 4.2330 4.2705 4.3493 4.3717 4.4450 4.4660 4.5238 4.5552 4.6098 4.6418 4.7096 4.7554 5.1758 5.2892 5.6517 5.6754 5.9893 6.0299 6.4987 6.5200 7.7260 7.7429 9.2602 9.3447 9.9908 10.0768 10.1247 10.1263 k =-0.1111 0.1949 0.3107 ( 4564 PWs) bands (ev): -8.2023 -8.2023 -6.8144 -6.8093 -6.4669 -6.4642 -2.1214 -2.0901 1.2631 1.3697 1.3958 1.4403 1.8609 1.9368 1.9727 1.9863 2.6741 2.6766 2.9642 2.9965 3.0695 3.0842 3.0922 3.1203 4.2196 4.2639 4.3462 4.3725 4.4396 4.4667 4.5173 4.5418 4.6174 4.6524 4.7079 4.7611 5.1503 5.2675 5.5937 5.6190 5.9268 5.9660 6.4762 6.4992 7.7970 7.8107 9.3892 9.4715 10.0016 10.0712 10.0764 10.0951 k =-0.1173 0.2057 0.3280 ( 4570 PWs) bands (ev): -8.1701 -8.1701 -6.8124 -6.8072 -6.4637 -6.4609 -2.1659 -2.1345 1.2468 1.3707 1.3760 1.4399 1.8693 1.9300 1.9812 1.9901 2.6522 2.6552 2.9536 2.9902 3.0667 3.0742 3.0914 3.1127 4.2071 4.2571 4.3434 4.3730 4.4338 4.4674 4.5121 4.5292 4.6257 4.6639 4.7061 4.7670 5.1257 5.2464 5.5379 5.5650 5.8632 5.9013 6.4526 6.4771 7.8585 7.8685 9.5241 9.6052 10.0029 10.0196 10.0319 10.1077 k =-0.1235 0.2165 0.3452 ( 4570 PWs) bands (ev): -8.1366 -8.1365 -6.8111 -6.8058 -6.4607 -6.4578 -2.2116 -2.1804 1.2335 1.3552 1.3762 1.4397 1.8749 1.9192 1.9778 2.0098 2.6318 2.6354 2.9421 2.9830 3.0588 3.0705 3.0900 3.1070 4.1957 4.2499 4.3412 4.3729 4.4276 4.4682 4.5083 4.5175 4.6342 4.6757 4.7047 4.7732 5.1019 5.2258 5.4844 5.5135 5.7989 5.8363 6.4280 6.4538 7.9106 7.9167 9.6584 9.7422 9.9526 9.9646 10.0352 10.1231 k =-0.1297 0.2273 0.3625 ( 4582 PWs) bands (ev): -8.1019 -8.1017 -6.8107 -6.8052 -6.4579 -6.4550 -2.2581 -2.2273 1.2238 1.3425 1.3770 1.4390 1.8754 1.9053 1.9785 2.0307 2.6128 2.6173 2.9296 2.9749 3.0500 3.0691 3.0877 3.1035 4.1856 4.2425 4.3396 4.3720 4.4215 4.4692 4.5059 4.5069 4.6427 4.6861 4.7055 4.7799 5.0788 5.2058 5.4335 5.4648 5.7348 5.7714 6.4023 6.4295 7.9538 7.9561 9.7707 9.8728 9.8896 9.9215 10.0529 10.1426 k =-0.1358 0.2382 0.3798 ( 4582 PWs) bands (ev): -8.0660 -8.0657 -6.8111 -6.8056 -6.4556 -6.4526 -2.3050 -2.2748 1.2179 1.3343 1.3762 1.4375 1.8689 1.8886 1.9849 2.0526 2.5952 2.6009 2.9164 2.9662 3.0426 3.0682 3.0849 3.1021 4.1769 4.2348 4.3388 4.3700 4.4159 4.4702 4.4975 4.5049 4.6510 4.6900 4.7133 4.7872 5.0562 5.1862 5.3855 5.4192 5.6712 5.7072 6.3757 6.4041 7.9876 7.9886 9.7856 9.8181 9.9491 9.9749 10.0969 10.1767 k =-0.1420 0.2490 0.3970 ( 4586 PWs) bands (ev): -8.0289 -8.0286 -6.8126 -6.8070 -6.4537 -6.4507 -2.3519 -2.3225 1.2157 1.3306 1.3741 1.4351 1.8558 1.8695 1.9970 2.0754 2.5787 2.5857 2.9025 2.9569 3.0368 3.0673 3.0819 3.1023 4.1698 4.2269 4.3389 4.3667 4.4114 4.4710 4.4897 4.5048 4.6589 4.6885 4.7271 4.7953 5.0340 5.1671 5.3404 5.3766 5.6087 5.6441 6.3482 6.3777 8.0121 8.0160 9.7290 9.7456 9.9968 10.0076 10.1923 10.2425 k =-0.1482 0.2598 0.4143 ( 4586 PWs) bands (ev): -7.9909 -7.9905 -6.8152 -6.8095 -6.4522 -6.4492 -2.3985 -2.3699 1.2170 1.3309 1.3704 1.4319 1.8377 1.8484 2.0134 2.0988 2.5628 2.5715 2.8885 2.9475 3.0328 3.0666 3.0792 3.1038 4.1644 4.2189 4.3400 4.3622 4.4080 4.4714 4.4837 4.5057 4.6662 4.6851 4.7435 4.8042 5.0122 5.1484 5.2983 5.3372 5.5478 5.5826 6.3198 6.3503 8.0307 8.0368 9.6591 9.6705 10.0069 10.0073 10.2948 10.3307 k =-0.1544 0.2706 0.4316 ( 4590 PWs) bands (ev): -7.9520 -7.9515 -6.8191 -6.8134 -6.4512 -6.4483 -2.4442 -2.4167 1.2214 1.3351 1.3656 1.4282 1.8161 1.8256 2.0330 2.1229 2.5469 2.5577 2.8746 2.9382 3.0305 3.0659 3.0767 3.1064 4.1605 4.2108 4.3422 4.3566 4.4057 4.4704 4.4805 4.5073 4.6727 4.6807 4.7614 4.8140 4.9907 5.1301 5.2594 5.3008 5.4888 5.5231 6.2906 6.3221 8.0440 8.0519 9.5851 9.5939 9.9909 9.9918 10.3773 10.4127 k =-0.1605 0.2815 0.4488 ( 4578 PWs) bands (ev): -7.9123 -7.9116 -6.8243 -6.8186 -6.4509 -6.4479 -2.4887 -2.4624 1.2284 1.3424 1.3598 1.4245 1.7922 1.8018 2.0547 2.1474 2.5306 2.5435 2.8612 2.9294 3.0297 3.0655 3.0744 3.1103 4.1583 4.2028 4.3455 4.3507 4.4042 4.4683 4.4801 4.5095 4.6756 4.6782 4.7804 4.8248 4.9696 5.1124 5.2237 5.2674 5.4320 5.4659 6.2607 6.2931 8.0530 8.0621 9.5091 9.5163 9.9587 9.9646 10.4347 10.4746 k =-0.1667 0.2923 0.4661 ( 4582 PWs) bands (ev): -7.8720 -7.8712 -6.8310 -6.8253 -6.4512 -6.4482 -2.5316 -2.5066 1.2371 1.3489 1.3567 1.4214 1.7670 1.7776 2.0782 2.1724 2.5132 2.5282 2.8490 2.9213 3.0300 3.0656 3.0720 3.1153 4.1575 4.1947 4.3447 4.3499 4.4032 4.4662 4.4810 4.5120 4.6699 4.6826 4.8003 4.8363 4.9489 5.0952 5.1914 5.2368 5.3777 5.4114 6.2301 6.2634 8.0581 8.0680 9.4324 9.4385 9.9153 9.9270 10.4717 10.5162 k =-0.1729 0.3031 0.4833 ( 4578 PWs) bands (ev): -7.8311 -7.8301 -6.8391 -6.8336 -6.4521 -6.4492 -2.5726 -2.5489 1.2467 1.3434 1.3672 1.4196 1.7414 1.7539 2.1028 2.1975 2.4940 2.5110 2.8385 2.9145 3.0311 3.0664 3.0695 3.1214 4.1581 4.1869 4.3392 4.3552 4.4026 4.4654 4.4826 4.5150 4.6637 4.6860 4.8206 4.8482 4.9291 5.0789 5.1626 5.2090 5.3261 5.3599 6.1991 6.2331 8.0599 8.0704 9.3558 9.3611 9.8640 9.8809 10.4955 10.5429 k =-0.1791 0.3139 0.5006 ( 4568 PWs) bands (ev): -7.7898 -7.7887 -6.8489 -6.8434 -6.4538 -6.4510 -2.6111 -2.5889 1.2560 1.3354 1.3811 1.4199 1.7163 1.7317 2.1283 2.2228 2.4727 2.4915 2.8301 2.9091 3.0323 3.0668 3.0683 3.1285 4.1599 4.1792 4.3347 4.3613 4.4021 4.4664 4.4844 4.5183 4.6567 4.6882 4.8402 4.8601 4.9113 5.0637 5.1375 5.1835 5.2776 5.3118 6.1675 6.2023 8.0590 8.0698 9.2799 9.2845 9.8071 9.8283 10.5114 10.5595 k =-0.1852 0.3248 0.5179 ( 4576 PWs) bands (ev): -7.7483 -7.7471 -6.8601 -6.8548 -6.4562 -6.4535 -2.6470 -2.6263 1.2640 1.3271 1.3953 1.4229 1.6928 1.7120 2.1543 2.2479 2.4490 2.4691 2.8241 2.9053 3.0333 3.0638 3.0716 3.1364 4.1626 4.1718 4.3313 4.3676 4.4017 4.4694 4.4863 4.5217 4.6490 4.6893 4.8535 4.8711 4.9010 5.0500 5.1165 5.1601 5.2322 5.2675 6.1357 6.1711 8.0559 8.0666 9.2053 9.2094 9.7467 9.7712 10.5218 10.5690 k =-0.1914 0.3356 0.5351 ( 4584 PWs) bands (ev): -7.7068 -7.7054 -6.8730 -6.8678 -6.4595 -6.4568 -2.6798 -2.6607 1.2698 1.3189 1.4084 1.4284 1.6723 1.6964 2.1806 2.2728 2.4227 2.4439 2.8206 2.9033 3.0337 3.0607 3.0764 3.1449 4.1646 4.1659 4.3294 4.3738 4.4013 4.4751 4.4884 4.5252 4.6407 4.6894 4.8496 4.8802 4.9092 5.0380 5.1000 5.1381 5.1901 5.2276 6.1036 6.1396 8.0508 8.0615 9.1324 9.1363 9.6843 9.7112 10.5279 10.5729 k =-0.1976 0.3464 0.5524 ( 4592 PWs) bands (ev): -7.6654 -7.6639 -6.8874 -6.8824 -6.4636 -6.4610 -2.7094 -2.6920 1.2733 1.3111 1.4184 1.4350 1.6564 1.6864 2.2067 2.2970 2.3942 2.4161 2.8196 2.9029 3.0334 3.0574 3.0825 3.1537 4.1580 4.1693 4.3290 4.3796 4.4011 4.4836 4.4906 4.5288 4.6316 4.6886 4.8343 4.8862 4.9299 5.0279 5.0889 5.1170 5.1518 5.1929 6.0714 6.1079 8.0443 8.0547 9.0618 9.0655 9.6212 9.6498 10.5297 10.5717 k =-0.2038 0.3572 0.5696 ( 4592 PWs) bands (ev): -7.6245 -7.6228 -6.9032 -6.8985 -6.4686 -6.4661 -2.7355 -2.7197 1.2749 1.3041 1.4238 1.4405 1.6474 1.6837 2.2321 2.3205 2.3638 2.3862 2.8207 2.9041 3.0328 3.0540 3.0896 3.1628 4.1518 4.1728 4.3300 4.3846 4.4015 4.4928 4.4950 4.5325 4.6219 4.6871 4.8164 4.8884 4.9544 5.0193 5.0824 5.0961 5.1192 5.1642 6.0393 6.0761 8.0364 8.0466 8.9939 8.9974 9.5583 9.5882 10.5273 10.5658 k =-0.2099 0.3681 0.5869 ( 4596 PWs) bands (ev): -7.5844 -7.5825 -6.9202 -6.9158 -6.4744 -6.4721 -2.7578 -2.7438 1.2754 1.2980 1.4238 1.4421 1.6471 1.6885 2.2552 2.3335 2.3422 2.3556 2.8238 2.9067 3.0319 3.0505 3.0974 3.1718 4.1461 4.1759 4.3318 4.3889 4.4028 4.4952 4.5092 4.5363 4.6117 4.6851 4.7982 4.8863 4.9796 5.0115 5.0708 5.0754 5.1028 5.1419 6.0073 6.0445 8.0277 8.0376 8.9291 8.9326 9.4966 9.5274 10.5206 10.5554 k =-0.2161 0.3789 0.6042 ( 4596 PWs) bands (ev): -7.5453 -7.5433 -6.9382 -6.9341 -6.4812 -6.4790 -2.7762 -2.7639 1.2756 1.2930 1.4186 1.4387 1.6561 1.7002 2.2675 2.3120 2.3218 2.3651 2.8284 2.9103 3.0310 3.0472 3.1055 3.1806 4.1409 4.1788 4.3335 4.3926 4.4059 4.4976 4.5254 4.5404 4.6013 4.6828 4.7806 4.8807 5.0016 5.0040 5.0477 5.0586 5.1086 5.1255 5.9756 6.0130 8.0182 8.0278 8.8678 8.8713 9.4366 9.4680 10.5094 10.5406 k =-0.2223 0.3897 0.6214 ( 4600 PWs) bands (ev): -7.5078 -7.5057 -6.9568 -6.9531 -6.4889 -6.4868 -2.7905 -2.7801 1.2760 1.2893 1.4095 1.4306 1.6728 1.7167 2.2490 2.2903 2.3200 2.3849 2.8343 2.9147 3.0303 3.0441 3.1137 3.1891 4.1364 4.1812 4.3340 4.3957 4.4114 4.5000 4.5421 4.5447 4.5915 4.6804 4.7642 4.8726 4.9949 5.0070 5.0269 5.0597 5.1140 5.1236 5.9444 5.9818 8.0081 8.0175 8.8103 8.8139 9.3789 9.4108 10.4938 10.5216 k =-0.2285 0.4005 0.6387 ( 4598 PWs) bands (ev): -7.4726 -7.4704 -6.9754 -6.9721 -6.4975 -6.4955 -2.8006 -2.7920 1.2771 1.2871 1.3981 1.4197 1.6945 1.7356 2.2179 2.2605 2.3399 2.4032 2.8411 2.9196 3.0300 3.0413 3.1218 3.1970 4.1325 4.1833 4.3325 4.3985 4.4197 4.5024 4.5494 4.5549 4.5859 4.6783 4.7503 4.8629 4.9806 4.9932 5.0152 5.0811 5.1070 5.1433 5.9136 5.9511 7.9977 8.0069 8.7569 8.7608 9.3241 9.3563 10.4739 10.4987 k =-0.2346 0.4114 0.6560 ( 4598 PWs) bands (ev): -7.4406 -7.4383 -6.9932 -6.9904 -6.5070 -6.5051 -2.8065 -2.7998 1.2794 1.2863 1.3857 1.4075 1.7184 1.7542 2.1864 2.2343 2.3608 2.4196 2.8486 2.9248 3.0301 3.0392 3.1297 3.2043 4.1294 4.1853 4.3288 4.4012 4.4302 4.5045 4.5547 4.5550 4.5917 4.6766 4.7403 4.8527 4.9624 4.9753 5.0118 5.0967 5.1150 5.1659 5.8836 5.9210 7.9871 7.9960 8.7081 8.7123 9.2725 9.3049 10.4500 10.4720 k =-0.2408 0.4222 0.6732 ( 4588 PWs) bands (ev): -7.4128 -7.4106 -7.0089 -7.0067 -6.5174 -6.5157 -2.8080 -2.8032 1.2828 1.2868 1.3734 1.3952 1.7413 1.7699 2.1579 2.2137 2.3808 2.4339 2.8566 2.9299 3.0308 3.0378 3.1371 3.2109 4.1270 4.1872 4.3231 4.4039 4.4421 4.5061 4.5471 4.5611 4.6016 4.6755 4.7371 4.8426 4.9443 4.9577 5.0129 5.0960 5.1437 5.1907 5.8544 5.8916 7.9763 7.9851 8.6642 8.6687 9.2246 9.2571 10.4224 10.4420 k =-0.2470 0.4330 0.6905 ( 4596 PWs) bands (ev): -7.3908 -7.3889 -7.0212 -7.0197 -6.5287 -6.5271 -2.8053 -2.8024 1.2875 1.2881 1.3623 1.3839 1.7603 1.7801 2.1354 2.2009 2.3992 2.4460 2.8649 2.9346 3.0322 3.0373 3.1441 3.2167 4.1254 4.1891 4.3161 4.4065 4.4542 4.5061 4.5390 4.5681 4.6064 4.6751 4.7435 4.8336 4.9276 4.9412 5.0169 5.0957 5.1749 5.2167 5.8261 5.8631 7.9654 7.9742 8.6254 8.6304 9.1805 9.2131 10.3913 10.4089 k =-0.2532 0.4438 0.7077 ( 4596 PWs) bands (ev): -7.3764 -7.3748 -7.0281 -7.0276 -6.5408 -6.5394 -2.7982 -2.7972 1.2894 1.2932 1.3536 1.3742 1.7721 1.7831 2.1218 2.1974 2.4157 2.4557 2.8732 2.9390 3.0343 3.0379 3.1507 3.2216 4.1246 4.1910 4.3083 4.4093 4.4655 4.5031 4.5337 4.5756 4.6040 4.6753 4.7599 4.8266 4.9130 4.9260 5.0230 5.0969 5.2067 5.2437 5.7990 5.8356 7.9546 7.9633 8.5922 8.5977 9.1407 9.1733 10.3572 10.3731 k =-0.2593 0.4547 0.7250 ( 4596 PWs) bands (ev): -7.3710 -7.3699 -7.0289 -7.0284 -6.5538 -6.5525 -2.7878 -2.7868 1.2889 1.2993 1.3492 1.3672 1.7744 1.7784 2.1194 2.2039 2.4300 2.4629 2.8816 2.9428 3.0372 3.0397 3.1567 3.2257 4.1247 4.1927 4.3004 4.4121 4.4754 4.4967 4.5323 4.5832 4.5961 4.6758 4.7838 4.8224 4.9008 4.9122 5.0310 5.0997 5.2386 5.2712 5.7731 5.8094 7.9438 7.9526 8.5647 8.5708 9.1053 9.1378 10.3203 10.3348 k =-0.2655 0.4655 0.7423 ( 4592 PWs) bands (ev): -7.3751 -7.3744 -7.0230 -7.0216 -6.5676 -6.5665 -2.7742 -2.7712 1.2852 1.3043 1.3506 1.3642 1.7666 1.7669 2.1287 2.2194 2.4419 2.4677 2.8900 2.9462 3.0407 3.0426 3.1622 3.2289 4.1257 4.1939 4.2933 4.4150 4.4837 4.4887 4.5335 4.5854 4.5902 4.6760 4.8125 4.8219 4.8915 4.8997 5.0406 5.1039 5.2702 5.2989 5.7487 5.7845 7.9331 7.9421 8.5433 8.5500 9.0744 9.1068 10.2810 10.2944 k =-0.2717 0.4763 0.7595 ( 4596 PWs) bands (ev): -7.3880 -7.3878 -7.0107 -7.0083 -6.5821 -6.5811 -2.7564 -2.7516 1.2780 1.3067 1.3577 1.3668 1.7507 1.7507 2.1480 2.2421 2.4513 2.4699 2.8982 2.9493 3.0447 3.0465 3.1672 3.2313 4.1276 4.1941 4.2877 4.4179 4.4805 4.4904 4.5356 4.5736 4.5957 4.6751 4.8250 4.8442 4.8862 4.8885 5.0515 5.1094 5.3014 5.3264 5.7260 5.7612 7.9227 7.9319 8.5283 8.5357 9.0481 9.0804 10.2397 10.2521 k =-0.2779 0.4871 0.7768 ( 4590 PWs) bands (ev): -7.4083 -7.4083 -6.9933 -6.9901 -6.5974 -6.5965 -2.7347 -2.7279 1.2684 1.3056 1.3695 1.3756 1.7296 1.7318 2.1745 2.2702 2.4582 2.4698 2.9063 2.9522 3.0491 3.0511 3.1718 3.2328 4.1305 4.1930 4.2846 4.4206 4.4731 4.4957 4.5378 4.5622 4.5996 4.6728 4.8299 4.8775 4.8787 4.8869 5.0637 5.1160 5.3319 5.3536 5.7051 5.7398 7.9125 7.9221 8.5199 8.5279 9.0264 9.0584 10.1965 10.2081 k =-0.2779 0.4871 0.7768 ( 4590 PWs) bands (ev): -7.4083 -7.4083 -6.9933 -6.9901 -6.5974 -6.5965 -2.7347 -2.7279 1.2684 1.3056 1.3695 1.3756 1.7296 1.7318 2.1745 2.2702 2.4582 2.4698 2.9063 2.9522 3.0491 3.0511 3.1718 3.2328 4.1305 4.1930 4.2846 4.4206 4.4731 4.4957 4.5378 4.5622 4.5996 4.6728 4.8299 4.8775 4.8787 4.8869 5.0637 5.1160 5.3319 5.3536 5.7051 5.7398 7.9125 7.9221 8.5199 8.5279 9.0264 9.0584 10.1965 10.2081 k =-0.2693 0.4722 0.7892 ( 4590 PWs) bands (ev): -7.4083 -7.4082 -6.9932 -6.9901 -6.5972 -6.5964 -2.7351 -2.7283 1.2636 1.3009 1.3687 1.3744 1.7347 1.7368 2.1746 2.2697 2.4579 2.4696 2.9070 2.9521 3.0483 3.0509 3.1715 3.2324 4.1313 4.1932 4.2853 4.4201 4.4730 4.4954 4.5374 4.5628 4.5993 4.6718 4.8308 4.8763 4.8808 4.8880 5.0631 5.1152 5.3307 5.3524 5.7061 5.7409 7.9126 7.9223 8.5233 8.5315 9.0299 9.0619 10.1975 10.2091 k =-0.2608 0.4572 0.8017 ( 4589 PWs) bands (ev): -7.4080 -7.4080 -6.9931 -6.9900 -6.5969 -6.5960 -2.7363 -2.7294 1.2492 1.2864 1.3674 1.3721 1.7486 1.7506 2.1752 2.2687 2.4573 2.4692 2.9089 2.9518 3.0458 3.0503 3.1705 3.2312 4.1338 4.1936 4.2876 4.4185 4.4727 4.4949 4.5367 4.5643 4.5983 4.6692 4.8327 4.8740 4.8860 4.8917 5.0613 5.1130 5.3273 5.3489 5.7089 5.7442 7.9129 7.9228 8.5336 8.5420 9.0405 9.0722 10.2004 10.2122 k =-0.2522 0.4422 0.8141 ( 4583 PWs) bands (ev): -7.4076 -7.4075 -6.9929 -6.9898 -6.5962 -6.5954 -2.7382 -2.7314 1.2264 1.2630 1.3665 1.3708 1.7677 1.7703 2.1772 2.2680 2.4563 2.4684 2.9120 2.9510 3.0417 3.0493 3.1690 3.2293 4.1378 4.1944 4.2913 4.4160 4.4722 4.4938 4.5359 4.5664 4.5967 4.6653 4.8344 4.8703 4.8944 4.8988 5.0586 5.1094 5.3220 5.3435 5.7134 5.7493 7.9135 7.9239 8.5508 8.5595 9.0577 9.0891 10.2054 10.2173 k =-0.2437 0.4272 0.8266 ( 4591 PWs) bands (ev): -7.4070 -7.4070 -6.9926 -6.9895 -6.5954 -6.5946 -2.7409 -2.7341 1.1972 1.2326 1.3670 1.3712 1.7881 1.7922 2.1819 2.2687 2.4549 2.4674 2.9158 2.9497 3.0359 3.0483 3.1670 3.2267 4.1434 4.1954 4.2963 4.4127 4.4712 4.4924 4.5353 4.5687 4.5945 4.6605 4.8343 4.8652 4.9056 4.9098 5.0552 5.1048 5.3153 5.3366 5.7192 5.7558 7.9145 7.9255 8.5748 8.5839 9.0811 9.1120 10.2123 10.2244 k =-0.2351 0.4122 0.8390 ( 4603 PWs) bands (ev): -7.4062 -7.4062 -6.9922 -6.9892 -6.5943 -6.5935 -2.7443 -2.7375 1.1636 1.1977 1.3687 1.3732 1.8056 1.8126 2.1911 2.2726 2.4532 2.4662 2.9202 2.9473 3.0286 3.0472 3.1646 3.2234 4.1502 4.1966 4.3025 4.4089 4.4697 4.4906 4.5353 4.5710 4.5918 4.6553 4.8321 4.8587 4.9190 4.9240 5.0519 5.0996 5.3079 5.3287 5.7257 5.7633 7.9160 7.9277 8.6055 8.6152 9.1101 9.1402 10.2213 10.2337 k =-0.2266 0.3973 0.8515 ( 4605 PWs) bands (ev): -7.4054 -7.4053 -6.9918 -6.9888 -6.5930 -6.5922 -2.7484 -2.7416 1.1275 1.1605 1.3716 1.3765 1.8175 1.8285 2.2062 2.2815 2.4514 2.4648 2.9247 2.9437 3.0198 3.0464 3.1620 3.2195 4.1583 4.1981 4.3098 4.4047 4.4677 4.4886 4.5359 4.5732 4.5888 4.6502 4.8278 4.8508 4.9339 4.9400 5.0500 5.0950 5.3004 5.3204 5.7328 5.7713 7.9181 7.9307 8.6428 8.6531 9.1437 9.1730 10.2324 10.2452 k =-0.2181 0.3823 0.8639 ( 4601 PWs) bands (ev): -7.4044 -7.4043 -6.9913 -6.9883 -6.5914 -6.5906 -2.7532 -2.7464 1.0902 1.1221 1.3756 1.3808 1.8220 1.8377 2.2278 2.2966 2.4496 2.4634 2.9285 2.9385 3.0101 3.0460 3.1591 3.2151 4.1675 4.1997 4.3180 4.4005 4.4651 4.4863 4.5371 4.5753 4.5855 4.6453 4.8218 4.8418 4.9486 4.9547 5.0517 5.0922 5.2933 5.3123 5.7401 5.7795 7.9207 7.9345 8.6866 8.6976 9.1811 9.2094 10.2459 10.2590 k =-0.2095 0.3673 0.8764 ( 4594 PWs) bands (ev): -7.4033 -7.4032 -6.9907 -6.9878 -6.5896 -6.5889 -2.7585 -2.7517 1.0525 1.0836 1.3803 1.3859 1.8187 1.8390 2.2553 2.3184 2.4480 2.4620 2.9307 2.9315 3.0004 3.0463 3.1561 3.2103 4.1775 4.2015 4.3268 4.3963 4.4619 4.4839 4.5388 4.5775 4.5820 4.6409 4.8144 4.8316 4.9610 4.9646 5.0604 5.0935 5.2871 5.3046 5.7473 5.7874 7.9238 7.9389 8.7366 8.7482 9.2214 9.2484 10.2618 10.2754 k =-0.2010 0.3523 0.8888 ( 4594 PWs) bands (ev): -7.4021 -7.4019 -6.9900 -6.9872 -6.5876 -6.5869 -2.7643 -2.7575 1.0153 1.0456 1.3858 1.3917 1.8086 1.8326 2.2870 2.3459 2.4471 2.4611 2.9224 2.9295 2.9924 3.0473 3.1531 3.2051 4.1881 4.2034 4.3360 4.3923 4.4581 4.4814 4.5409 4.5783 4.5798 4.6372 4.8057 4.8205 4.9675 4.9684 5.0779 5.1013 5.2823 5.2977 5.7542 5.7949 7.9273 7.9438 8.7925 8.8048 9.2636 9.2890 10.2806 10.2945 k =-0.1924 0.3373 0.9013 ( 4588 PWs) bands (ev): -7.4009 -7.4007 -6.9893 -6.9866 -6.5855 -6.5848 -2.7705 -2.7638 0.9789 1.0086 1.3920 1.3982 1.7929 1.8196 2.3202 2.3770 2.4482 2.4614 2.9115 2.9228 2.9881 3.0491 3.1502 3.1997 4.1990 4.2054 4.3454 4.3888 4.4539 4.4788 4.5430 4.5745 4.5822 4.6343 4.7962 4.8086 4.9648 4.9696 5.1029 5.1168 5.2791 5.2919 5.7608 5.8018 7.9307 7.9489 8.8539 8.8670 9.3068 9.3303 10.3025 10.3167 k =-0.1839 0.3224 0.9137 ( 4593 PWs) bands (ev): -7.3996 -7.3994 -6.9886 -6.9859 -6.5831 -6.5825 -2.7772 -2.7704 0.9438 0.9728 1.3987 1.4052 1.7730 1.8012 2.3508 2.4072 2.4536 2.4658 2.8987 2.9102 2.9883 3.0517 3.1472 3.1940 4.2075 4.2101 4.3546 4.3859 4.4492 4.4762 4.5449 4.5707 4.5851 4.6323 4.7859 4.7962 4.9587 4.9656 5.1329 5.1389 5.2780 5.2874 5.7671 5.8082 7.9336 7.9536 8.9205 8.9342 9.3501 9.3714 10.3278 10.3423 k =-0.1753 0.3074 0.9262 ( 4591 PWs) bands (ev): -7.3984 -7.3981 -6.9877 -6.9852 -6.5806 -6.5800 -2.7841 -2.7774 0.9102 0.9386 1.4059 1.4127 1.7502 1.7789 2.3731 2.4272 2.4675 2.4821 2.8844 2.8931 2.9918 3.0551 3.1444 3.1883 4.2097 4.2208 4.3634 4.3838 4.4442 4.4736 4.5466 4.5669 4.5886 4.6313 4.7751 4.7835 4.9510 4.9582 5.1651 5.1660 5.2797 5.2843 5.7730 5.8139 7.9356 7.9575 8.9916 9.0060 9.3928 9.4115 10.3571 10.3717 k =-0.1668 0.2924 0.9386 ( 4593 PWs) bands (ev): -7.3971 -7.3968 -6.9869 -6.9845 -6.5779 -6.5774 -2.7912 -2.7845 0.8783 0.9060 1.4135 1.4205 1.7255 1.7538 2.3840 2.4332 2.4919 2.5126 2.8688 2.8731 2.9974 3.0594 3.1416 3.1825 4.2119 4.2310 4.3714 4.3827 4.4391 4.4712 4.5477 4.5632 4.5926 4.6314 4.7639 4.7707 4.9427 4.9491 5.1926 5.2010 5.2831 5.2854 5.7788 5.8190 7.9358 7.9598 9.0666 9.0818 9.4344 9.4501 10.3905 10.4050 k =-0.1582 0.2774 0.9511 ( 4589 PWs) bands (ev): -7.3959 -7.3955 -6.9860 -6.9837 -6.5751 -6.5746 -2.7985 -2.7918 0.8483 0.8754 1.4214 1.4285 1.6996 1.7268 2.3861 2.4329 2.5231 2.5483 2.8514 2.8525 3.0045 3.0645 3.1391 3.1767 4.2142 4.2403 