Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:33:42 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TiAu2.save/ file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 68 51 15 1375 894 141 Max 69 52 16 1378 909 143 Sum 2481 1867 551 49541 32445 5109 bravais-lattice index = 14 lattice parameter (alat) = 9.2513 a.u. unit-cell volume = 335.8137 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.251329 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.756130 celldm(5)= -0.756130 celldm(6)= 0.512261 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.512261 0.858830 0.000000 ) a(3) = ( -0.756130 -0.429415 0.493832 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.596464 1.012491 ) b(2) = ( 0.000000 1.164375 1.012491 ) b(3) = ( 0.000000 0.000000 2.024982 ) PseudoPot. # 1 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 PseudoPot. # 2 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd 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 1279 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 Ti 12.00 47.86700 Ti( 1.00) Au 11.00 196.96660 Au( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 418 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023923 k( 2) = ( 0.0000000 0.0000000 0.0155768), wk = 0.0023923 k( 3) = ( 0.0000000 0.0000000 0.0311536), wk = 0.0023923 k( 4) = ( 0.0000000 0.0000000 0.0467304), wk = 0.0023923 k( 5) = ( 0.0000000 0.0000000 0.0623071), wk = 0.0023923 k( 6) = ( 0.0000000 0.0000000 0.0778839), wk = 0.0023923 k( 7) = ( 0.0000000 0.0000000 0.0934607), wk = 0.0023923 k( 8) = ( 0.0000000 0.0000000 0.1090375), wk = 0.0023923 k( 9) = ( 0.0000000 0.0000000 0.1246143), wk = 0.0023923 k( 10) = ( 0.0000000 0.0000000 0.1401911), wk = 0.0023923 k( 11) = ( 0.0000000 0.0000000 0.1557679), wk = 0.0023923 k( 12) = ( 0.0000000 0.0000000 0.1713446), wk = 0.0023923 k( 13) = ( 0.0000000 0.0000000 0.1869214), wk = 0.0023923 k( 14) = ( 0.0000000 0.0000000 0.2024982), wk = 0.0023923 k( 15) = ( 0.0000000 0.0000000 0.2180750), wk = 0.0023923 k( 16) = ( 0.0000000 0.0000000 0.2336518), wk = 0.0023923 k( 17) = ( 0.0000000 0.0000000 0.2492286), wk = 0.0023923 k( 18) = ( 0.0000000 0.0000000 0.2648054), wk = 0.0023923 k( 19) = ( 0.0000000 0.0000000 0.2803821), wk = 0.0023923 k( 20) = ( 0.0000000 0.0000000 0.2959589), wk = 0.0023923 k( 21) = ( 0.0000000 0.0000000 0.3115357), wk = 0.0023923 k( 22) = ( 0.0000000 0.0000000 0.3271125), wk = 0.0023923 k( 23) = ( 0.0000000 0.0000000 0.3426893), wk = 0.0023923 k( 24) = ( 0.0000000 0.0000000 0.3582661), wk = 0.0023923 k( 25) = ( 0.0000000 0.0000000 0.3738428), wk = 0.0023923 k( 26) = ( 0.0000000 0.0000000 0.3894196), wk = 0.0023923 k( 27) = ( 0.0000000 0.0000000 0.4049964), wk = 0.0023923 k( 28) = ( 0.0000000 0.0000000 0.4205732), wk = 0.0023923 k( 29) = ( 0.0000000 0.0000000 0.4361500), wk = 0.0023923 k( 30) = ( 0.0000000 0.0000000 0.4517268), wk = 0.0023923 k( 31) = ( 0.0000000 0.0000000 0.4673036), wk = 0.0023923 k( 32) = ( 0.0000000 0.0000000 0.4828804), wk = 0.0023923 k( 33) = ( 0.0000000 0.0000000 0.4984571), wk = 0.0023923 k( 34) = ( 0.0000000 0.0000000 0.5140339), wk = 0.0023923 k( 35) = ( 0.0000000 0.0000000 0.5296107), wk = 0.0023923 k( 36) = ( 0.0000000 0.0000000 0.5451875), wk = 0.0023923 k( 37) = ( 0.0000000 0.0000000 0.5607643), wk = 0.0023923 k( 38) = ( 0.0000000 0.0000000 0.5763411), wk = 0.0023923 k( 39) = ( 0.0000000 0.0000000 0.5919178), wk = 0.0023923 k( 40) = ( 0.0000000 0.0000000 0.6074946), wk = 0.0023923 k( 41) = ( 0.0000000 0.0000000 0.6230714), wk = 0.0023923 k( 42) = ( 0.0000000 0.0000000 0.6386482), wk = 0.0023923 k( 43) = ( 0.0000000 0.0000000 0.6542250), wk = 0.0023923 k( 44) = ( 0.0000000 0.0000000 0.6698018), wk = 0.0023923 k( 45) = ( 0.0000000 0.0000000 0.6853786), wk = 0.0023923 k( 46) = ( 0.0000000 0.0000000 0.7009554), wk = 0.0023923 k( 47) = ( 0.0000000 0.0000000 0.7165321), wk = 0.0023923 k( 48) = ( 0.0000000 0.0000000 0.7321089), wk = 0.0023923 k( 49) = ( 0.0000000 0.0000000 0.7476857), wk = 0.0023923 k( 50) = ( 0.0000000 0.0000000 0.7632625), wk = 0.0023923 k( 51) = ( 0.0000000 0.0000000 0.7788393), wk = 0.0023923 k( 52) = ( 0.0000000 0.0000000 0.7944161), wk = 0.0023923 k( 53) = ( 0.0000000 0.0000000 0.8099928), wk = 0.0023923 k( 54) = ( 0.0000000 0.0000000 0.8255696), wk = 0.0023923 k( 55) = ( 0.0000000 0.0000000 0.8411464), wk = 0.0023923 k( 56) = ( 0.0000000 0.0000000 0.8567232), wk = 0.0023923 k( 57) = ( 0.0000000 0.0000000 0.8723000), wk = 0.0023923 k( 58) = ( 0.0000000 0.0000000 0.8878768), wk = 0.0023923 k( 59) = ( 0.0000000 0.0000000 0.9034536), wk = 0.0023923 k( 60) = ( 0.0000000 0.0000000 0.9190303), wk = 0.0023923 k( 61) = ( 0.0000000 0.0000000 0.9346071), wk = 0.0023923 k( 62) = ( 0.0000000 0.0000000 0.9501839), wk = 0.0023923 k( 63) = ( 0.0000000 0.0000000 0.9657607), wk = 0.0023923 k( 64) = ( 0.0000000 0.0000000 0.9813375), wk = 0.0023923 k( 65) = ( 0.0000000 0.0000000 0.9969143), wk = 0.0023923 k( 66) = ( 0.0000000 0.0000000 1.0124911), wk = 0.0023923 k( 67) = ( 0.0000000 0.0000000 1.0124911), wk = 0.0023923 k( 68) = ( -0.0073301 0.0129071 1.0124911), wk = 0.0023923 k( 69) = ( -0.0146601 0.0258141 1.0124911), wk = 0.0023923 k( 70) = ( -0.0219902 0.0387212 1.0124911), wk = 0.0023923 k( 71) = ( -0.0293203 0.0516283 1.0124911), wk = 0.0023923 k( 72) = ( -0.0366504 0.0645354 1.0124911), wk = 0.0023923 k( 73) = ( -0.0439804 0.0774424 1.0124911), wk = 0.0023923 k( 74) = ( -0.0513105 0.0903495 1.0124911), wk = 0.0023923 k( 75) = ( -0.0586406 0.1032566 1.0124911), wk = 0.0023923 k( 76) = ( -0.0659707 0.1161637 1.0124911), wk = 0.0023923 k( 77) = ( -0.0733007 0.1290707 1.0124911), wk = 0.0023923 k( 78) = ( -0.0806308 0.1419778 1.0124911), wk = 0.0023923 k( 79) = ( -0.0806308 0.1419778 1.0124911), wk = 0.0023923 k( 80) = ( -0.0860073 0.1514450 1.0016037), wk = 0.0023923 k( 81) = ( -0.0913839 0.1609122 0.9907163), wk = 0.0023923 k( 82) = ( -0.0967604 0.1703794 0.9798289), wk = 0.0023923 k( 83) = ( -0.1021369 0.1798466 0.9689416), wk = 0.0023923 k( 84) = ( -0.1075134 0.1893138 0.9580542), wk = 0.0023923 k( 85) = ( -0.1128900 0.1987810 0.9471668), wk = 0.0023923 k( 86) = ( -0.1182665 0.2082482 0.9362794), wk = 0.0023923 k( 87) = ( -0.1236430 0.2177154 0.9253921), wk = 0.0023923 k( 88) = ( -0.1290195 0.2271826 0.9145047), wk = 0.0023923 k( 89) = ( -0.1343961 0.2366498 0.9036173), wk = 0.0023923 k( 90) = ( -0.1397726 0.2461170 0.8927299), wk = 0.0023923 k( 91) = ( -0.1451491 0.2555842 0.8818426), wk = 0.0023923 k( 92) = ( -0.1505257 0.2650514 0.8709552), wk = 0.0023923 k( 93) = ( -0.1559022 0.2745186 0.8600678), wk = 0.0023923 k( 94) = ( -0.1612787 0.2839858 0.8491804), wk = 0.0023923 k( 95) = ( -0.1666552 0.2934530 0.8382931), wk = 0.0023923 k( 96) = ( -0.1720318 0.3029202 0.8274057), wk = 0.0023923 k( 97) = ( -0.1774083 0.3123874 0.8165183), wk = 0.0023923 k( 98) = ( -0.1827848 0.3218546 0.8056310), wk = 0.0023923 k( 99) = ( -0.1881614 0.3313218 0.7947436), wk = 0.0023923 k( 100) = ( -0.1935379 0.3407890 0.7838562), wk = 0.0023923 k( 101) = ( -0.1989144 0.3502562 0.7729688), wk = 0.0023923 k( 102) = ( -0.2042909 0.3597234 0.7620815), wk = 0.0023923 k( 103) = ( -0.2096675 0.3691906 