4.3785 4.3827 4.4339 4.4690 4.5483 4.5597 4.5971 4.6325 4.7526 4.7581 4.9345 4.9396 5.2177 5.2354 5.2856 5.2978 5.7844 5.8237 7.9337 7.9597 9.1449 9.1608 9.4748 9.4871 10.4282 10.4425 k =-0.1497 0.2624 0.9636 ( 4588 PWs) bands (ev): -7.3948 -7.3944 -6.9851 -6.9828 -6.5721 -6.5717 -2.8059 -2.7992 0.8202 0.8467 1.4296 1.4365 1.6734 1.6988 2.3831 2.4299 2.5563 2.5842 2.8288 2.8358 3.0129 3.0706 3.1367 3.1709 4.2165 4.2485 4.3838 4.3847 4.4290 4.4669 4.5482 4.5564 4.6017 4.6344 4.7414 4.7458 4.9269 4.9303 5.2366 5.2603 5.3000 5.3198 5.7900 5.8281 7.9285 7.9566 9.2255 9.2422 9.5139 9.5226 10.4700 10.4839 k =-0.1412 0.2475 0.9760 ( 4587 PWs) bands (ev): -7.3938 -7.3933 -6.9841 -6.9820 -6.5691 -6.5687 -2.8132 -2.8065 0.7943 0.8202 1.4378 1.4442 1.6475 1.6705 2.3769 2.4250 2.5889 2.6184 2.8064 2.8194 3.0224 3.0775 3.1346 3.1654 4.2189 4.2552 4.3864 4.3892 4.4243 4.4651 4.5477 4.5535 4.6062 4.6370 4.7302 4.7340 4.9203 4.9220 5.2490 5.2689 5.3331 5.3512 5.7958 5.8322 7.9196 7.9496 9.3073 9.3251 9.5521 9.5568 10.5156 10.5290 k =-0.1326 0.2325 0.9885 ( 4583 PWs) bands (ev): -7.3930 -7.3924 -6.9831 -6.9811 -6.5659 -6.5656 -2.8204 -2.8138 0.7705 0.7958 1.4459 1.4511 1.6230 1.6426 2.3680 2.4180 2.6192 2.6497 2.7849 2.8039 3.0329 3.0854 3.1329 3.1599 4.2214 4.2605 4.3899 4.3927 4.4203 4.4634 4.5466 4.5510 4.6103 4.6401 4.7194 4.7229 4.9151 4.9153 5.2576 5.2718 5.3737 5.3887 5.8019 5.8362 7.9063 7.9381 9.3893 9.4083 9.5898 9.5904 10.5642 10.5771 k =-0.1241 0.2175 1.0009 ( 4581 PWs) bands (ev): -7.3923 -7.3917 -6.9821 -6.9802 -6.5627 -6.5624 -2.8274 -2.8208 0.7490 0.7736 1.4534 1.4564 1.6008 1.6157 2.3565 2.4087 2.6465 2.6772 2.7658 2.7902 3.0443 3.0942 3.1316 3.1547 4.2239 4.2644 4.3938 4.3952 4.4174 4.4619 4.5450 4.5489 4.6138 4.6434 4.7089 4.7125 4.9104 4.9114 5.2645 5.2736 5.4171 5.4300 5.8084 5.8403 7.8884 7.9216 9.4696 9.4902 9.6239 9.6278 10.6150 10.6273 k =-0.1155 0.2025 1.0134 ( 4587 PWs) bands (ev): -7.3918 -7.3912 -6.9811 -6.9792 -6.5594 -6.5592 -2.8342 -2.8276 0.7298 0.7537 1.4586 1.4597 1.5826 1.5910 2.3423 2.3965 2.6701 2.6991 2.7512 2.7791 3.0563 3.1035 3.1311 3.1499 4.2264 4.2671 4.3963 4.3973 4.4163 4.4604 4.5431 4.5471 4.6163 4.6465 4.6987 4.7030 4.9075 4.9094 5.2705 5.2750 5.4620 5.4736 5.8154 5.8445 7.8656 7.9000 9.5460 9.5688 9.6586 9.6671 10.6668 10.6785 k =-0.1070 0.1875 1.0258 ( 4586 PWs) bands (ev): -7.3915 -7.3909 -6.9800 -6.9783 -6.5560 -6.5560 -2.8406 -2.8340 0.7130 0.7361 1.4562 1.4631 1.5699 1.5706 2.3252 2.3808 2.6893 2.7102 2.7471 2.7718 3.0684 3.1131 3.1318 3.1457 4.2291 4.2688 4.3970 4.3985 4.4184 4.4590 4.5408 4.5456 4.6177 4.6493 4.6891 4.6944 4.9067 4.9092 5.2759 5.2761 5.5081 5.5188 5.8231 5.8491 7.8380 7.8731 9.6150 9.6394 9.6973 9.7096 10.7182 10.7292 k =-0.0984 0.1726 1.0383 ( 4582 PWs) bands (ev): -7.3915 -7.3908 -6.9790 -6.9773 -6.5527 -6.5527 -2.8467 -2.8401 0.6985 0.7209 1.4479 1.4615 1.5556 1.5655 2.3051 2.3614 2.7036 2.7086 2.7562 2.7691 3.0794 3.1217 3.1343 3.1432 4.2319 4.2699 4.3971 4.3979 4.4231 4.4577 4.5383 4.5443 4.6180 4.6516 4.6801 4.6867 4.9079 4.9105 5.2770 5.2810 5.5550 5.5652 5.8315 5.8542 7.8060 7.8414 9.6723 9.6927 9.7473 9.7573 10.7676 10.7778 k =-0.0899 0.1576 1.0507 ( 4576 PWs) bands (ev): -7.3917 -7.3911 -6.9779 -6.9762 -6.5494 -6.5493 -2.8523 -2.8457 0.6865 0.7081 1.4346 1.4529 1.5496 1.5672 2.2820 2.3382 2.7043 2.7132 2.7690 2.7713 3.0884 3.1264 3.1394 3.1450 4.2347 4.2704 4.3963 4.3971 4.4290 4.4564 4.5356 4.5432 4.6172 4.6531 4.6720 4.6801 4.9107 4.9131 5.2776 5.2856 5.6024 5.6121 5.8407 5.8599 7.7700 7.8054 9.7161 9.7289 9.8056 9.8093 10.8137 10.8230 k =-0.0813 0.1426 1.0632 ( 4582 PWs) bands (ev): -7.3923 -7.3917 -6.9768 -6.9752 -6.5461 -6.5459 -2.8574 -2.8508 0.6769 0.6977 1.4184 1.4382 1.5512 1.5737 2.2560 2.3114 2.7022 2.7197 2.7770 2.7809 3.0945 3.1257 3.1473 3.1522 4.2377 4.2707 4.3948 4.3966 4.4352 4.4552 4.5328 4.5420 4.6152 4.6531 4.6654 4.6747 4.9148 4.9167 5.2777 5.2898 5.6497 5.6591 5.8506 5.8661 7.7310 7.7658 9.7487 9.7560 9.8601 9.8610 10.8553 10.8632 k =-0.0813 0.1426 1.0632 ( 4582 PWs) bands (ev): -7.3923 -7.3917 -6.9768 -6.9752 -6.5461 -6.5459 -2.8574 -2.8508 0.6769 0.6977 1.4184 1.4382 1.5512 1.5737 2.2560 2.3114 2.7022 2.7197 2.7770 2.7809 3.0945 3.1257 3.1473 3.1522 4.2377 4.2707 4.3948 4.3966 4.4352 4.4552 4.5328 4.5420 4.6152 4.6531 4.6654 4.6747 4.9148 4.9167 5.2777 5.2898 5.6497 5.6591 5.8506 5.8661 7.7310 7.7658 9.7487 9.7560 9.8601 9.8610 10.8553 10.8632 k =-0.0712 0.1248 1.0632 ( 4582 PWs) bands (ev): -7.3835 -7.3829 -6.9788 -6.9774 -6.5395 -6.5393 -2.8736 -2.8679 0.6747 0.6933 1.3942 1.4141 1.5631 1.5877 2.2181 2.2691 2.7061 2.7218 2.7819 2.7855 3.0996 3.1241 3.1592 3.1655 4.2444 4.2712 4.3943 4.3956 4.4403 4.4542 4.5286 4.5398 4.6141 4.6436 4.6609 4.6633 4.9158 4.9160 5.2747 5.2854 5.7008 5.7102 5.8652 5.8788 7.6768 7.7093 9.7523 9.7563 9.8802 9.8827 10.9070 10.9145 k =-0.0610 0.1070 1.0632 ( 4576 PWs) bands (ev): -7.3761 -7.3756 -6.9801 -6.9790 -6.5337 -6.5336 -2.8879 -2.8830 0.6734 0.6899 1.3711 1.3893 1.5799 1.6047 2.1814 2.2277 2.7100 2.7235 2.7860 2.7890 3.1026 3.1219 3.1719 3.1783 4.2505 4.2716 4.3920 4.3956 4.4444 4.4534 4.5248 4.5373 4.6131 4.6351 4.6552 4.6582 4.9157 4.9166 5.2721 5.2814 5.7508 5.7600 5.8784 5.8902 7.6236 7.6532 9.7541 9.7561 9.8984 9.9016 10.9518 10.9586 k =-0.0508 0.0891 1.0632 ( 4576 PWs) bands (ev): -7.3700 -7.3695 -6.9810 -6.9800 -6.5287 -6.5287 -2.9000 -2.8959 0.6730 0.6870 1.3505 1.3662 1.5990 1.6228 2.1469 2.1881 2.7135 2.7249 2.7891 2.7915 3.1044 3.1196 3.1840 3.1897 4.2560 4.2720 4.3897 4.3951 4.4475 4.4530 4.5218 4.5342 4.6119 4.6281 4.6502 4.6562 4.9155 4.9170 5.2700 5.2778 5.7982 5.8070 5.8902 5.8999 7.5734 7.5995 9.7551 9.7558 9.9143 9.9175 10.9889 10.9949 k =-0.0407 0.0713 1.0632 ( 4584 PWs) bands (ev): -7.3651 -7.3647 -6.9814 -6.9807 -6.5247 -6.5246 -2.9100 -2.9067 0.6732 0.6847 1.3332 1.3461 1.6188 1.6406 2.1160 2.1514 2.7168 2.7258 2.7915 2.7933 3.1057 3.1174 3.1946 3.1993 4.2607 4.2723 4.3876 4.3939 4.4498 4.4528 4.5196 4.5309 4.6105 4.6224 4.6476 4.6546 4.9155 4.9172 5.2683 5.2746 5.8413 5.8492 5.9002 5.9079 7.5283 7.5503 9.7556 9.7557 9.9274 9.9303 11.0184 11.0234 k =-0.0305 0.0535 1.0632 ( 4586 PWs) bands (ev): -7.3614 -7.3611 -6.9816 -6.9811 -6.5215 -6.5214 -2.9177 -2.9153 0.6740 0.6828 1.3196 1.3295 1.6379 1.6564 2.0902 2.1188 2.7196 2.7263 2.7932 2.7945 3.1068 3.1153 3.2034 3.2069 4.2645 4.2724 4.3862 4.3922 4.4514 4.4529 4.5183 4.5276 4.6095 4.6180 4.6469 4.6532 4.9156 4.9173 5.2672 5.2719 5.8779 5.8848 5.9085 5.9141 7.4907 7.5079 9.7557 9.7559 9.9378 9.9401 11.0404 11.0443 k =-0.0203 0.0357 1.0632 ( 4592 PWs) bands (ev): -7.3588 -7.3586 -6.9817 -6.9813 -6.5192 -6.5191 -2.9232 -2.9216 0.6751 0.6811 1.3102 1.3168 1.6547 1.6684 2.0715 2.0919 2.7219 2.7264 2.7944 2.7952 3.1078 3.1134 3.2099 3.2123 4.2675 4.2723 4.3856 4.3902 4.4525 4.4531 4.5178 4.5244 4.6090 4.6145 4.6473 4.6520 4.9159 4.9171 5.2666 5.2697 5.9057 5.9116 5.9155 5.9183 7.4628 7.4746 9.7558 9.7560 9.9453 9.9470 11.0557 11.0584 k =-0.0102 0.0178 1.0632 ( 4590 PWs) bands (ev): -7.3573 -7.3572 -6.9816 -6.9814 -6.5178 -6.5178 -2.9263 -2.9255 0.6765 0.6795 1.3051 1.3085 1.6676 1.6749 2.0617 2.0723 2.7238 2.7260 2.7952 2.7956 3.1090 3.1117 3.2141 3.2153 4.2697 4.2720 4.3857 4.3883 4.4531 4.4534 4.5183 4.5217 4.6092 4.6120 4.6482 4.6507 4.9162 4.9169 5.2665 5.2681 5.9175 5.9202 5.9265 5.9282 7.4464 7.4524 9.7559 9.7561 9.9500 9.9509 11.0649 11.0662 k = 0.0000 0.0000 1.0632 ( 4590 PWs) bands (ev): -7.3567 -7.3567 -6.9815 -6.9815 -6.5173 -6.5173 -2.9271 -2.9271 0.6779 0.6779 1.3045 1.3045 1.6746 1.6746 2.0619 2.0619 2.7252 2.7252 2.7956 2.7956 3.1103 3.1103 3.2159 3.2159 4.2712 4.2712 4.3867 4.3867 4.4534 4.4534 4.5196 4.5196 4.6102 4.6102 4.6494 4.6494 4.9165 4.9165 5.2670 5.2670 5.9201 5.9201 5.9331 5.9331 7.4428 7.4428 9.7560 9.7560 9.9519 9.9519 11.0683 11.0683 k = 0.0000 0.0000 1.0632 ( 4590 PWs) bands (ev): -7.3567 -7.3567 -6.9815 -6.9815 -6.5173 -6.5173 -2.9271 -2.9271 0.6779 0.6779 1.3045 1.3045 1.6746 1.6746 2.0619 2.0619 2.7252 2.7252 2.7956 2.7956 3.1103 3.1103 3.2159 3.2159 4.2712 4.2712 4.3867 4.3867 4.4534 4.4534 4.5196 4.5196 4.6102 4.6102 4.6494 4.6494 4.9165 4.9165 5.2670 5.2670 5.9201 5.9201 5.9331 5.9331 7.4428 7.4428 9.7560 9.7560 9.9519 9.9519 11.0683 11.0683 k = 0.0179 0.0102 1.0632 ( 4592 PWs) bands (ev): -7.3567 -7.3566 -6.9818 -6.9816 -6.5174 -6.5170 -2.9273 -2.9269 0.6773 0.6787 1.2996 1.3038 1.6746 1.6805 2.0606 2.0684 2.7103 2.7324 2.7851 2.8096 3.1089 3.1095 3.2150 3.2175 4.2665 4.2749 4.3792 4.3935 4.4476 4.4593 4.5149 4.5248 4.6012 4.6204 4.6390 4.6622 4.9120 4.9215 5.2656 5.2703 5.9118 5.9159 5.9316 5.9345 7.4452 7.4518 9.7478 9.7624 9.9454 9.9593 11.0687 11.0718 k = 0.0357 0.0204 1.0632 ( 4590 PWs) bands (ev): -7.3565 -7.3562 -6.9826 -6.9822 -6.5172 -6.5163 -2.9275 -2.9269 0.6769 0.6795 1.2895 1.2973 1.6805 1.6915 2.0643 2.0799 2.6914 2.7270 2.7834 2.8235 3.1056 3.1068 3.2145 3.2194 4.2612 4.2776 4.3716 4.3988 4.4421 4.4649 4.5110 4.5301 4.5935 4.6269 4.6367 4.6767 4.9082 4.9269 5.2660 5.2753 5.8938 5.8992 5.9292 5.9347 7.4587 7.4716 9.7380 9.7665 9.9401 9.9674 11.0730 11.0792 k = 0.0536 0.0306 1.0632 ( 4590 PWs) bands (ev): -7.3562 -7.3558 -6.9837 -6.9831 -6.5167 -6.5154 -2.9279 -2.9269 0.6766 0.6805 1.2753 1.2859 1.6917 1.7067 2.0725 2.0960 2.6700 2.7116 2.7881 2.8359 3.1004 3.1022 3.2147 3.2217 4.2554 4.2790 4.3646 4.4023 4.4371 4.4701 4.5080 4.5346 4.5871 4.6222 4.6503 4.6921 4.9056 4.9327 5.2681 5.2816 5.8667 5.8732 5.9246 5.9339 7.4821 7.5009 9.7268 9.7679 9.9366 9.9760 11.0812 11.0903 k = 0.0714 0.0407 1.0632 ( 4586 PWs) bands (ev): -7.3557 -7.3552 -6.9851 -6.9843 -6.5160 -6.5143 -2.9282 -2.9270 0.6765 0.6817 1.2585 1.2709 1.7073 1.7251 2.0846 2.1160 2.6471 2.6921 2.7937 2.8461 3.0935 3.0962 3.2154 3.2242 4.2495 4.2790 4.3586 4.4039 4.4327 4.4743 4.5062 4.5380 4.5823 4.6181 4.6681 4.7076 4.9046 4.9392 5.2717 5.2888 5.8318 5.8396 5.9186 5.9319 7.5135 7.5376 9.7146 9.7662 9.9353 9.9850 11.0934 11.1052 k = 0.0893 0.0509 1.0632 ( 4588 PWs) bands (ev): -7.3551 -7.3545 -6.9868 -6.9858 -6.5151 -6.5130 -2.9287 -2.9271 0.6765 0.6830 1.2401 1.2535 1.7262 1.7455 2.0994 2.1389 2.6233 2.6716 2.7976 2.8537 3.0855 3.0891 3.2164 3.2268 4.2438 4.2777 4.3539 4.4037 4.4288 4.4771 4.5057 4.5397 4.5792 4.6153 4.6886 4.7224 4.9058 4.9472 5.2761 5.2963 5.7911 5.8006 5.9114 5.9289 7.5509 7.5796 9.7015 9.7613 9.9362 9.9943 11.1094 11.1238 k = 0.1071 0.0611 1.0632 ( 4586 PWs) bands (ev): -7.3544 -7.3537 -6.9887 -6.9876 -6.5141 -6.5116 -2.9291 -2.9273 0.6768 0.6844 1.2211 1.2351 1.7474 1.7675 2.1159 2.1634 2.5997 2.6517 2.7990 2.8586 3.0768 3.0814 3.2177 3.2294 4.2385 4.2752 4.3507 4.4022 4.4253 4.4784 4.5066 4.5400 4.5777 4.6137 4.7106 4.7359 4.9098 4.9573 5.2806 5.3036 5.7467 5.7584 5.9034 5.9251 7.5918 7.6246 9.6879 9.7535 9.9393 10.0038 11.1291 11.1458 k = 0.1250 0.0713 1.0632 ( 4588 PWs) bands (ev): -7.3537 -7.3529 -6.9906 -6.9894 -6.5130 -6.5102 -2.9295 -2.9275 0.6771 0.6859 1.2026 1.2166 1.7700 1.7902 2.1326 2.1880 2.5774 2.6334 2.7974 2.8604 3.0680 3.0734 3.2190 3.2318 4.2339 4.2717 4.3486 4.4002 4.4220 4.4783 4.5084 4.5394 4.5776 4.6126 4.7318 4.7485 4.9173 4.9703 5.2840 5.3096 5.7006 5.7155 5.8948 5.9206 7.6340 7.6703 9.6742 9.7435 9.9441 10.0133 11.1526 11.1711 k = 0.1429 0.0815 1.0632 ( 4592 PWs) bands (ev): -7.3530 -7.3521 -6.9925 -6.9912 -6.5119 -6.5088 -2.9300 -2.9277 0.6776 0.6874 1.1850 1.1990 1.7931 1.8130 2.1483 2.2108 2.5581 2.6178 2.7928 2.8594 3.0598 3.0656 3.2204 3.2340 4.2301 4.2676 4.3475 4.3979 4.4188 4.4774 4.5105 4.5384 4.5784 4.6117 4.7471 4.7634 4.9289 4.9868 5.2849 5.3134 5.6552 5.6745 5.8859 5.9159 7.6755 7.7146 9.6607 9.7321 9.9500 10.0225 11.1795 11.1995 k = 0.1607 0.0917 1.0632 ( 4596 PWs) bands (ev): -7.3522 -7.3513 -6.9944 -6.9929 -6.5108 -6.5075 -2.9304 -2.9279 0.6782 0.6889 1.1692 1.1829 1.8157 1.8352 2.1617 2.2298 2.5434 2.6056 2.7854 2.8558 3.0525 3.0585 3.2217 3.2360 4.2271 4.2631 4.3471 4.3958 4.4157 4.4761 4.5125 4.5373 4.5801 4.6109 4.7549 4.7806 4.9451 5.0067 5.2818 5.3137 5.6129 5.6379 5.8772 5.9111 7.7142 7.7557 9.6480 9.7202 9.9562 10.0311 11.2097 11.2307 k = 0.1786 0.1019 1.0632 ( 4592 PWs) bands (ev): -7.3516 -7.3506 -6.9960 -6.9945 -6.5099 -6.5063 -2.9307 -2.9281 0.6788 0.6904 1.1555 1.1690 1.8369 1.8559 2.1722 2.2431 2.5348 2.5972 2.7757 2.8501 3.0468 3.0522 3.2229 3.2377 4.2251 4.2588 4.3472 4.3941 4.4127 4.4749 4.5142 4.5363 4.5823 4.6098 4.7593 4.7954 4.9662 5.0291 5.2737 5.3094 5.5759 5.6078 5.8691 5.9066 7.7485 7.7919 9.6367 9.7088 9.9623 10.0389 11.2428 11.2644 k = 0.1964 0.1120 1.0632 ( 4590 PWs) bands (ev): -7.3511 -7.3500 -6.9974 -6.9958 -6.5091 -6.5053 -2.9310 -2.9282 0.6794 0.6916 1.1445 1.1576 1.8555 1.8741 2.1796 2.2502 2.5326 2.5923 2.7649 2.8434 3.0425 3.0471 3.2238 3.2391 4.2238 4.2548 4.3475 4.3928 4.4101 4.4737 4.5155 4.5356 4.5847 4.6085 4.7618 4.8062 4.9911 5.0520 5.2606 5.2998 5.5467 5.5854 5.8621 5.9028 7.7769 7.8216 9.6272 9.6989 9.9677 10.0453 11.2784 11.3003 k = 0.2143 0.1222 1.0632 ( 4594 PWs) bands (ev): -7.3507 -7.3496 -6.9984 -6.9968 -6.5085 -6.5046 -2.9312 -2.9284 0.6799 0.6926 1.1363 1.1493 1.8702 1.8883 2.1841 2.2522 2.5350 2.5901 2.7546 2.8371 3.0398 3.0431 3.2245 3.2400 4.2232 4.2516 4.3479 4.3919 4.4079 4.4729 4.5164 4.5351 4.5871 4.6071 4.7632 4.8131 5.0175 5.0721 5.2456 5.2858 5.5263 5.5708 5.8566 5.8997 7.7980 7.8437 9.6201 9.6911 9.9718 10.0502 11.3155 11.3379 k = 0.2321 0.1324 1.0632 ( 4598 PWs) bands (ev): -7.3504 -7.3493 -6.9990 -6.9974 -6.5081 -6.5042 -2.9313 -2.9284 0.6802 0.6932 1.1313 1.1442 1.8798 1.8975 2.1866 2.2517 2.5388 2.5893 2.7471 2.8326 3.0386 3.0404 3.2250 3.2406 4.2230 4.2494 4.3482 4.3915 4.4065 4.4723 4.5169 4.5347 4.5889 4.6059 4.7639 4.8170 5.0402 5.0849 5.2339 5.2715 5.5147 5.5628 5.8531 5.8978 7.8111 7.8573 9.6157 9.6861 9.9744 10.0532 11.3520 11.3770 k = 0.2500 0.1426 1.0632 ( 4604 PWs) bands (ev): -7.3503 -7.3492 -6.9992 -6.9976 -6.5080 -6.5040 -2.9314 -2.9285 0.6803 0.6934 1.1296 1.1425 1.8831 1.9007 2.1873 2.2512 2.5405 2.5892 2.7442 2.8309 3.0384 3.0392 3.2251 3.2408 4.2229 4.2486 4.3483 4.3913 4.4059 4.4721 4.5170 4.5346 4.5896 4.6054 4.7641 4.8182 5.0503 5.0883 5.2300 5.2649 5.5109 5.5602 5.8519 5.8971 7.8155 7.8620 9.6142 9.6844 9.9753 10.0543 11.3738 11.4160 k = 0.2500 0.1426 1.0632 ( 4604 PWs) bands (ev): -7.3503 -7.3492 -6.9992 -6.9976 -6.5080 -6.5040 -2.9314 -2.9285 0.6803 0.6934 1.1296 1.1425 1.8831 1.9007 2.1873 2.2512 2.5405 2.5892 2.7442 2.8309 3.0384 3.0392 3.2251 3.2408 4.2229 4.2486 4.3483 4.3913 4.4059 4.4721 4.5170 4.5346 4.5896 4.6054 4.7641 4.8182 5.0503 5.0883 5.2300 5.2649 5.5109 5.5602 5.8519 5.8971 7.8155 7.8620 9.6142 9.6844 9.9753 10.0543 11.3738 11.4160 k = 0.2414 0.1577 1.0506 ( 4600 PWs) bands (ev): -7.3504 -7.3493 -6.9994 -6.9977 -6.5080 -6.5041 -2.9310 -2.9281 0.6818 0.6950 1.1291 1.1416 1.8847 1.9017 2.1878 2.2515 2.5414 2.5900 2.7423 2.8280 3.0404 3.0405 3.2244 3.2400 4.2231 4.2487 4.3477 4.3916 4.4063 4.4721 4.5168 4.5346 4.5897 4.6058 4.7634 4.8173 5.0508 5.0889 5.2286 5.2623 5.5131 5.5616 5.8496 5.8948 7.8163 7.8624 9.6094 9.6777 9.9770 10.0539 11.3702 11.4120 k = 0.2328 0.1728 1.0380 ( 4600 PWs) bands (ev): -7.3506 -7.3495 -6.9998 -6.9982 -6.5081 -6.5042 -2.9299 -2.9270 0.6865 0.6995 1.1276 1.1393 1.8894 1.9049 2.1891 2.2524 2.5442 2.5925 2.7365 2.8195 3.0441 3.0460 3.2222 3.2375 4.2236 4.2490 4.3462 4.3925 4.4072 4.4717 4.5159 4.5345 4.5900 4.6068 4.7613 4.8147 5.0523 5.0907 5.2245 5.2551 5.5192 5.5655 5.8426 5.8877 7.8185 7.8639 9.5958 9.6591 9.9803 10.0519 11.3598 11.3999 k = 0.2241 0.1879 1.0255 ( 4598 PWs) bands (ev): -7.3509 -7.3498 -7.0005 -6.9989 -6.5083 -6.5044 -2.9281 -2.9251 0.6941 0.7071 1.1253 1.1356 1.8970 1.9099 2.1913 2.2538 2.5486 2.5966 2.7274 2.8062 3.0498 3.0544 3.2185 3.2333 4.2245 4.2495 4.3436 4.3940 4.4087 4.4712 4.5144 4.5345 4.5904 4.6086 4.7578 4.8103 5.0549 5.0937 5.2180 5.2440 5.5283 5.5716 5.8311 5.8761 7.8223 7.8663 9.5751 9.6318 9.9812 10.0458 11.3427 11.3800 k = 0.2155 0.2031 1.0129 ( 4598 PWs) bands (ev): -7.3514 -7.3503 -7.0014 -6.9998 -6.5086 -6.5048 -2.9255 -2.9226 0.7049 0.7176 1.1222 1.1307 1.9072 1.9166 2.1942 2.2558 2.5546 2.6025 2.7156 2.7892 3.0571 3.0646 3.2133 3.2275 4.2257 4.2502 4.3402 4.3959 4.4106 4.4707 4.5124 4.5344 4.5909 4.6109 4.7531 4.8043 5.0583 5.0977 5.2099 5.2304 5.5393 5.5792 5.8152 5.8600 7.8276 7.8698 9.5493 9.5992 9.9754 10.0326 11.3192 11.3527 k = 0.2069 0.2182 1.0003 ( 4596 PWs) bands (ev): -7.3520 -7.3509 -7.0026 -7.0010 -6.5090 -6.5052 -2.9223 -2.9194 0.7186 0.7311 1.1185 1.1249 1.9196 1.9247 2.1980 2.2582 2.5619 2.6100 2.7017 2.7692 3.0655 3.0758 3.2069 3.2201 4.2271 4.2511 4.3360 4.3983 4.4127 4.4701 4.5097 4.5345 4.5915 4.6140 4.7475 4.7968 5.0626 5.1027 5.2008 5.2152 5.5511 5.5877 5.7951 5.8395 7.8345 7.8745 9.5205 9.5638 9.9599 10.0098 11.2893 11.3189 k = 0.1983 0.2333 0.9878 ( 4592 PWs) bands (ev): -7.3527 -7.3516 -7.0040 -7.0025 -6.5094 -6.5056 -2.9184 -2.9155 0.7353 0.7475 1.1145 1.1186 1.9337 1.9340 2.2024 2.2609 2.5697 2.6192 2.6871 2.7469 3.0745 3.0872 3.1992 3.2114 4.2289 4.2523 4.3312 4.4010 4.4148 4.4697 4.5064 4.5347 4.5921 4.6176 4.7410 4.7881 5.0674 5.1084 5.1915 5.1995 5.5629 5.5963 5.7710 5.8151 7.8430 7.8804 9.4900 9.5270 9.9333 9.9761 11.2528 11.2788 k = 0.1897 0.2484 0.9752 ( 4580 PWs) bands (ev): -7.3535 -7.3525 -7.0056 -7.0041 -6.5099 -6.5062 -2.9140 -2.9111 0.7548 0.7667 1.1104 1.1120 1.9441 1.9491 2.2073 2.2638 2.5766 2.6301 2.6735 2.7230 3.0836 3.0982 3.1904 3.2016 4.2309 4.2536 4.3258 4.4039 4.4168 4.4696 4.5025 4.5350 4.5927 4.6219 4.7342 4.7783 5.0725 5.1145 5.1827 5.1842 5.5737 5.6045 5.7434 5.7869 7.8532 7.8875 9.4589 9.4896 9.8961 9.9318 11.2095 11.2324 k = 0.1810 0.2635 0.9627 ( 4570 PWs) bands (ev): -7.3544 -7.3534 -7.0074 -7.0060 -6.5104 -6.5068 -2.9090 -2.9061 0.7773 0.7887 1.1053 1.1063 1.9546 1.9652 2.2127 2.2667 2.5796 2.6422 2.6644 2.6982 3.0922 3.1081 3.1810 3.1911 4.2331 4.2550 4.3199 4.4067 4.4183 4.4700 4.4979 4.5354 4.5934 4.6267 4.7272 4.7679 5.0776 5.1201 5.1707 5.1751 5.5830 5.6116 5.7128 5.7555 7.8649 7.8959 9.4271 9.4514 9.8502 9.8788 11.1588 11.1794 k = 0.1724 0.2786 0.9501 ( 4572 PWs) bands (ev): -7.3554 -7.3544 -7.0094 -7.0080 -6.5110 -6.5075 -2.9035 -2.9007 0.8024 0.8134 1.0990 1.1025 1.9653 1.9816 2.2184 2.2695 2.5749 2.6524 2.6638 2.6759 3.0996 3.1156 3.1714 3.1811 4.2353 4.2566 4.3136 4.4090 