0.7511941), wk = 0.0023923 k( 104) = ( -0.2150440 0.3786578 0.7403067), wk = 0.0023923 k( 105) = ( -0.2204205 0.3881250 0.7294193), wk = 0.0023923 k( 106) = ( -0.2257970 0.3975922 0.7185320), wk = 0.0023923 k( 107) = ( -0.2311736 0.4070594 0.7076446), wk = 0.0023923 k( 108) = ( -0.2365501 0.4165266 0.6967572), wk = 0.0023923 k( 109) = ( -0.2419266 0.4259938 0.6858698), wk = 0.0023923 k( 110) = ( -0.2473032 0.4354610 0.6749825), wk = 0.0023923 k( 111) = ( -0.2526797 0.4449282 0.6640951), wk = 0.0023923 k( 112) = ( -0.2580562 0.4543954 0.6532077), wk = 0.0023923 k( 113) = ( -0.2634327 0.4638626 0.6423204), wk = 0.0023923 k( 114) = ( -0.2688093 0.4733298 0.6314330), wk = 0.0023923 k( 115) = ( -0.2741858 0.4827970 0.6205456), wk = 0.0023923 k( 116) = ( -0.2795623 0.4922642 0.6096582), wk = 0.0023923 k( 117) = ( -0.2849389 0.5017314 0.5987708), wk = 0.0023923 k( 118) = ( -0.2903154 0.5111985 0.5878835), wk = 0.0023923 k( 119) = ( -0.2903154 0.5111985 0.5878835), wk = 0.0023923 k( 120) = ( -0.2849392 0.5017319 0.5769967), wk = 0.0023923 k( 121) = ( -0.2795630 0.4922653 0.5661100), wk = 0.0023923 k( 122) = ( -0.2741868 0.4827986 0.5552233), wk = 0.0023923 k( 123) = ( -0.2688105 0.4733320 0.5443366), wk = 0.0023923 k( 124) = ( -0.2634343 0.4638654 0.5334498), wk = 0.0023923 k( 125) = ( -0.2580581 0.4543987 0.5225631), wk = 0.0023923 k( 126) = ( -0.2526819 0.4449321 0.5116764), wk = 0.0023923 k( 127) = ( -0.2473057 0.4354654 0.5007896), wk = 0.0023923 k( 128) = ( -0.2419295 0.4259988 0.4899029), wk = 0.0023923 k( 129) = ( -0.2365533 0.4165321 0.4790162), wk = 0.0023923 k( 130) = ( -0.2311771 0.4070655 0.4681294), wk = 0.0023923 k( 131) = ( -0.2258009 0.3975989 0.4572427), wk = 0.0023923 k( 132) = ( -0.2204246 0.3881322 0.4463560), wk = 0.0023923 k( 133) = ( -0.2150484 0.3786656 0.4354692), wk = 0.0023923 k( 134) = ( -0.2096722 0.3691990 0.4245825), wk = 0.0023923 k( 135) = ( -0.2042960 0.3597323 0.4136958), wk = 0.0023923 k( 136) = ( -0.1989198 0.3502657 0.4028091), wk = 0.0023923 k( 137) = ( -0.1935436 0.3407990 0.3919223), wk = 0.0023923 k( 138) = ( -0.1881674 0.3313324 0.3810356), wk = 0.0023923 k( 139) = ( -0.1827912 0.3218657 0.3701488), wk = 0.0023923 k( 140) = ( -0.1774150 0.3123991 0.3592621), wk = 0.0023923 k( 141) = ( -0.1720387 0.3029325 0.3483754), wk = 0.0023923 k( 142) = ( -0.1666625 0.2934658 0.3374887), wk = 0.0023923 k( 143) = ( -0.1612863 0.2839992 0.3266019), wk = 0.0023923 k( 144) = ( -0.1559101 0.2745326 0.3157152), wk = 0.0023923 k( 145) = ( -0.1505339 0.2650659 0.3048285), wk = 0.0023923 k( 146) = ( -0.1451577 0.2555993 0.2939417), wk = 0.0023923 k( 147) = ( -0.1397815 0.2461326 0.2830550), wk = 0.0023923 k( 148) = ( -0.1344053 0.2366660 0.2721683), wk = 0.0023923 k( 149) = ( -0.1290291 0.2271993 0.2612815), wk = 0.0023923 k( 150) = ( -0.1236528 0.2177327 0.2503948), wk = 0.0023923 k( 151) = ( -0.1182766 0.2082661 0.2395081), wk = 0.0023923 k( 152) = ( -0.1129004 0.1987994 0.2286214), wk = 0.0023923 k( 153) = ( -0.1075242 0.1893328 0.2177346), wk = 0.0023923 k( 154) = ( -0.1021480 0.1798662 0.2068479), wk = 0.0023923 k( 155) = ( -0.0967718 0.1703995 0.1959612), wk = 0.0023923 k( 156) = ( -0.0913956 0.1609329 0.1850744), wk = 0.0023923 k( 157) = ( -0.0860194 0.1514662 0.1741877), wk = 0.0023923 k( 158) = ( -0.0806432 0.1419996 0.1633010), wk = 0.0023923 k( 159) = ( -0.0752669 0.1325330 0.1524142), wk = 0.0023923 k( 160) = ( -0.0698907 0.1230663 0.1415275), wk = 0.0023923 k( 161) = ( -0.0645145 0.1135997 0.1306408), wk = 0.0023923 k( 162) = ( -0.0591383 0.1041330 0.1197540), wk = 0.0023923 k( 163) = ( -0.0537621 0.0946664 0.1088673), wk = 0.0023923 k( 164) = ( -0.0483859 0.0851998 0.0979806), wk = 0.0023923 k( 165) = ( -0.0430097 0.0757331 0.0870939), wk = 0.0023923 k( 166) = ( -0.0376335 0.0662665 0.0762071), wk = 0.0023923 k( 167) = ( -0.0322573 0.0567998 0.0653204), wk = 0.0023923 k( 168) = ( -0.0268811 0.0473332 0.0544337), wk = 0.0023923 k( 169) = ( -0.0215048 0.0378666 0.0435469), wk = 0.0023923 k( 170) = ( -0.0161286 0.0283999 0.0326602), wk = 0.0023923 k( 171) = ( -0.0107524 0.0189333 0.0217735), wk = 0.0023923 k( 172) = ( -0.0053762 0.0094666 0.0108867), wk = 0.0023923 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023923 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023923 k( 175) = ( 0.0135135 0.0076745 -0.0000000), wk = 0.0023923 k( 176) = ( 0.0270270 0.0153490 -0.0000000), wk = 0.0023923 k( 177) = ( 0.0405405 0.0230234 -0.0000000), wk = 0.0023923 k( 178) = ( 0.0540540 0.0306979 -0.0000000), wk = 0.0023923 k( 179) = ( 0.0675676 0.0383724 0.0000000), wk = 0.0023923 k( 180) = ( 0.0810811 0.0460469 -0.0000000), wk = 0.0023923 k( 181) = ( 0.0945946 0.0537213 -0.0000000), wk = 0.0023923 k( 182) = ( 0.1081081 0.0613958 -0.0000000), wk = 0.0023923 k( 183) = ( 0.1216216 0.0690703 0.0000000), wk = 0.0023923 k( 184) = ( 0.1351351 0.0767448 0.0000000), wk = 0.0023923 k( 185) = ( 0.1486486 0.0844192 -0.0000000), wk = 0.0023923 k( 186) = ( 0.1621622 0.0920937 -0.0000000), wk = 0.0023923 k( 187) = ( 0.1756757 0.0997682 0.0000000), wk = 0.0023923 k( 188) = ( 0.1891892 0.1074427 0.0000000), wk = 0.0023923 k( 189) = ( 0.2027027 0.1151171 0.0000000), wk = 0.0023923 k( 190) = ( 0.2162162 0.1227916 -0.0000000), wk = 0.0023923 k( 191) = ( 0.2297297 0.1304661 -0.0000000), wk = 0.0023923 k( 192) = ( 0.2432432 0.1381406 0.0000000), wk = 0.0023923 k( 193) = ( 0.2567568 0.1458150 0.0000000), wk = 0.0023923 k( 194) = ( 0.2702703 0.1534895 0.0000000), wk = 0.0023923 k( 195) = ( 0.2837838 0.1611640 0.0000000), wk = 0.0023923 k( 196) = ( 0.2972973 0.1688385 -0.0000000), wk = 0.0023923 k( 197) = ( 0.3108108 0.1765129 -0.0000000), wk = 0.0023923 k( 198) = ( 0.3243243 0.1841874 -0.0000000), wk = 0.0023923 k( 199) = ( 0.3378378 0.1918619 0.0000000), wk = 0.0023923 k( 200) = ( 0.3513514 0.1995364 0.0000000), wk = 0.0023923 k( 201) = ( 0.3648649 0.2072108 0.0000000), wk = 0.0023923 k( 202) = ( 0.3783784 0.2148853 0.0000000), wk = 0.0023923 k( 203) = ( 0.3918919 0.2225598 0.0000000), wk = 0.0023923 k( 204) = ( 0.4054054 0.2302343 -0.0000000), wk = 0.0023923 k( 205) = ( 0.4189189 0.2379088 -0.0000000), wk = 0.0023923 k( 206) = ( 0.4324324 0.2455832 -0.0000000), wk = 0.0023923 k( 207) = ( 0.4459459 0.2532577 -0.0000000), wk = 0.0023923 k( 208) = ( 0.4594595 0.2609322 -0.0000000), wk = 0.0023923 k( 209) = ( 0.4729730 0.2686067 0.0000000), wk = 0.0023923 k( 210) = ( 0.4864865 0.2762811 0.0000000), wk = 0.0023923 k( 211) = ( 0.5000000 0.2839556 0.0000000), wk = 0.0023923 k( 212) = ( 0.5000000 0.2839556 0.0000000), wk = 0.0023923 k( 213) = ( 0.4946235 0.2934228 0.0108874), wk = 0.0023923 k( 214) = ( 0.4892469 0.3028900 0.0217748), wk = 0.0023923 k( 215) = ( 0.4838704 0.3123572 0.0326621), wk = 0.0023923 k( 216) = ( 0.4784939 0.3218244 0.0435495), wk = 0.0023923 k( 217) = ( 0.4731174 0.3312916 0.0544369), wk = 0.0023923 k( 218) = ( 0.4677408 0.3407588 0.0653242), wk = 0.0023923 k( 219) = ( 0.4623643 0.3502260 0.0762116), wk = 0.0023923 k( 220) = ( 0.4569878 0.3596932 0.0870990), wk = 0.0023923 k( 221) = ( 0.4516112 0.3691604 0.0979864), wk = 0.0023923 k( 222) = ( 0.4462347 0.3786276 0.1088737), wk = 