4.4192 4.4710 4.4928 4.5360 4.5941 4.6319 4.7205 4.7572 5.0821 5.1231 5.1611 5.1692 5.5899 5.6168 5.6800 5.7216 7.8782 7.9056 9.3943 9.4115 9.7992 9.8200 11.1006 11.1197 k = 0.1638 0.2937 0.9375 ( 4574 PWs) bands (ev): -7.3565 -7.3555 -7.0116 -7.0102 -6.5117 -6.5083 -2.8977 -2.8949 0.8303 0.8407 1.0933 1.0991 1.9758 1.9978 2.2242 2.2717 2.5621 2.6384 2.6723 2.6785 3.1043 3.1186 3.1631 3.1736 4.2375 4.2582 4.3071 4.4104 4.4194 4.4729 4.4873 4.5366 4.5949 4.6374 4.7145 4.7465 5.0854 5.1204 5.1589 5.1659 5.5922 5.6188 5.6476 5.6867 7.8928 7.9165 9.3590 9.3681 9.7472 9.7595 11.0358 11.0538 k = 0.1552 0.3088 0.9250 ( 4574 PWs) bands (ev): -7.3577 -7.3567 -7.0139 -7.0125 -6.5123 -6.5091 -2.8915 -2.8888 0.8607 0.8704 1.0883 1.0963 1.9861 2.0134 2.2297 2.2731 2.5443 2.6117 2.6869 2.6947 3.1045 3.1145 3.1580 3.1714 4.2395 4.2599 4.3005 4.4103 4.4189 4.4756 4.4818 4.5373 4.5961 4.6431 4.7094 4.7365 5.0871 5.1126 5.1633 5.1656 5.5813 5.6124 5.6242 5.6563 7.9086 7.9284 9.3188 9.3193 9.6989 9.7021 10.9665 10.9834 k = 0.1466 0.3240 0.9124 ( 4572 PWs) bands (ev): -7.3589 -7.3579 -7.0162 -7.0149 -6.5130 -6.5099 -2.8851 -2.8824 0.8936 0.9024 1.0843 1.0943 1.9958 2.0282 2.2347 2.2731 2.5245 2.5836 2.7051 2.7134 3.0986 3.1038 3.1576 3.1741 4.2408 4.2617 4.2943 4.4080 4.4178 4.4770 4.4791 4.5381 4.5979 4.6487 4.7056 4.7275 5.0873 5.1034 5.1681 5.1707 5.5509 5.5867 5.6169 5.6417 7.9252 7.9412 9.2631 9.2713 9.6524 9.6581 10.8952 10.9108 k = 0.1379 0.3391 0.8999 ( 4580 PWs) bands (ev): -7.3601 -7.3592 -7.0186 -7.0174 -6.5138 -6.5107 -2.8785 -2.8758 0.9288 0.9365 1.0815 1.0930 2.0048 2.0418 2.2388 2.2709 2.5045 2.5553 2.7253 2.7334 3.0880 3.0891 3.1608 3.1794 4.2410 4.2634 4.2890 4.4028 4.4161 4.4733 4.4832 4.5387 4.6006 4.6538 4.7029 4.7203 5.0863 5.0947 5.1729 5.1790 5.5129 5.5485 5.6142 5.6366 7.9424 7.9546 9.1993 9.2147 9.6139 9.6271 10.8243 10.8382 k = 0.1293 0.3542 0.8873 ( 4598 PWs) bands (ev): -7.3613 -7.3605 -7.0211 -7.0199 -6.5145 -6.5116 -2.8717 -2.8692 0.9662 0.9723 1.0801 1.0925 2.0132 2.0541 2.2412 2.2658 2.4856 2.5275 2.7465 2.7541 3.0724 3.0747 3.1658 3.1855 4.2394 4.2649 4.2853 4.3947 4.4142 4.4709 4.4876 4.5392 4.6043 4.6578 4.7015 4.7158 5.0847 5.0871 5.1790 5.1870 5.4733 5.5070 5.6112 5.6323 7.9599 7.9683 9.1288 9.1493 9.5876 9.6062 10.7559 10.7679 k = 0.1207 0.3693 0.8747 ( 4594 PWs) bands (ev): -7.3626 -7.3618 -7.0236 -7.0225 -6.5152 -6.5125 -2.8650 -2.8625 1.0055 1.0089 1.0811 1.0930 2.0207 2.0648 2.2412 2.2568 2.4691 2.5013 2.7680 2.7748 3.0551 3.0603 3.1715 3.1916 4.2356 4.2663 4.2837 4.3842 4.4122 4.4697 4.4923 4.5396 4.6092 4.6602 4.7013 4.7146 5.0810 5.0833 5.1855 5.1940 5.4345 5.4652 5.6066 5.6271 7.9770 7.9819 9.0539 9.0773 9.5724 9.5943 10.6916 10.7015 k = 0.1121 0.3844 0.8622 ( 4598 PWs) bands (ev): -7.3638 -7.3631 -7.0260 -7.0250 -6.5159 -6.5134 -2.8583 -2.8559 1.0428 1.0463 1.0877 1.0947 2.0275 2.0738 2.2377 2.2432 2.4558 2.4775 2.7888 2.7950 3.0381 3.0459 3.1772 3.1974 4.2298 4.2672 4.2842 4.3720 4.4104 4.4693 4.4971 4.5397 4.6152 4.6606 4.7020 4.7171 5.0764 5.0822 5.1912 5.1986 5.3983 5.4247 5.6003 5.6202 7.9936 7.9952 8.9767 9.0015 9.5666 9.5900 10.6325 10.6403 k = 0.1034 0.3995 0.8496 ( 4598 PWs) bands (ev): -7.3650 -7.3643 -7.0284 -7.0274 -6.5166 -6.5142 -2.8518 -2.8495 1.0635 1.0840 1.1019 1.1103 2.0335 2.0809 2.2246 2.2296 2.4460 2.4573 2.8082 2.8135 3.0225 3.0325 3.1828 3.2027 4.2227 4.2674 4.2862 4.3591 4.4087 4.4692 4.5017 4.5397 4.6222 4.6599 4.7038 4.7225 5.0733 5.0816 5.1946 5.1993 5.3669 5.3876 5.5922 5.6118 8.0077 8.0090 8.8993 8.9243 9.5679 9.5918 10.5796 10.5854 k = 0.0948 0.4146 0.8371 ( 4600 PWs) bands (ev): -7.3662 -7.3656 -7.0307 -7.0298 -6.5173 -6.5151 -2.8454 -2.8433 1.0714 1.0952 1.1379 1.1481 2.0388 2.0858 2.2013 2.2163 2.4396 2.4417 2.8249 2.8292 3.0095 3.0210 3.1880 3.2075 4.2149 4.2665 4.2892 4.3466 4.4074 4.4691 4.5060 4.5395 4.6298 4.6589 4.7064 4.7302 5.0714 5.0814 5.1934 5.1939 5.3433 5.3564 5.5826 5.6017 8.0192 8.0230 8.8236 8.8479 9.5748 9.5983 10.5333 10.5373 k = 0.0862 0.4298 0.8245 ( 4600 PWs) bands (ev): -7.3673 -7.3667 -7.0329 -7.0321 -6.5180 -6.5159 -2.8394 -2.8374 1.0762 1.0989 1.1830 1.1910 2.0432 2.0882 2.1740 2.1978 2.4311 2.4360 2.8378 2.8405 3.0007 3.0128 3.1929 3.2116 4.2070 4.2638 4.2927 4.3355 4.4067 4.4688 4.5100 4.5392 4.6378 4.6580 4.7100 4.7392 5.0699 5.0812 5.1816 5.1855 5.3291 5.3343 5.5715 5.5902 8.0294 8.0353 8.7507 8.7740 9.5859 9.6085 10.4940 10.4963 k = 0.0776 0.4449 0.8119 ( 4600 PWs) bands (ev): -7.3684 -7.3678 -7.0350 -7.0343 -6.5185 -6.5167 -2.8336 -2.8318 1.0806 1.1024 1.2299 1.2361 2.0466 2.0868 2.1439 2.1758 2.4248 2.4343 2.8457 2.8462 2.9974 3.0088 3.1974 3.2153 4.1994 4.2588 4.2964 4.3267 4.4064 4.4682 4.5135 4.5387 4.6457 4.6578 4.7148 4.7491 5.0674 5.0794 5.1650 5.1711 5.3225 5.3234 5.5593 5.5775 8.0382 8.0457 8.6820 8.7038 9.6000 9.6213 10.4616 10.4626 k = 0.0690 0.4600 0.7994 ( 4606 PWs) bands (ev): -7.3694 -7.3689 -7.0369 -7.0363 -6.5191 -6.5174 -2.8283 -2.8266 1.0852 1.1058 1.2776 1.2823 2.0480 2.0791 2.1129 2.1538 2.4219 2.4340 2.8461 2.8482 2.9996 3.0095 3.2016 3.2183 4.1923 4.2514 4.3002 4.3207 4.4068 4.4671 4.5165 4.5380 4.6529 4.6583 4.7208 4.7597 5.0614 5.0733 5.1497 5.1552 5.3191 5.3233 5.5462 5.5637 8.0456 8.0540 8.6182 8.6383 9.6160 9.6358 10.4358 10.4358 k = 0.0603 0.4751 0.7868 ( 4598 PWs) bands (ev): -7.3702 -7.3698 -7.0387 -7.0381 -6.5196 -6.5181 -2.8235 -2.8220 1.0900 1.1092 1.3258 1.3291 2.0425 2.0616 2.0864 2.1368 2.4215 2.4344 2.8415 2.8460 3.0061 3.0141 3.2054 3.2209 4.1861 4.2420 4.3039 4.3173 4.4081 4.4655 4.5191 4.5372 4.6592 4.6594 4.7286 4.7707 5.0491 5.0593 5.1408 5.1447 5.3207 5.3262 5.5327 5.5492 8.0515 8.0603 8.5604 8.5784 9.6330 9.6510 10.4155 10.4161 k = 0.0517 0.4902 0.7742 ( 4598 PWs) bands (ev): -7.3710 -7.3707 -7.0402 -7.0397 -6.5200 -6.5187 -2.8192 -2.8178 1.0949 1.1123 1.3739 1.3758 2.0202 2.0339 2.0754 2.1263 2.4227 2.4352 2.8345 2.8406 3.0149 3.0211 3.2090 3.2229 4.1811 4.2315 4.3073 4.3157 4.4101 4.4633 4.5211 4.5362 4.6609 4.6644 4.7380 4.7818 5.0310 5.0375 5.1392 5.1419 5.3250 5.3304 5.5191 5.5343 8.0561 8.0648 8.5090 8.5249 9.6501 9.6661 10.4008 10.4018 k = 0.0431 0.5053 0.7617 ( 4594 PWs) bands (ev): -7.3717 -7.3714 -7.0415 -7.0411 -6.5203 -6.5193 -2.8154 -2.8143 1.0998 1.1149 1.4212 1.4218 1.9867 1.9998 2.0750 2.1196 2.4247 2.4361 2.8268 2.8336 3.0244 3.0291 3.2123 3.2244 4.1772 4.2208 4.3102 4.3153 4.4129 4.4604 4.5229 4.5350 4.6629 4.6682 4.7491 4.7928 5.0099 5.0119 5.1426 5.1443 5.3302 5.3351 5.5061 5.5196 8.0596 8.0677 8.4647 8.4782 9.6666 9.6802 10.3908 10.3920 k = 0.0345 0.5204 0.7491 ( 4588 PWs) bands (ev): -7.3723 -7.3720 -7.0427 -7.0423 -6.5206 -6.5197 -2.8123 -2.8114 1.1044 1.1170 1.4661 1.4667 1.9507 1.9632 2.0776 2.1143 2.4271 2.4367 2.8196 2.8261 3.0333 3.0368 3.2154 3.2254 4.1748 4.2106 4.3127 4.3155 4.4165 4.4568 4.5243 4.5338 4.6651 4.6709 4.7618 4.8032 4.9862 4.9887 5.1482 5.1492 5.3356 5.3394 5.4941 5.5056 8.0622 8.0693 8.4281 8.4391 9.6815 9.6927 10.3846 10.3857 k = 0.0259 0.5355 0.7366 ( 4592 PWs) bands (ev): -7.3727 -7.3725 -7.0435 -7.0433 -6.5208 -6.5201 -2.8097 -2.8091 1.1086 1.1184 1.5073 1.5088 1.9160 1.9269 2.0813 2.1095 2.4295 2.4371 2.8136 2.8192 3.0408 3.0433 3.2181 3.2259 4.1739 4.2012 4.3145 4.3159 4.4209 4.4526 4.5256 4.5325 4.6673 4.6725 4.7756 4.8121 4.9628 4.9689 5.1544 5.1547 5.3403 5.3432 5.4840 5.4931 8.0642 8.0698 8.3995 8.4079 9.6943 9.7029 10.3810 10.3819 k = 0.0172 0.5507 0.7240 ( 4594 PWs) bands (ev): -7.3730 -7.3729 -7.0441 -7.0440 -6.5209 -6.5205 -2.8079 -2.8074 1.1123 1.1190 1.5428 1.5447 1.8857 1.8941 2.0855 2.1047 2.4318 2.4370 2.8095 2.8135 3.0466 3.0482 3.2205 3.2258 4.1745 4.1930 4.3158 4.3164 4.4259 4.4477 4.5267 4.5312 4.6693 4.6732 4.7898 4.8182 4.9444 4.9518 5.1596 5.1597 5.3442 5.3460 5.4765 5.4828 8.0657 8.0696 8.3792 8.3849 9.7043 9.7101 10.3793 10.3799 k = 0.0086 0.5658 0.7114 ( 4588 PWs) bands (ev): -7.3732 -7.3731 -7.0445 -7.0444 -6.5209 -6.5207 -2.8067 -2.8065 1.1153 1.1187 1.5684 1.5698 1.8646 1.8693 2.0901 2.0998 2.4338 2.4364 2.8073 2.8095 3.0503 3.0511 3.2225 3.2252 4.1768 4.1861 4.3166 4.3168 4.4313 4.4425 4.5278 4.5301 4.6710 4.6731 4.8032 4.8193 4.9334 4.9388 5.1631 5.1632 5.3468 5.3477 5.4723 5.4755 8.0670 8.0690 8.3676 8.3704 9.7111 9.7140 10.3786 10.3789 k = 0.0000 0.5809 0.6989 ( 4584 PWs) bands (ev): -7.3732 -7.3732 -7.0446 -7.0446 -6.5209 -6.5209 -2.8063 -2.8063 1.1174 1.1174 1.5785 1.5785 1.8583 1.8583 2.0949 2.0949 2.4353 2.4353 2.8074 2.8074 3.0518 3.0518 3.2241 3.2241 4.1807 4.1807 4.3169 4.3169 4.4369 4.4369 4.5290 4.5290 4.6723 4.6723 4.8139 4.8139 4.9319 4.9319 5.1644 5.1644 5.3480 5.3480 5.4719 5.4719 8.0681 8.0681 8.3646 8.3646 9.7144 9.7144 10.3785 10.3785 k = 0.0000 0.5809 0.6989 ( 4584 PWs) bands (ev): -7.3732 -7.3732 -7.0446 -7.0446 -6.5209 -6.5209 -2.8063 -2.8063 1.1174 1.1174 1.5785 1.5785 1.8583 1.8583 2.0949 2.0949 2.4353 2.4353 2.8074 2.8074 3.0518 3.0518 3.2241 3.2241 4.1807 4.1807 4.3169 4.3169 4.4369 4.4369 4.5290 4.5290 4.6723 4.6723 4.8139 4.8139 4.9319 4.9319 5.1644 5.1644 5.3480 5.3480 5.4719 5.4719 8.0681 8.0681 8.3646 8.3646 9.7144 9.7144 10.3785 10.3785 k = 0.0198 0.5876 0.6933 ( 4588 PWs) bands (ev): -7.3733 -7.3733 -7.0444 -7.0441 -6.5215 -6.5214 -2.8060 -2.8056 1.1185 1.1187 1.5734 1.5799 1.8540 1.8601 2.0905 2.1018 2.4340 2.4373 2.8058 2.8118 3.0477 3.0559 3.2203 3.2272 4.1749 4.1861 4.3084 4.3265 4.4327 4.4415 4.5275 4.5308 4.6649 4.6800 4.8113 4.8162 4.9290 4.9336 5.1584 5.1712 5.3348 5.3482 5.4705 5.4890 8.0662 8.0667 8.3655 8.3667 9.7014 9.7085 10.3753 10.3758 k = 0.0397 0.5943 0.6877 ( 4586 PWs) bands (ev): -7.3736 -7.3735 -7.0435 -7.0431 -6.5235 -6.5232 -2.8047 -2.8039 1.1219 1.1225 1.5649 1.5772 1.8474 1.8588 2.0886 2.1110 2.4333 2.4397 2.8070 2.8189 3.0435 3.0598 3.2160 3.2297 4.1690 4.1908 4.3011 4.3371 4.4291 4.4465 4.5265 4.5331 4.6580 4.6877 4.8086 4.8181 4.9251 4.9341 5.1527 5.1793 5.3162 5.3347 5.4856 5.5147 8.0611 8.0622 8.3693 8.3718 9.6708 9.6845 10.3663 10.3674 k = 0.0595 0.6010 0.6822 ( 4580 PWs) bands (ev): -7.3740 -7.3739 -7.0420 -7.0414 -6.5266 -6.5262 -2.8024 -2.8012 1.1278 1.1286 1.5532 1.5706 1.8391 1.8545 2.0891 2.1221 2.4333 2.4425 2.8107 2.8286 3.0393 3.0636 3.2111 3.2317 4.1631 4.1948 4.2952 4.3486 4.4260 4.4518 4.5260 4.5358 4.6514 4.6952 4.8060 4.8196 4.9203 4.9334 5.1463 5.1886 5.2965 5.3155 5.5100 5.5439 8.0529 8.0547 8.3759 8.3796 9.6253 9.6446 10.3525 10.3543 k = 0.0794 0.6077 0.6766 ( 4582 PWs) bands (ev): -7.3747 -7.3745 -7.0400 -7.0391 -6.5308 -6.5303 -2.7992 -2.7975 1.1359 1.1371 1.5390 1.5601 1.8297 1.8475 2.0918 2.1347 2.4339 2.4456 2.8167 2.8405 3.0351 3.0670 3.2058 3.2330 4.1574 4.1978 4.2906 4.3609 4.4234 4.4573 4.5260 4.5387 4.6454 4.7020 4.8039 4.8205 4.9149 4.9316 5.1382 5.1987 5.2761 5.2987 5.5382 5.5743 8.0421 8.0446 8.3853 8.3901 9.5682 9.5922 10.3353 10.3380 k = 0.0992 0.6144 0.6710 ( 4584 PWs) bands (ev): -7.3756 -7.3754 -7.0373 -7.0362 -6.5360 -6.5355 -2.7951 -2.7931 1.1462 1.1480 1.5224 1.5460 1.8194 1.8381 2.0963 2.1486 2.4353 2.4489 2.8246 2.8543 3.0309 3.0702 3.2001 3.2339 4.1520 4.1997 4.2874 4.3739 4.4213 4.4630 4.5263 4.5418 4.6399 4.7074 4.8029 4.8211 4.9091 4.9289 5.1279 5.2084 5.2552 5.2890 5.5676 5.6044 8.0289 8.0323 8.3971 8.4031 9.5032 9.5309 10.3164 10.3198 k = 0.1191 0.6211 0.6655 ( 4594 PWs) bands (ev): -7.3768 -7.3766 -7.0341 -7.0328 -6.5421 -6.5414 -2.7903 -2.7878 1.1586 1.1611 1.5041 1.5288 1.8086 1.8269 2.1023 2.1631 2.4372 2.4522 2.8340 2.8695 3.0270 3.0728 3.1942 3.2343 4.1469 4.2005 4.2854 4.3873 4.4197 4.4686 4.5270 4.5450 4.6348 4.7106 4.8036 4.8214 4.9032 4.9254 5.1158 5.2109 5.2415 5.2863 5.5963 5.6334 8.0140 8.0183 8.4111 8.4182 9.4335 9.4640 10.2974 10.3014 k = 0.1389 0.6278 0.6599 ( 4594 PWs) bands (ev): -7.3785 -7.3782 -7.0304 -7.0288 -6.5488 -6.5481 -2.7847 -2.7817 1.1728 1.1764 1.4844 1.5091 1.7976 1.8144 2.1096 2.1780 2.4396 2.4556 2.8445 2.8854 3.0235 3.0747 3.1884 3.2344 4.1425 4.2005 4.2844 4.4013 4.4188 4.4742 4.5280 4.5482 4.6301 4.7109 4.8068 4.8216 4.8974 4.9213 5.1030 5.1967 5.2460 5.2887 5.6235 5.6604 7.9979 8.0032 8.4270 8.4350 9.3622 9.3946 10.2796 10.2842 k = 0.1588 0.6344 0.6544 ( 4588 PWs) bands (ev): -7.3805 -7.3803 -7.0261 -7.0244 -6.5560 -6.5553 -2.7786 -2.7751 1.1887 1.1938 1.4638 1.4874 1.7865 1.8011 2.1178 2.1930 2.4423 2.4589 2.8555 2.9014 3.0207 3.0757 3.1829 3.2342 4.1386 4.1998 4.2842 4.4149 4.4187 4.4796 4.5293 4.5514 4.6256 4.7081 4.8126 4.8219 4.8920 4.9167 5.0906 5.1774 5.2577 5.2949 5.6481 5.6848 7.9814 7.9877 8.4444 8.4531 9.2918 9.3255 10.2640 10.2691 k = 0.1786 0.6411 0.6488 ( 4588 PWs) bands (ev): -7.3832 -7.3830 -7.0215 -7.0195 -6.5636 -6.5627 -2.7719 -2.7680 1.2057 1.2130 1.4428 1.4644 1.7756 1.7876 2.1267 2.2077 2.4453 2.4619 2.8666 2.9167 3.0192 3.0754 3.1782 3.2338 4.1353 4.1986 4.2843 4.4178 4.4297 4.4844 4.5308 4.5544 4.6211 4.7026 4.8208 4.8225 4.8873 4.9116 5.0796 5.1589 5.2709 5.3034 5.6694 5.7057 7.9652 7.9724 8.4624 8.4717 9.2248 9.2591 10.2509 10.2568 k = 0.1985 0.6478 0.6432 ( 4586 PWs) bands (ev): -7.3865 -7.3863 -7.0164 -7.0142 -6.5711 -6.5702 -2.7649 -2.7604 1.2235 1.2339 1.4221 1.4407 1.7649 1.7742 2.1360 2.2220 2.4482 2.4647 2.8774 2.9300 3.0197 3.0736 3.1744 3.2334 4.1328 4.1973 4.2846 4.4180 4.4432 4.4885 4.5324 4.5572 4.6164 4.6952 4.8235 4.8309 4.8834 4.9062 5.0709 5.1429 5.2844 5.3133 5.6866 5.7225 7.9501 7.9580 8.4804 8.4898 9.1637 9.1979 10.2401 10.2471 k = 0.2183 0.6545 0.6377 ( 4582 PWs) bands (ev): -7.3905 -7.3904 -7.0111 -7.0086 -6.5785 -6.5776 -2.7575 -2.7525 1.2410 1.2558 1.4026 1.4171 1.7549 1.7615 2.1456 2.2355 2.4511 2.4670 2.8873 2.9403 3.0231 3.0700 3.1720 3.2329 4.1311 4.1960 4.2849 4.4185 4.4555 4.4916 4.5340 4.5600 4.6112 4.6874 4.8249 4.8421 4.8806 4.9005 5.0648 5.1300 5.2975 5.3238 5.6992 5.7348 7.9366 7.9452 8.4968 8.5060 9.1109 9.1447 10.2307 10.2391 k = 0.2382 0.6612 0.6321 ( 4582 PWs) bands (ev): -7.3955 -7.3953 -7.0054 -7.0027 -6.5855 -6.5846 -2.7500 -2.7444 1.2564 1.2779 1.3859 1.3950 1.7455 1.7498 2.1553 2.2482 2.4538 2.4687 2.8958 2.9470 3.0298 3.0647 3.1708 3.2326 4.1301 4.1949 4.2850 4.4191 4.4657 4.4935 4.5355 4.5625 4.6056 4.6803 4.8266 4.8540 4.8793 4.8946 5.0615 5.1209 5.3100 5.3344 5.7067 5.7419 7.9256 7.9347 8.5100 8.5186 9.0689 9.1020 10.2212 10.2312 k = 0.2580 0.6679 0.6265 ( 4587 PWs) bands (ev): -7.4014 -7.4013 -6.9994 -6.9965 -6.5919 -6.5910 -2.7424 -2.7361 1.2668 1.2972 1.3737 1.3784 1.7372 1.7396 2.1650 2.2598 2.4562 2.4697 2.9023 2.9506 3.0392 3.0579 3.1708 3.2326 4.1299 4.1938 4.2849 4.4198 4.4722 4.4945 4.5369 4.5638 4.6010 4.6752 4.8283 4.8661 4.8794 4.8891 5.0611 5.1161 5.3215 5.3444 5.7087 5.7436 7.9174 7.9268 8.5182 8.5263 9.0402 9.0726 10.2100 10.2212 k = 0.2779 0.6746 0.6210 ( 4590 PWs) bands (ev): -7.4083 -7.4083 -6.9933 -6.9901 -6.5974 -6.5965 -2.7347 -2.7279 1.2684 1.3056 1.3695 1.3756 1.7296 1.7318 2.1745 2.2702 2.4582 2.4698 2.9063 2.9522 3.0491 3.0511 3.1718 3.2328 4.1305 4.1930 4.2846 4.4206 4.4731 4.4957 4.5378 4.5622 4.5996 4.6728 4.8299 4.8775 4.8787 4.8869 5.0637 5.1160 5.3319 5.3536 5.7051 5.7398 7.9125 7.9221 8.5199 8.5279 9.0264 9.0584 10.1965 10.2081 k = 0.2779 0.6746 0.6210 ( 4590 PWs) bands (ev): -7.4083 -7.4083 -6.9933 -6.9901 -6.5974 -6.5965 -2.7347 -2.7279 1.2684 1.3056 1.3695 1.3756 1.7296 1.7318 2.1745 2.2702 2.4582 2.4698 2.9063 2.9522 3.0491 3.0511 3.1718 3.2328 4.1305 4.1930 4.2846 4.4206 4.4731 4.4957 4.5378 4.5622 4.5996 4.6728 4.8299 4.8775 4.8787 4.8869 5.0637 5.1160 5.3319 5.3536 5.7051 5.7398 7.9125 7.9221 8.5199 8.5279 9.0264 9.0584 10.1965 10.2081 k = 0.2840 0.6638 0.6037 ( 4582 PWs) bands (ev): -7.4344 -7.4342 -6.9725 -6.9687 -6.6132 -6.6125 -2.7091 -2.7004 1.2572 1.3019 1.3847 1.3895 1.7060 1.7122 2.2057 2.3017 2.4623 2.4673 2.9143 2.9551 3.0537 3.0562 3.1760 3.2334 4.1342 4.1901 4.2846 4.4231 4.4672 4.4997 4.5376 4.5538 4.6017 4.6692 4.8339 4.8698 4.8957 4.9120 5.0769 5.1237 5.3614 5.3801 5.6863 5.7204 7.9028 7.9129 8.5182 8.5270 9.0092 9.0409 10.1518 10.1627 k = 0.2902 0.6530 0.5865 ( 4582 PWs) bands (ev): -7.4644 -7.4642 -6.9497 -6.9454 -6.6297 -6.6291 -2.6799 -2.6692 1.2447 1.2965 1.4027 1.4070 1.6822 1.6934 2.2398 2.3355 2.4627 2.4638 2.9220 2.9581 3.0581 3.0616 3.1799 3.2333 4.1387 4.1853 4.2880 4.4251 4.4631 4.5026 4.5316 4.5520 4.6020 4.6646 4.8362 4.8624 4.9124 4.9464 5.0910 5.1323 5.3897 5.4058 5.6699 5.7032 7.8937 7.9043 8.5234 8.5330 8.9962 9.0276 10.1056 10.1159 k = 0.2964 0.6422 0.5692 ( 4580 PWs) bands (ev): -7.4974 -7.4972 -6.9259 -6.9212 -6.6467 -6.6463 -2.6471 -2.6345 1.2311 1.2900 1.4231 1.4273 1.6596 1.6765 2.2756 2.3705 2.4562 2.4627 2.9296 2.9612 3.0623 3.0671 3.1835 3.2324 4.1439 4.1794 4.2945 4.4264 4.4609 4.5047 4.5229 4.5540 4.6006 4.6597 4.8379 4.8565 4.9345 4.9804 5.1059 5.1417 5.4170 5.4306 5.6561 5.6887 7.8853 7.8968 8.5357 8.5461 8.9874 9.0182 10.0581 10.0678 k = 0.3026 0.6314 0.5520 ( 4586 PWs) bands (ev): -7.5324 -7.5322 -6.9020 -6.8969 -6.6642 -6.6639 -2.6111 -2.5965 1.2166 1.2824 1.4456 1.4498 1.6395 1.6622 2.3121 2.4059 2.4482 2.4592 2.9368 2.9646 3.0658 3.0724 3.1870 3.2309 4.1497 4.1727 4.3038 4.4268 4.4606 4.5059 4.5148 4.5570 4.5977 4.6548 4.8402 4.8521 4.9595 5.0134 5.1215 5.1520 5.4430 5.4543 5.6454 5.6771 7.8779 7.8903 8.5551 8.5663 8.9821 9.0122 10.0090 10.0183 k = 0.3087 0.6205 0.5347 ( 4578 PWs) bands (ev): -7.5689 -7.5688 -6.8784 -6.8730 -6.6821 -6.6819 -2.5720 -2.5556 1.2016 1.2740 1.4700 1.4741 1.6226 1.6507 2.3489 2.4323 2.4477 2.4536 2.9438 2.9681 3.0686 3.0774 3.1903 3.2287 4.1559 4.1658 4.3153 4.4266 4.4618 4.5065 4.5086 4.5600 4.5934 4.6502 4.8439 4.8495 4.9859 5.0446 5.1378 5.1632 5.4680 5.4767 5.6383 5.6686 7.8717 7.8853 8.5816 8.5936 8.9801 9.0094 9.9583 9.9672 k = 0.3149 0.6097 0.5175 ( 4586 PWs) bands (ev): -7.6063 -7.6063 -6.8554 -6.8498 -6.7003 -6.7002 -2.5301 -2.5118 1.1862 1.2647 1.4960 1.4997 1.6095 1.6422 2.3854 2.4243 2.4462 2.4803 2.9504 2.9717 3.0706 3.0819 3.1935 3.2260 4.1592 4.1624 4.3288 4.4256 4.4638 4.5051 4.5065 4.5630 4.5880 4.6461 4.8486 4.8492 5.0123 5.0731 5.1546 5.1754 5.4921 5.4976 5.6354 5.6636 7.8668 7.8818 8.6152 8.6278 8.9808 9.0090 9.9056 9.9141 k = 0.3211 0.5989 0.5002 ( 4588 PWs) bands (ev): -7.6445 -7.6444 -6.8334 -6.8276 -6.7188 -6.7188 -2.4857 -2.4656 1.1709 1.2550 1.5235 1.5259 1.6007 1.6366 2.4118 2.4195 2.4391 2.5158 2.9565 2.9752 3.0716 3.0859 3.1964 3.2228 4.1531 4.1689 4.3441 4.4237 4.4660 4.5050 4.5059 4.5661 4.5816 4.6426 4.8497 4.8561 5.0377 5.0984 5.1718 5.1886 5.5157 5.5165 5.6375 5.6623 7.8635 7.8803 8.6558 8.6690 8.9836 9.0105 9.8505 9.8586 k = 0.3272 0.5881 0.4830 ( 4590 PWs) bands (ev): -7.6829 -7.6828 -6.8125 -6.8065 -6.7376 -6.7375 -2.4391 -2.4173 1.1564 1.2453 1.5507 1.5522 1.5978 1.6335 2.3980 2.4231 2.4606 2.5514 2.9621 2.9785 3.0716 3.0893 3.1992 3.2192 4.1477 4.1754 4.3607 4.4208 4.4680 4.5051 4.5082 4.5696 4.5744 4.6397 4.8528 4.8646 5.0613 5.1196 5.1896 5.2029 5.5330 5.5390 5.6458 5.6651 7.8619 7.8808 8.7030 8.7168 8.9880 9.0132 9.7923 9.8001 k = 0.3334 0.5773 0.4657 ( 4584 PWs) bands (ev): -7.7214 -7.7212 -6.7928 -6.7867 -6.7565 -6.7562 -2.3907 -2.3671 1.1431 1.2362 1.5679 1.5817 1.6063 1.6328 2.3833 2.4116 2.4955 2.5867 2.9671 2.9816 3.0707 3.0920 3.2016 3.2153 4.1431 4.1817 4.3786 4.4171 4.4698 4.5043 4.5136 4.5665 4.5747 4.6376 4.8580 4.8745 5.0826 5.1369 5.2078 5.2179 5.5466 5.5618 5.6609 5.6727 7.8620 7.8836 8.7568 8.7711 8.9931 9.0164 9.7302 9.7379 k = 0.3396 0.5665 0.4485 ( 4592 PWs) bands (ev): -7.7597 -7.7594 -6.7768 -6.7754 -6.7729 -6.7680 -2.3407 -2.3156 1.1316 1.2283 1.5741 1.6110 1.6289 1.6350 2.3679 2.3985 2.5305 2.6218 2.9714 2.9843 3.0688 3.0941 3.2036 3.2111 4.1393 4.1876 4.3972 4.4126 4.4715 4.5035 4.5191 4.5580 4.5827 4.6363 4.8650 4.8855 5.1011 5.1502 5.2265 5.2332 5.5575 5.5830 5.6829 5.6862 7.8639 7.8886 8.8166 8.8312 8.9983 9.0191 9.6638 9.6714 k = 0.3457 0.5556 0.4312 ( 4588 PWs) bands (ev): -7.7977 -7.7973 -6.7944 -6.7941 -6.7571 -6.7509 -2.2895 -2.2629 1.1224 1.2223 1.5766 1.6304 1.6490 1.6575 2.3521 2.3844 2.5651 2.6566 2.9750 2.9865 3.0663 3.0957 3.2051 3.2067 4.1365 4.1933 4.4078 4.4161 4.4732 4.5032 4.5229 4.5491 4.5952 4.6361 4.8738 4.8974 5.1167 5.1602 5.2456 5.2485 5.5663 5.6010 5.7074 5.7114 7.8674 7.8959 8.8818 8.8963 9.0030 9.0208 9.5925 9.6001 k = 0.3519 0.5448 0.4140 ( 4586 PWs) bands (ev): -7.8351 -7.8346 -6.8132 -6.8128 -6.7413 -6.7351 -2.2376 -2.2096 1.1161 1.2187 1.5790 1.6358 1.6784 1.6879 2.3359 2.3698 2.5992 2.6910 2.9779 2.9883 3.0630 3.0967 3.2020 3.2060 4.1344 4.1985 4.4028 4.4341 4.4748 4.5040 4.5240 4.5400 4.6128 4.6375 4.8842 4.9099 5.1295 5.1674 5.2637 5.2654 5.5736 5.6151 5.7367 5.7456 7.8722 7.9053 8.9490 8.9620 9.0084 9.0234 9.5170 9.5245 k = 0.3581 0.5340 0.3967 ( 4586 PWs) bands (ev): -7.8718 -7.8713 -6.8318 -6.8314 -6.7268 -6.7206 -2.1854 -2.1561 1.1131 1.2182 1.5818 1.6400 1.7100 1.7190 2.3195 2.3549 2.6326 2.7251 2.9801 2.9895 3.0591 3.0975 3.1973 3.2063 4.1331 4.2034 4.3977 4.4498 4.4762 4.5065 4.5228 4.5309 4.6348 4.6409 4.8957 4.9228 5.1395 5.1722 5.2790 5.2856 5.5798 5.6255 5.7735 5.7848 7.8776 7.9163 8.9862 8.9916 9.0437 9.0602 9.4398 9.4464 k = 0.3643 0.5232 0.3795 ( 4594 PWs) bands (ev): -7.9077 -7.9071 -6.8502 -6.8498 -6.7135 -6.7074 -2.1332 -2.1027 1.1137 1.2212 1.5849 1.6443 1.7419 1.7501 2.3033 2.3399 2.6652 2.7588 2.9817 2.9901 3.0548 3.0980 3.1924 3.2060 4.1324 4.2078 4.3927 4.4614 4.4773 4.5104 4.5198 4.5230 4.6473 4.6605 4.9081 4.9357 5.1473 5.1751 5.2946 5.3064 5.5853 5.6332 5.8163 5.8286 7.8827 7.9283 8.9742 8.9778 9.1199 9.1357 9.3665 9.3707 k = 0.3704 0.5124 0.3622 ( 4592 PWs) bands (ev): -7.9427 -7.9420 -6.8683 -6.8678 -6.7015 -6.6954 -2.0814 -2.0500 1.1184 1.2281 1.5882 1.6489 1.7736 1.7809 2.2873 2.3250 2.6968 2.7917 2.9828 2.9903 3.0503 3.0987 3.1874 3.2050 4.1322 4.2118 4.3878 4.4682 4.4782 4.5081 4.5158 4.5236 4.6578 4.6891 4.9210 4.9485 5.1531 5.1763 5.3109 5.3279 5.5901 5.6390 5.8639 5.8763 7.8861 7.9400 8.9332 8.9494 9.2044 9.2168 9.3053 9.3081 k = 0.3766 0.5015 0.3450 ( 4586 PWs) bands (ev): -7.9766 -7.9759 -6.8860 -6.8855 -6.6906 -6.6846 -2.0305 -1.9984 1.1274 1.2391 1.5915 1.6535 1.8049 1.8110 2.2717 2.3106 2.7272 2.8236 2.9838 2.9900 3.0455 3.0997 3.1823 3.2034 4.1325 4.2154 4.3830 4.4713 4.4787 4.4999 4.5112 4.5305 4.6735 4.7201 4.9340 4.9609 5.1573 5.1763 5.3280 5.3500 5.5943 5.6433 5.9154 5.9276 7.8854 7.9493 8.8676 8.8989 9.2499 9.2556 9.2966 9.3217 k = 0.3828 0.4907 0.3277 ( 4578 PWs) bands (ev): -8.0094 -8.0087 -6.9033 -6.9027 -6.6809 -6.6750 -1.9808 -1.9481 1.1408 1.2545 1.5949 1.6583 1.8354 1.8400 2.2567 2.2969 2.7560 2.8540 2.9850 2.9893 3.0407 3.1013 3.1771 3.2011 4.1330 4.2185 4.3784 4.4718 4.4788 4.4915 4.5063 4.5364 4.6944 4.7528 4.9469 4.9726 5.1603 5.1754 5.3464 5.3727 5.5980 5.6467 5.9702 5.9820 7.8777 7.9531 8.7825 8.8291 9.2312 9.2316 9.3884 9.4098 k = 0.3889 0.4799 0.3105 ( 4570 PWs) bands (ev): -8.0410 -8.0403 -6.9200 -6.9194 -6.6722 -6.6665 -1.9327 -1.8998 1.1586 1.2744 1.5982 1.6633 1.8648 1.8677 2.2426 2.2841 2.7829 2.8816 2.9874 2.9886 3.0360 3.1039 3.1718 3.1983 4.1336 4.2210 4.3741 4.4697 4.4783 4.4847 4.5015 4.5399 4.7201 4.7868 4.9591 4.9835 5.1623 5.1739 5.3662 5.3961 5.6013 5.6491 6.0276 6.0391 7.8586 7.9462 8.6900 8.7503 9.2228 9.2239 9.4842 9.5050 k = 0.3951 0.4691 0.2932 ( 4576 PWs) bands (ev): -8.0712 -8.0705 -6.9362 -6.9356 -6.6644 -6.6589 -1.8865 -1.8536 1.1809 1.2985 1.6017 1.6686 1.8928 1.8936 2.2297 2.2724 2.8074 2.9046 2.9871 2.9932 3.0314 3.1078 3.1663 3.1949 4.1342 4.2226 4.3699 4.4641 4.4771 4.4809 4.4971 4.5411 4.7496 4.8215 4.9705 4.9935 5.1636 5.1718 5.3878 5.4203 5.6042 5.6507 6.0872 6.0984 7.8233 7.9214 8.6036 8.6747 9.2260 9.2263 9.5823 9.6032 k = 0.4013 0.4583 0.2760 ( 4580 PWs) bands (ev): -8.1001 -8.0994 -6.9518 -6.9512 -6.6576 -6.6523 -1.8425 -1.8098 1.2072 1.3268 1.6054 1.6745 1.9175 1.9191 2.2182 2.2623 2.8292 2.9208 2.9859 3.0035 3.0274 3.1132 3.1608 3.1912 4.1347 4.2234 4.3661 4.4564 4.4750 4.4792 4.4934 4.5407 4.7816 4.8564 4.9809 5.0025 5.1643 5.1695 5.4113 5.4454 5.6067 5.6516 6.1486 6.1595 7.7677 7.8714 8.5355 8.6116 9.2360 9.2388 9.6819 9.7031 k = 0.4074 0.4475 0.2587 ( 4580 PWs) bands (ev): -8.1275 -8.1268 -6.9667 -6.9661 -6.6516 -6.6465 -1.8010 -1.7688 1.2372 1.3586 1.6098 1.6813 1.9389 1.9430 2.2085 2.2540 2.8478 2.9292 2.9849 3.0171 3.0263 3.1201 3.1554 3.1873 4.1350 4.2233 4.3627 4.4481 4.4721 4.4785 4.4908 4.5390 4.8153 4.8906 4.9901 5.0104 5.1646 5.1671 5.4371 5.4714 5.6089 5.6521 6.2113 6.2221 7.6905 7.7928 8.4918 8.5656 9.2532 9.2588 9.7823 9.8039 k = 0.4136 0.4366 0.2415 ( 4582 PWs) bands (ev): -8.1534 -8.1527 -6.9809 -6.9803 -6.6464 -6.6416 -1.7621 -1.7308 1.2702 1.3929 1.6157 1.6894 1.9575 1.9642 2.2011 2.2478 2.8632 2.9318 2.9842 3.0182 3.0416 3.1278 3.1509 3.1835 4.1350 4.2219 4.3598 4.4398 4.4686 4.4780 4.4891 4.5364 4.8495 4.9235 4.9982 5.0171 5.1647 5.1648 5.4654 5.4986 5.6110 5.6521 6.2750 6.2855 7.5942 7.6898 8.4704 8.5364 9.2773 9.2860 9.8825 9.9048 k = 0.4198 0.4258 0.2242 ( 4590 PWs) bands (ev): -8.1777 -8.1770 -6.9943 -6.9937 -6.6419 -6.6373 -1.7260 -1.6958 1.3052 1.4282 1.6241 1.6994 1.9730 1.9822 2.1965 2.2439 2.8751 2.9309 2.9839 3.0157 3.0616 3.1327 3.1507 3.1802 4.1346 4.2192 4.3576 4.4317 4.4647 4.4777 4.4878 4.5331 4.8835 4.9537 5.0058 5.0226 5.1626 5.1645 5.4962 5.5271 5.6129 5.6517 6.3391 6.3494 7.4839 7.5704 8.4646 8.5204 9.3086 9.3202 9.9818 10.0048 k = 0.4260 0.4150 0.2070 ( 4602 PWs) bands (ev): -8.2004 -8.1997 -7.0069 -7.0063 -6.6379 -6.6337 -1.6928 -1.6639 1.3409 1.4620 1.6371 1.7122 1.9854 1.9965 2.1950 2.2424 2.8838 2.9280 2.9843 3.0135 3.0801 3.1305 3.1588 3.1784 4.1338 4.2152 4.3560 4.4240 4.4609 4.4774 4.4870 4.5294 4.9161 4.9784 5.0149 5.0272 5.1608 5.1643 5.5297 5.5570 5.6147 5.6511 6.4030 6.4132 7.3652 7.4424 8.4678 8.5135 9.3472 9.3616 10.0791 10.1029 k = 0.4321 0.4042 0.1897 ( 4594 PWs) bands (ev): -8.2214 -8.2208 -7.0186 -7.0181 -6.6346 -6.6306 -1.6625 -1.6352 1.3759 1.4911 1.6573 1.7284 1.9948 2.0071 2.1968 2.2431 2.8897 2.9241 2.9854 3.0119 3.0947 3.1251 3.1712 3.1793 4.1326 4.2099 4.3553 4.4168 4.4574 4.4771 4.4866 4.5255 4.9465 4.9934 5.0295 5.0311 5.1593 5.1640 5.5658 5.5883 5.6166 5.6502 6.4663 6.4761 7.2430 7.3116 8.4752 8.5119 9.3930 9.4098 10.1732 10.1979 k = 0.4383 0.3934 0.1725 ( 4594 PWs) bands (ev): -8.2407 -8.2402 -7.0294 -7.0289 -6.6317 -6.6280 -1.6351 -1.6096 1.4086 1.5128 1.6863 1.7489 2.0014 2.0141 2.2016 2.2458 2.8932 2.9193 2.9873 3.0111 3.1037 3.1186 3.1842 3.1849 4.1309 4.2032 4.3552 4.4102 4.4542 4.4767 4.4862 4.5214 4.9729 4.9991 5.0351 5.0485 5.1585 5.1639 5.6041 5.6151 5.6246 5.6492 6.5280 6.5376 7.1213 7.1822 8.4840 8.5130 9.4458 9.4644 10.2628 10.2883 k = 0.4445 0.3826 0.1552 ( 4598 PWs) bands (ev): -8.2583 -8.2578 -7.0393 -7.0389 -6.6293 -6.6259 -1.6105 -1.5871 1.4375 1.5271 1.7235 1.7740 2.0059 2.0184 2.2088 2.2500 2.8946 2.9142 2.9900 3.0109 3.1065 3.1118 3.1935 3.1985 4.1287 4.1953 4.3557 4.4040 4.4514 4.4762 4.4861 4.5172 4.9931 5.0003 5.0410 5.0669 5.1585 5.1640 5.6186 5.6416 5.6507 5.6572 6.5875 6.5969 7.0031 7.0574 8.4924 8.5151 9.5048 9.5248 10.3463 10.3725 k = 0.4506 0.3717 0.1380 ( 4594 PWs) bands (ev): -8.2742 -8.2737 -7.0483 -7.0479 -6.6272 -6.6242 -1.5888 -1.5676 1.4619 1.5356 1.7657 1.8033 2.0089 2.0207 2.2177 2.2551 2.8945 2.9088 2.9934 3.0116 3.1045 3.1050 3.2053 3.2120 4.1262 4.1863 4.3568 4.3985 4.4492 4.4754 4.4861 4.5132 4.9992 5.0043 5.0511 5.0824 5.1595 5.1645 5.6203 5.6456 5.6869 5.6928 6.6437 6.6528 6.8912 6.9394 8.4996 8.5172 9.5690 9.5898 10.4216 10.4483 k = 0.4568 0.3609 0.1207 ( 4596 PWs) bands (ev): -8.2882 -8.2878 -7.0562 -7.0559 -6.6255 -6.6229 -1.5698 -1.5509 1.4815 1.5405 1.8095 1.8354 2.0112 2.0223 2.2274 2.2605 2.8933 2.9033 2.9975 3.0130 3.0974 3.1004 3.2178 3.2246 4.1235 4.1767 4.3583 4.3935 4.4476 4.4743 4.4862 4.5093 4.9966 5.0074 5.0642 5.0944 5.1617 5.1655 5.6219 5.6443 5.7285 5.7291 6.6930 6.7036 6.7903 6.8312 8.5053 8.5188 9.6368 9.6580 10.4807 10.5058 k = 0.4630 0.3501 0.1035 ( 4604 PWs) bands (ev): -8.3004 -8.3000 -7.0632 -7.0629 -6.6241 -6.6218 -1.5534 -1.5370 1.4968 1.5429 1.8517 1.8682 2.0139 2.0241 2.2372 2.2659 2.8912 2.8979 3.0022 3.0152 3.0901 3.0942 3.2299 3.2361 4.1206 4.1665 4.3599 4.3890 4.4466 4.4728 4.4865 4.5056 4.9931 5.0060 5.0770 5.1027 5.1650 5.1672 5.6234 5.6427 5.7656 5.7697 6.6794 6.7159 6.7570 6.7666 8.5094 8.5198 9.7065 9.7275 10.4557 10.4734 k = 0.4691 0.3393 0.0862 ( 4602 PWs) bands (ev): -8.3107 -8.3104 -7.0691 -7.0688 -6.6229 -6.6210 -1.5395 -1.5258 1.5085 1.5439 1.8893 1.8987 2.0180 2.0275 2.2467 2.2707 2.8887 2.8929 3.0076 3.0181 3.0829 3.0871 3.2409 3.2461 4.1180 4.1564 4.3619 4.3851 4.4465 4.4709 4.4869 4.5023 4.9892 5.0023 5.0877 5.1080 5.1689 5.1694 5.6249 5.6411 5.8012 5.8091 6.6000 6.6351 6.7948 6.8005 8.5123 8.5200 9.7756 9.7960 10.4082 10.4243 k = 0.4753 0.3285 0.0690 ( 4598 PWs) bands (ev): -8.3192 -8.3190 -7.0739 -7.0737 -6.6220 -6.6204 -1.5281 -1.5170 1.5175 1.5438 1.9194 1.9238 2.0248 2.0333 2.2555 2.2747 2.8859 2.8883 3.0133 3.0216 3.0758 3.0796 3.2502 3.2545 4.1159 4.1466 4.3639 4.3818 4.4470 4.4685 4.4876 4.4994 4.9855 4.9974 5.0960 5.1110 5.1722 5.1728 5.6265 5.6395 5.8351 5.8453 6.5284 6.5587 6.8308 6.8355 8.5141 8.5198 9.8416 9.8606 10.3647 10.3793 k = 0.4815 0.3177 0.0517 ( 4604 PWs) bands (ev): -8.3258 -8.3256 -7.0777 -7.0776 -6.6212 -6.6201 -1.5190 -1.5106 1.5244 1.5430 1.9401 1.9417 2.0349 2.0417 2.2632 2.2776 2.8832 2.8844 3.0194 3.0255 3.0689 3.0720 3.2578 3.2610 4.1146 4.1375 4.3658 4.3788 4.4484 4.4657 4.4883 4.4969 4.9823 4.9921 5.1019 5.1125 5.1749 5.1761 5.6280 5.6378 5.8657 5.8765 6.4700 6.4948 6.8603 6.8639 8.5152 8.5192 9.9010 9.9178 10.3281 10.3408 k = 0.4877 0.3068 0.0345 ( 4604 PWs) bands (ev): -8.3305 -8.3304 -7.0804 -7.0803 -6.6206 -6.6199 -1.5121 -1.5065 1.5297 1.5416 1.9520 1.9524 2.0462 2.0508 2.2696 2.2792 2.8810 2.8815 3.0256 3.0296 3.0627 3.0648 3.2635 3.2657 4.1144 4.1297 4.3678 4.3762 4.4504 4.4625 4.4892 4.4948 4.9803 4.9873 5.1062 5.1128 5.1774 5.1786 5.6295 5.6361 5.8914 5.9006 6.4272 6.4452 6.8822 6.8847 8.5160 8.5185 9.9500 9.9630 10.3004 10.3103 k = 0.4938 0.2960 0.0172 ( 4622 PWs) bands (ev): -8.3333 -8.3333 -7.0820 -7.0820 -6.6202 -6.6198 -1.5074 -1.5046 1.5338 1.5396 1.9577 1.9578 2.0552 2.0575 2.2745 2.2793 2.8794 2.8796 3.0310 3.0330 3.0579 3.0589 3.2672 3.2682 4.1156 4.1232 4.3696 4.3738 4.4529 4.4592 4.4902 4.4930 4.9797 4.9833 5.1091 5.1122 5.1792 5.1799 5.6311 5.6344 5.9096 5.9150 6.4023 6.4119 6.8959 6.8972 8.5165 8.5177 9.9840 9.9914 10.2837 10.2894 k = 0.5000 0.2852-0.0000 ( 4624 PWs) bands (ev): -8.3343 -8.3343 -7.0826 -7.0826 -6.6200 -6.6200 -1.5049 -1.5049 1.5370 1.5370 1.9593 1.9593 2.0593 2.0593 2.2777 2.2777 2.8789 2.8789 3.0340 3.0340 3.0561 3.0561 3.2687 3.2687 4.1185 4.1185 4.3716 4.3716 4.4559 4.4559 4.4915 4.4915 4.9807 4.9807 5.1110 5.1110 5.1800 5.1800 5.6327 5.6327 5.9181 5.9181 6.3971 6.3971 6.9009 6.9009 8.5171 8.5171 9.9987 9.9987 10.2800 10.2800 k = 0.5000 0.2852-0.0000 ( 4624 PWs) bands (ev): -8.3343 -8.3343 -7.0826 -7.0826 -6.6200 -6.6200 -1.5049 -1.5049 1.5370 1.5370 1.9593 1.9593 2.0593 2.0593 2.2777 2.2777 2.8789 2.8789 3.0340 3.0340 3.0561 3.0561 3.2687 3.2687 4.1185 4.1185 4.3716 4.3716 4.4559 4.4559 4.4915 4.4915 4.9807 4.9807 5.1110 5.1110 5.1800 5.1800 5.6327 5.6327 5.9181 5.9181 6.3971 6.3971 6.9009 6.9009 8.5171 8.5171 9.9987 9.9987 10.2800 10.2800 k = 0.4815 0.2746-0.0000 ( 4616 PWs) bands (ev): -8.3349 -8.3349 -7.0818 -7.0814 -6.6199 -6.6194 -1.5059 -1.5053 1.5343 1.5351 1.9556 1.9627 2.0581 2.0585 2.2778 2.2827 2.8718 2.8857 3.0278 3.0379 3.0560 3.0561 3.2686 3.2687 4.1188 4.1221 4.3713 4.3721 4.4524 4.4593 4.4881 4.4949 4.9706 4.9826 5.1096 5.1131 5.1675 5.1925 5.6340 5.6413 5.9162 5.9178 6.3973 6.3981 6.9005 6.9018 8.5218 8.5238 9.9991 9.9993 10.2688 10.2739 k = 0.4630 0.2641-0.0000 ( 4602 PWs) bands (ev): -8.3369 -8.3369 -7.0793 -7.0785 -6.6194 -6.6184 -1.5081 -1.5071 1.5271 1.5287 1.9515 1.9647 2.0553 2.0554 2.2834 2.2928 2.8638 2.8922 3.0190 3.0398 3.0560 3.0561 3.2684 3.2686 4.1227 4.1290 4.3711 4.3727 4.4487 4.4626 4.4849 4.4987 4.9554 4.9748 5.1033 5.1202 5.1526 5.2076 5.6450 5.6591 5.9124 5.9155 6.3986 6.4002 6.9006 6.9030 8.5376 8.5418 10.0005 10.0008 10.2421 10.2520 k = 0.4444 0.2535-0.0000 ( 4602 PWs) bands (ev): -8.3402 -8.3402 -7.0750 -7.0738 -6.6182 -6.6167 -1.5117 -1.5102 1.5163 1.5186 1.9458 1.9634 2.0501 2.0512 2.2955 2.3085 2.8543 2.8983 3.0077 3.0403 3.0559 3.0561 3.2680 3.2684 4.1301 4.1393 4.3709 4.3733 4.4448 4.4659 4.4817 4.5026 4.9375 4.9591 5.0899 5.1256 5.1416 5.2257 5.6652 5.6851 5.9066 5.9111 6.4010 6.4034 6.9011 6.9047 8.5642 8.5703 10.0027 10.0032 10.2036 10.2179 k = 0.4259 0.2430-0.0000 ( 4610 PWs) bands (ev): -8.3446 -8.3446 -7.0690 -7.0674 -6.6166 -6.6146 -1.5166 -1.5146 1.5031 1.5061 1.9370 1.9565 2.0433 2.0467 2.3149 2.3299 2.8426 2.9031 2.9945 3.0401 3.0559 3.0560 3.2675 3.2681 4.1408 4.1523 4.3705 4.3739 4.4408 4.4692 4.4784 4.5066 4.9182 4.9384 5.0701 5.1059 5.1563 5.2463 5.6935 5.7178 5.8992 5.9046 6.4046 6.4079 6.9020 6.9067 8.6003 8.6085 10.0056 10.0065 10.1571 10.1754 k = 0.4074 0.2324-0.0000 ( 4608 PWs) bands (ev): -8.3502 -8.3502 -7.0615 -7.0595 -6.6144 -6.6119 -1.5227 -1.5202 1.4887 1.4922 1.9230 1.9422 2.0364 2.0432 2.3414 2.3568 2.8281 2.9050 2.9809 3.0395 3.0559 3.0560 3.2670 3.2679 4.1544 4.1678 4.3704 4.3748 4.4367 4.4724 4.4754 4.5110 4.8984 4.9153 5.0454 5.0790 5.1780 5.2685 5.7288 5.7556 5.8906 5.8962 6.4093 6.4136 6.9033 6.9090 8.6447 8.6550 10.0091 10.0107 10.1060 10.1273 k = 0.3889 0.2218-0.0000 ( 4600 PWs) bands (ev): -8.3568 -8.3567 -7.0526 -7.0502 -6.6116 -6.6087 -1.5298 -1.5271 1.4742 1.4781 1.9026 1.9204 2.0307 2.0411 2.3740 2.3883 2.8101 2.9008 2.9703 3.0391 3.0560 3.0561 3.2664 3.2676 4.1706 4.1851 4.3702 4.3758 4.4327 4.4718 4.4766 4.5158 4.8784 4.8912 5.0174 5.0492 5.2027 5.2922 5.7700 5.7959 5.8823 5.8860 6.4152 6.4207 6.9050 6.9116 8.6957 8.7080 10.0112 10.0155 10.0540 10.0761 k = 0.3704 0.2113-0.0000 ( 4600 PWs) bands (ev): -8.3642 -8.3641 -7.0425 -7.0397 -6.6083 -6.6051 -1.5381 -1.5349 1.4606 1.4645 1.8756 1.8920 2.0268 2.0403 2.4114 2.4233 2.7885 2.8874 2.9657 3.0390 3.0561 3.0561 3.2657 3.2673 4.1889 4.2038 4.3699 4.3768 4.4290 4.4688 4.4805 4.5208 4.8586 4.8669 4.9874 5.0177 5.2297 5.3170 5.8157 5.8299 5.8741 5.8821 6.4224 6.4294 6.9070 6.9144 8.7511 8.7654 9.9890 10.0208 10.0239 10.0262 k = 0.3519 0.2007-0.0000 ( 4600 PWs) bands (ev): -8.3723 -8.3723 -7.0313 -7.0283 -6.6046 -6.6009 -1.5472 -1.5438 1.4486 1.4522 1.8432 1.8587 2.0245 2.0404 2.4519 2.4601 2.7633 2.8659 2.9666 3.0392 3.0562 3.0564 3.2651 3.2671 4.2087 4.2230 4.3698 4.3779 4.4258 4.4659 4.4848 4.5262 4.8389 4.8431 4.9565 4.9853 5.2589 5.3434 5.8360 5.8608 5.8650 5.9108 6.4308 6.4399 6.9093 6.9173 8.8080 8.8244 9.9381 9.9722 10.0271 10.0289 k = 0.3333 0.1901-0.0000 ( 4596 PWs) bands (ev): -8.3811 -8.3810 -7.0194 -7.0161 -6.6003 -6.5963 -1.5572 -1.5536 1.4389 1.4416 1.8065 1.8220 2.0234 2.0411 2.4939 2.4970 2.7353 2.8399 2.9703 3.0397 3.0563 3.0568 3.2645 3.2669 4.2293 4.2423 4.3696 4.3790 4.4234 4.4631 4.4897 4.5320 4.8192 4.8198 4.9259 4.9530 5.2903 5.3715 5.8253 5.8462 5.9167 5.9561 6.4408 6.4525 6.9118 6.9204 8.8633 8.8815 9.8883 9.9241 10.0335 10.0346 k = 0.3148 0.1796 0.0000 ( 4596 PWs) bands (ev): -8.3902 -8.3902 -7.0070 -7.0034 -6.5956 -6.5913 -1.5679 -1.5641 1.4318 1.4330 1.7669 1.7833 2.0230 2.0422 2.5313 2.5344 2.7060 2.8128 2.9751 3.0404 3.0564 3.0573 3.2640 3.2667 4.2503 4.2608 4.3695 4.3801 4.4223 4.4606 4.4950 4.5381 4.7972 4.7993 4.8967 4.9216 5.3239 5.4014 5.8106 5.8306 5.9698 6.0045 6.4524 6.4677 6.9145 6.9235 8.9127 8.9325 9.8449 9.8824 10.0403 10.0410 k = 0.2963 0.1690-0.0000 ( 4596 PWs) bands (ev): -8.3997 -8.3996 -6.9941 -6.9903 -6.5904 -6.5859 -1.5791 -1.5752 1.4266 1.4276 1.7254 1.7436 2.0229 2.0435 2.5587 2.5670 2.6817 2.7894 2.9803 3.0411 3.0566 3.0581 3.2635 3.2666 4.2710 4.2778 4.3695 4.3809 4.4228 4.4584 4.5009 4.5445 4.7752 4.7789 4.8697 4.8917 5.3598 5.4333 5.7942 5.8142 6.0235 6.0528 6.4659 6.4858 6.9174 6.9266 8.9513 8.9721 9.8121 9.8512 10.0473 10.0479 k = 0.2778 0.1584-0.0000 ( 4584 PWs) bands (ev): -8.4093 -8.4092 -6.9811 -6.9771 -6.5849 -6.5801 -1.5907 -1.5868 1.4224 1.4267 1.6829 1.7042 2.0231 2.0449 2.5724 2.5735 2.6798 2.7762 2.9855 3.0418 3.0569 3.0589 3.2630 3.2665 4.2909 4.2927 4.3696 4.3815 4.4253 4.4565 4.5074 4.5512 4.7539 4.7578 4.8458 4.8642 5.3979 5.4671 5.7771 5.7972 6.0768 6.0996 6.4813 6.5071 6.9205 6.9297 8.9739 8.9949 9.7943 9.8343 10.0544 10.0550 k = 0.2593 0.1479-0.0000 ( 4586 PWs) bands (ev): -8.4189 -8.4188 -6.9681 -6.9641 -6.5790 -6.5741 -1.6025 -1.5986 1.4199 1.4292 1.6401 1.6663 2.0233 2.0465 2.5476 2.5661 2.7063 2.7795 2.9905 3.0424 3.0572 3.0599 3.2626 3.2663 4.3049 4.3093 4.3699 4.3820 4.4297 4.4551 4.5146 4.5582 4.7332 4.7359 4.8254 4.8392 5.4379 5.5026 5.7595 