0.0023923 k( 223) = ( 0.4408582 0.3880948 0.1197611), wk = 0.0023923 k( 224) = ( 0.4354817 0.3975620 0.1306485), wk = 0.0023923 k( 225) = ( 0.4301051 0.4070292 0.1415359), wk = 0.0023923 k( 226) = ( 0.4247286 0.4164964 0.1524232), wk = 0.0023923 k( 227) = ( 0.4193521 0.4259636 0.1633106), wk = 0.0023923 k( 228) = ( 0.4139756 0.4354308 0.1741980), wk = 0.0023923 k( 229) = ( 0.4085990 0.4448980 0.1850853), wk = 0.0023923 k( 230) = ( 0.4032225 0.4543652 0.1959727), wk = 0.0023923 k( 231) = ( 0.3978460 0.4638324 0.2068601), wk = 0.0023923 k( 232) = ( 0.3924694 0.4732996 0.2177475), wk = 0.0023923 k( 233) = ( 0.3870929 0.4827668 0.2286349), wk = 0.0023923 k( 234) = ( 0.3817164 0.4922340 0.2395222), wk = 0.0023923 k( 235) = ( 0.3763398 0.5017012 0.2504096), wk = 0.0023923 k( 236) = ( 0.3709633 0.5111684 0.2612970), wk = 0.0023923 k( 237) = ( 0.3655868 0.5206356 0.2721843), wk = 0.0023923 k( 238) = ( 0.3602103 0.5301028 0.2830717), wk = 0.0023923 k( 239) = ( 0.3548337 0.5395700 0.2939591), wk = 0.0023923 k( 240) = ( 0.3494572 0.5490372 0.3048465), wk = 0.0023923 k( 241) = ( 0.3440807 0.5585044 0.3157338), wk = 0.0023923 k( 242) = ( 0.3387041 0.5679716 0.3266212), wk = 0.0023923 k( 243) = ( 0.3333276 0.5774388 0.3375086), wk = 0.0023923 k( 244) = ( 0.3279511 0.5869060 0.3483960), wk = 0.0023923 k( 245) = ( 0.3225746 0.5963732 0.3592833), wk = 0.0023923 k( 246) = ( 0.3171980 0.6058404 0.3701707), wk = 0.0023923 k( 247) = ( 0.3118215 0.6153076 0.3810581), wk = 0.0023923 k( 248) = ( 0.3064450 0.6247748 0.3919455), wk = 0.0023923 k( 249) = ( 0.3010684 0.6342420 0.4028328), wk = 0.0023923 k( 250) = ( 0.2956919 0.6437092 0.4137202), wk = 0.0023923 k( 251) = ( 0.2903154 0.6531764 0.4246076), wk = 0.0023923 k( 252) = ( 0.2903154 0.6531764 0.4246076), wk = 0.0023923 k( 253) = ( 0.2757996 0.6496269 0.4286895), wk = 0.0023923 k( 254) = ( 0.2612839 0.6460775 0.4327714), wk = 0.0023923 k( 255) = ( 0.2467681 0.6425280 0.4368533), wk = 0.0023923 k( 256) = ( 0.2322523 0.6389786 0.4409352), wk = 0.0023923 k( 257) = ( 0.2177366 0.6354291 0.4450171), wk = 0.0023923 k( 258) = ( 0.2032208 0.6318797 0.4490990), wk = 0.0023923 k( 259) = ( 0.1887050 0.6283302 0.4531809), wk = 0.0023923 k( 260) = ( 0.1741892 0.6247808 0.4572627), wk = 0.0023923 k( 261) = ( 0.1596735 0.6212313 0.4613446), wk = 0.0023923 k( 262) = ( 0.1451577 0.6176819 0.4654265), wk = 0.0023923 k( 263) = ( 0.1306419 0.6141325 0.4695084), wk = 0.0023923 k( 264) = ( 0.1161262 0.6105830 0.4735903), wk = 0.0023923 k( 265) = ( 0.1016104 0.6070336 0.4776722), wk = 0.0023923 k( 266) = ( 0.0870946 0.6034841 0.4817541), wk = 0.0023923 k( 267) = ( 0.0725789 0.5999347 0.4858360), wk = 0.0023923 k( 268) = ( 0.0580631 0.5963852 0.4899179), wk = 0.0023923 k( 269) = ( 0.0435473 0.5928358 0.4939998), wk = 0.0023923 k( 270) = ( 0.0290315 0.5892863 0.4980817), wk = 0.0023923 k( 271) = ( 0.0145158 0.5857369 0.5021636), wk = 0.0023923 k( 272) = ( 0.0000000 0.5821875 0.5062455), wk = 0.0023923 k( 273) = ( 0.0000000 0.5821875 0.5062455), wk = 0.0023923 k( 274) = ( 0.0054348 0.5726177 0.5172509), wk = 0.0023923 k( 275) = ( 0.0108696 0.5630479 0.5282562), wk = 0.0023923 k( 276) = ( 0.0163043 0.5534781 0.5392615), wk = 0.0023923 k( 277) = ( 0.0217391 0.5439084 0.5502669), wk = 0.0023923 k( 278) = ( 0.0271739 0.5343386 0.5612722), wk = 0.0023923 k( 279) = ( 0.0326087 0.5247688 0.5722776), wk = 0.0023923 k( 280) = ( 0.0380435 0.5151990 0.5832829), wk = 0.0023923 k( 281) = ( 0.0434783 0.5056293 0.5942882), wk = 0.0023923 k( 282) = ( 0.0489130 0.4960595 0.6052936), wk = 0.0023923 k( 283) = ( 0.0543478 0.4864897 0.6162989), wk = 0.0023923 k( 284) = ( 0.0597826 0.4769199 0.6273042), wk = 0.0023923 k( 285) = ( 0.0652174 0.4673502 0.6383096), wk = 0.0023923 k( 286) = ( 0.0706522 0.4577804 0.6493149), wk = 0.0023923 k( 287) = ( 0.0760870 0.4482106 0.6603203), wk = 0.0023923 k( 288) = ( 0.0815217 0.4386408 0.6713256), wk = 0.0023923 k( 289) = ( 0.0869565 0.4290711 0.6823309), wk = 0.0023923 k( 290) = ( 0.0923913 0.4195013 0.6933363), wk = 0.0023923 k( 291) = ( 0.0978261 0.4099315 0.7043416), wk = 0.0023923 k( 292) = ( 0.1032609 0.4003617 0.7153469), wk = 0.0023923 k( 293) = ( 0.1086957 0.3907920 0.7263523), wk = 0.0023923 k( 294) = ( 0.1141304 0.3812222 0.7373576), wk = 0.0023923 k( 295) = ( 0.1195652 0.3716524 0.7483630), wk = 0.0023923 k( 296) = ( 0.1250000 0.3620826 0.7593683), wk = 0.0023923 k( 297) = ( 0.1304348 0.3525129 0.7703736), wk = 0.0023923 k( 298) = ( 0.1358696 0.3429431 0.7813790), wk = 0.0023923 k( 299) = ( 0.1413043 0.3333733 0.7923843), wk = 0.0023923 k( 300) = ( 0.1467391 0.3238035 0.8033896), wk = 0.0023923 k( 301) = ( 0.1521739 0.3142338 0.8143950), wk = 0.0023923 k( 302) = ( 0.1576087 0.3046640 0.8254003), wk = 0.0023923 k( 303) = ( 0.1630435 0.2950942 0.8364057), wk = 0.0023923 k( 304) = ( 0.1684783 0.2855244 0.8474110), wk = 0.0023923 k( 305) = ( 0.1739130 0.2759547 0.8584163), wk = 0.0023923 k( 306) = ( 0.1793478 0.2663849 0.8694217), wk = 0.0023923 k( 307) = ( 0.1847826 0.2568151 0.8804270), wk = 0.0023923 k( 308) = ( 0.1902174 0.2472453 0.8914323), wk = 0.0023923 k( 309) = ( 0.1956522 0.2376756 0.9024377), wk = 0.0023923 k( 310) = ( 0.2010870 0.2281058 0.9134430), wk = 0.0023923 k( 311) = ( 0.2065217 0.2185360 0.9244484), wk = 0.0023923 k( 312) = ( 0.2119565 0.2089662 0.9354537), wk = 0.0023923 k( 313) = ( 0.2173913 0.1993965 0.9464590), wk = 0.0023923 k( 314) = ( 0.2228261 0.1898267 0.9574644), wk = 0.0023923 k( 315) = ( 0.2282609 0.1802569 0.9684697), wk = 0.0023923 k( 316) = ( 0.2336957 0.1706871 0.9794750), wk = 0.0023923 k( 317) = ( 0.2391304 0.1611174 0.9904804), wk = 0.0023923 k( 318) = ( 0.2445652 0.1515476 1.0014857), wk = 0.0023923 k( 319) = ( 0.2500000 0.1419778 1.0124911), wk = 0.0023923 k( 320) = ( 0.2500000 0.1419778 1.0124911), wk = 0.0023923 k( 321) = ( 0.2613636 0.1484313 1.0050694), wk = 0.0023923 k( 322) = ( 0.2727273 0.1548849 0.9976478), wk = 0.0023923 k( 323) = ( 0.2840909 0.1613384 0.9902262), wk = 0.0023923 k( 324) = ( 0.2954545 0.1677920 0.9828045), wk = 0.0023923 k( 325) = ( 0.3068182 0.1742455 0.9753829), wk = 0.0023923 k( 326) = ( 0.3181818 0.1806990 0.9679613), wk = 0.0023923 k( 327) = ( 0.3295455 0.1871526 0.9605396), wk = 0.0023923 k( 328) = ( 0.3409091 0.1936061 0.9531180), wk = 0.0023923 k( 329) = ( 0.3522727 0.2000596 0.9456964), wk = 0.0023923 k( 330) = ( 0.3636364 0.2065132 0.9382747), wk = 0.0023923 k( 331) = ( 0.3750000 0.2129667 0.9308531), wk = 0.0023923 k( 332) = ( 0.3863636 0.2194202 0.9234315), wk = 0.0023923 k( 333) = ( 0.3977273 0.2258738 0.9160098), wk = 0.0023923 k( 334) = ( 0.4090909 0.2323273 0.9085882), wk = 0.0023923 k( 335) = ( 0.4204545 0.2387809 0.9011666), wk = 0.0023923 k( 336) = ( 0.4318182 0.2452344 0.8937449), wk = 0.0023923 k( 337) = ( 0.4431818 0.2516879 0.8863233), wk = 0.0023923 k( 338) = ( 0.4545455 0.2581415 0.8789017), wk = 0.0023923 k( 339) = ( 0.4659091 0.2645950 0.8714800), wk = 0.0023923 k( 340) = ( 0.4772727 0.2710485 0.8640584), wk = 0.0023923 k( 341) = ( 0.4886364 0.2775021 0.8566368), wk = 0.0023923 k( 342) = ( 0.5000000 0.2839556 0.8492151), wk = 0.0023923 k( 343) = ( 0.5000000 0.2839556 0.8492151), wk = 0.0023923 k( 344) = ( 0.5000000 0.2839556 0.8337749), wk = 0.0023923 k( 345) = ( 0.5000000 0.2839556 0.8183346), wk = 0.0023923 k( 346) = ( 0.5000000 0.2839556 0.8028943), wk = 0.0023923 k( 347) = ( 0.5000000 0.2839556 0.7874540), wk = 0.0023923 k( 348) = ( 0.5000000 0.2839556 0.7720138), wk = 0.0023923 k( 349) = ( 0.5000000 0.2839556 0.7565735), wk = 0.0023923 k( 350) = ( 0.5000000 0.2839556 0.7411332), wk = 0.0023923 k( 351) = ( 0.5000000 0.2839556 0.7256929), wk = 0.0023923 k( 352) = ( 0.5000000 0.2839556 0.7102527), wk = 0.0023923 k( 353) = ( 0.5000000 0.2839556 0.6948124), wk = 0.0023923 k( 354) = ( 0.5000000 0.2839556 0.6793721), wk = 0.0023923 k( 355) = ( 0.5000000 0.2839556 0.6639318), wk = 0.0023923 k( 356) = ( 0.5000000 0.2839556 0.6484916), wk = 0.0023923 k( 357) = ( 0.5000000 0.2839556 0.6330513), wk = 0.0023923 k( 358) = ( 0.5000000 0.2839556 0.6176110), wk = 0.0023923 k( 359) = ( 0.5000000 0.2839556 0.6021707), wk = 0.0023923 k( 360) = ( 0.5000000 0.2839556 0.5867305), wk = 0.0023923 k( 361) = ( 0.5000000 0.2839556 0.5712902), wk = 0.0023923 k( 362) = ( 0.5000000 0.2839556 0.5558499), wk = 0.0023923 k( 363) = ( 0.5000000 0.2839556 0.5404096), wk = 0.0023923 k( 364) = ( 0.5000000 0.2839556 0.5249694), wk = 0.0023923 k( 365) = ( 0.5000000 0.2839556 0.5095291), wk = 0.0023923 k( 366) = ( 0.5000000 0.2839556 0.4940888), wk = 0.0023923 k( 367) = ( 0.5000000 0.2839556 0.4786485), wk = 0.0023923 k( 368) = ( 0.5000000 0.2839556 0.4632083), wk = 0.0023923 k( 369) = ( 0.5000000 0.2839556 0.4477680), wk = 0.0023923 k( 370) = ( 0.5000000 0.2839556 0.4323277), wk = 0.0023923 k( 371) = ( 0.5000000 0.2839556 0.4168874), wk = 0.0023923 k( 372) = ( 0.5000000 0.2839556 0.4014472), wk = 0.0023923 k( 373) = ( 0.5000000 0.2839556 0.3860069), wk = 0.0023923 k( 374) = ( 0.5000000 0.2839556 0.3705666), wk = 0.0023923 k( 375) = ( 0.5000000 0.2839556 0.3551263), wk = 0.0023923 k( 376) = ( 0.5000000 0.2839556 0.3396861), wk = 0.0023923 k( 377) = ( 0.5000000 0.2839556 0.3242458), wk = 0.0023923 k( 378) = ( 0.5000000 0.2839556 0.3088055), wk = 0.0023923 k( 379) = ( 0.5000000 0.2839556 0.2933652), wk = 0.0023923 k( 380) = ( 0.5000000 0.2839556 0.2779250), wk = 0.0023923 k( 381) = ( 0.5000000 0.2839556 0.2624847), wk = 0.0023923 k( 382) = ( 0.5000000 0.2839556 0.2470444), wk = 0.0023923 k( 383) = ( 0.5000000 0.2839556 0.2316041), wk = 0.0023923 k( 384) = ( 0.5000000 0.2839556 0.2161639), wk = 0.0023923 k( 385) = ( 0.5000000 0.2839556 0.2007236), wk = 0.0023923 k( 386) = ( 0.5000000 0.2839556 0.1852833), wk = 0.0023923 k( 387) = ( 0.5000000 0.2839556 0.1698430), wk = 0.0023923 k( 388) = ( 0.5000000 0.2839556 0.1544028), wk = 0.0023923 k( 389) = ( 0.5000000 0.2839556 0.1389625), wk = 0.0023923 k( 390) = ( 0.5000000 0.2839556 0.1235222), wk = 0.0023923 k( 391) = ( 0.5000000 0.2839556 0.1080819), wk = 0.0023923 k( 392) = ( 0.5000000 0.2839556 0.0926417), wk = 0.0023923 k( 393) = ( 0.5000000 0.2839556 0.0772014), wk = 0.0023923 k( 394) = ( 0.5000000 0.2839556 0.0617611), wk = 0.0023923 k( 395) = ( 0.5000000 0.2839556 0.0463208), wk = 0.0023923 k( 396) = ( 0.5000000 0.2839556 0.0308806), wk = 0.0023923 k( 397) = ( 0.5000000 0.2839556 0.0154403), wk = 0.0023923 k( 398) = ( 0.5000000 0.2839556 0.0000000), wk = 0.0023923 k( 399) = ( 0.0000000 0.0000000 1.0124911), wk = 0.0023923 k( 400) = ( 0.0131579 0.0074725 1.0124911), wk = 0.0023923 k( 401) = ( 0.0263158 0.0149450 1.0124911), wk = 0.0023923 k( 402) = ( 0.0394737 0.0224175 1.0124911), wk = 0.0023923 k( 403) = ( 0.0526316 0.0298901 1.0124911), wk = 0.0023923 k( 404) = ( 0.0657895 0.0373626 1.0124911), wk = 0.0023923 k( 405) = ( 0.0789474 0.0448351 1.0124911), wk = 0.0023923 k( 406) = ( 0.0921053 0.0523076 1.0124911), wk = 0.0023923 k( 407) = ( 0.1052632 0.0597801 1.0124911), wk = 0.0023923 k( 408) = ( 0.1184210 0.0672526 1.0124911), wk = 0.0023923 k( 409) = ( 0.1315790 0.0747252 1.0124911), wk = 0.0023923 k( 410) = ( 0.1447368 0.0821977 1.0124911), wk = 0.0023923 k( 411) = ( 0.1578947 0.0896702 1.0124911), wk = 0.0023923 k( 412) = ( 0.1710526 0.0971427 1.0124911), wk = 0.0023923 k( 413) = ( 0.1842105 0.1046152 1.0124911), wk = 0.0023923 k( 414) = ( 0.1973684 0.1120877 1.0124911), wk = 0.0023923 k( 415) = ( 0.2105263 0.1195603 1.0124911), wk = 0.0023923 k( 416) = ( 0.2236842 0.1270328 1.0124911), wk = 0.0023923 k( 417) = ( 0.2368421 0.1345053 1.0124911), wk = 0.0023923 k( 418) = ( 0.2500000 0.1419778 1.0124911), wk = 0.0023923 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023923 k( 2) = ( 0.0000000 0.0000000 0.0076923), wk = 0.0023923 k( 3) = ( 0.0000000 0.0000000 0.0153846), wk = 0.0023923 k( 4) = ( 0.0000000 0.0000000 0.0230769), wk = 0.0023923 k( 5) = ( 0.0000000 0.0000000 0.0307692), wk = 0.0023923 k( 6) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0023923 k( 7) = ( 0.0000000 0.0000000 0.0461539), wk = 0.0023923 k( 8) = ( 0.0000000 0.0000000 0.0538462), wk = 0.0023923 k( 9) = ( 0.0000000 0.0000000 0.0615385), wk = 0.0023923 k( 10) = ( 0.0000000 0.0000000 0.0692308), wk = 0.0023923 k( 11) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0023923 k( 12) = ( 0.0000000 0.0000000 0.0846154), wk = 0.0023923 k( 13) = ( 0.0000000 0.0000000 0.0923077), wk = 0.0023923 k( 14) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0023923 k( 15) = ( 0.0000000 0.0000000 0.1076923), wk = 0.0023923 k( 16) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0023923 k( 17) = ( 0.0000000 0.0000000 0.1230769), wk = 0.0023923 k( 18) = ( 0.0000000 0.0000000 0.1307692), wk = 0.0023923 k( 19) = ( 0.0000000 0.0000000 0.1384615), wk = 0.0023923 k( 20) = ( 0.0000000 0.0000000 0.1461539), wk = 0.0023923 k( 21) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0023923 k( 22) = ( 0.0000000 0.0000000 0.1615385), wk = 0.0023923 k( 23) = ( 0.0000000 0.0000000 0.1692308), wk = 0.0023923 k( 24) = ( 0.0000000 0.0000000 0.1769231), wk = 0.0023923 k( 25) = ( 0.0000000 0.0000000 0.1846154), wk = 0.0023923 k( 26) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0023923 k( 27) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0023923 k( 28) = ( 0.0000000 0.0000000 0.2076923), wk = 0.0023923 k( 29) = ( 0.0000000 0.0000000 0.2153846), wk = 0.0023923 k( 30) = ( 0.0000000 0.0000000 0.2230769), wk = 0.0023923 k( 31) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0023923 k( 32) = ( 0.0000000 0.0000000 0.2384615), wk = 0.0023923 k( 33) = ( 0.0000000 0.0000000 0.2461539), wk = 0.0023923 k( 34) = ( 0.0000000 0.0000000 0.2538462), wk = 0.0023923 k( 35) = ( 0.0000000 0.0000000 0.2615385), wk = 0.0023923 k( 36) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0023923 k( 37) = ( 0.0000000 0.0000000 0.2769231), wk = 0.0023923 k( 38) = ( 0.0000000 0.0000000 0.2846154), wk = 0.0023923 k( 39) = ( 0.0000000 0.0000000 0.2923077), wk = 0.0023923 k( 40) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0023923 k( 41) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0023923 k( 42) = ( 0.0000000 0.0000000 0.3153846), wk = 0.0023923 k( 43) = ( 0.0000000 0.0000000 0.3230769), wk = 0.0023923 k( 44) = ( 0.0000000 0.0000000 0.3307692), wk = 0.0023923 k( 45) = ( 0.0000000 0.0000000 0.3384615), wk = 0.0023923 k( 46) = ( 0.0000000 0.0000000 0.3461539), wk = 0.0023923 k( 47) = ( 0.0000000 0.0000000 0.3538462), wk = 0.0023923 k( 48) = ( 0.0000000 0.0000000 0.3615385), wk = 0.0023923 k( 49) = ( 0.0000000 0.0000000 0.3692308), wk = 0.0023923 k( 50) = ( 0.0000000 0.0000000 0.3769231), wk = 0.0023923 k( 51) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0023923 k( 52) = ( 0.0000000 0.0000000 0.3923077), wk = 0.0023923 k( 53) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0023923 k( 54) = ( 0.0000000 0.0000000 0.4076923), wk = 0.0023923 k( 55) = ( 0.0000000 0.0000000 0.4153846), wk = 0.0023923 k( 56) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0023923 k( 57) = ( 0.0000000 0.0000000 0.4307692), wk = 0.0023923 k( 58) = ( 0.0000000 0.0000000 0.4384615), wk = 0.0023923 k( 59) = ( 0.0000000 0.0000000 0.4461539), wk = 0.0023923 k( 60) = ( 0.0000000 0.0000000 0.4538462), wk = 0.0023923 k( 61) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0023923 k( 62) = ( 0.0000000 0.0000000 0.4692308), wk = 0.0023923 k( 63) = ( 0.0000000 0.0000000 0.4769231), wk = 0.0023923 k( 64) = ( 0.0000000 0.0000000 0.4846154), wk = 0.0023923 k( 65) = ( 0.0000000 0.0000000 0.4923077), wk = 0.0023923 k( 66) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023923 k( 67) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023923 k( 68) = ( -0.0073301 0.0073301 0.5000000), wk = 0.0023923 k( 69) = ( -0.0146601 0.0146601 0.5000000), wk = 0.0023923 k( 70) = ( -0.0219902 0.0219902 0.5000000), wk = 0.0023923 k( 71) = ( -0.0293203 0.0293203 0.5000000), wk = 0.0023923 k( 72) = ( -0.0366504 0.0366504 0.5000000), wk = 0.0023923 k( 73) = ( -0.0439804 0.0439804 0.5000000), wk = 0.0023923 k( 74) = ( -0.0513105 0.0513105 0.5000000), wk = 0.0023923 k( 75) = ( -0.0586406 0.0586406 0.5000000), wk = 0.0023923 k( 76) = ( -0.0659707 0.0659707 0.5000000), wk = 0.0023923 k( 77) = ( -0.0733007 0.0733007 0.5000000), wk = 0.0023923 k( 78) = ( -0.0806308 0.0806308 0.5000000), wk = 0.0023923 k( 79) = ( -0.0806308 0.0806308 0.5000000), wk = 0.0023923 k( 80) = ( -0.0860073 0.0860073 0.4946235), wk = 0.0023923 k( 81) = ( -0.0913839 0.0913839 0.4892469), wk = 0.0023923 k( 82) = ( -0.0967604 0.0967604 0.4838704), wk = 0.0023923 k( 83) = ( -0.1021369 0.1021369 0.4784939), wk = 0.0023923 k( 84) = ( -0.1075134 0.1075134 0.4731174), wk = 0.0023923 k( 85) = ( -0.1128900 0.1128900 0.4677408), wk = 0.0023923 k( 86) = ( -0.1182665 0.1182665 0.4623643), wk = 0.0023923 k( 87) = ( -0.1236430 0.1236430 0.4569878), wk = 0.0023923 k( 88) = ( -0.1290195 0.1290195 0.4516112), wk = 0.0023923 k( 89) = ( -0.1343961 0.1343961 0.4462347), wk = 0.0023923 k( 90) = ( -0.1397726 0.1397726 0.4408582), wk = 0.0023923 k( 91) = ( -0.1451491 0.1451491 0.4354817), wk = 0.0023923 k( 92) = ( -0.1505257 0.1505257 0.4301051), wk = 0.0023923 k( 93) = ( -0.1559022 0.1559022 0.4247286), wk = 0.0023923 k( 94) = ( -0.1612787 0.1612787 0.4193521), wk = 0.0023923 k( 95) = ( -0.1666552 0.1666552 0.4139756), wk = 0.0023923 k( 96) = ( -0.1720318 0.1720318 0.4085990), wk = 0.0023923 k( 97) = ( -0.1774083 0.1774083 0.4032225), wk = 0.0023923 k( 98) = ( -0.1827848 0.1827848 0.3978460), wk = 0.0023923 k( 99) = ( -0.1881614 0.1881614 0.3924694), wk = 0.0023923 k( 100) = ( -0.1935379 0.1935379 0.3870929), wk = 0.0023923 k( 101) = ( -0.1989144 0.1989144 0.3817164), wk = 0.0023923 k( 102) = ( -0.2042909 0.2042909 0.3763399), wk = 0.0023923 k( 103) = ( -0.2096675 0.2096675 0.3709633), wk = 0.0023923 k( 104) = ( -0.2150440 0.2150440 0.3655868), wk = 0.0023923 k( 105) = ( -0.2204205 0.2204205 0.3602103), wk = 0.0023923 k( 106) = ( -0.2257970 0.2257970 0.3548337), wk = 0.0023923 k( 107) = ( -0.2311736 0.2311736 0.3494572), wk = 0.0023923 k( 108) = ( -0.2365501 0.2365501 0.3440807), wk = 0.0023923 k( 109) = ( -0.2419266 0.2419266 0.3387042), wk = 0.0023923 k( 110) = ( -0.2473032 0.2473032 0.3333276), wk = 0.0023923 k( 111) = ( -0.2526797 0.2526797 0.3279511), wk = 0.0023923 k( 112) = ( -0.2580562 0.2580562 0.3225746), wk = 0.0023923 k( 113) = ( -0.2634327 0.2634328 0.3171980), wk = 0.0023923 k( 114) = ( -0.2688093 0.2688093 0.3118215), wk = 0.0023923 k( 115) = ( -0.2741858 0.2741858 0.3064450), wk = 0.0023923 k( 116) = ( -0.2795623 0.2795623 0.3010685), wk = 0.0023923 k( 117) = ( -0.2849389 0.2849389 0.2956919), wk = 0.0023923 k( 118) = ( -0.2903154 0.2903154 0.2903154), wk = 0.0023923 k( 119) = ( -0.2903154 0.2903154 0.2903154), wk = 0.0023923 k( 120) = ( -0.2849392 0.2849392 0.2849392), wk = 0.0023923 k( 121) = ( -0.2795630 0.2795630 0.2795630), wk = 0.0023923 k( 122) = ( -0.2741868 0.2741868 0.2741868), wk = 0.0023923 k( 123) = ( -0.2688105 0.2688105 0.2688106), wk = 0.0023923 k( 124) = ( -0.2634343 0.2634343 0.2634343), wk = 0.0023923 k( 125) = ( -0.2580581 0.2580581 0.2580581), wk = 0.0023923 k( 126) = ( -0.2526819 0.2526819 0.2526819), wk = 0.0023923 k( 127) = ( -0.2473057 0.2473057 0.2473057), wk = 0.0023923 k( 128) = ( -0.2419295 0.2419295 0.2419295), wk = 0.0023923 k( 129) = ( -0.2365533 0.2365533 0.2365533), wk = 0.0023923 k( 130) = ( -0.2311771 0.2311771 0.2311771), wk = 0.0023923 k( 131) = ( -0.2258009 0.2258009 0.2258009), wk = 0.0023923 k( 132) = ( -0.2204246 0.2204247 0.2204247), wk = 0.0023923 k( 133) = ( -0.2150484 0.2150484 0.2150484), wk = 0.0023923 k( 134) = ( -0.2096722 0.2096722 0.2096722), wk = 0.0023923 k( 135) = ( -0.2042960 0.2042960 0.2042960), wk = 0.0023923 k( 136) = ( -0.1989198 0.1989198 0.1989198), wk = 0.0023923 k( 137) = ( -0.1935436 0.1935436 0.1935436), wk = 0.0023923 k( 138) = ( -0.1881674 0.1881674 0.1881674), wk = 0.0023923 k( 139) = ( -0.1827912 0.1827912 0.1827912), wk = 0.0023923 k( 140) = ( -0.1774150 0.1774150 0.1774150), wk = 0.0023923 k( 141) = ( -0.1720387 0.1720387 0.1720388), wk = 0.0023923 k( 142) = ( -0.1666625 0.1666625 0.1666625), wk = 0.0023923 k( 143) = ( -0.1612863 0.1612863 0.1612863), wk = 0.0023923 k( 144) = ( -0.1559101 0.1559101 0.1559101), wk = 0.0023923 k( 145) = ( -0.1505339 0.1505339 0.1505339), wk = 0.0023923 k( 146) = ( -0.1451577 0.1451577 0.1451577), wk = 0.0023923 k( 147) = ( -0.1397815 0.1397815 0.1397815), wk = 0.0023923 k( 148) = ( -0.1344053 0.1344053 0.1344053), wk = 0.0023923 k( 149) = ( -0.1290291 0.1290291 0.1290291), wk = 0.0023923 k( 150) = ( -0.1236528 0.1236528 0.1236529), wk = 0.0023923 k( 151) = ( -0.1182766 0.1182766 0.1182766), wk = 0.0023923 k( 152) = ( -0.1129004 0.1129004 0.1129004), wk = 0.0023923 k( 153) = ( -0.1075242 0.1075242 0.1075242), wk = 0.0023923 k( 154) = ( -0.1021480 0.1021480 0.1021480), wk = 0.0023923 k( 155) = ( -0.0967718 0.0967718 0.0967718), wk = 0.0023923 k( 156) = ( -0.0913956 0.0913956 0.0913956), wk = 0.0023923 k( 157) = ( -0.0860194 0.0860194 0.0860194), wk = 0.0023923 k( 158) = ( -0.0806432 0.0806432 0.0806432), wk = 0.0023923 k( 159) = ( -0.0752669 0.0752669 0.0752670), wk = 0.0023923 k( 160) = ( -0.0698907 0.0698907 0.0698907), wk = 0.0023923 k( 161) = ( -0.0645145 0.0645145 0.0645145), wk = 0.0023923 k( 162) = ( -0.0591383 0.0591383 0.0591383), wk = 0.0023923 k( 163) = ( -0.0537621 0.0537621 0.0537621), wk = 0.0023923 k( 164) = ( -0.0483859 0.0483859 0.0483859), wk = 0.0023923 