5.7798 6.1293 6.1438 6.4987 6.5319 6.9237 6.9327 8.9767 8.9968 9.7945 9.8349 10.0616 10.0623 k = 0.2407 0.1373-0.0000 ( 4574 PWs) bands (ev): -8.4284 -8.4283 -6.9554 -6.9513 -6.5729 -6.5679 -1.6144 -1.6106 1.4183 1.4350 1.5979 1.6315 2.0234 2.0481 2.5076 2.5413 2.7428 2.7976 2.9953 3.0430 3.0575 3.0608 3.2623 3.2662 4.3144 4.3259 4.3705 4.3824 4.4357 4.4540 4.5225 4.5655 4.7132 4.7139 4.8083 4.8173 5.4798 5.5395 5.7419 5.7626 6.1802 6.1852 6.5183 6.5600 6.9270 6.9357 8.9583 8.9767 9.8129 9.8534 10.0687 10.0697 k = 0.2222 0.1268-0.0000 ( 4566 PWs) bands (ev): -8.4376 -8.4376 -6.9430 -6.9389 -6.5665 -6.5616 -1.6262 -1.6225 1.4163 1.4441 1.5569 1.6016 2.0232 2.0498 2.4620 2.5049 2.7807 2.8237 3.0000 3.0438 3.0579 3.0617 3.2620 3.2661 4.3213 4.3399 4.3713 4.3830 4.4428 4.4534 4.5309 4.5728 4.6924 4.6940 4.7943 4.7985 5.5230 5.5771 5.7245 5.7458 6.2236 6.2297 6.5397 6.5910 6.9304 6.9385 8.9207 8.9372 9.8462 9.8872 10.0759 10.0773 k = 0.2037 0.1162-0.0000 ( 4560 PWs) bands (ev): -8.4465 -8.4465 -6.9313 -6.9272 -6.5600 -6.5552 -1.6378 -1.6343 1.4115 1.4558 1.5184 1.5796 2.0227 2.0515 2.4132 2.4620 2.8172 2.8525 3.0048 3.0447 3.0584 3.0626 3.2618 3.2660 4.3261 4.3511 4.3726 4.3837 4.4502 4.4532 4.5397 4.5801 4.6721 4.6757 4.7827 4.7828 5.5669 5.6142 5.7075 5.7303 6.2597 6.2775 6.5624 6.6240 6.9339 6.9413 8.8678 8.8826 9.8896 9.9318 10.0832 10.0853 k = 0.1852 0.1056-0.0000 ( 4552 PWs) bands (ev): -8.4549 -8.4549 -6.9201 -6.9162 -6.5536 -6.5489 -1.6490 -1.6457 1.4018 1.4629 1.4898 1.5679 2.0217 2.0532 2.3625 2.4157 2.8513 2.8809 3.0098 3.0460 3.0588 3.0633 3.2617 3.2658 4.3294 4.3590 4.3748 4.3845 4.4534 4.4572 4.5488 4.5872 4.6535 4.6587 4.7701 4.7733 5.6107 5.6478 5.6915 5.7187 6.2940 6.3243 6.5858 6.6578 6.9376 6.9439 8.8040 8.8174 9.9378 9.9823 10.0913 10.0942 k = 0.1667 0.0951-0.0000 ( 4556 PWs) bands (ev): -8.4628 -8.4628 -6.9098 -6.9061 -6.5472 -6.5427 -1.6596 -1.6565 1.3866 1.4384 1.4986 1.5674 2.0198 2.0548 2.3105 2.3679 2.8821 2.9072 3.0154 3.0479 3.0593 3.0638 3.2616 3.2657 4.3316 4.3634 4.3779 4.3854 4.4539 4.4632 4.5575 4.5935 4.6373 4.6433 4.7600 4.7656 5.6522 5.6674 5.6778 5.7205 6.3277 6.3705 6.6087 6.6912 6.9413 6.9465 8.7330 8.7456 9.9861 10.0324 10.1027 10.1051 k = 0.1481 0.0845-0.0000 ( 4546 PWs) bands (ev): -8.4701 -8.4701 -6.9004 -6.8969 -6.5410 -6.5368 -1.6695 -1.6667 1.3676 1.4070 1.5202 1.5766 2.0169 2.0563 2.2581 2.3198 2.9091 2.9300 3.0221 3.0505 3.0598 3.0642 3.2616 3.2655 4.3334 4.3654 4.3814 4.3864 4.4548 4.4682 4.5653 4.5982 4.6240 4.6303 4.7525 4.7595 5.6591 5.6651 5.6980 5.7433 6.3615 6.4167 6.6303 6.7227 6.9451 6.9490 8.6584 8.6705 10.0289 10.0699 10.1211 10.1264 k = 0.1296 0.0739-0.0000 ( 4546 PWs) bands (ev): -8.4767 -8.4767 -6.8919 -6.8887 -6.5351 -6.5314 -1.6786 -1.6761 1.3473 1.3775 1.5460 1.5931 2.0123 2.0574 2.2058 2.2728 2.9318 2.9485 3.0302 3.0541 3.0604 3.0645 3.2616 3.2653 4.3348 4.3658 4.3843 4.3873 4.4559 4.4720 4.5710 4.5990 4.6144 4.6220 4.7470 4.7546 5.6469 5.6548 5.7358 5.7723 6.3960 6.4636 6.6492 6.7512 6.9490 6.9513 8.5832 8.5950 10.0598 10.0868 10.1463 10.1679 k = 0.1111 0.0634-0.0000 ( 4546 PWs) bands (ev): -8.4826 -8.4826 -6.8844 -6.8816 -6.5297 -6.5264 -1.6867 -1.6845 1.3276 1.3510 1.5750 1.6150 2.0052 2.0575 2.1548 2.2283 2.9501 2.9625 3.0398 3.0589 3.0609 3.0647 3.2617 3.2651 4.3363 4.3653 4.3865 4.3882 4.4574 4.4746 4.5731 4.5937 4.6098 4.6206 4.7433 4.7509 5.6355 5.6435 5.7706 5.8000 6.4317 6.5109 6.6646 6.7753 6.9527 6.9536 8.5102 8.5216 10.0779 10.0946 10.1806 10.2136 k = 0.0926 0.0528-0.0000 ( 4539 PWs) bands (ev): -8.4876 -8.4876 -6.8780 -6.8756 -6.5249 -6.5220 -1.6937 -1.6919 1.3099 1.3280 1.6066 1.6408 1.9944 2.0535 2.1090 2.1881 2.9639 2.9723 3.0501 3.0616 3.0640 3.0652 3.2619 3.2648 4.3378 4.3639 4.3881 4.3891 4.4592 4.4762 4.5715 4.5857 4.6103 4.6224 4.7411 4.7480 5.6256 5.6329 5.8011 5.8242 6.4682 6.5583 6.6757 6.7939 6.9558 6.9562 8.4421 8.4529 10.0883 10.0993 10.2176 10.2557 k = 0.0741 0.0423-0.0000 ( 4535 PWs) bands (ev): -8.4918 -8.4918 -6.8726 -6.8707 -6.5207 -6.5183 -1.6996 -1.6981 1.2949 1.3086 1.6403 1.6693 1.9787 2.0316 2.0828 2.1542 2.9737 2.9789 3.0590 3.0634 3.0645 3.0707 3.2621 3.2645 4.3397 4.3617 4.3894 4.3899 4.4613 4.4767 4.5680 4.5779 4.6135 4.6247 4.7400 4.7458 5.6174 5.6237 5.8266 5.8442 6.5050 6.6039 6.6827 6.8057 6.9578 6.9592 8.3816 8.3914 10.0949 10.1026 10.2527 10.2909 k = 0.0556 0.0317-0.0000 ( 4525 PWs) bands (ev): -8.4950 -8.4950 -6.8684 -6.8669 -6.5172 -6.5154 -1.7042 -1.7030 1.2831 1.2930 1.6753 1.6991 1.9576 1.9912 2.0781 2.1281 2.9803 2.9832 3.0617 3.0643 3.0703 3.0764 3.2623 3.2642 4.3418 4.3591 4.3903 4.3906 4.4638 4.4765 4.5646 4.5713 4.6174 4.6263 4.7396 4.7442 5.6111 5.6160 5.8469 5.8595 6.5410 6.6426 6.6890 6.8099 6.9597 6.9615 8.3314 8.3396 10.0996 10.1048 10.2836 10.3175 k = 0.0370 0.0211-0.0000 ( 4513 PWs) bands (ev): -8.4974 -8.4974 -6.8653 -6.8643 -6.5146 -6.5134 -1.7074 -1.7067 1.2749 1.2813 1.7098 1.7278 1.9330 1.9500 2.0794 2.1095 2.9845 2.9859 3.0624 3.0641 3.0771 3.0808 3.2626 3.2639 4.3442 4.3561 4.3910 4.3912 4.4664 4.4755 4.5621 4.5663 4.6210 4.6272 4.7398 4.7429 5.6068 5.6102 5.8619 5.8699 6.5749 6.6570 6.7098 6.8055 6.9614 6.9630 8.2940 8.3000 10.1028 10.1061 10.3090 10.3344 k = 0.0185 0.0106-0.0000 ( 4517 PWs) bands (ev): -8.4988 -8.4988 -6.8633 -6.8628 -6.5129 -6.5123 -1.7094 -1.7090 1.2705 1.2737 1.7398 1.7502 1.9108 1.9169 2.0829 2.0970 2.9868 2.9874 3.0630 3.0638 3.0817 3.0835 3.2629 3.2635 4.3469 4.3529 4.3914 4.3914 4.4691 4.4738 4.5608 4.5627 4.6239 4.6271 4.7403 4.7418 5.6046 5.6063 5.8715 5.8755 6.6051 6.6486 6.7418 6.7924 6.9627 6.9637 8.2714 8.2745 10.1049 10.1065 10.3277 10.3414 k = 0.0000 0.0000 0.0000 ( 4519 PWs) bands (ev): -8.4993 -8.4993 -6.8625 -6.8625 -6.5122 -6.5122 -1.7099 -1.7099 1.2701 1.2701 1.7562 1.7562 1.9021 1.9021 2.0886 2.0886 2.9877 2.9877 3.0634 3.0634 3.0838 3.0838 3.2632 3.2632 4.3498 4.3498 4.3915 4.3915 4.4716 4.4716 4.5609 4.5609 4.6260 4.6260 4.7410 4.7410 5.6044 5.6044 5.8761 5.8761 6.6301 6.6301 6.7707 6.7707 6.9635 6.9635 8.2648 8.2648 10.1062 10.1062 10.3389 10.3389 k = 0.0000 0.0000 0.0000 ( 4519 PWs) bands (ev): -8.4993 -8.4993 -6.8625 -6.8625 -6.5122 -6.5122 -1.7099 -1.7099 1.2701 1.2701 1.7562 1.7562 1.9021 1.9021 2.0886 2.0886 2.9877 2.9877 3.0634 3.0634 3.0838 3.0838 3.2632 3.2632 4.3498 4.3498 4.3915 4.3915 4.4716 4.4716 4.5609 4.5609 4.6260 4.6260 4.7410 4.7410 5.6044 5.6044 5.8761 5.8761 6.6301 6.6301 6.7707 6.7707 6.9635 6.9635 8.2648 8.2648 10.1062 10.1062 10.3389 10.3389 k = 0.0087-0.0152 0.0126 ( 4519 PWs) bands (ev): -8.4987 -8.4987 -6.8631 -6.8631 -6.5125 -6.5125 -1.7097 -1.7097 1.2632 1.2632 1.7638 1.7639 1.9039 1.9039 2.0892 2.0892 2.9868 2.9869 3.0627 3.0628 3.0837 3.0838 3.2629 3.2629 4.3490 4.3490 4.3916 4.3916 4.4712 4.4713 4.5615 4.5616 4.6259 4.6259 4.7433 4.7434 5.6054 5.6054 5.8710 5.8710 6.6293 6.6293 6.7716 6.7716 6.9609 6.9609 8.2691 8.2691 10.1092 10.1092 10.3416 10.3416 k = 0.0173-0.0304 0.0253 ( 4515 PWs) bands (ev): -8.4970 -8.4970 -6.8649 -6.8649 -6.5137 -6.5137 -1.7091 -1.7091 1.2438 1.2438 1.7854 1.7856 1.9093 1.9094 2.0909 2.0909 2.9843 2.9843 3.0608 3.0609 3.0837 3.0838 3.2618 3.2619 4.3467 4.3468 4.3919 4.3919 4.4702 4.4703 4.5632 4.5635 4.6257 4.6259 4.7503 4.7504 5.6083 5.6083 5.8564 5.8564 6.6259 6.6260 6.7747 6.7747 6.9531 6.9531 8.2818 8.2818 10.1182 10.1182 10.3497 10.3497 k = 0.0260-0.0456 0.0379 ( 4515 PWs) bands (ev): -8.4940 -8.4940 -6.8680 -6.8680 -6.5155 -6.5155 -1.7082 -1.7082 1.2149 1.2149 1.8176 1.8179 1.9185 1.9187 2.0939 2.0939 2.9796 2.9797 3.0577 3.0578 3.0839 3.0841 3.2602 3.2602 4.3431 4.3432 4.3924 4.3924 4.4686 4.4688 4.5657 4.5661 4.6259 4.6261 4.7617 4.7619 5.6132 5.6132 5.8332 5.8332 6.6186 6.6187 6.7806 6.7806 6.9404 6.9404 8.3028 8.3028 10.1330 10.1330 10.3630 10.3630 k = 0.0347-0.0608 0.0505 ( 4517 PWs) bands (ev): -8.4899 -8.4899 -6.8722 -6.8722 -6.5182 -6.5182 -1.7068 -1.7068 1.1797 1.1797 1.8564 1.8569 1.9318 1.9322 2.0985 2.0985 2.9723 2.9724 3.0538 3.0540 3.0847 3.0849 3.2578 3.2579 4.3384 4.3386 4.3930 4.3930 4.4665 4.4667 4.5688 4.5692 4.6266 4.6268 4.7772 4.7774 5.6200 5.6200 5.8028 5.8029 6.6058 6.6059 6.7893 6.7894 6.9234 6.9235 8.3316 8.3316 10.1533 10.1533 10.3813 10.3813 k = 0.0434-0.0760 0.0632 ( 4527 PWs) bands (ev): -8.4847 -8.4847 -6.8776 -6.8776 -6.5215 -6.5215 -1.7051 -1.7051 1.1408 1.1409 1.8970 1.8977 1.9508 1.9513 2.1051 2.1051 2.9617 2.9618 3.0498 3.0500 3.0860 3.0863 3.2549 3.2549 4.3328 4.3330 4.3936 4.3937 4.4642 4.4644 4.5717 4.5722 4.6283 4.6285 4.7965 4.7968 5.6284 5.6285 5.7671 5.7671 6.5869 6.5869 6.7998 6.7998 6.9033 6.9033 8.3677 8.3677 10.1784 10.1784 10.4042 10.4042 k = 0.0520-0.0912 0.0758 ( 4519 PWs) bands (ev): -8.4784 -8.4784 -6.8841 -6.8841 -6.5256 -6.5256 -1.7029 -1.7029 1.1001 1.1002 1.9322 1.9329 1.9801 1.9807 2.1144 2.1145 2.9472 2.9473 3.0462 3.0465 3.0879 3.0882 3.2514 3.2514 4.3268 4.3270 4.3943 4.3943 4.4619 4.4621 4.5742 4.5746 4.6314 4.6317 4.8197 4.8199 5.6380 5.6382 5.7280 5.7281 6.5620 6.5621 6.8081 6.8081 6.8831 6.8831 8.4102 8.4102 10.2080 10.2080 10.4314 10.4314 k = 0.0607-0.1064 0.0884 ( 4523 PWs) bands (ev): -8.4710 -8.4710 -6.8916 -6.8916 -6.5305 -6.5305 -1.7001 -1.7001 1.0589 1.0589 1.9579 1.9584 2.0207 2.0211 2.1279 2.1280 2.9287 2.9288 3.0433 3.0436 3.0903 3.0906 3.2473 3.2473 4.3204 4.3206 4.3948 4.3949 4.4597 4.4598 4.5757 4.5761 4.6361 4.6364 4.8462 4.8465 5.6456 5.6459 5.6899 5.6901 6.5318 6.5319 6.8053 6.8054 6.8710 6.8710 8.4584 8.4584 10.2413 10.2413 10.4622 10.4622 k = 0.0694-0.1216 0.1011 ( 4519 PWs) bands (ev): -8.4625 -8.4625 -6.9001 -6.9001 -6.5360 -6.5360 -1.6969 -1.6969 1.0180 1.0181 1.9783 1.9786 2.0647 2.0648 2.1480 2.1481 2.9062 2.9063 3.0413 3.0416 3.0933 3.0936 3.2427 3.2428 4.3138 4.3141 4.3953 4.3954 4.4577 4.4579 4.5762 4.5766 4.6422 4.6425 4.8761 4.8764 5.6283 5.6286 5.6771 5.6773 6.4969 6.4970 6.7844 6.7844 6.8735 6.8735 8.5110 8.5111 10.2775 10.2775 10.4958 10.4959 k = 0.0780-0.1368 0.1137 ( 4523 PWs) bands (ev): -8.4531 -8.4531 -6.9095 -6.9095 -6.5423 -6.5423 -1.6931 -1.6931 0.9782 0.9783 1.9958 1.9960 2.1051 2.1052 2.1778 2.1780 2.8800 2.8801 3.0398 3.0402 3.0968 3.0971 3.2377 3.2378 4.3073 4.3075 4.3957 4.3958 4.4563 4.4564 4.5757 4.5760 4.6497 4.6499 4.9092 4.9094 5.5872 5.5873 5.6893 5.6894 6.4581 6.4581 6.7522 6.7523 6.8832 6.8833 8.5670 8.5670 10.3159 10.3159 10.5306 10.5306 k = 0.0867-0.1520 0.1263 ( 4527 PWs) bands (ev): -8.4428 -8.4428 -6.9196 -6.9196 -6.5493 -6.5493 -1.6886 -1.6886 0.9399 0.9399 2.0107 2.0109 2.1400 2.1402 2.2182 2.2184 2.8504 2.8506 3.0390 3.0393 3.1007 3.1011 3.2323 3.2324 4.3009 4.3011 4.3958 4.3960 4.4553 4.4555 4.5744 4.5747 4.6581 4.6583 4.9453 4.9455 5.5427 5.5428 5.7066 5.7067 6.4159 6.4159 6.7148 6.7149 6.8943 6.8944 8.6250 8.6250 10.3557 10.3557 10.5574 10.5574 k = 0.0954-0.1672 0.1390 ( 4531 PWs) bands (ev): -8.4316 -8.4316 -6.9305 -6.9305 -6.5570 -6.5570 -1.6836 -1.6836 0.9034 0.9035 2.0233 2.0234 2.1724 2.1726 2.2652 2.2654 2.8180 2.8181 3.0385 3.0388 3.1051 3.1055 3.2265 3.2266 4.2948 4.2951 4.3959 4.3960 4.4549 4.4551 4.5724 4.5727 4.6672 4.6674 4.9842 4.9844 5.4981 5.4982 5.7263 5.7264 6.3710 6.3711 6.6743 6.6744 6.9046 6.9046 8.6836 8.6836 10.3959 10.3959 10.5591 10.5592 k = 0.1040-0.1824 0.1516 ( 4539 PWs) bands (ev): -8.4197 -8.4197 -6.9419 -6.9419 -6.5653 -6.5653 -1.6778 -1.6778 0.8691 0.8692 2.0336 2.0336 2.2050 2.2052 2.3147 2.3149 2.7831 2.7833 3.0384 3.0387 3.1099 3.1103 3.2204 3.2206 4.2891 4.2893 4.3959 4.3960 4.4551 4.4553 4.5700 4.5703 4.6768 4.6769 5.0257 5.0258 5.4544 5.4545 5.7480 5.7480 6.3240 6.3241 6.6318 6.6319 6.9131 6.9131 8.7413 8.7413 10.4354 10.4355 10.5547 10.5548 k = 0.1127-0.1976 0.1642 ( 4551 PWs) bands (ev): -8.4070 -8.4070 -6.9538 -6.9538 -6.5744 -6.5744 -1.6714 -1.6714 0.8372 0.8373 2.0421 2.0421 2.2386 2.2388 2.3646 2.3647 2.7465 2.7467 3.0385 3.0388 3.1151 3.1155 3.2141 3.2142 4.2838 4.2840 4.3958 4.3960 4.4558 4.4560 4.5673 4.5676 4.6866 4.6867 5.0694 5.0695 5.4122 5.4123 5.7713 5.7714 6.2755 6.2756 6.5879 6.5880 6.9194 6.9195 8.7967 8.7967 10.4733 10.4733 10.5550 10.5550 k = 0.1214-0.2128 0.1769 ( 4555 PWs) bands (ev): -8.3937 -8.3937 -6.9660 -6.9660 -6.5841 -6.5841 -1.6643 -1.6643 0.8079 0.8080 2.0492 2.0492 2.2724 2.2727 2.4138 2.4138 2.7093 2.7096 3.0389 3.0392 3.1208 3.1212 3.2076 3.2078 4.2790 4.2793 4.3959 4.3961 4.4569 4.4571 4.5643 4.5646 4.6965 4.6966 5.1148 5.1149 5.3720 5.3721 5.7963 5.7963 6.2262 6.2263 6.5431 6.5432 6.9234 6.9234 8.8483 8.8483 10.5078 10.5078 10.5628 10.5629 k = 0.1301-0.2280 0.1895 ( 4571 PWs) bands (ev): -8.3799 -8.3799 -6.9783 -6.9783 -6.5944 -6.5944 -1.6564 -1.6564 0.7813 0.7814 2.0553 2.0553 2.3049 2.3051 2.4614 2.4614 2.6732 2.6735 3.0395 3.0399 3.1267 3.1271 3.2010 3.2011 4.2748 4.2751 4.3960 4.3962 4.4584 4.4586 4.5612 4.5615 4.7062 4.7063 5.1610 5.1611 5.3347 5.3348 5.8228 5.8228 6.1769 6.1769 6.4979 6.4980 6.9248 6.9249 8.8949 8.8950 10.5376 10.5376 10.5797 10.5798 k = 0.1387-0.2432 0.2021 ( 4587 PWs) bands (ev): -8.3658 -8.3658 -6.9907 -6.9907 -6.6053 -6.6053 -1.6479 -1.6479 0.7575 0.7576 2.0605 2.0605 2.3329 2.3332 2.5069 2.5070 2.6411 2.6415 3.0403 3.0407 3.1328 3.1332 3.1943 3.1945 4.2714 4.2716 4.3962 4.3964 4.4602 4.4604 4.5580 4.5582 4.7157 4.7157 5.2053 5.2055 5.3025 5.3027 5.8507 5.8507 6.1281 6.1282 6.4526 6.4526 6.9237 6.9237 8.9355 8.9355 10.5641 10.5641 10.6037 10.6038 k = 0.1474-0.2584 0.2148 ( 4589 PWs) bands (ev): -8.3513 -8.3513 -7.0029 -7.0029 -6.6168 -6.6168 -1.6386 -1.6386 0.7367 0.7368 2.0650 2.0650 2.3517 2.3520 2.5491 2.5493 2.6188 2.6193 3.0414 3.0418 3.1391 3.1395 3.1877 3.1879 4.2686 4.2689 4.3967 4.3968 4.4622 4.4624 4.5548 4.5551 4.7247 4.7247 5.2326 5.2330 5.2899 5.2904 5.8799 5.8799 6.0812 6.0813 6.4075 6.4075 6.9198 6.9198 8.9693 8.9693 10.5903 10.5904 10.6295 10.6296 k = 0.1561-0.2736 0.2274 ( 4575 PWs) bands (ev): -8.3368 -8.3368 -7.0147 -7.0147 -6.6288 -6.6288 -1.6287 -1.6287 0.7189 0.7190 2.0689 2.0689 2.3546 2.3549 2.5839 2.5842 2.6167 2.6174 3.0428 3.0432 3.1454 3.1459 3.1814 3.1817 4.2667 4.2669 4.3974 4.3976 4.4644 4.4647 4.5517 4.5520 4.7329 4.7329 5.2195 5.2198 5.3201 5.3204 5.9103 5.9104 6.0374 6.0375 6.3629 6.3630 6.9133 6.9133 8.9959 8.9959 10.6139 10.6140 10.6297 10.6298 k = 0.1647-0.2888 0.2400 ( 4583 PWs) bands (ev): -8.3222 -8.3222 -7.0261 -7.0261 -6.6414 -6.6414 -1.6181 -1.6181 0.7042 0.7042 2.0722 2.0722 2.3387 2.3391 2.6066 2.6066 2.6424 2.6428 3.0444 3.0448 3.1512 3.1516 3.1758 3.1761 4.2654 4.2657 4.3982 4.3984 4.4668 4.4670 4.5486 4.5489 4.7397 4.7398 5.1960 5.1963 5.3610 5.3612 5.9418 5.9418 5.9986 5.9987 6.3191 6.3192 6.9040 6.9040 9.0152 9.0152 10.5524 10.5524 10.6412 10.6413 k = 0.1734-0.3040 0.2527 ( 4579 PWs) bands (ev): -8.3078 -8.3078 -7.0367 -7.0367 -6.6545 -6.6545 -1.6069 -1.6069 0.6926 0.6927 2.0749 2.0749 2.3079 2.3082 2.6320 2.6321 2.6767 2.6769 3.0464 3.0467 3.1549 3.1553 3.1723 3.1727 4.2650 4.2652 4.3993 4.3995 4.4692 4.4694 4.5456 4.5459 4.7449 4.7450 5.1744 5.1746 5.3988 5.3989 5.9658 5.9658 5.9757 5.9758 6.2764 6.2765 6.8921 6.8921 9.0273 9.0273 10.4667 10.4667 10.6585 10.6586 k = 0.1821-0.3192 0.2653 ( 4579 PWs) bands (ev): -8.2937 -8.2937 -7.0464 -7.0464 -6.6680 -6.6680 -1.5952 -1.5952 0.6842 0.6843 2.0768 2.0768 2.2680 2.2682 2.6633 2.6635 2.7104 2.7105 3.0487 3.0490 3.1541 3.1543 3.1737 3.1740 4.2652 4.2655 4.4006 4.4008 4.4717 4.4719 4.5428 4.5430 4.7478 4.7479 5.1568 5.1570 5.4283 5.4285 5.9460 5.9460 6.0081 6.0082 6.2350 6.2350 6.8775 6.8775 9.0327 9.0327 10.3757 10.3757 10.6697 10.6697 k = 0.1908-0.3344 0.2780 ( 4575 PWs) bands (ev): -8.2802 -8.2802 -7.0549 -7.0549 -6.6820 -6.6820 -1.5831 -1.5831 0.6791 0.6791 2.0775 2.0775 2.2235 2.2238 2.6976 2.6979 2.7423 2.7424 3.0513 3.0516 3.1497 3.1498 3.1787 3.1789 4.2662 4.2665 4.4021 4.4023 4.4742 4.4744 4.5400 4.5403 4.7479 4.7480 5.1444 5.1446 5.4459 5.4460 5.9391 5.9392 6.0423 6.0423 6.1951 6.1951 6.8603 6.8603 9.0318 9.0318 10.2817 10.2817 10.6750 10.6751 k = 0.1994-0.3496 0.2906 ( 4577 PWs) bands (ev): -8.2673 -8.2673 -7.0622 -7.0622 -6.6963 -6.6963 -1.5706 -1.5706 0.6771 0.6771 2.0760 2.0760 2.1782 2.1784 2.7322 2.7326 2.7723 2.7725 3.0543 3.0546 3.1442 3.1443 3.1847 3.1850 4.2679 4.2682 4.4037 4.4039 4.4767 4.4769 4.5374 4.5377 4.7447 4.7448 5.1379 5.1380 5.4492 5.4493 5.9479 5.9480 6.0769 6.0769 6.1571 6.1572 6.8406 6.8406 9.0250 9.0250 10.1865 10.1865 10.6750 10.6750 k = 0.2081-0.3648 0.3032 ( 4581 PWs) bands (ev): -8.2552 -8.2552 -7.0680 -7.0680 -6.7110 -6.7110 -1.5578 -1.5578 0.6783 0.6784 2.0684 2.0684 2.1372 2.1374 2.7650 2.7657 2.8010 2.8015 3.0576 3.0579 3.1385 3.1386 3.1910 3.1913 4.2702 4.2706 4.4053 4.4055 4.4791 4.4794 4.5349 4.5352 4.7381 4.7381 5.1377 5.1378 5.4390 5.4391 5.9711 5.9712 6.1079 6.1080 6.1255 6.1256 6.8185 6.8185 9.0130 9.0130 10.0912 10.0912 10.6701 10.6702 k = 0.2168-0.3800 0.3159 ( 4581 PWs) bands (ev): -8.2441 -8.2441 -7.0720 -7.0720 -6.7260 -6.7260 -1.5448 -1.5448 0.6828 0.6828 2.0446 2.0446 2.1115 2.1117 2.7942 2.7950 2.8295 2.8302 3.0613 3.0615 3.1328 3.1329 3.1972 3.1975 4.2731 4.2735 4.4069 4.4071 4.4816 4.4818 4.5325 4.5328 4.7281 4.7282 5.1438 5.1439 5.4182 5.4183 6.0041 6.0042 6.0865 6.0867 6.1504 6.1504 6.7940 6.7940 8.9963 8.9963 9.9971 9.9971 10.6608 10.6608 k = 0.2254-0.3952 0.3285 ( 4579 PWs) bands (ev): -8.2342 -8.2342 -7.0742 -7.0742 -6.7412 -6.7412 -1.5319 -1.5319 0.6905 0.6905 2.0042 2.0043 2.1022 2.1023 2.8187 2.8195 2.8585 2.8592 3.0652 3.0654 3.1273 3.1274 3.2032 3.2035 4.2765 4.2769 4.4085 4.4087 4.4839 4.4842 4.5302 4.5305 4.7153 4.7154 5.1560 5.1561 5.3902 5.3903 6.0298 6.0301 6.0713 6.0716 6.1863 6.1863 6.7672 6.7672 8.9753 8.9753 9.9051 9.9051 10.6475 10.6475 k = 0.2341-0.4104 0.3411 ( 4585 PWs) bands (ev): -8.2255 -8.2255 -7.0744 -7.0744 -6.7566 -6.7566 -1.5190 -1.5190 0.7013 0.7013 1.9582 1.9583 2.0989 2.0990 2.8385 2.8393 2.8872 2.8879 3.0692 3.0694 3.1220 3.1221 3.2088 3.2091 4.2803 4.2807 4.4098 4.4099 4.4862 4.4864 4.5278 4.5282 4.7004 4.7004 5.1736 5.1737 5.3582 5.3583 6.0127 6.0128 6.1051 6.1052 6.2229 6.2229 6.7382 6.7382 8.9507 8.9507 9.8164 9.8164 10.6307 10.6307 k = 0.2428-0.4256 0.3538 ( 4563 PWs) bands (ev): -8.2182 -8.2182 -7.0725 -7.0725 -6.7722 -6.7722 -1.5063 -1.5063 0.7153 0.7153 1.9114 1.9115 2.0973 2.0973 2.8545 2.8553 2.9147 2.9153 3.0732 3.0733 3.1172 3.1174 3.2141 3.2143 4.2845 4.2848 4.4108 4.4109 4.4882 4.4884 4.5256 4.5259 4.6842 4.6842 5.1958 5.1958 5.3247 5.3247 5.9863 5.9863 6.1517 6.1518 6.2599 6.2600 6.7073 6.7073 8.9228 8.9228 9.7318 9.7318 10.6108 10.6108 k = 0.2514-0.4408 0.3664 ( 4559 PWs) bands (ev): -8.2124 -8.2124 -7.0684 -7.0684 -6.7879 -6.7879 -1.4941 -1.4941 0.7323 0.7323 1.8653 1.8654 2.0960 2.0961 2.8674 2.8681 2.9400 2.9407 3.0768 3.0769 3.1127 3.1129 3.2189 3.2191 4.2887 4.2891 4.4112 4.4114 4.4899 4.4901 4.5233 4.5236 4.6675 4.6676 5.2201 5.2202 5.2928 5.2928 5.9606 5.9607 6.1990 6.1991 6.2970 6.2971 6.6744 6.6744 8.8923 8.8924 9.6525 9.6525 10.5883 10.5883 k = 0.2601-0.4560 0.3790 ( 4553 PWs) bands (ev): -8.2082 -8.2082 -7.0621 -7.0621 -6.8037 -6.8037 -1.4823 -1.4823 0.7524 0.7524 1.8207 1.8207 2.0948 2.0948 2.8777 2.8783 2.9628 2.9634 3.0798 3.0800 3.1088 3.1089 3.2232 3.2234 4.2931 4.2934 4.4110 4.4111 4.4910 4.4912 4.5210 4.5213 4.6513 4.6513 5.2321 5.2322 5.2775 5.2776 5.9370 5.9370 6.2442 6.2443 6.3342 6.3342 6.6398 6.6398 8.8598 8.8598 9.5794 9.5794 10.5636 10.5636 k = 0.2688-0.4712 0.3917 ( 4563 PWs) bands (ev): -8.2054 -8.2054 -7.0536 -7.0536 -6.8195 -6.8195 -1.4713 -1.4713 0.7754 0.7755 1.7780 1.7780 2.0934 2.0934 2.8856 2.8862 2.9826 2.9832 3.0819 3.0820 3.1055 3.1056 3.2270 3.2272 4.2972 4.2976 4.4097 4.4099 4.4912 4.4914 4.5188 4.5191 4.6363 4.6364 5.2100 5.2101 5.3008 5.3009 5.9155 5.9155 6.2857 6.2857 6.3710 6.3710 6.6037 6.6037 8.8258 8.8259 9.5135 9.5136 10.5371 10.5371 k = 0.2775-0.4864 0.4043 ( 4555 PWs) bands (ev): -8.2042 -8.2042 -7.0429 -7.0429 -6.8352 -6.8352 -1.4610 -1.4610 0.8014 0.8014 1.7376 1.7376 2.0918 2.0918 2.8915 2.8921 2.9994 3.0000 3.0826 3.0828 3.1031 3.1032 3.2304 3.2306 4.3012 4.3015 4.4074 4.4076 4.4901 4.4904 4.5170 4.5173 4.6234 4.6235 5.1799 5.1801 5.3366 5.3367 5.8965 5.8965 6.3221 6.3221 6.4073 6.4073 6.5663 6.5663 8.7910 8.7910 9.4561 9.4561 10.5092 10.5092 k = 0.2861-0.5016 0.4169 ( 4559 PWs) bands (ev): -8.2044 -8.2044 -7.0301 -7.0301 -6.8509 -6.8509 -1.4517 -1.4517 0.8302 0.8302 1.6997 1.6998 2.0899 2.0900 2.8954 2.8960 3.0131 3.0138 3.0818 3.0820 3.1014 3.1015 3.2333 3.2335 4.3045 4.3048 4.4038 4.4040 4.4877 4.4881 4.5157 4.5160 4.6131 4.6134 5.1503 5.1505 5.3763 5.3764 5.8799 5.8799 6.3522 6.3522 6.4425 6.4425 6.5283 6.5283 8.7560 8.7560 9.4079 9.4079 10.4803 10.4804 k = 0.2948-0.5168 0.4296 ( 4553 PWs) bands (ev): -8.2060 -8.2060 -7.0154 -7.0154 -6.8664 -6.8664 -1.4435 -1.4435 0.8617 0.8617 1.6648 1.6648 2.0878 2.0878 2.8975 2.8981 3.0237 3.0244 3.0798 3.0799 3.1002 3.1004 3.2359 3.2360 4.3068 4.3072 4.3990 4.3992 4.4842 4.4846 4.5149 4.5152 4.6060 4.6063 5.1225 5.1227 5.4183 5.4183 5.8658 5.8658 6.3742 6.3743 6.4746 6.4747 6.4924 6.4925 8.7213 8.7213 9.3699 9.3700 10.4508 10.4508 k = 0.3035-0.5320 0.4422 ( 4567 PWs) bands (ev): -8.2089 -8.2089 -6.9988 -6.9988 -6.8817 -6.8817 -1.4365 -1.4365 0.8959 0.8959 1.6327 1.6328 2.0854 2.0854 2.8978 2.8983 3.0314 3.0321 3.0769 3.0771 3.0990 3.0992 3.2381 3.2383 4.3076 4.3079 4.3932 4.3935 4.4800 4.4804 4.5141 4.5145 4.6018 4.6022 5.0970 5.0971 5.4615 5.4615 5.8541 5.8542 6.3842 6.3843 6.4554 6.4554 6.5106 6.5106 8.6876 8.6876 9.3430 9.3430 10.4208 10.4208 k = 0.3035-0.5320 0.4422 ( 4567 PWs) bands (ev): -8.2089 -8.2089 -6.9988 -6.9988 -6.8817 -6.8817 -1.4365 -1.4365 0.8959 0.8959 1.6327 1.6328 2.0854 2.0854 2.8978 2.8983 3.0314 3.0321 3.0769 3.0771 3.0990 3.0992 3.2381 3.2383 4.3076 4.3079 4.3932 4.3935 4.4800 4.4804 4.5141 4.5145 4.6018 4.6022 5.0970 5.0971 5.4615 5.4615 5.8541 5.8542 6.3842 6.3843 6.4554 6.4554 6.5106 6.5106 8.6876 8.6876 9.3430 9.3430 10.4208 10.4208 k = 0.3166-0.5163 0.4370 ( 4566 PWs) bands (ev): -8.2077 -8.2077 -7.0066 -7.0064 -6.8745 -6.8743 -1.4399 -1.4398 0.8810 0.8813 1.6474 1.6479 2.0863 2.0865 2.8950 2.8972 3.0276 3.0308 3.0761 3.0802 3.0985 3.1009 3.2365 3.2377 4.3051 4.3090 4.3890 4.4028 4.4782 4.4856 4.5140 4.5153 4.6024 4.6051 5.1013 5.1123 5.4426 5.4460 5.8583 5.8595 6.3612 6.3778 6.4688 6.4830 6.5003 6.5029 8.7033 8.7048 9.3541 9.3542 10.4336 10.4338 k = 0.3297-0.5005 0.4318 ( 4562 PWs) bands (ev): -8.2071 -8.2070 -7.0150 -7.0147 -6.8657 -6.8653 -1.4445 -1.4444 0.8661 0.8667 1.6662 1.6673 2.0872 2.0877 2.8872 2.8922 3.0247 3.0294 3.0752 3.0831 3.0983 3.1023 3.2345 3.2369 4.3011 4.3088 4.3859 4.4110 4.4767 4.4898 4.5141 4.5164 4.6038 4.6099 5.1055 5.1268 5.4251 5.4318 5.8633 5.8658 6.3325 6.3519 6.4734 6.4754 6.5151 6.5329 8.7247 8.7276 9.3696 9.3701 10.4471 10.4475 k = 0.3428-0.4848 0.4266 ( 4565 PWs) bands (ev): -8.2068 -8.2067 -7.0237 -7.0233 -6.8558 -6.8554 -1.4502 -1.4500 0.8518 0.8526 1.6884 1.6900 2.0881 2.0888 2.8755 2.8830 3.0226 3.0280 3.0745 3.0857 3.0985 3.1033 3.2323 3.2357 4.2962 4.3069 4.3840 4.4173 4.4756 4.4929 4.5145 4.5177 4.6063 4.6158 5.1094 5.1400 5.4094 5.4191 5.8694 5.8730 6.3030 6.3220 6.4591 6.4598 6.5496 6.5696 8.7515 8.7555 9.3887 9.3899 10.4611 10.4616 k = 0.3559-0.4690 0.4214 ( 4573 PWs) bands (ev): -8.2068 -8.2068 -7.0322 -7.0319 -6.8453 -6.8449 -1.4568 -1.4566 0.8384 0.8395 1.7132 1.7154 2.0889 2.0898 2.8602 2.8698 3.0211 3.0267 3.0739 3.0879 3.0990 3.1040 3.2297 3.2340 4.2910 4.3035 4.3835 4.4214 4.4752 4.4947 4.5154 4.5191 4.6098 4.6228 5.1131 5.1514 5.3957 5.4082 5.8763 5.8809 6.2737 6.2916 6.4415 6.4434 6.5851 6.6049 8.7832 8.7880 9.4109 9.4130 10.4753 10.4759 k = 0.3690-0.4532 0.4162 ( 4566 PWs) bands (ev): -8.2071 -8.2071 -7.0404 -7.0400 -6.8348 -6.8343 -1.4641 -1.4638 0.8263 0.8276 1.7401 1.7426 2.0896 2.0909 2.8423 2.8534 3.0201 3.0255 3.0735 3.0898 3.0999 3.1045 3.2271 3.2321 4.2856 4.2988 4.3843 4.4236 4.4753 4.4951 4.5170 4.5204 4.6142 4.6303 5.1163 5.1606 5.3845 5.3991 5.8842 5.8896 6.2454 6.2618 6.4233 6.4261 6.6191 6.6380 8.8191 8.8245 9.4353 9.4385 10.4893 10.4899 k = 0.3821-0.4375 0.4110 ( 4566 PWs) bands (ev): -8.2076 -8.2076 -7.0481 -7.0477 -6.8243 -6.8239 -1.4717 -1.4715 0.8156 0.8171 1.7682 1.7710 2.0902 2.0918 2.8224 2.8344 3.0192 3.0243 3.0734 3.0911 3.1010 3.1050 3.2244 3.2299 4.2802 4.2932 4.3859 4.4242 4.4759 4.4946 4.5188 4.5217 4.6192 4.6379 5.1191 5.1672 5.3759 5.3918 5.8927 5.8989 6.2182 6.2331 6.4048 6.4084 6.6509 6.6685 8.8585 8.8641 9.4613 9.4658 10.5028 10.5034 k = 0.3952-0.4217 0.4058 ( 4562 PWs) bands (ev): -8.2083 -8.2082 -7.0552 -7.0548 -6.8143 -6.8139 -1.4795 -1.4793 0.8064 0.8080 1.7969 1.7999 2.0908 2.0927 2.8011 2.8135 3.0183 3.0229 3.0737 3.0918 3.1023 3.1058 3.2216 3.2275 4.2751 4.2872 4.3881 4.4237 4.4765 4.4935 4.5206 4.5228 4.6247 4.6452 5.1214 5.1709 5.3702 5.3864 5.9019 5.9085 6.1927 6.2060 6.3865 6.3905 6.6802 6.6963 8.9003 8.9059 9.4882 9.4941 10.5156 10.5162 k = 0.4083-0.4060 0.4006 ( 4562 PWs) bands (ev): -8.2090 -8.2089 -7.0616 -7.0612 -6.8050 -6.8046 -1.4872 -1.4869 0.7987 0.8002 1.8254 1.8284 2.0913 2.0934 2.7794 2.7917 3.0174 3.0214 3.0742 3.0918 3.1037 3.1068 3.2190 3.2250 4.2703 4.2811 4.3906 4.4225 4.4773 4.4919 4.5222 4.5238 4.6305 4.6518 5.1233 5.1718 5.3672 5.3827 5.9115 5.9184 6.1692 6.1808 6.3686 6.3730 6.7068 6.7211 8.9432 8.9485 9.5156 9.5226 10.5273 10.5279 k = 0.4214-0.3902 0.3954 ( 4558 PWs) bands (ev): -8.2097 -8.2097 -7.0672 -7.0669 -6.7965 -6.7961 -1.4945 -1.4942 0.7923 0.7938 1.8531 1.8559 2.0916 2.0940 2.7579 2.7697 3.0165 3.0198 3.0751 3.0913 3.1052 3.1081 3.2166 3.2224 4.2659 4.2753 4.3934 4.4209 4.4780 4.4903 4.5237 4.5246 4.6364 4.6574 5.1249 5.1703 5.3666 5.3806 5.9212 5.9281 6.1479 6.1580 6.3516 6.3561 6.7303 6.7428 8.9859 8.9906 9.5427 9.5508 10.5378 10.5384 k = 0.4345-0.3745 0.3903 ( 4560 PWs) bands (ev): -8.2104 -8.2104 -7.0720 -7.0717 -6.7890 -6.7887 -1.5011 -1.5009 0.7873 0.7886 1.8789 1.8814 2.0919 2.0944 2.7376 2.7483 3.0155 3.0182 3.0762 3.0904 3.1068 3.1093 3.2145 3.2199 4.2621 4.2700 4.3961 4.4191 4.4786 4.4886 4.5248 4.5253 4.6423 4.6619 5.1265 5.1668 5.3677 5.3795 5.9308 5.9374 6.1293 6.1377 6.3360 6.3403 6.7507 6.7612 9.0264 9.0304 9.5691 9.5778 10.5468 10.5475 k = 0.4476-0.3587 0.3851 ( 4561 PWs) bands (ev): -8.2110 -8.2110 -7.0759 -7.0757 -6.7827 -6.7824 -1.5069 -1.5066 0.7834 0.7845 1.9022 1.9042 2.0921 2.0947 2.7194 2.7286 3.0146 3.0167 3.0774 3.0892 3.1083 3.1105 3.2128 3.2175 4.2590 4.2653 4.3989 4.4171 4.4792 4.4870 4.5257 4.5260 4.6479 4.6651 5.1283 5.1620 5.3698 5.3792 5.9398 5.9457 6.1137 6.1205 6.3222 6.3262 6.7677 6.7762 9.0629 9.0661 9.5940 9.6027 10.5544 10.5551 k = 0.4607-0.3429 0.3799 ( 4569 PWs) bands (ev): -8.2116 -8.2115 -7.0790 -7.0789 -6.7776 -6.7774 -1.5115 -1.5114 0.7805 0.7815 1.9218 1.9233 2.0924 2.0947 2.7041 2.7115 3.0139 3.0153 3.0788 3.0878 3.1096 3.1114 3.2116 3.2153 4.2566 4.2613 4.4015 4.4151 4.4798 4.4855 4.5263 4.5264 4.6531 4.6669 5.1304 5.1566 5.3724 5.3793 5.9477 5.9527 6.1014 6.1066 6.3109 6.3142 6.7813 6.7877 9.0937 9.0960 9.6164 9.6241 10.5602 10.5609 k = 0.4738-0.3272 0.3747 ( 4568 PWs) bands (ev): -8.2120 -8.2119 -7.0813 -7.0812 -6.7739 -6.7738 -1.5150 -1.5149 0.7786 0.7793 1.9367 1.9377 2.0926 2.0944 2.6929 2.6980 3.0133 3.0142 3.0803 3.0864 3.1107 3.1120 3.2109 3.2135 4.2551 4.2582 4.4040 4.4130 4.4804 4.4842 4.5268 4.5268 4.6578 4.6674 5.1332 5.1510 5.3749 5.3794 5.9542 5.9578 6.0926 6.0961 6.3025 6.3049 6.7914 6.7957 9.1170 9.1185 9.6347 9.6406 10.5644 10.5650 k = 0.4869-0.3114 0.3695 ( 4562 PWs) bands (ev): -8.2122 -8.2122 -7.0826 -7.0825 -6.7717 -6.7716 -1.5171 -1.5170 0.7776 0.7779 1.9462 1.9466 2.0930 2.0940 2.6863 2.6890 3.0130 3.0134 3.0818 3.0849 3.1116 3.1123 3.2107 3.2121 4.2545 4.2560 4.4065 4.4109 4.4812 4.4830 4.5270 4.5270 4.6617 4.6666 5.1367 5.1457 5.3770 5.3792 5.9588 5.9606 6.0877 6.0894 6.2975 6.2988 6.7979 6.8001 9.1317 9.1324 9.6474 9.6506 10.5670 10.5673 k = 0.5000-0.2957 0.3643 ( 4562 PWs) bands (ev): -8.2123 -8.2123 -7.0830 -7.0830 -6.7709 -6.7709 -1.5178 -1.5178 0.7774 0.7774 1.9496 1.9496 2.0935 2.0935 2.6850 2.6850 3.0130 3.0130 3.0834 3.0834 3.1122 3.1122 3.2112 3.2112 4.2548 4.2548 4.4088 4.4088 4.4820 4.4820 4.5271 4.5271 4.6647 4.6647 5.1408 5.1408 5.3784 5.3784 5.9610 5.9610 6.0866 6.0866 6.2963 6.2963 6.8008 6.8008 9.1369 9.1369 9.6529 9.6529 10.5680 10.5680 k = 0.5000-0.2957 0.3643 ( 4562 PWs) bands (ev): -8.2123 -8.2123 -7.0830 -7.0830 -6.7709 -6.7709 -1.5178 -1.5178 0.7774 0.7774 1.9496 1.9496 2.0935 2.0935 2.6850 2.6850 3.0130 3.0130 3.0834 3.0834 3.1122 3.1122 3.2112 3.2112 4.2548 4.2548 4.4088 4.4088 4.4820 4.4820 4.5271 4.5271 4.6647 4.6647 5.1408 5.1408 5.3784 5.3784 5.9610 5.9610 6.0866 6.0866 6.2963 6.2963 6.8008 6.8008 9.1369 9.1369 9.6529 9.6529 10.5680 10.5680 k = 0.4938-0.2847 0.3818 ( 4566 PWs) bands (ev): -8.2114 -8.2113 -7.0828 -7.0826 -6.7706 -6.7704 -1.5200 -1.5179 0.7766 0.7792 1.9274 1.9509 2.0865 2.1091 2.6820 2.6870 3.0084 3.0167 3.0808 3.0846 3.1105 3.1133 3.2068 3.2144 4.2515 4.2601 4.4044 4.4134 4.4795 4.4840 4.5248 4.5289 4.6607 4.6735 5.1393 5.1426 5.3772 5.3815 5.9563 5.9598 6.0849 6.0902 6.2883 6.2906 6.8057 6.8086 9.1355 9.1415 9.6544 9.6563 10.5549 10.5639 k = 0.4875-0.2738 0.3992 ( 4564 PWs) bands (ev): -8.2087 -8.2085 -7.0819 -7.0815 -6.7696 -6.7692 -1.5246 -1.5203 0.7769 0.7821 1.8909 1.9293 2.0905 2.1271 2.6782 2.6879 3.0030 3.0193 3.0769 3.0846 3.1083 3.1140 3.2017 3.2166 4.2504 4.2669 4.4003 4.4186 4.4765 4.4852 4.5225 4.5297 4.6617 4.6863 5.1379 5.1445 5.3783 5.3863 5.9462 5.9529 6.0850 6.0951 6.2677 6.2721 6.8224 6.8284 9.1373 9.1491 9.6611 9.6646 10.5308 10.5446 k = 0.4813-0.2628 0.4167 ( 4560 PWs) bands (ev): -8.2042 -8.2038 -7.0804 -7.0798 -6.7678 -6.7672 -1.5316 -1.5251 0.7781 0.7860 1.8442 1.8909 2.1003 2.1444 2.6733 2.6873 2.9969 3.0202 3.0718 3.0834 3.1059 3.1144 3.1961 3.2175 4.2514 4.2745 4.3964 4.4241 4.4733 4.4858 4.5207 4.5294 4.6675 4.7019 5.1356 5.1457 5.3825 5.3932 5.9318 5.9413 6.0862 6.1006 6.2366 6.2428 6.8496 6.8592 9.1417 9.1589 9.6730 9.6777 10.5012 10.5168 k = 0.4750-0.2518 0.4342 ( 4566 PWs) bands (ev): -8.1978 -8.1974 -7.0783 -7.0774 -6.7652 -6.7645 -1.5410 -1.5325 0.7803 0.7909 1.7899 1.8419 2.1112 2.1600 2.6671 2.6850 2.9897 3.0188 3.0660 3.0807 3.1038 3.1147 3.1902 3.2173 4.2540 4.2823 4.3924 4.4299 4.4700 4.4856 4.5196 4.5285 4.6770 4.7193 5.1315 5.1453 5.3904 5.4027 5.9139 5.9259 6.0876 6.1056 6.1976 6.2052 6.8857 6.8996 9.1479 9.1699 9.6904 9.6956 10.4687 10.4853 k = 0.4688-0.2409 0.4516 ( 4562 PWs) bands (ev): -8.1896 -8.1891 -7.0755 -7.0745 -6.7619 -6.7610 -1.5530 -1.5424 0.7833 0.7968 1.7296 1.7856 2.1211 2.1739 2.6592 2.6808 2.9814 3.0141 3.0601 3.0770 3.1023 3.1150 3.1842 3.2160 4.2578 4.2896 4.3883 4.4357 4.4670 4.4849 4.5189 4.5277 4.6890 4.7375 5.1246 5.1422 5.4025 5.4153 5.8934 5.9073 6.0881 6.1087 6.1544 6.1620 6.9299 6.9486 9.1548 9.1811 9.7135 9.7182 10.4344 10.4523 k = 0.4625-0.2299 0.4691 ( 4568 PWs) bands (ev): -8.1796 -8.1790 -7.0722 -7.0710 -6.7579 -6.7568 -1.5677 -1.5551 0.7870 0.8034 1.6650 1.7246 2.1294 2.1863 2.6491 2.6748 2.9716 3.0054 3.0546 3.0728 3.1014 3.1153 3.1781 3.2139 4.2623 4.2961 4.3841 4.4410 4.4645 4.4838 4.5185 4.5274 4.7024 4.7555 5.1143 5.1356 5.4180 5.4306 5.8709 5.8860 6.0823 6.0989 6.1164 6.1241 6.9814 7.0058 9.1612 9.1914 9.7419 9.7454 10.3988 10.4189 k = 0.4562-0.2190 0.4866 ( 4570 PWs) bands (ev): -8.1679 -8.1672 -7.0683 -7.0669 -6.7532 -6.7519 -1.5852 -1.5706 0.7913 0.8106 1.5977 1.6606 2.1359 2.1974 2.6366 2.6672 2.9598 2.9929 3.0495 3.0689 3.1011 3.1155 3.1722 3.2110 4.2671 4.3015 4.3797 4.4452 4.4626 4.4823 4.5188 4.5278 4.7160 4.7726 5.1008 5.1253 5.4352 5.4477 5.8468 5.8622 6.0441 6.0647 6.0951 6.1218 7.0401 7.0710 9.1664 9.2005 9.7754 9.7767 10.3627 10.3855 k = 0.4500-0.2080 0.5041 ( 4568 PWs) bands (ev): -8.1544 -8.1536 -7.0639 -7.0623 -6.7479 -6.7464 -1.6057 -1.5892 0.7959 0.8183 1.5294 1.5952 2.1406 2.2073 2.6218 2.6582 2.9458 2.9770 3.0443 3.0658 3.1013 3.1157 3.1662 3.2075 4.2718 4.3059 4.3752 4.4477 4.4616 4.4810 4.5198 4.5287 4.7294 4.7884 5.0845 5.1113 5.4518 5.4645 5.8214 5.8358 5.9954 6.0189 6.0927 6.1230 7.1057 7.1437 9.1699 9.2081 9.8115 9.8133 10.3267 10.3527 k = 0.4437-0.1971 0.5215 ( 4568 PWs) bands (ev): -8.1392 -8.1383 -7.0590 -7.0572 -6.7419 -6.7402 -1.6293 -1.6111 0.8005 0.8261 1.4616 1.5301 2.1433 2.2158 2.6050 2.6482 2.9295 2.9584 3.0387 3.0636 3.1020 3.1156 3.1603 3.2034 4.2762 4.3095 4.3705 4.4483 4.4611 4.4799 4.5219 4.5300 4.7419 4.8026 5.0664 5.0942 5.4648 5.4780 5.7947 5.8064 5.9485 5.9767 6.0910 6.1240 7.1778 7.2236 9.1714 9.2147 9.8492 9.8544 10.2913 10.3207 k = 0.4375-0.1861 0.5390 ( 4572 PWs) bands (ev): -8.1224 -8.1214 -7.0537 -7.0517 -6.7352 -6.7334 -1.6562 -1.6363 0.8049 0.8337 1.3958 1.4666 2.1440 2.2228 2.5866 2.6373 2.9109 2.9378 3.0328 3.0619 3.1032 3.1152 3.1543 3.1990 4.2799 4.3124 4.3657 4.4475 4.4606 4.4793 4.5247 4.5314 4.7535 4.8148 5.0473 5.0746 5.4712 5.4850 5.7668 5.7740 5.9069 5.9410 6.0891 6.1246 7.2555 7.3099 9.1716 9.2209 9.8888 9.8978 10.2573 10.2897 k = 0.4313-0.1751 0.5565 ( 4580 PWs) bands (ev): -8.1039 -8.1028 -7.0480 -7.0458 -6.7280 -6.7260 -1.6864 -1.6650 0.8085 0.8405 1.3337 1.4062 2.1423 2.2278 2.5673 2.6261 2.8902 2.9154 3.0265 3.0603 3.1049 3.1144 3.1484 3.1941 4.2826 4.3149 4.3609 4.4457 4.4600 4.4790 4.5282 4.5327 4.7641 4.8248 5.0284 5.0532 5.4683 5.4821 5.7368 5.7401 5.8732 5.9133 6.0870 6.1249 7.3376 7.4011 9.1714 9.2277 9.9295 9.9424 10.2252 10.2599 k = 0.4250-0.1642 0.5739 ( 4592 PWs) bands (ev): -8.0838 -8.0826 -7.0419 -7.0396 -6.7203 -6.7181 -1.7200 -1.6973 0.8110 0.8459 1.2768 1.3500 2.1381 2.2300 2.5481 2.6149 2.8679 2.8918 3.0196 3.0585 3.1069 3.1135 3.1428 3.1889 4.2841 4.3172 4.3561 4.4432 4.4594 4.4788 4.5315 4.5343 4.7737 4.8322 5.0110 5.0310 5.4541 5.4679 5.7019 5.7092 5.8486 5.8937 6.0850 6.1253 7.4225 7.4954 9.1723 9.2366 9.9703 9.9874 10.1959 10.2314 k = 0.4188-0.1532 0.5914 ( 4590 PWs) bands (ev): -8.0621 -8.0609 -7.0356 -7.0331 -6.7120 -6.7097 -1.7572 -1.7333 0.8117 0.8489 1.2266 1.2993 2.1313 2.2289 2.5297 2.6039 2.8444 2.8675 3.0121 3.0559 3.1086 3.1129 3.1377 3.1833 4.2843 4.3197 4.3513 4.4401 4.4592 4.4787 4.5335 4.5370 4.7824 4.8363 4.9963 5.0087 5.4281 5.4431 5.6663 5.6788 5.8322 5.8805 6.0831 6.1258 7.5078 7.5903 9.1762 9.2491 10.0098 10.0315 10.1709 10.2043 k = 0.4125-0.1423 0.6089 ( 4594 PWs) bands (ev): -8.0390 -8.0377 -7.0291 -7.0265 -6.7033 -6.7009 -1.7978 -1.7730 0.8099 0.8486 1.1848 1.2550 2.1216 2.2237 2.5129 2.5931 2.8204 2.8429 3.0038 3.0521 3.1088 3.1139 3.1336 3.1775 4.2830 4.3223 4.3467 4.4365 4.4593 4.4784 4.5342 4.5404 4.7902 4.8362 4.9859 4.9872 5.3923 5.4101 5.6315 5.6483 5.8215 5.8717 6.0817 6.1267 7.5910 7.6826 9.1855 9.2671 10.0436 10.0734 10.1556 10.1785 k = 0.4062-0.1313 0.6264 ( 4588 PWs) bands (ev): -8.0145 -8.0132 -7.0225 -7.0197 -6.6942 -6.6916 -1.8418 -1.8163 0.8053 0.8442 1.1526 1.2179 2.1093 2.2140 2.4981 2.5825 2.7965 2.8189 2.9945 3.0463 3.1083 3.1154 3.1312 3.1713 4.2804 4.3251 4.3423 4.4328 4.4599 4.4781 4.5342 4.5436 4.7968 4.8315 4.9675 4.9805 5.3496 5.3713 5.5972 5.6176 5.8134 5.8650 6.0809 6.1279 7.6692 7.7689 9.2027 9.2923 10.0591 10.1126 10.1539 10.1628 k = 0.4000-0.1204 0.6438 ( 4586 PWs) bands (ev): -7.9887 -7.9873 -7.0158 -7.0129 -6.6848 -6.6821 -1.8891 -1.8630 0.7973 0.8356 1.1302 1.1881 2.0945 2.1998 2.4848 2.5714 2.7738 2.7963 2.9842 3.0382 3.1080 3.1154 3.1315 3.1648 4.2767 4.3276 4.3384 4.4290 4.4606 4.4777 4.5336 4.5465 4.8019 4.8226 4.9505 4.9801 5.3031 5.3291 5.5631 5.5867 5.8057 5.8588 6.0806 6.1294 7.7397 7.8457 9.2299 9.3264 10.0512 10.1287 10.1543 10.1948 k = 0.3937-0.1094 0.6613 ( 4582 PWs) bands (ev): -7.9615 -7.9601 -7.0091 -7.0061 -6.6751 -6.6722 -1.9393 -1.9130 0.7862 0.8236 1.1170 1.1656 2.0777 2.1816 2.4721 2.5589 2.7534 2.7762 2.9729 3.0278 3.1078 3.1144 3.1344 3.1582 4.2721 4.3281 4.3365 4.4251 4.4613 4.4775 4.5323 4.5489 4.8046 4.8106 4.9372 4.9840 5.2549 5.2856 5.5289 5.5559 5.7972 5.8518 6.0808 6.1308 7.8000 7.9101 9.2687 9.3699 10.0336 10.1062 10.1966 10.2378 k = 0.3875-0.0984 0.6788 ( 4592 PWs) bands (ev): -7.9332 -7.9318 -7.0026 -6.9994 -6.6651 -6.6621 -1.9923 -1.9660 0.7726 0.8098 1.1110 1.1496 2.0594 2.1606 2.4585 2.5441 2.7364 2.7597 2.9604 3.0151 3.1058 3.1150 3.1381 3.1517 4.2669 4.3248 4.3382 4.4213 4.4618 4.4774 4.5303 4.5509 4.7954 4.8057 4.9287 4.9909 5.2066 5.2419 5.4946 5.5252 5.7872 5.8430 6.0812 6.1321 7.8488 7.9600 9.3192 9.4225 10.0135 10.0837 10.2424 10.2859 k = 0.3812-0.0875 0.6962 ( 4594 PWs) bands (ev): -7.9039 -7.9024 -6.9963 -6.9930 -6.6549 -6.6518 -2.0476 -2.0215 0.7577 0.7955 1.1103 1.1390 2.0402 2.1378 2.4426 2.5262 2.7237 2.7476 2.9470 3.0004 3.1021 3.1178 3.1390 3.1485 4.2613 4.3200 4.3415 4.4177 4.4618 4.4778 4.5278 4.5524 4.7798 4.8032 4.9253 