k( 165) = ( -0.0430097 0.0430097 0.0430097), wk = 0.0023923 k( 166) = ( -0.0376335 0.0376335 0.0376335), wk = 0.0023923 k( 167) = ( -0.0322573 0.0322573 0.0322573), wk = 0.0023923 k( 168) = ( -0.0268811 0.0268811 0.0268811), wk = 0.0023923 k( 169) = ( -0.0215048 0.0215048 0.0215048), wk = 0.0023923 k( 170) = ( -0.0161286 0.0161286 0.0161286), wk = 0.0023923 k( 171) = ( -0.0107524 0.0107524 0.0107524), wk = 0.0023923 k( 172) = ( -0.0053762 0.0053762 0.0053762), wk = 0.0023923 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023923 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023923 k( 175) = ( 0.0135135 0.0135135 -0.0135135), wk = 0.0023923 k( 176) = ( 0.0270270 0.0270270 -0.0270270), wk = 0.0023923 k( 177) = ( 0.0405405 0.0405405 -0.0405405), wk = 0.0023923 k( 178) = ( 0.0540540 0.0540541 -0.0540541), wk = 0.0023923 k( 179) = ( 0.0675676 0.0675676 -0.0675676), wk = 0.0023923 k( 180) = ( 0.0810811 0.0810811 -0.0810811), wk = 0.0023923 k( 181) = ( 0.0945946 0.0945946 -0.0945946), wk = 0.0023923 k( 182) = ( 0.1081081 0.1081081 -0.1081081), wk = 0.0023923 k( 183) = ( 0.1216216 0.1216216 -0.1216216), wk = 0.0023923 k( 184) = ( 0.1351351 0.1351351 -0.1351351), wk = 0.0023923 k( 185) = ( 0.1486486 0.1486487 -0.1486487), wk = 0.0023923 k( 186) = ( 0.1621622 0.1621622 -0.1621622), wk = 0.0023923 k( 187) = ( 0.1756757 0.1756757 -0.1756757), wk = 0.0023923 k( 188) = ( 0.1891892 0.1891892 -0.1891892), wk = 0.0023923 k( 189) = ( 0.2027027 0.2027027 -0.2027027), wk = 0.0023923 k( 190) = ( 0.2162162 0.2162162 -0.2162162), wk = 0.0023923 k( 191) = ( 0.2297297 0.2297297 -0.2297297), wk = 0.0023923 k( 192) = ( 0.2432432 0.2432432 -0.2432432), wk = 0.0023923 k( 193) = ( 0.2567568 0.2567568 -0.2567568), wk = 0.0023923 k( 194) = ( 0.2702703 0.2702703 -0.2702703), wk = 0.0023923 k( 195) = ( 0.2837838 0.2837838 -0.2837838), wk = 0.0023923 k( 196) = ( 0.2972973 0.2972973 -0.2972973), wk = 0.0023923 k( 197) = ( 0.3108108 0.3108108 -0.3108108), wk = 0.0023923 k( 198) = ( 0.3243243 0.3243243 -0.3243243), wk = 0.0023923 k( 199) = ( 0.3378378 0.3378378 -0.3378378), wk = 0.0023923 k( 200) = ( 0.3513514 0.3513514 -0.3513514), wk = 0.0023923 k( 201) = ( 0.3648649 0.3648649 -0.3648649), wk = 0.0023923 k( 202) = ( 0.3783784 0.3783784 -0.3783784), wk = 0.0023923 k( 203) = ( 0.3918919 0.3918919 -0.3918919), wk = 0.0023923 k( 204) = ( 0.4054054 0.4054054 -0.4054054), wk = 0.0023923 k( 205) = ( 0.4189189 0.4189189 -0.4189189), wk = 0.0023923 k( 206) = ( 0.4324324 0.4324324 -0.4324324), wk = 0.0023923 k( 207) = ( 0.4459459 0.4459460 -0.4459460), wk = 0.0023923 k( 208) = ( 0.4594595 0.4594595 -0.4594595), wk = 0.0023923 k( 209) = ( 0.4729730 0.4729730 -0.4729730), wk = 0.0023923 k( 210) = ( 0.4864865 0.4864865 -0.4864865), wk = 0.0023923 k( 211) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0023923 k( 212) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0023923 k( 213) = ( 0.4946235 0.5053765 -0.4946235), wk = 0.0023923 k( 214) = ( 0.4892469 0.5107531 -0.4892469), wk = 0.0023923 k( 215) = ( 0.4838704 0.5161296 -0.4838704), wk = 0.0023923 k( 216) = ( 0.4784939 0.5215061 -0.4784939), wk = 0.0023923 k( 217) = ( 0.4731174 0.5268826 -0.4731174), wk = 0.0023923 k( 218) = ( 0.4677408 0.5322592 -0.4677408), wk = 0.0023923 k( 219) = ( 0.4623643 0.5376357 -0.4623643), wk = 0.0023923 k( 220) = ( 0.4569878 0.5430122 -0.4569878), wk = 0.0023923 k( 221) = ( 0.4516112 0.5483888 -0.4516112), wk = 0.0023923 k( 222) = ( 0.4462347 0.5537653 -0.4462347), wk = 0.0023923 k( 223) = ( 0.4408582 0.5591418 -0.4408582), wk = 0.0023923 k( 224) = ( 0.4354817 0.5645183 -0.4354817), wk = 0.0023923 k( 225) = ( 0.4301051 0.5698949 -0.4301051), wk = 0.0023923 k( 226) = ( 0.4247286 0.5752714 -0.4247286), wk = 0.0023923 k( 227) = ( 0.4193521 0.5806479 -0.4193521), wk = 0.0023923 k( 228) = ( 0.4139756 0.5860245 -0.4139756), wk = 0.0023923 k( 229) = ( 0.4085990 0.5914010 -0.4085990), wk = 0.0023923 k( 230) = ( 0.4032225 0.5967775 -0.4032225), wk = 0.0023923 k( 231) = ( 0.3978460 0.6021540 -0.3978460), wk = 0.0023923 k( 232) = ( 0.3924694 0.6075306 -0.3924694), wk = 0.0023923 k( 233) = ( 0.3870929 0.6129071 -0.3870929), wk = 0.0023923 k( 234) = ( 0.3817164 0.6182836 -0.3817164), wk = 0.0023923 k( 235) = ( 0.3763398 0.6236601 -0.3763398), wk = 0.0023923 k( 236) = ( 0.3709633 0.6290367 -0.3709633), wk = 0.0023923 k( 237) = ( 0.3655868 0.6344132 -0.3655868), wk = 0.0023923 k( 238) = ( 0.3602103 0.6397897 -0.3602103), wk = 0.0023923 k( 239) = ( 0.3548337 0.6451663 -0.3548337), wk = 0.0023923 k( 240) = ( 0.3494572 0.6505428 -0.3494572), wk = 0.0023923 k( 241) = ( 0.3440807 0.6559193 -0.3440807), wk = 0.0023923 k( 242) = ( 0.3387041 0.6612959 -0.3387042), wk = 0.0023923 k( 243) = ( 0.3333276 0.6666724 -0.3333276), wk = 0.0023923 k( 244) = ( 0.3279511 0.6720489 -0.3279511), wk = 0.0023923 k( 245) = ( 0.3225746 0.6774254 -0.3225746), wk = 0.0023923 k( 246) = ( 0.3171980 0.6828020 -0.3171980), wk = 0.0023923 k( 247) = ( 0.3118215 0.6881785 -0.3118215), wk = 0.0023923 k( 248) = ( 0.3064450 0.6935550 -0.3064450), wk = 0.0023923 k( 249) = ( 0.3010684 0.6989315 -0.3010685), wk = 0.0023923 k( 250) = ( 0.2956919 0.7043081 -0.2956919), wk = 0.0023923 k( 251) = ( 0.2903154 0.7096846 -0.2903154), wk = 0.0023923 k( 252) = ( 0.2903154 0.7096846 -0.2903154), wk = 0.0023923 k( 253) = ( 0.2757996 0.6992004 -0.2757996), wk = 0.0023923 k( 254) = ( 0.2612839 0.6887161 -0.2612839), wk = 0.0023923 k( 255) = ( 0.2467681 0.6782319 -0.2467681), wk = 0.0023923 k( 256) = ( 0.2322523 0.6677477 -0.2322523), wk = 0.0023923 k( 257) = ( 0.2177366 0.6572635 -0.2177366), wk = 0.0023923 k( 258) = ( 0.2032208 0.6467792 -0.2032208), wk = 0.0023923 k( 259) = ( 0.1887050 0.6362950 -0.1887050), wk = 0.0023923 k( 260) = ( 0.1741892 0.6258108 -0.1741892), wk = 0.0023923 k( 261) = ( 0.1596735 0.6153265 -0.1596735), wk = 0.0023923 k( 262) = ( 0.1451577 0.6048423 -0.1451577), wk = 0.0023923 k( 263) = ( 0.1306419 0.5943581 -0.1306419), wk = 0.0023923 k( 264) = ( 0.1161262 0.5838738 -0.1161262), wk = 0.0023923 k( 265) = ( 0.1016104 0.5733896 -0.1016104), wk = 0.0023923 k( 266) = ( 0.0870946 0.5629054 -0.0870946), wk = 0.0023923 k( 267) = ( 0.0725789 0.5524212 -0.0725789), wk = 0.0023923 k( 268) = ( 0.0580631 0.5419369 -0.0580631), wk = 0.0023923 k( 269) = ( 0.0435473 0.5314527 -0.0435473), wk = 0.0023923 k( 270) = ( 0.0290315 0.5209685 -0.0290315), wk = 0.0023923 k( 271) = ( 0.0145158 0.5104842 -0.0145158), wk = 0.0023923 k( 272) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023923 k( 273) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023923 k( 274) = ( 0.0054348 0.4945652 0.0054348), wk = 0.0023923 k( 275) = ( 0.0108696 0.4891304 0.0108696), wk = 0.0023923 k( 276) = ( 0.0163043 0.4836957 0.0163044), wk = 0.0023923 k( 277) = ( 0.0217391 0.4782609 0.0217391), wk = 0.0023923 k( 278) = ( 0.0271739 0.4728261 0.0271739), wk = 0.0023923 k( 279) = ( 0.0326087 0.4673913 0.0326087), wk = 0.0023923 k( 280) = ( 0.0380435 0.4619565 0.0380435), wk = 0.0023923 k( 281) = ( 0.0434783 0.4565217 0.0434783), wk = 0.0023923 k( 282) = ( 0.0489130 0.4510870 0.0489130), wk = 0.0023923 k( 283) = ( 0.0543478 