5.0000 5.1594 5.1994 5.4603 5.4947 5.7754 5.8322 6.0816 6.1328 7.8856 7.9952 9.3796 9.4824 9.9931 10.0617 10.2921 10.3385 k = 0.3750-0.0765 0.7137 ( 4594 PWs) bands (ev): -7.8735 -7.8720 -6.9902 -6.9869 -6.6446 -6.6414 -2.1049 -2.0792 0.7427 0.7819 1.1127 1.1326 2.0209 2.1143 2.4233 2.5050 2.7157 2.7402 2.9326 2.9840 3.0975 3.1217 3.1331 3.1522 4.2557 4.3145 4.3451 4.4143 4.4611 4.4788 4.5247 4.5537 4.7635 4.7982 4.9263 5.0102 5.1146 5.1587 5.4262 5.4645 5.7619 5.8194 6.0816 6.1327 7.9109 8.0166 9.4467 9.5463 9.9732 10.0401 10.3469 10.3963 k = 0.3688-0.0656 0.7312 ( 4590 PWs) bands (ev): -7.8423 -7.8407 -6.9845 -6.9811 -6.6342 -6.6309 -2.1637 -2.1385 0.7287 0.7695 1.1165 1.1295 2.0021 2.0913 2.4005 2.4808 2.7123 2.7369 2.9175 2.9660 3.0925 3.1243 3.1274 3.1579 4.2502 4.3087 4.3488 4.4112 4.4596 4.4802 4.5214 4.5546 4.7474 4.7913 4.9299 5.0195 5.0747 5.1205 5.3927 5.4349 5.7468 5.8046 6.0808 6.1314 7.9260 8.0262 9.5160 9.6100 9.9547 10.0191 10.4081 10.4602 k = 0.3625-0.0546 0.7487 ( 4586 PWs) bands (ev): -7.8103 -7.8088 -6.9793 -6.9758 -6.6239 -6.6205 -2.2235 -2.1990 0.7165 0.7586 1.1194 1.1297 1.9844 2.0697 2.3745 2.4544 2.7124 2.7369 2.9020 2.9468 3.0871 3.1163 3.1322 3.1640 4.2449 4.3025 4.3527 4.4083 4.4575 4.4820 4.5181 4.5551 4.7320 4.7831 4.9334 5.0166 5.0515 5.0866 5.3600 5.4058 5.7303 5.7880 6.0789 6.1287 7.9327 8.0265 9.5829 9.6688 9.9386 9.9989 10.4765 10.5306 k = 0.3563-0.0437 0.7661 ( 4578 PWs) bands (ev): -7.7777 -7.7762 -6.9747 -6.9712 -6.6136 -6.6102 -2.2838 -2.2602 0.7063 0.7496 1.1203 1.1327 1.9683 2.0502 2.3460 2.4268 2.7148 2.7394 2.8863 2.9265 3.0814 3.1075 3.1381 3.1703 4.2401 4.2962 4.3565 4.4058 4.4547 4.4839 4.5149 4.5552 4.7177 4.7739 4.9308 4.9951 5.0464 5.0676 5.3286 5.3776 5.7127 5.7699 6.0755 6.1244 7.9328 8.0198 9.6436 9.7176 9.9270 9.9798 10.5519 10.6071 k = 0.3500-0.0327 0.7836 ( 4584 PWs) bands (ev): -7.7447 -7.7431 -6.9707 -6.9672 -6.6035 -6.5999 -2.3441 -2.3214 0.6982 0.7422 1.1201 1.1366 1.9543 2.0334 2.3162 2.3988 2.7177 2.7432 2.8711 2.9057 3.0757 3.0983 3.1443 3.1766 4.2357 4.2897 4.3601 4.4036 4.4514 4.4856 4.5119 4.5548 4.7049 4.7634 4.9148 4.9782 5.0301 5.0762 5.2986 5.3503 5.6943 5.7506 6.0705 6.1182 7.9279 8.0084 9.6952 9.7515 9.9226 9.9629 10.6328 10.6879 k = 0.3438-0.0218 0.8011 ( 4586 PWs) bands (ev): -7.7113 -7.7098 -6.9675 -6.9639 -6.5935 -6.5899 -2.4039 -2.3822 0.6922 0.7364 1.1192 1.1400 1.9424 2.0195 2.2858 2.3714 2.7195 2.7476 2.8567 2.8850 3.0699 3.0890 3.1509 3.1829 4.2318 4.2833 4.3635 4.4018 4.4476 4.4870 4.5095 4.5540 4.6939 4.7514 4.8895 4.9615 5.0254 5.0903 5.2705 5.3240 5.6753 5.7304 6.0636 6.1102 7.9197 7.9940 9.7357 9.7676 9.9267 9.9504 10.7163 10.7704 k = 0.3375-0.0108 0.8186 ( 4588 PWs) bands (ev): -7.6778 -7.6763 -6.9650 -6.9615 -6.5839 -6.5802 -2.4625 -2.4421 0.6879 0.7319 1.1180 1.1426 1.9326 2.0086 2.2559 2.3453 2.7183 2.7517 2.8429 2.8663 3.0642 3.0798 3.1577 3.1891 4.2286 4.2771 4.3666 4.4003 4.4434 4.4878 4.5077 4.5527 4.6849 4.7373 4.8629 4.9410 5.0324 5.1054 5.2448 5.2989 5.6560 5.7096 6.0547 6.1001 7.9094 7.9780 9.7617 9.7706 9.9299 9.9510 10.7988 10.8511 k = 0.3312 0.0002 0.8360 ( 4594 PWs) bands (ev): -7.6444 -7.6429 -6.9635 -6.9600 -6.5745 -6.5708 -2.5196 -2.5004 0.6851 0.7283 1.1167 1.1441 1.9249 2.0005 2.2273 2.3211 2.7129 2.7543 2.8275 2.8533 3.0587 3.0709 3.1647 3.1952 4.2260 4.2712 4.3691 4.3993 4.4390 4.4880 4.5063 4.5514 4.6777 4.7210 4.8382 4.9206 5.0445 5.1201 5.2223 5.2751 5.6368 5.6886 6.0438 6.0882 7.8980 7.9615 9.7579 9.7813 9.9283 9.9652 10.8765 10.9264 k = 0.3250 0.0111 0.8535 ( 4598 PWs) bands (ev): -7.6112 -7.6098 -6.9629 -6.9595 -6.5656 -6.5618 -2.5746 -2.5566 0.6834 0.7254 1.1152 1.1447 1.9188 1.9946 2.2012 2.2996 2.7028 2.7538 2.8102 2.8476 3.0536 3.0626 3.1717 3.2011 4.2240 4.2657 4.3710 4.3986 4.4346 4.4876 4.5053 4.5502 4.6723 4.7027 4.8163 4.9024 5.0583 5.1331 5.2045 5.2526 5.6179 5.6679 6.0310 6.0743 7.8863 7.9454 9.7447 9.7850 9.9302 9.9812 10.9466 10.9937 k = 0.3187 0.0221 0.8710 ( 4592 PWs) bands (ev): -7.5785 -7.5772 -6.9633 -6.9599 -6.5571 -6.5533 -2.6270 -2.6104 0.6825 0.7228 1.1141 1.1446 1.9139 1.9898 2.1785 2.2811 2.6889 2.7478 2.7954 2.8463 3.0488 3.0553 3.1787 3.2067 4.2226 4.2609 4.3721 4.3980 4.4304 4.4867 4.5045 4.5495 4.6679 4.6833 4.7974 4.8871 5.0715 5.1416 5.1946 5.2319 5.5998 5.6478 6.0163 6.0587 7.8748 7.9304 9.7292 9.7803 9.9357 9.9958 11.0077 11.0519 k = 0.3125 0.0330 0.8884 ( 4590 PWs) bands (ev): -7.5466 -7.5453 -6.9646 -6.9614 -6.5491 -6.5453 -2.6765 -2.6612 0.6821 0.7203 1.1134 1.1440 1.9098 1.9850 2.1606 2.2662 2.6721 2.7345 2.7857 2.8469 3.0442 3.0497 3.1856 3.2121 4.2218 4.2568 4.3723 4.3971 4.4269 4.4851 4.5041 4.5494 4.6600 4.6677 4.7813 4.8746 5.0815 5.1444 5.1934 5.2148 5.5826 5.6288 5.9998 6.0416 7.8640 7.9167 9.7130 9.7707 9.9426 10.0083 11.0602 11.1015 k = 0.3063 0.0440 0.9059 ( 4594 PWs) bands (ev): -7.5156 -7.5144 -6.9669 -6.9638 -6.5417 -6.5378 -2.7225 -2.7086 0.6819 0.7176 1.1133 1.1433 1.9059 1.9788 2.1485 2.2551 2.6539 2.7160 2.7799 2.8479 3.0400 3.0458 3.1922 3.2171 4.2213 4.2534 4.3717 4.3957 4.4243 4.4828 4.5042 4.5499 4.6420 4.6628 4.7681 4.8646 5.0849 5.1475 5.1862 5.2128 5.5668 5.6115 5.9820 6.0233 7.8542 7.9046 9.6968 9.7587 9.9494 10.0188 11.1057 11.1444 k = 0.3000 0.0549 0.9234 ( 4596 PWs) bands (ev): -7.4861 -7.4849 -6.9701 -6.9671 -6.5349 -6.5310 -2.7648 -2.7523 0.6818 0.7146 1.1140 1.1426 1.9021 1.9704 2.1428 2.2476 2.6350 2.6955 2.7752 2.8481 3.0366 3.0432 3.1985 3.2217 4.2211 4.2508 4.3701 4.3937 4.4226 4.4800 4.5049 4.5507 4.6240 4.6585 4.7582 4.8563 5.0815 5.1558 5.1706 5.2229 5.5525 5.5963 5.9632 6.0042 7.8455 7.8942 9.6813 9.7458 9.9555 10.0274 11.1460 11.1825 k = 0.2938 0.0659 0.9409 ( 4598 PWs) bands (ev): -7.4582 -7.4571 -6.9740 -6.9712 -6.5288 -6.5249 -2.8028 -2.7918 0.6816 0.7113 1.1155 1.1421 1.8983 1.9600 2.1429 2.2435 2.6163 2.6750 2.7704 2.8473 3.0345 3.0415 3.2044 3.2259 4.2211 4.2491 4.3677 4.3916 4.4214 4.4770 4.5064 4.5517 4.6080 4.6531 4.7520 4.8494 5.0747 5.1546 5.1676 5.2344 5.5401 5.5837 5.9437 5.9848 7.8379 7.8855 9.6668 9.7332 9.9607 10.0344 11.1827 11.2177 k = 0.2875 0.0769 0.9583 ( 4600 PWs) bands (ev): -7.4325 -7.4314 -6.9785 -6.9759 -6.5234 -6.5195 -2.8364 -2.8268 0.6814 0.7079 1.1176 1.1418 1.8944 1.9483 2.1475 2.2423 2.5985 2.6553 2.7653 2.8453 3.0337 3.0405 3.2097 3.2297 4.2213 4.2481 4.3644 4.3899 4.4201 4.4744 4.5083 4.5521 4.5950 4.6463 4.7493 4.8434 5.0673 5.1396 5.1806 5.2449 5.5299 5.5739 5.9243 5.9657 7.8316 7.8785 9.6537 9.7213 9.9649 10.0401 11.2172 11.2508 k = 0.2812 0.0878 0.9758 ( 4602 PWs) bands (ev): -7.4093 -7.4082 -6.9833 -6.9809 -6.5188 -6.5149 -2.8652 -2.8570 0.6811 0.7044 1.1202 1.1418 1.8907 1.9364 2.1551 2.2431 2.5821 2.6371 2.7601 2.8424 3.0338 3.0400 3.2143 3.2330 4.2216 4.2477 4.3607 4.3889 4.4182 4.4725 4.5104 4.5509 4.5861 4.6385 4.7497 4.8378 5.0608 5.1260 5.1932 5.2534 5.5220 5.5671 5.9056 5.9476 7.8264 7.8729 9.6421 9.7107 9.9683 10.0447 11.2499 11.2827 k = 0.2750 0.0988 0.9933 ( 4604 PWs) bands (ev): -7.3892 -7.3881 -6.9881 -6.9859 -6.5149 -6.5110 -2.8890 -2.8822 0.6808 0.7010 1.1229 1.1420 1.8876 1.9252 2.1640 2.2450 2.5679 2.6211 2.7551 2.8391 3.0346 3.0397 3.2182 3.2358 4.2219 4.2477 4.3568 4.3886 4.4156 4.4715 4.5125 4.5476 4.5821 4.6301 4.7522 4.8324 5.0559 5.1138 5.2048 5.2595 5.5166 5.5628 5.8883 5.9311 7.8223 7.8687 9.6323 9.7015 9.9710 10.0482 11.2812 11.3133 k = 0.2687 0.1097 1.0107 ( 4600 PWs) bands (ev): -7.3728 -7.3717 -6.9925 -6.9905 -6.5119 -6.5080 -2.9076 -2.9021 0.6805 0.6980 1.1255 1.1422 1.8852 1.9154 2.1729 2.2474 2.5562 2.6077 2.7507 2.8359 3.0358 3.0396 3.2213 3.2380 4.2223 4.2480 4.3534 4.3890 4.4125 4.4713 4.5144 4.5429 4.5822 4.6218 4.7560 4.8273 5.0527 5.1035 5.2149 5.2631 5.5133 5.5608 5.8735 5.9171 7.8193 7.8656 9.6245 9.6942 9.9729 10.0509 11.3109 11.3429 k = 0.2625 0.1207 1.0282 ( 4598 PWs) bands (ev): -7.3605 -7.3594 -6.9961 -6.9943 -6.5097 -6.5058 -2.9209 -2.9166 0.6804 0.6956 1.1276 1.1423 1.8838 1.9077 2.1805 2.2494 2.5476 2.5976 2.7472 2.8332 3.0369 3.0396 3.2235 3.2396 4.2226 4.2483 4.3506 4.3898 4.4094 4.4717 4.5159 4.5385 4.5846 4.6142 4.7599 4.8228 5.0510 5.0954 5.2228 5.2646 5.5117 5.5601 5.8619 5.9063 7.8172 7.8635 9.6188 9.6888 9.9743 10.0528 11.3385 11.3709 k = 0.2562 0.1316 1.0457 ( 4600 PWs) bands (ev): -7.3529 -7.3518 -6.9984 -6.9967 -6.5084 -6.5045 -2.9288 -2.9255 0.6803 0.6940 1.1291 1.1424 1.8832 1.9025 2.1856 2.2507 2.5423 2.5913 2.7450 2.8315 3.0379 3.0394 3.2248 3.2406 4.2228 4.2486 4.3489 4.3908 4.4070 4.4721 4.5168 4.5356 4.5879 4.6081 4.7629 4.8195 5.0504 5.0901 5.2281 5.2649 5.5111 5.5601 5.8545 5.8995 7.8159 7.8623 9.6153 9.6855 9.9751 10.0539 11.3621 11.3970 k = 0.2500 0.1426 1.0632 ( 4604 PWs) bands (ev): -7.3503 -7.3492 -6.9992 -6.9976 -6.5080 -6.5040 -2.9314 -2.9285 0.6803 0.6934 1.1296 1.1425 1.8831 1.9007 2.1873 2.2512 2.5405 2.5892 2.7442 2.8309 3.0384 3.0392 3.2251 3.2408 4.2229 4.2486 4.3483 4.3913 4.4059 4.4721 4.5170 4.5346 4.5896 4.6054 4.7641 4.8182 5.0503 5.0883 5.2300 5.2649 5.5109 5.5602 5.8519 5.8971 7.8155 7.8620 9.6142 9.6844 9.9753 10.0543 11.3738 11.4160 k = 0.0813-0.1426 1.0632 ( 4582 PWs) bands (ev): -7.3923 -7.3917 -6.9768 -6.9752 -6.5461 -6.5459 -2.8574 -2.8508 0.6769 0.6977 1.4184 1.4382 1.5512 1.5737 2.2560 2.3114 2.7022 2.7197 2.7770 2.7809 3.0945 3.1257 3.1473 3.1522 4.2377 4.2707 4.3948 4.3966 4.4352 4.4552 4.5328 4.5420 4.6152 4.6531 4.6654 4.6747 4.9148 4.9167 5.2777 5.2898 5.6497 5.6591 5.8506 5.8661 7.7310 7.7658 9.7487 9.7560 9.8601 9.8610 10.8553 10.8632 k = 0.0875-0.1534 1.0459 ( 4580 PWs) bands (ev): -7.4119 -7.4112 -6.9708 -6.9689 -6.5543 -6.5540 -2.8311 -2.8230 0.6709 0.6940 1.4366 1.4520 1.5467 1.5650 2.2844 2.3457 2.6960 2.7249 2.7780 2.7878 3.0885 3.1234 3.1406 3.1412 4.2297 4.2701 4.3913 4.3990 4.4332 4.4561 4.5371 4.5438 4.6151 4.6656 4.6729 4.6926 4.9197 4.9249 5.2835 5.3034 5.6253 5.6340 5.8388 5.8524 7.7711 7.8085 9.7778 9.7862 9.8904 9.8920 10.8114 10.8182 k = 0.0937-0.1642 1.0287 ( 4587 PWs) bands (ev): -7.4348 -7.4341 -6.9643 -6.9621 -6.5632 -6.5628 -2.8001 -2.7904 0.6662 0.6916 1.4518 1.4577 1.5508 1.5596 2.3104 2.3767 2.6938 2.7326 2.7818 2.7965 3.0809 3.1182 3.1320 3.1344 4.2220 4.2698 4.3878 4.4006 4.4297 4.4576 4.5413 4.5451 4.6171 4.6711 4.6905 4.7131 4.9259 4.9356 5.2895 5.3176 5.6025 5.6106 5.8288 5.8403 7.8109 7.8509 9.8045 9.8135 9.9199 9.9229 10.7661 10.7717 k = 0.0999-0.1751 1.0114 ( 4587 PWs) bands (ev): -7.4605 -7.4597 -6.9578 -6.9553 -6.5728 -6.5722 -2.7646 -2.7535 0.6628 0.6905 1.4543 1.4608 1.5603 1.5645 2.3343 2.4044 2.6958 2.7426 2.7880 2.8066 3.0716 3.1082 3.1270 3.1288 4.2150 4.2700 4.3845 4.4015 4.4255 4.4597 4.5448 4.5460 4.6216 4.6763 4.7115 4.7360 4.9335 4.9489 5.2954 5.3317 5.5818 5.5892 5.8211 5.8304 7.8498 7.8924 9.8283 9.8373 9.9483 9.9531 10.7191 10.7235 k = 0.1060-0.1859 0.9942 ( 4581 PWs) bands (ev): -7.4883 -7.4874 -6.9515 -6.9488 -6.5829 -6.5823 -2.7250 -2.7124 0.6608 0.6908 1.4444 1.4611 1.5695 1.5849 2.3566 2.4292 2.7018 2.7542 2.7964 2.8179 3.0610 3.0959 3.1236 3.1242 4.2088 4.2707 4.3812 4.4018 4.4211 4.4621 4.5461 4.5474 4.6281 4.6816 4.7354 4.7614 4.9426 4.9648 5.3006 5.3452 5.5631 5.5699 5.8162 5.8234 7.8873 7.9325 9.8485 9.8566 9.9751 9.9826 10.6699 10.6733 k = 0.1122-0.1967 0.9769 ( 4584 PWs) bands (ev): -7.5179 -7.5169 -6.9458 -6.9429 -6.5937 -6.5930 -2.6814 -2.6673 0.6602 0.6924 1.4305 1.4534 1.5863 1.6092 2.3781 2.4515 2.7114 2.7668 2.8069 2.8298 3.0499 3.0833 3.1192 3.1215 4.2036 4.2717 4.3778 4.4018 4.4172 4.4646 4.5455 4.5487 4.6360 4.6866 4.7624 4.7891 4.9531 4.9832 5.3047 5.3572 5.5466 5.5529 5.8146 5.8198 7.9226 7.9706 9.8643 9.8707 10.0001 10.0110 10.6178 10.6206 k = 0.1184-0.2075 0.9597 ( 4581 PWs) bands (ev): -7.5489 -7.5478 -6.9407 -6.9377 -6.6050 -6.6042 -2.6343 -2.6188 0.6612 0.6956 1.4140 1.4402 1.6080 1.6358 2.3994 2.4721 2.7238 2.7792 2.8193 2.8417 3.0388 3.0713 3.1150 3.1189 4.1995 4.2733 4.3743 4.4016 4.4143 4.4672 4.5442 4.5492 4.6445 4.6910 4.7925 4.8193 4.9652 5.0040 5.3072 5.3671 5.5323 5.5384 5.8169 5.8205 7.9551 8.0061 9.8750 9.8788 10.0232 10.0381 10.5622 10.5646 k = 0.1245-0.2183 0.9424 ( 4575 PWs) bands (ev): -7.5808 -7.5797 -6.9365 -6.9333 -6.6167 -6.6158 -2.5839 -2.5671 0.6639 0.7004 1.3957 1.4233 1.6328 1.6639 2.4210 2.4919 2.7384 2.7905 2.8336 2.8531 3.0288 3.0606 3.1109 3.1162 4.1966 4.2753 4.3706 4.4013 4.4126 4.4698 4.5425 4.5491 4.6529 4.6946 4.8258 4.8518 4.9790 5.0270 5.3080 5.3743 5.5202 5.5266 5.8233 5.8259 7.9840 8.0383 9.8799 9.8802 10.0441 10.0635 10.5026 10.5052 k = 0.1307-0.2291 0.9252 ( 4579 PWs) bands (ev): -7.6135 -7.6123 -6.9331 -6.9298 -6.6288 -6.6278 -2.5308 -2.5126 0.6684 0.7069 1.3758 1.4039 1.6594 1.6931 2.4433 2.5114 2.7542 2.7999 2.8493 2.8630 3.0207 3.0516 3.1069 3.1135 4.1950 4.2777 4.3668 4.4009 4.4122 4.4725 4.5402 4.5485 4.6606 4.6971 4.8620 4.8866 4.9944 5.0517 5.3068 5.3782 5.5103 5.5177 5.8341 5.8364 8.0086 8.0664 9.8739 9.8780 10.0626 10.0869 10.4392 10.4423 k = 0.1369-0.2400 0.9079 ( 4588 PWs) bands (ev): -7.6467 -7.6454 -6.9306 -6.9272 -6.6413 -6.6402 -2.4752 -2.4557 0.6749 0.7154 1.3547 1.3826 1.6871 1.7228 2.4667 2.5314 2.7705 2.8072 2.8658 2.8708 3.0156 3.0450 3.1030 3.1106 4.1946 4.2805 4.3631 4.4006 4.4130 4.4751 4.5378 4.5477 4.6673 4.6987 4.9011 4.9237 5.0114 5.0779 5.3037 5.3786 5.5027 5.5120 5.8492 5.8519 8.0280 8.0895 9.8590 9.8684 10.0782 10.1078 10.3732 10.3774 k = 0.1430-0.2508 0.8907 ( 4586 PWs) bands (ev): -7.6801 -7.6787 -6.9290 -6.9256 -6.6540 -6.6528 -2.4176 -2.3969 0.6837 0.7259 1.3325 1.3597 1.7156 1.7529 2.4912 2.5522 2.7867 2.8123 2.8760 2.8825 3.0144 3.0412 3.0991 3.1079 4.1955 4.2836 4.3598 4.4003 4.4150 4.4778 4.5352 4.5468 4.6726 4.6994 4.9429 4.9628 5.0302 5.1052 5.2990 5.3758 5.4975 5.5095 5.8686 5.8722 8.0412 8.1069 9.8336 9.8496 10.0900 10.1255 10.3073 10.3131 k = 0.1492-0.2616 0.8734 ( 4582 PWs) bands (ev): -7.7135 -7.7121 -6.9283 -6.9248 -6.6669 -6.6657 -2.3586 -2.3367 0.6949 0.7388 1.3093 1.3357 1.7443 1.7829 2.5169 2.5738 2.8019 2.8153 2.8789 2.8989 3.0171 3.0402 3.0953 3.1053 4.1977 4.2870 4.3568 4.4001 4.4181 4.4804 4.5325 4.5458 4.6766 4.6993 4.9873 5.0031 5.0512 5.1328 5.2931 5.3702 5.4947 5.5103 5.8918 5.8969 8.0471 8.1172 9.7958 9.8196 10.0964 10.1388 10.2461 10.2542 k = 0.1554-0.2724 0.8562 ( 4581 PWs) bands (ev): -7.7467 -7.7452 -6.9285 -6.9249 -6.6799 -6.6786 -2.2984 -2.2755 0.7088 0.7543 1.2855 1.3108 1.7729 1.8124 2.5437 2.5965 2.8156 2.8166 2.8808 2.9146 3.0232 3.0420 3.0915 3.1030 4.2010 4.2906 4.3543 4.4000 4.4221 4.4829 4.5298 4.5448 4.6792 4.6985 5.0338 5.0419 5.0767 5.1604 5.2867 5.3626 5.4945 5.5141 5.9185 5.9253 8.0445 8.1193 9.7438 9.7762 10.0945 10.1430 10.1979 10.2077 k = 0.1616-0.2832 0.8389 ( 4585 PWs) bands (ev): -7.7796 -7.7781 -6.9294 -6.9259 -6.6930 -6.6917 -2.2377 -2.2138 0.7257 0.7726 1.2612 1.2853 1.8009 1.8410 2.5716 2.6200 2.8167 2.8268 2.8836 2.9293 3.0318 3.0461 3.0878 3.1011 4.2055 4.2943 4.3524 4.4000 4.4268 4.4853 4.5271 4.5439 4.6806 4.6973 5.0734 5.0820 5.1118 5.1870 5.2806 5.3539 5.4972 5.5208 5.9480 5.9568 8.0322 8.1118 9.6777 9.7188 10.0820 10.1253 10.1780 10.1790 k = 0.1677-0.2940 0.8217 ( 4579 PWs) bands (ev): -7.8119 -7.8105 -6.9310 -6.9275 -6.7060 -6.7047 -2.1769 -2.1521 0.7458 0.7939 1.2366 1.2594 1.8281 1.8684 2.6002 2.6442 2.8163 2.8349 2.8889 2.9429 3.0419 3.0517 3.0843 3.1001 4.2111 4.2981 4.3511 4.4002 4.4322 4.4875 4.5245 4.5430 4.6810 4.6957 5.0978 5.1300 5.1557 5.2121 5.2772 5.3455 5.5031 5.5302 5.9800 5.9906 8.0088 8.0932 9.6005 9.6495 10.0634 10.0974 10.1641 10.1749 k = 0.1739-0.3049 0.8044 ( 4579 PWs) bands (ev): -7.8437 -7.8422 -6.9332 -6.9298 -6.7190 -6.7177 -2.1165 -2.0910 0.7693 0.8184 1.2119 1.2333 1.8540 1.8940 2.6293 2.6688 2.8161 2.8406 2.8970 2.9552 3.0526 3.0580 3.0813 3.1004 4.2176 4.3018 4.3503 4.4005 4.4380 4.4894 4.5220 4.5422 4.6804 4.6940 5.1191 5.1721 5.2022 5.2366 5.2807 5.3395 5.5122 5.5422 6.0138 6.0261 7.9734 8.0618 9.5169 9.5724 10.0458 10.0749 10.1542 10.1712 k = 0.1801-0.3157 0.7872 ( 4583 PWs) bands (ev): -7.8746 -7.8732 -6.9360 -6.9327 -6.7319 -6.7306 -2.0569 -2.0309 0.7966 0.8464 1.1872 1.2073 1.8783 1.9175 2.6588 2.6934 2.8166 2.8454 2.9071 2.9662 3.0626 3.0639 3.0794 3.1026 4.2249 4.3054 4.3501 4.4008 4.4441 4.4909 4.5197 4.5415 4.6790 4.6923 5.1386 5.1951 5.2445 5.2665 5.2984 5.3417 5.5247 5.5565 6.0489 6.0628 7.9249 8.0166 9.4319 9.4925 10.0323 10.0595 10.1441 10.1631 k = 0.1862-0.3265 0.7699 ( 4581 PWs) bands (ev): -7.9047 -7.9033 -6.9393 -6.9360 -6.7445 -6.7432 -1.9987 -1.9722 0.8276 0.8779 1.1629 1.1816 1.9007 1.9387 2.6882 2.7177 2.8183 2.8511 2.9181 2.9759 3.0680 3.0688 3.0822 3.1072 4.2329 4.3089 4.3505 4.4013 4.4504 4.4919 4.5174 4.5409 4.6770 4.6908 5.1564 5.1983 5.2701 5.2935 5.3392 5.3647 5.5405 5.5728 6.0849 6.1001 7.8630 7.9567 9.3498 9.4138 10.0227 10.0504 10.1319 10.1497 k = 0.1924-0.3373 0.7527 ( 4583 PWs) bands (ev): -7.9338 -7.9324 -6.9430 -6.9398 -6.7569 -6.7556 -1.9422 -1.9156 0.8626 0.9131 1.1392 1.1564 1.9210 1.9572 2.7174 2.7412 2.8216 2.8585 2.9294 2.9844 3.0679 3.0720 3.0909 3.1142 4.2414 4.3120 4.3515 4.4018 4.4566 4.4925 4.5153 4.5404 4.6746 4.6895 5.1715 5.1931 5.2779 5.3137 5.3955 5.4108 5.5591 5.5908 6.1213 6.1375 7.7881 7.8821 9.2735 9.3390 10.0154 10.0467 10.1178 10.1306 k = 0.1986-0.3481 0.7354 ( 4581 PWs) bands (ev): -7.9618 -7.9604 -6.9470 -6.9439 -6.7690 -6.7677 -1.8878 -1.8612 0.9014 0.9518 1.1162 1.1320 1.9391 1.9731 2.7459 2.7636 2.8266 2.8684 2.9406 2.9917 3.0660 3.0744 3.1012 3.1229 4.2502 4.3149 4.3529 4.4025 4.4626 4.4925 4.5133 4.5400 4.6717 4.6885 5.1823 5.1850 5.2815 5.3318 5.4578 5.4680 5.5801 5.6102 6.1578 6.1747 7.7013 7.7939 9.2044 9.2696 10.0072 10.0471 10.1041 10.1064 k = 0.2047-0.3589 0.7182 ( 4581 PWs) bands (ev): -7.9886 -7.9872 -6.9512 -6.9482 -6.7807 -6.7795 -1.8360 -1.8096 0.9436 0.9937 1.0945 1.1087 1.9549 1.9863 2.7733 2.7844 2.8334 2.8809 2.9516 2.9980 3.0641 3.0766 3.1114 3.1325 4.2591 4.3174 4.3549 4.4031 4.4681 4.4921 4.5114 4.5396 4.6686 4.6879 5.1757 5.1875 5.2882 5.3485 5.5232 5.5299 5.6030 5.6308 6.1938 6.2111 7.6042 7.6939 9.1428 9.2062 9.9931 10.0461 10.0819 10.0950 k = 0.2109-0.3698 0.7009 ( 4583 PWs) bands (ev): -8.0141 -8.0128 -6.9556 -6.9527 -6.7920 -6.7908 -1.7869 -1.7610 0.9877 1.0367 1.0756 1.0887 1.9685 1.9970 2.7990 2.8032 2.8423 2.8957 2.9623 3.0036 3.0624 3.0788 3.1214 3.1425 4.2679 4.3195 4.3573 4.4038 4.4731 4.4911 4.5096 4.5390 4.6652 4.6876 5.1662 5.1870 5.3001 5.3644 5.5904 5.5935 5.6273 5.6533 6.2291 6.2465 7.4992 7.5848 9.0880 9.1484 9.9689 10.0235 10.0774 10.0948 k = 0.2171-0.3806 0.6837 ( 4583 PWs) bands (ev): -8.0383 -8.0371 -6.9600 -6.9573 -6.8028 -6.8016 -1.7409 -1.7156 1.0227 1.0542 1.0702 1.0982 1.9803 2.0056 2.8201 2.8216 2.8540 2.9125 2.9729 3.0086 3.0612 3.0813 3.1311 3.1526 4.2765 4.3210 4.3602 4.4042 4.4776 4.4896 4.5080 4.5383 4.6614 4.6874 5.1568 5.1824 5.3163 5.3796 5.6467 5.6507 5.6647 5.6844 6.2632 6.2806 7.3889 7.4695 9.0391 9.0957 9.9344 9.9826 10.0894 10.1031 k = 0.2233-0.3914 0.6664 ( 4585 PWs) bands (ev): -8.0611 -8.0599 -6.9645 -6.9619 -6.8130 -6.8119 -1.6980 -1.6737 1.0204 1.0375 1.1064 1.1457 1.9904 2.0123 2.8350 2.8393 2.8697 2.9305 2.9833 3.0134 3.0603 3.0839 3.1404 3.1627 4.2847 4.3220 4.3634 4.4045 4.4815 4.4878 4.5065 4.5372 4.6573 4.6873 5.1477 5.1755 5.3352 5.3942 5.6730 5.6828 5.7331 5.7416 6.2960 6.3129 7.2760 7.3510 8.9950 9.0472 9.8920 9.9343 10.1073 10.1179 k = 0.2294-0.4022 0.6492 ( 4595 PWs) bands (ev): -8.0824 -8.0813 -6.9689 -6.9665 -6.8227 -6.8217 -1.6586 -1.6354 1.0049 1.0185 1.1592 1.1985 1.9992 2.0176 2.8479 2.8523 2.8887 2.9491 2.9935 3.0182 3.0598 3.0866 3.1493 3.1726 4.2922 4.3225 4.3669 4.4044 4.4849 4.4857 4.5053 4.5356 4.6525 4.6868 5.1392 5.1675 5.3554 5.4081 5.6966 5.7044 5.8042 5.8095 6.3272 6.3434 7.1632 7.2322 8.9545 9.0022 9.8437 9.8810 10.1289 10.1374 k = 0.2356-0.4130 0.6319 ( 4590 PWs) bands (ev): -8.1022 -8.1012 -6.9732 -6.9710 -6.8318 -6.8308 -1.6225 -1.6006 0.9886 1.0002 1.2159 1.2532 2.0071 2.0219 2.8590 2.8623 2.9087 2.9676 3.0035 3.0234 3.0599 3.0894 3.1580 3.1822 4.2991 4.3225 4.3706 4.4039 4.4834 4.4880 4.5044 4.5335 4.6472 4.6857 5.1313 5.1592 5.3760 5.4213 5.7190 5.7235 5.8757 5.8792 6.3564 6.3717 7.0531 7.1159 8.9170 8.9601 9.7910 9.8239 10.1535 10.1602 k = 0.2418-0.4238 0.6147 ( 4590 PWs) bands (ev): -8.1204 -8.1195 -6.9773 -6.9752 -6.8402 -6.8393 -1.5899 -1.5695 0.9729 0.9831 1.2739 1.3082 2.0146 2.0258 2.8683 2.8705 2.9280 2.9854 3.0132 3.0289 3.0605 3.0922 3.1666 3.1916 4.3051 4.3220 4.3744 4.4028 4.4813 4.4909 4.5038 4.5308 4.6411 4.6838 5.1240 5.1508 5.3961 5.4332 5.7402 5.7412 5.9464 5.9488 6.3835 6.3976 6.9481 7.0044 8.8819 8.9205 9.7354 9.7643 10.1804 10.1855 k = 0.2479-0.4347 0.5974 ( 4582 PWs) bands (ev): -8.1371 -8.1362 -6.9811 -6.9793 -6.8479 -6.8470 -1.5607 -1.5419 0.9584 0.9674 1.3316 1.3624 2.0221 2.0298 2.8759 2.8773 2.9459 3.0017 3.0226 3.0349 3.0617 3.0949 3.1751 3.2005 4.3102 4.3209 4.3783 4.4010 4.4793 4.4937 4.5036 4.5274 4.6343 4.6806 5.1175 5.1428 5.4148 5.4436 5.7577 5.7601 6.0158 6.0172 6.4082 6.4210 6.8503 6.8999 8.8489 8.8832 9.6782 9.7035 10.2088 10.2125 k = 0.2541-0.4455 0.5802 ( 4578 PWs) bands (ev): -8.1520 -8.1512 -6.9847 -6.9830 -6.8549 -6.8541 -1.5348 -1.5178 0.9452 0.9531 1.3876 1.4145 2.0299 2.0343 2.8819 2.8828 2.9622 3.0156 3.0322 3.0412 3.0634 3.0973 3.1835 3.2089 4.3142 4.3194 4.3821 4.3988 4.4776 4.4965 4.5039 4.5232 4.6268 4.6759 5.1118 5.1351 5.4311 5.4521 5.7731 5.7785 6.0827 6.0834 6.4304 6.4414 6.7616 6.8045 8.8180 8.8481 9.6210 9.6429 10.2383 10.2406 k = 0.2603-0.4563 0.5629 ( 4574 PWs) bands (ev): -8.1653 -8.1646 -6.9880 -6.9865 -6.8611 -6.8604 -1.5121 -1.4971 0.9335 0.9403 1.4406 1.4633 2.0383 2.0396 2.8865 2.8874 2.9766 3.0257 3.0425 3.0476 3.0659 3.0995 3.1919 3.2168 4.3169 4.3176 4.3856 4.3963 4.4763 4.4994 4.5045 4.5183 4.6189 4.6696 5.1069 5.1280 5.4444 5.4583 5.7876 5.7955 6.1463 6.1464 6.4498 6.4587 6.6838 6.7195 8.7893 8.8154 9.5651 9.5839 10.2682 10.2691 k = 0.2665-0.4671 0.5457 ( 4566 PWs) bands (ev): -8.1768 -8.1762 -6.9908 -6.9896 -6.8665 -6.8659 -1.4926 -1.4795 0.9233 0.9290 1.4890 1.5074 2.0460 2.0473 2.8899 2.8910 2.9893 3.0319 3.0533 3.0541 3.0690 3.1013 3.2003 3.2239 4.3152 4.3185 4.3888 4.3939 4.4754 4.5024 4.5056 4.5128 4.6111 4.6616 5.1029 5.1214 5.4543 5.4622 5.8013 5.8108 6.2049 6.2054 6.4662 6.4723 6.6182 6.6462 8.7633 8.7854 9.5122 9.5280 10.2974 10.2979 k = 0.2726-0.4779 0.5284 ( 4570 PWs) bands (ev): -8.1866 -8.1861 -6.9933 -6.9922 -6.8712 -6.8707 -1.4762 -1.4652 0.9146 0.9193 1.5316 1.5458 2.0535 2.0567 2.8925 2.8937 3.0000 3.0354 3.0598 3.0632 3.0729 3.1027 3.2084 3.2299 4.3128 4.3185 4.3914 4.3919 4.4749 4.5054 4.5067 4.5070 4.6041 4.6522 5.0997 5.1155 5.4605 5.4639 5.8142 5.8242 6.2577 6.2587 6.4791 6.4809 6.5666 6.5855 8.7403 8.7586 9.4639 9.4769 10.3252 10.3269 k = 0.2788-0.4888 0.5112 ( 4564 PWs) bands (ev): -8.1947 -8.1943 -6.9954 -6.9945 -6.8750 -6.8746 -1.4627 -1.4538 0.9075 0.9113 1.5673 1.5777 2.0617 2.0660 2.8944 2.8957 3.0092 3.0371 3.0652 3.0702 3.0781 3.1035 3.2162 3.2348 4.3105 4.3173 4.3907 4.3934 4.4747 4.5005 4.5084 4.5087 4.5984 4.6417 5.0973 5.1103 5.4635 5.4641 5.8260 5.8356 6.3032 6.3049 6.4809 6.4874 6.5326 6.5386 8.7208 8.7353 9.4219 9.4321 10.3517 10.3544 k = 0.2850-0.4996 0.4939 ( 4562 PWs) bands (ev): -8.2009 -8.2006 -6.9969 -6.9963 -6.8779 -6.8776 -1.4520 -1.4453 0.9021 0.9049 1.5954 1.6024 2.0700 2.0744 2.8958 2.8970 3.0168 3.0374 3.0697 3.0742 3.0846 3.1037 3.2234 3.2382 4.3085 4.3150 4.3904 4.3946 4.4751 4.4943 4.5103 4.5112 4.5950 4.6306 5.0959 5.1058 5.4632 5.4642 5.8365 5.8447 6.3398 6.3421 6.4699 6.4848 6.5120 6.5189 8.7053 8.7162 9.3876 9.3952 10.3763 10.3795 k = 0.2911-0.5104 0.4767 ( 4566 PWs) bands (ev): -8.2054 -8.2052 -6.9981 -6.9976 -6.8800 -6.8798 -1.4441 -1.4397 0.8983 0.9002 1.6156 1.6199 2.0773 2.0809 2.8969 2.8978 3.0229 3.0365 3.0731 3.0763 3.0905 3.1031 3.2296 3.2400 4.3073 4.3122 4.3909 4.3949 4.4760 4.4887 4.5120 4.5133 4.5942 4.6198 5.0954 5.1021 5.4621 5.4635 5.8450 5.8509 6.3654 6.3682 6.4585 6.4691 6.5083 6.5150 8.6944 8.7016 9.3624 9.3674 10.3978 10.4009 k = 0.2973-0.5212 0.4594 ( 4559 PWs) bands (ev): -8.2081 -8.2080 -6.9987 -6.9985 -6.8813 -6.8812 -1.4390 -1.4367 0.8963 0.8972 1.6280 1.6301 2.0828 2.0848 2.8975 2.8982 3.0279 3.0346 3.0756 3.0772 3.0954 3.1016 3.2347 3.2400 4.3070 4.3096 4.3920 4.3945 4.4777 4.4839 4.5134 4.5143 4.5966 4.6100 5.0958 5.0992 5.4615 5.4623 5.8510 5.8541 6.3794 6.3816 6.4544 6.4590 6.5092 6.5127 8.6884 8.6920 9.3473 9.3498 10.4139 10.4159 k = 0.3035-0.5320 0.4422 ( 4567 PWs) bands (ev): -8.2089 -8.2089 -6.9988 -6.9988 -6.8817 -6.8817 -1.4365 -1.4365 0.8959 0.8959 1.6327 1.6328 2.0854 2.0854 2.8978 2.8983 3.0314 3.0321 3.0769 3.0771 3.0990 3.0992 3.2381 3.2383 4.3076 4.3079 4.3932 4.3935 4.4800 4.4804 4.5141 4.5145 4.6018 4.6022 5.0970 5.0971 5.4615 5.4615 5.8541 5.8542 6.3842 6.3843 6.4554 6.4554 6.5106 6.5106 8.6876 8.6876 9.3430 9.3430 10.4208 10.4208 k = 0.6965-0.0593 0.2864 ( 4567 PWs) bands (ev): -8.2089 -8.2089 -6.9988 -6.9988 -6.8817 -6.8817 -1.4365 -1.4365 0.8959 0.8959 1.6327 1.6328 2.0854 2.0854 2.8978 2.8983 3.0314 3.0321 3.0769 3.0771 3.0990 3.0992 3.2381 3.2383 4.3076 4.3079 4.3932 4.3935 4.4800 4.4804 4.5141 4.5145 4.6018 4.6022 5.0970 5.0971 5.4615 5.4615 5.8541 5.8542 6.3842 6.3843 6.4554 6.4554 6.5106 6.5106 8.6876 8.6876 9.3430 9.3430 10.4208 10.4208 k = 0.6880-0.0443 0.2739 ( 4563 PWs) bands (ev): -8.2129 -8.2129 -6.9809 -6.9809 -6.8965 -6.8965 -1.4309 -1.4309 0.9320 0.9321 1.6043 1.6044 2.0828 2.0828 2.8961 2.8966 3.0362 3.0369 3.0735 3.0737 3.0974 3.0976 3.2401 3.2403 4.3062 4.3065 4.3876 4.3879 4.4759 4.4763 4.5134 4.5138 4.6005 4.6010 5.0743 5.0744 5.5045 5.5045 5.8451 5.8451 6.3737 6.3737 6.4343 6.4343 6.5415 6.5415 8.6558 8.6558 9.3277 9.3278 10.3912 10.3912 k = 0.6794-0.0294 0.2615 ( 4559 PWs) bands (ev): -8.2178 -8.2178 -6.9617 -6.9617 -6.9111 -6.9111 -1.4266 -1.4266 0.9706 0.9706 1.5791 1.5791 2.0800 2.0800 2.8925 2.8929 3.0383 3.0391 3.0699 3.0701 3.0952 3.0955 3.2420 3.2421 4.3021 4.3024 4.3829 4.3832 4.4720 4.4724 4.5125 4.5129 4.6018 4.6023 5.0543 5.0544 5.5468 5.5468 5.8383 5.8383 6.3438 6.3438 6.4241 6.4242 6.5716 6.5716 8.6259 8.6259 9.3240 9.3240 10.3616 10.3616 k = 0.6709-0.0144 0.2490 ( 4569 PWs) bands (ev): -8.2236 -8.2236 -6.9414 -6.9413 -6.9252 -6.9252 -1.4236 -1.4236 1.0114 1.0114 1.5570 1.5571 2.0769 2.0770 2.8865 2.8870 3.0380 3.0387 3.0663 3.0665 3.0925 3.0927 3.2437 3.2439 4.2948 4.2950 4.3798 4.3801 4.4685 4.4688 4.5114 4.5118 4.6053 4.6058 5.0370 5.0372 5.5872 5.5872 5.8337 5.8337 6.3076 6.3076 6.4128 6.4128 6.6007 6.6007 8.5983 8.5983 9.3319 9.3319 10.3324 10.3324 k = 0.6623 0.0006 0.2366 ( 4577 PWs) bands (ev): -8.2301 -8.2301 -6.9393 -6.9393 -6.9197 -6.9197 -1.4221 -1.4221 1.0543 1.0543 1.5383 1.5383 2.0738 2.0738 2.8780 2.8784 3.0353 3.0359 3.0629 3.0631 3.0892 3.0894 3.2454 3.2455 4.2847 4.2849 4.3785 4.3788 4.4652 4.4655 4.5100 4.5104 4.6107 4.6113 5.0225 5.0227 5.6242 5.6243 5.8311 5.8312 6.2712 6.2712 6.3954 6.3954 6.6288 6.6288 8.5734 8.5734 9.3511 9.3511 10.3036 10.3037 k = 0.6538 0.0156 0.2241 ( 4577 PWs) bands (ev): -8.2372 -8.2372 -6.9526 -6.9526 -6.8977 -6.8977 -1.4219 -1.4219 1.0992 1.0992 1.5228 1.5229 2.0705 2.0705 2.8667 2.8670 3.0306 3.0310 3.0600 3.0601 3.0855 3.0857 3.2471 3.2472 4.2726 4.2728 4.3786 4.3790 4.4623 4.4625 4.5085 4.5089 4.6179 4.6185 5.0109 5.0111 5.6560 5.6561 5.8306 5.8307 6.2377 6.2377 6.3712 6.3712 6.6558 6.6558 8.5514 8.5514 9.3812 9.3812 10.2756 10.2756 k = 0.6453 0.0306 0.2117 ( 4569 PWs) bands (ev): -8.2446 -8.2446 -6.9656 -6.9656 -6.8752 -6.8752 -1.4230 -1.4230 1.1460 1.1460 1.5105 1.5106 2.0671 2.0671 2.8522 2.8525 3.0243 3.0245 3.0572 3.0574 3.0815 3.0817 3.2488 3.2489 4.2593 4.2595 4.3797 4.3800 4.4596 4.4598 4.5070 4.5074 4.6269 4.6275 5.0022 5.0024 5.6802 5.6802 5.8319 5.8320 6.2094 6.2095 6.3405 6.3405 6.6816 6.6817 8.5325 8.5325 9.4215 9.4215 10.2484 10.2484 k = 0.6367 0.0455 0.1992 ( 4569 PWs) bands (ev): -8.2523 -8.2523 -6.9780 -6.9780 -6.8524 -6.8524 -1.4254 -1.4254 1.1944 1.1944 1.5014 1.5014 2.0636 2.0637 2.8343 2.8345 3.0167 3.0168 3.0546 3.0548 3.0775 3.0777 3.2505 3.2506 4.2455 4.2456 4.3811 4.3814 4.4572 4.4574 4.5054 4.5058 4.6374 4.6380 4.9962 4.9964 5.6941 5.6942 5.8347 5.8348 6.1889 6.1889 6.3041 6.3041 6.7062 6.7062 8.5168 8.5168 9.4712 9.4713 10.2222 10.2222 k = 0.6282 0.0605 0.1868 ( 4577 PWs) bands (ev): -8.2602 -8.2602 -6.9899 -6.9899 -6.8296 -6.8296 -1.4289 -1.4289 1.2443 1.2443 1.4953 1.4953 2.0602 2.0602 2.8129 2.8131 3.0081 3.0082 3.0519 3.0522 3.0737 3.0738 3.2521 3.2522 4.2315 4.2316 4.3824 4.3828 4.4550 4.4551 4.5038 4.5042 4.6494 4.6500 4.9931 4.9933 5.6959 5.6960 5.8388 5.8388 6.1774 6.1775 6.2635 6.2635 6.7295 6.7295 8.5043 8.5043 9.5295 9.5296 10.1972 10.1972 k = 0.6196 0.0755 0.1743 ( 4585 PWs) bands (ev): -8.2681 -8.2681 -7.0013 -7.0013 -6.8070 -6.8070 -1.4335 -1.4335 1.2954 1.2954 1.4922 1.4922 2.0568 2.0568 2.7881 2.7882 2.9986 2.9988 3.0492 3.0496 3.0703 3.0704 3.2538 3.2539 4.2179 4.2180 4.3836 4.3839 4.4532 4.4533 4.5023 4.5027 4.6631 4.6636 4.9926 4.9928 5.6850 5.6850 5.8437 5.8438 6.1724 6.1725 6.2227 6.2228 6.7514 6.7514 8.4949 8.4949 9.5954 9.5954 10.1735 10.1735 k = 0.6111 0.0905 0.1619 ( 4589 PWs) bands (ev): -8.2759 -8.2759 -7.0120 -7.0120 -6.7849 -6.7849 -1.4389 -1.4389 1.3471 1.3471 1.4921 1.4921 2.0534 2.0535 2.7599 2.7600 2.9884 2.9887 3.0466 3.0470 3.0674 3.0675 3.2554 3.2555 4.2048 4.2049 4.3844 4.3847 4.4518 4.4519 4.5008 4.5012 4.6783 4.6789 4.9948 4.9950 5.6624 5.6624 5.8495 5.8496 6.1517 6.1518 6.2037 6.2038 6.7718 6.7718 8.4885 8.4885 9.6679 9.6679 10.1513 10.1513 k = 0.6025 0.1054 0.1494 ( 4585 PWs) bands (ev): -8.2835 -8.2835 -7.0220 -7.0220 -6.7634 -6.7634 -1.4451 -1.4451 1.3983 1.3984 1.4957 1.4958 2.0502 2.0503 2.7286 2.7286 2.9776 2.9780 3.0442 3.0447 3.0650 3.0651 3.2571 3.2572 4.1924 4.1925 4.3847 4.3849 4.4508 4.4509 4.4995 4.4998 4.6952 4.6958 4.9996 4.9998 5.6304 5.6305 5.8560 5.8560 6.1059 6.1061 6.2143 6.2143 6.7909 6.7909 8.4848 8.4849 9.7460 9.7460 10.1306 10.1306 k = 0.5940 0.1204 0.1370 ( 4582 PWs) bands (ev): -8.2908 -8.2908 -7.0314 -7.0314 -6.7428 -6.7428 -1.4517 -1.4517 1.4450 1.4452 1.5065 1.5067 2.0472 2.0472 2.6942 2.6943 2.9663 2.9667 3.0421 3.0425 3.0631 3.0632 3.2587 3.2588 4.1808 4.1809 4.3844 4.3847 4.4504 4.4505 4.4982 4.4986 4.7138 4.7143 5.0069 5.0071 5.5917 5.5918 5.8630 5.8630 6.0542 6.0543 6.2336 6.2337 6.8084 6.8084 8.4836 8.4836 9.8285 9.8285 10.1117 10.1117 k = 0.5854 0.1354 0.1245 ( 4590 PWs) bands (ev): -8.2978 -8.2978 -7.0400 -7.0400 -6.7232 -6.7232 -1.4587 -1.4587 1.4756 1.4758 1.5357 1.5359 2.0444 2.0444 2.6572 2.6573 2.9547 2.9551 3.0402 3.0406 3.0615 3.0616 3.2602 3.2603 4.1701 4.1702 4.3836 4.3839 4.4503 4.4505 4.4971 4.4974 4.7340 4.7345 5.0164 5.0166 5.5484 5.5484 5.8702 5.8702 6.0009 6.0010 6.2560 6.2560 6.8245 6.8245 8.4844 8.4844 9.9139 9.9139 10.0954 10.0954 k = 0.5769 0.1504 0.1121 ( 4598 PWs) bands (ev): -8.3043 -8.3043 -7.0479 -7.0479 -6.7049 -6.7049 -1.4657 -1.4657 1.4895 1.4897 1.5831 1.5833 2.0419 2.0419 2.6179 2.6179 2.9431 2.9435 3.0387 3.0390 3.0602 3.0602 3.2616 3.2617 4.1604 4.1605 4.3823 4.3826 4.4506 4.4508 4.4960 4.4963 4.7560 4.7565 5.0280 5.0283 5.5023 5.5023 5.8774 5.8774 5.9477 5.9478 6.2792 6.2792 6.8390 6.8390 8.4868 8.4868 9.9974 9.9975 10.0852 10.0853 k = 0.5684 0.1654 0.0996 ( 4600 PWs) bands (ev): -8.3103 -8.3103 -7.0551 -7.0551 -6.6880 -6.6880 -1.4727 -1.4727 1.4986 1.4987 1.6363 1.6365 2.0397 2.0398 2.5764 2.5764 2.9317 2.9320 3.0374 3.0377 3.0592 3.0592 3.2630 3.2631 4.1517 4.1518 4.3809 4.3811 4.4512 4.4514 4.4951 4.4953 4.7797 4.7802 5.0415 5.0418 5.4546 5.4547 5.8824 5.8825 5.8973 5.8974 6.3017 6.3017 6.8520 6.8520 8.4904 8.4904 10.0432 10.0433 10.1158 10.1159 k = 0.5598 0.1803 0.0872 ( 4606 PWs) bands (ev): -8.3157 -8.3157 -7.0614 -7.0614 -6.6727 -6.6727 -1.4794 -1.4794 1.5063 1.5065 1.6909 1.6910 2.0380 2.0381 2.5332 2.5332 2.9208 2.9211 3.0364 3.0367 3.0583 3.0584 3.2643 3.2643 4.1440 4.1440 4.3792 4.3794 4.4520 4.4521 4.4942 4.4944 4.8052 4.8056 5.0564 5.0567 5.4066 5.4066 5.8433 5.8434 5.8926 5.8926 6.3228 6.3228 6.8635 6.8635 8.4948 8.4948 10.0394 10.0394 10.1874 10.1877 k = 0.5513 0.1953 0.0747 ( 4606 PWs) bands (ev): -8.3205 -8.3205 -7.0670 -7.0670 -6.6591 -6.6591 -1.4856 -1.4856 1.5135 1.5136 1.7453 1.7454 2.0369 2.0370 2.4887 2.4888 2.9106 2.9109 3.0356 3.0359 3.0576 3.0577 3.2654 3.2654 4.1373 4.1373 4.3775 4.3777 4.4528 4.4530 4.4935 4.4937 4.8322 4.8326 5.0722 5.0725 5.3590 5.3591 5.7957 5.7958 5.8986 5.8987 6.3418 6.3418 6.8734 6.8734 8.4995 8.4995 10.0299 10.0299 10.2089 10.2090 k = 0.5427 0.2103 0.0623 ( 4622 PWs) bands (ev): -8.3246 -8.3246 -7.0717 -7.0717 -6.6474 -6.6474 -1.4912 -1.4912 1.5200 1.5201 1.7983 1.7984 2.0367 2.0367 2.4436 2.4437 2.9015 2.9017 3.0350 3.0353 3.0571 3.0571 3.2664 3.2664 4.1315 4.1316 4.3759 4.3760 4.4536 4.4537 4.4928 4.4930 4.8606 4.8610 5.0881 5.0884 5.3128 5.3129 5.7516 5.7516 5.9042 5.9042 6.3583 6.3583 6.8818 6.8818 8.5042 8.5042 10.0208 10.0208 10.2241 10.2241 k = 0.5342 0.2253 0.0498 ( 4626 PWs) bands (ev): -8.3281 -8.3281 -7.0756 -7.0756 -6.6376 -6.6376 -1.4959 -1.4959 1.5258 1.5258 1.8484 1.8485 2.0377 2.0377 2.3988 2.3989 2.8937 2.8939 3.0346 3.0348 3.0567 3.0567 3.2672 3.2672 4.1269 4.1269 4.3744 4.3745 4.4543 4.4544 4.4923 4.4924 4.8901 4.8905 5.1029 5.1033 5.2692 5.2693 5.7123 5.7124 5.9090 5.9090 6.3721 6.3721 6.8887 6.8887 8.5084 8.5084 10.0130 10.0130 10.2399 10.2400 k = 0.5256 0.2403 0.0374 ( 4622 PWs) bands (ev): -8.3308 -8.3308 -7.0786 -7.0786 -6.6300 -6.6300 -1.4998 -1.4998 1.5305 1.5306 1.8933 1.8934 2.0407 2.0408 2.3558 2.3558 2.8874 2.8875 3.0343 3.0344 3.0564 3.0564 3.2678 3.2679 4.1233 4.1233 4.3732 4.3733 4.4550 4.4551 4.4919 4.4920 4.9199 4.9202 5.1146 5.1150 5.2303 5.2304 5.6794 5.6794 5.9129 5.9129 6.3830 6.3830 6.8940 6.8940 8.5121 8.5121 10.0068 10.0068 10.2553 10.2553 k = 0.5171 0.2552 0.0249 ( 4616 PWs) bands (ev): -8.3327 -8.3327 -7.0808 -7.0808 -6.6244 -6.6244 -1.5026 -1.5026 1.5341 1.5341 1.9293 1.9294 2.0468 2.0468 2.3173 2.3174 2.8827 2.8828 3.0341 3.0342 3.0562 3.0562 3.2684 3.2684 4.1207 4.1207 4.3724 4.3724 4.4555 4.4555 4.4917 4.4917 4.9482 4.9485 5.1195 5.1200 5.2001 5.2003 5.6541 5.6542 5.9158 5.9158 6.3908 6.3908 6.8979 6.8979 8.5148 8.5148 10.0023 10.0023 10.2682 10.2682 k = 0.5085 0.2702 0.0125 ( 4620 PWs) bands (ev): -8.3339 -8.3339 -7.0821 -7.0821 -6.6211 -6.6211 -1.5043 -1.5043 1.5363 1.5363 1.9519 1.9519 2.0549 2.0550 2.2888 2.2888 2.8799 2.8799 3.0340 3.0341 3.0561 3.0561 3.2686 3.2686 4.1192 4.1192 4.3718 4.3718 4.4558 4.4558 4.4915 4.4915 4.9711 4.9713 5.1154 5.1157 5.1840 5.1841 5.6382 5.6382 5.9175 5.9175 6.3956 6.3956 6.9002 6.9002 8.5165 8.5165 9.9996 9.9996 10.2769 10.2769 k = 0.5000 0.2852-0.0000 ( 4624 PWs) bands (ev): -8.3343 -8.3343 -7.0826 -7.0826 -6.6200 -6.6200 -1.5049 -1.5049 1.5370 1.5370 1.9593 1.9593 2.0593 2.0593 2.2777 2.2777 2.8789 2.8789 3.0340 3.0340 3.0561 3.0561 3.2687 3.2687 4.1185 4.1185 4.3716 4.3716 4.4559 4.4559 4.4915 4.4915 4.9807 4.9807 5.1110 5.1110 5.1800 5.1800 5.6327 5.6327 5.9181 5.9181 6.3971 6.3971 6.9009 6.9009 8.5171 8.5171 9.9987 9.9987 10.2800 10.2800 Writing output data file Cu2GeSe3.save init_run : 2.70s CPU 11.76s WALL ( 1 calls) electrons : 928.93s CPU 938.64s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.52s CPU 1.65s WALL ( 1 calls) Called by electrons: c_bands : 928.91s CPU 938.26s WALL ( 1 calls) v_of_rho : 0.22s CPU 0.97s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.22s CPU 0.66s WALL ( 1 calls) newd : 0.35s CPU 0.49s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.24s WALL ( 358 calls) cegterg : 846.35s CPU 851.43s WALL ( 749 calls) Called by sum_band: Called by *egterg: h_psi : 539.77s CPU 547.74s WALL ( 10852 calls) s_psi : 19.67s CPU 19.98s WALL ( 10852 calls) g_psi : 0.71s CPU 0.81s WALL ( 9745 calls) cdiaghg : 225.78s CPU 223.35s WALL ( 10103 calls) cegterg:over : 54.57s CPU 52.40s WALL ( 9745 calls) cegterg:upda : 12.40s CPU 15.32s WALL ( 9745 calls) cegterg:last : 10.13s CPU 10.84s WALL ( 1892 calls) Called by h_psi: h_psi:vloc : 495.85s CPU 502.50s WALL ( 10852 calls) h_psi:vnl : 43.61s CPU 44.43s WALL ( 10852 calls) add_vuspsi : 13.23s CPU 16.18s WALL ( 10852 calls) General routines calbec : 30.33s CPU 28.09s WALL ( 10852 calls) fft : 0.59s CPU 1.50s WALL ( 19 calls) ffts : 0.01s CPU 0.11s WALL ( 4 calls) fftw : 471.91s CPU 474.77s WALL ( 1232436 calls) interpolate : 0.11s CPU 0.20s WALL ( 4 calls) davcio : 0.04s CPU 3.04s WALL ( 716 calls) Parallel routines fft_scatter : 260.77s CPU 259.50s WALL ( 1232459 calls) PWSCF : 16m36.42s CPU 18m23.00s WALL This run was terminated on: 2:44:21 19Oct2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=