0.4456522 0.0543478), wk = 0.0023923 k( 284) = ( 0.0597826 0.4402174 0.0597826), wk = 0.0023923 k( 285) = ( 0.0652174 0.4347826 0.0652174), wk = 0.0023923 k( 286) = ( 0.0706522 0.4293478 0.0706522), wk = 0.0023923 k( 287) = ( 0.0760870 0.4239130 0.0760870), wk = 0.0023923 k( 288) = ( 0.0815217 0.4184783 0.0815217), wk = 0.0023923 k( 289) = ( 0.0869565 0.4130435 0.0869565), wk = 0.0023923 k( 290) = ( 0.0923913 0.4076087 0.0923913), wk = 0.0023923 k( 291) = ( 0.0978261 0.4021739 0.0978261), wk = 0.0023923 k( 292) = ( 0.1032609 0.3967391 0.1032609), wk = 0.0023923 k( 293) = ( 0.1086957 0.3913044 0.1086957), wk = 0.0023923 k( 294) = ( 0.1141304 0.3858696 0.1141304), wk = 0.0023923 k( 295) = ( 0.1195652 0.3804348 0.1195652), wk = 0.0023923 k( 296) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0023923 k( 297) = ( 0.1304348 0.3695652 0.1304348), wk = 0.0023923 k( 298) = ( 0.1358696 0.3641304 0.1358696), wk = 0.0023923 k( 299) = ( 0.1413043 0.3586956 0.1413043), wk = 0.0023923 k( 300) = ( 0.1467391 0.3532609 0.1467391), wk = 0.0023923 k( 301) = ( 0.1521739 0.3478261 0.1521739), wk = 0.0023923 k( 302) = ( 0.1576087 0.3423913 0.1576087), wk = 0.0023923 k( 303) = ( 0.1630435 0.3369565 0.1630435), wk = 0.0023923 k( 304) = ( 0.1684783 0.3315217 0.1684783), wk = 0.0023923 k( 305) = ( 0.1739130 0.3260870 0.1739130), wk = 0.0023923 k( 306) = ( 0.1793478 0.3206522 0.1793478), wk = 0.0023923 k( 307) = ( 0.1847826 0.3152174 0.1847826), wk = 0.0023923 k( 308) = ( 0.1902174 0.3097826 0.1902174), wk = 0.0023923 k( 309) = ( 0.1956522 0.3043478 0.1956522), wk = 0.0023923 k( 310) = ( 0.2010870 0.2989130 0.2010870), wk = 0.0023923 k( 311) = ( 0.2065217 0.2934783 0.2065217), wk = 0.0023923 k( 312) = ( 0.2119565 0.2880435 0.2119565), wk = 0.0023923 k( 313) = ( 0.2173913 0.2826087 0.2173913), wk = 0.0023923 k( 314) = ( 0.2228261 0.2771739 0.2228261), wk = 0.0023923 k( 315) = ( 0.2282609 0.2717391 0.2282609), wk = 0.0023923 k( 316) = ( 0.2336957 0.2663044 0.2336957), wk = 0.0023923 k( 317) = ( 0.2391304 0.2608696 0.2391304), wk = 0.0023923 k( 318) = ( 0.2445652 0.2554348 0.2445652), wk = 0.0023923 k( 319) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023923 k( 320) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023923 k( 321) = ( 0.2613636 0.2613636 0.2349713), wk = 0.0023923 k( 322) = ( 0.2727273 0.2727273 0.2199427), wk = 0.0023923 k( 323) = ( 0.2840909 0.2840909 0.2049140), wk = 0.0023923 k( 324) = ( 0.2954545 0.2954546 0.1898853), wk = 0.0023923 k( 325) = ( 0.3068182 0.3068182 0.1748566), wk = 0.0023923 k( 326) = ( 0.3181818 0.3181818 0.1598280), wk = 0.0023923 k( 327) = ( 0.3295455 0.3295455 0.1447993), wk = 0.0023923 k( 328) = ( 0.3409091 0.3409091 0.1297706), wk = 0.0023923 k( 329) = ( 0.3522727 0.3522727 0.1147420), wk = 0.0023923 k( 330) = ( 0.3636364 0.3636364 0.0997133), wk = 0.0023923 k( 331) = ( 0.3750000 0.3750000 0.0846846), wk = 0.0023923 k( 332) = ( 0.3863636 0.3863636 0.0696559), wk = 0.0023923 k( 333) = ( 0.3977273 0.3977273 0.0546273), wk = 0.0023923 k( 334) = ( 0.4090909 0.4090909 0.0395986), wk = 0.0023923 k( 335) = ( 0.4204545 0.4204546 0.0245699), wk = 0.0023923 k( 336) = ( 0.4318182 0.4318182 0.0095412), wk = 0.0023923 k( 337) = ( 0.4431818 0.4431818 -0.0054874), wk = 0.0023923 k( 338) = ( 0.4545455 0.4545455 -0.0205161), wk = 0.0023923 k( 339) = ( 0.4659091 0.4659091 -0.0355448), wk = 0.0023923 k( 340) = ( 0.4772727 0.4772727 -0.0505735), wk = 0.0023923 k( 341) = ( 0.4886364 0.4886364 -0.0656021), wk = 0.0023923 k( 342) = ( 0.5000000 0.5000000 -0.0806308), wk = 0.0023923 k( 343) = ( 0.5000000 0.5000000 -0.0806308), wk = 0.0023923 k( 344) = ( 0.5000000 0.5000000 -0.0882557), wk = 0.0023923 k( 345) = ( 0.5000000 0.5000000 -0.0958806), wk = 0.0023923 k( 346) = ( 0.5000000 0.5000000 -0.1035055), wk = 0.0023923 k( 347) = ( 0.5000000 0.5000000 -0.1111304), wk = 0.0023923 k( 348) = ( 0.5000000 0.5000000 -0.1187553), wk = 0.0023923 k( 349) = ( 0.5000000 0.5000000 -0.1263802), wk = 0.0023923 k( 350) = ( 0.5000000 0.5000000 -0.1340051), wk = 0.0023923 k( 351) = ( 0.5000000 0.5000000 -0.1416300), wk = 0.0023923 k( 352) = ( 0.5000000 0.5000000 -0.1492548), wk = 0.0023923 k( 353) = ( 0.5000000 0.5000000 -0.1568797), wk = 0.0023923 k( 354) = ( 0.5000000 0.5000000 -0.1645046), wk = 0.0023923 k( 355) = ( 0.5000000 0.5000000 -0.1721295), wk = 0.0023923 k( 356) = ( 0.5000000 0.5000000 -0.1797544), wk = 0.0023923 k( 357) = ( 0.5000000 0.5000000 -0.1873793), wk = 0.0023923 k( 358) = ( 0.5000000 0.5000000 -0.1950042), wk = 0.0023923 k( 359) = ( 0.5000000 0.5000000 -0.2026291), wk = 0.0023923 k( 360) = ( 0.5000000 0.5000000 -0.2102540), wk = 0.0023923 k( 361) = ( 0.5000000 0.5000000 -0.2178789), wk = 0.0023923 k( 362) = ( 0.5000000 0.5000000 -0.2255038), wk = 0.0023923 k( 363) = ( 0.5000000 0.5000000 -0.2331287), wk = 0.0023923 k( 364) = ( 0.5000000 0.5000000 -0.2407536), wk = 0.0023923 k( 365) = ( 0.5000000 0.5000000 -0.2483785), wk = 0.0023923 k( 366) = ( 0.5000000 0.5000000 -0.2560034), wk = 0.0023923 k( 367) = ( 0.5000000 0.5000000 -0.2636283), wk = 0.0023923 k( 368) = ( 0.5000000 0.5000000 -0.2712532), wk = 0.0023923 k( 369) = ( 0.5000000 0.5000000 -0.2788781), wk = 0.0023923 k( 370) = ( 0.5000000 0.5000000 -0.2865030), wk = 0.0023923 k( 371) = ( 0.5000000 0.5000000 -0.2941278), wk = 0.0023923 k( 372) = ( 0.5000000 0.5000000 -0.3017527), wk = 0.0023923 k( 373) = ( 0.5000000 0.5000000 -0.3093776), wk = 0.0023923 k( 374) = ( 0.5000000 0.5000000 -0.3170025), wk = 0.0023923 k( 375) = ( 0.5000000 0.5000000 -0.3246274), wk = 0.0023923 k( 376) = ( 0.5000000 0.5000000 -0.3322523), wk = 0.0023923 k( 377) = ( 0.5000000 0.5000000 -0.3398772), wk = 0.0023923 k( 378) = ( 0.5000000 0.5000000 -0.3475021), wk = 0.0023923 k( 379) = ( 0.5000000 0.5000000 -0.3551270), wk = 0.0023923 k( 380) = ( 0.5000000 0.5000000 -0.3627519), wk = 0.0023923 k( 381) = ( 0.5000000 0.5000000 -0.3703768), wk = 0.0023923 k( 382) = ( 0.5000000 0.5000000 -0.3780017), wk = 0.0023923 k( 383) = ( 0.5000000 0.5000000 -0.3856266), wk = 0.0023923 k( 384) = ( 0.5000000 0.5000000 -0.3932515), wk = 0.0023923 k( 385) = ( 0.5000000 0.5000000 -0.4008764), wk = 0.0023923 k( 386) = ( 0.5000000 0.5000000 -0.4085013), wk = 0.0023923 k( 387) = ( 0.5000000 0.5000000 -0.4161262), wk = 0.0023923 k( 388) = ( 0.5000000 0.5000000 -0.4237511), wk = 0.0023923 k( 389) = ( 0.5000000 0.5000000 -0.4313760), wk = 0.0023923 k( 390) = ( 0.5000000 0.5000000 -0.4390008), wk = 0.0023923 k( 391) = ( 0.5000000 0.5000000 -0.4466257), wk = 0.0023923 k( 392) = ( 0.5000000 0.5000000 -0.4542506), wk = 0.0023923 k( 393) = ( 0.5000000 0.5000000 -0.4618755), wk = 0.0023923 k( 394) = ( 0.5000000 0.5000000 -0.4695004), wk = 0.0023923 k( 395) = ( 0.5000000 0.5000000 -0.4771253), wk = 0.0023923 k( 396) = ( 0.5000000 0.5000000 -0.4847502), wk = 0.0023923 k( 397) = ( 0.5000000 0.5000000 -0.4923751), wk = 0.0023923 k( 398) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0023923 k( 399) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023923 k( 400) = ( 0.0131579 0.0131579 0.4868421), wk = 0.0023923 k( 401) = ( 0.0263158 0.0263158 0.4736842), wk = 0.0023923 k( 402) = ( 0.0394737 0.0394737 0.4605263), wk = 0.0023923 k( 403) = ( 0.0526316 0.0526316 0.4473684), wk = 0.0023923 k( 404) = ( 0.0657895 0.0657895 0.4342105), wk = 0.0023923 k( 405) = ( 0.0789474 0.0789474 0.4210526), wk = 0.0023923 k( 406) = ( 0.0921053 0.0921053 0.4078947), wk = 0.0023923 k( 407) = ( 0.1052632 0.1052632 0.3947368), wk = 0.0023923 k( 408) = ( 0.1184210 0.1184211 0.3815790), wk = 0.0023923 k( 409) = ( 0.1315790 0.1315790 0.3684211), wk = 0.0023923 k( 410) = ( 0.1447368 0.1447368 0.3552632), wk = 0.0023923 k( 411) = ( 0.1578947 0.1578947 0.3421053), wk = 0.0023923 k( 412) = ( 0.1710526 0.1710526 0.3289474), wk = 0.0023923 k( 413) = ( 0.1842105 0.1842105 0.3157895), wk = 0.0023923 k( 414) = ( 0.1973684 0.1973684 0.3026316), wk = 0.0023923 k( 415) = ( 0.2105263 0.2105263 0.2894737), wk = 0.0023923 k( 416) = ( 0.2236842 0.2236842 0.2763158), wk = 0.0023923 k( 417) = ( 0.2368421 0.2368421 0.2631579), wk = 0.0023923 k( 418) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0023923 Dense grid: 49541 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 32445 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 238, 42) NL pseudopotentials 0.19 Mb ( 119, 102) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.01 Mb ( 1376) G-vector shells 0.01 Mb ( 657) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.61 Mb ( 238, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.13 Mb ( 102, 2, 42) The potential is recalculated from file : ./TiAu2.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.7 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.4 secs Computing kpt #: 5 total cpu time spent up to now is 5.0 secs Computing kpt #: 6 total cpu time spent up to now is 5.6 secs Computing kpt #: 7 total cpu time spent up to now is 6.1 secs Computing kpt #: 8 total cpu time spent up to now is 6.7 secs Computing kpt #: 9 total cpu time spent up to now is 7.3 secs Computing kpt #: 10 total cpu time spent up to now is 7.8 secs Computing kpt #: 11 total cpu time spent up to now is 8.4 secs Computing kpt #: 12 total cpu time spent up to now is 9.0 secs Computing kpt #: 13 total cpu time spent up to now is 9.6 secs Computing kpt #: 14 total cpu time spent up to now is 10.2 secs Computing kpt #: 15 total cpu time spent up to now is 10.9 secs Computing kpt #: 16 total cpu time spent up to now is 11.6 secs Computing kpt #: 17 total cpu time spent up to now is 12.3 secs Computing kpt #: 18 total cpu time spent up to now is 12.9 secs Computing kpt #: 19 total cpu time spent up to now is 13.6 secs Computing kpt #: 20 total cpu time spent up to now is 14.3 secs Computing kpt #: 21 total cpu time spent up to now is 15.0 secs Computing kpt #: 22 total cpu time spent up to now is 15.7 secs Computing kpt #: 23 total cpu time spent up to now is 16.4 secs Computing kpt #: 24 total cpu time spent up to now is 17.2 secs Computing kpt #: 25 total cpu time spent up to now is 17.9 secs Computing kpt #: 26 total cpu time spent up to now is 18.7 secs Computing kpt #: 27 total cpu time spent up to now is 20.0 secs Computing kpt #: 28 total cpu time spent up to now is 20.9 secs Computing kpt #: 29 total cpu time spent up to now is 21.7 secs Computing kpt #: 30 total cpu time spent up to now is 22.4 secs Computing kpt #: 31 total cpu time spent up to now is 23.2 secs Computing kpt #: 32 total cpu time spent up to now is 23.9 secs Computing kpt #: 33 total cpu time spent up to now is 24.6 secs Computing kpt #: 34 total cpu time spent up to now is 25.2 secs Computing kpt #: 35 total cpu time spent up to now is 25.9 secs Computing kpt #: 36 total cpu time spent up to now is 26.5 secs Computing kpt #: 37 total cpu time spent up to now is 27.1 secs Computing kpt #: 38 total cpu time spent up to now is 27.7 secs Computing kpt #: 39 total cpu time spent up to now is 28.4 secs Computing kpt #: 40 total cpu time spent up to now is 29.1 secs Computing kpt #: 41 total cpu time spent up to now is 29.7 secs Computing kpt #: 42 total cpu time spent up to now is 30.4 secs Computing kpt #: 43 total cpu time spent up to now is 31.1 secs Computing kpt #: 44 total cpu time spent up to now is 31.8 secs Computing kpt #: 45 total cpu time spent up to now is 32.5 secs Computing kpt #: 46 total cpu time spent up to now is 33.2 secs Computing kpt #: 47 total cpu time spent up to now is 33.9 secs Computing kpt #: 48 total cpu time spent up to now is 34.6 secs Computing kpt #: 49 total cpu time spent up to now is 35.3 secs Computing kpt #: 50 total cpu time spent up to now is 36.0 secs Computing kpt #: 51 total cpu time spent up to now is 37.7 secs Computing kpt #: 52 total cpu time spent up to now is 38.4 secs Computing kpt #: 53 total cpu time spent up to now is 39.0 secs Computing kpt #: 54 total cpu time spent up to now is 39.7 secs Computing kpt #: 55 total cpu time spent up to now is 40.3 secs Computing kpt #: 56 total cpu time spent up to now is 41.0 secs Computing kpt #: 57 total cpu time spent up to now is 41.7 secs Computing kpt #: 58 total cpu time spent up to now is 42.4 secs Computing kpt #: 59 total cpu time spent up to now is 43.1 secs Computing kpt #: 60 total cpu time spent up to now is 43.9 secs Computing kpt #: 61 total cpu time spent up to now is 44.6 secs Computing kpt #: 62 total cpu time spent up to now is 45.3 secs Computing kpt #: 63 total cpu time spent up to now is 46.0 secs Computing kpt #: 64 total cpu time spent up to now is 46.7 secs Computing kpt #: 65 total cpu time spent up to now is 47.5 secs Computing kpt #: 66 total cpu time spent up to now is 48.3 secs Computing kpt #: 67 total cpu time spent up to now is 49.1 secs Computing kpt #: 68 total cpu time spent up to now is 49.8 secs Computing kpt #: 69 total cpu time spent up to now is 50.5 secs Computing kpt #: 70 total cpu time spent up to now is 51.2 secs Computing kpt #: 71 total cpu time spent up to now is 52.0 secs Computing kpt #: 72 total cpu time spent up to now is 52.7 secs Computing kpt #: 73 total cpu time spent up to now is 53.4 secs Computing kpt #: 74 total cpu time spent up to now is 54.1 secs Computing kpt #: 75 total cpu time spent up to now is 54.8 secs Computing kpt #: 76 total cpu time spent up to now is 55.6 secs Computing kpt #: 77 total cpu time spent up to now is 56.3 secs Computing kpt #: 78 total cpu time spent up to now is 57.1 secs Computing kpt #: 79 total cpu time spent up to now is 57.8 secs Computing kpt #: 80 total cpu time spent up to now is 58.5 secs Computing kpt #: 81 total cpu time spent up to now is 59.3 secs Computing kpt #: 82 total cpu time spent up to now is 60.0 secs Computing kpt #: 83 total cpu time spent up to now is 60.8 secs Computing kpt #: 84 total cpu time spent up to now is 61.6 secs Computing kpt #: 85 total cpu time spent up to now is 62.3 secs Computing kpt #: 86 total cpu time spent up to now is 63.1 secs Computing kpt #: 87 total cpu time spent up to now is 63.9 secs Computing kpt #: 88 total cpu time spent up to now is 64.7 secs Computing kpt #: 89 total cpu time spent up to now is 65.6 secs Computing kpt #: 90 total cpu time spent up to now is 66.6 secs Computing kpt #: 91 total cpu time spent up to now is 67.5 secs Computing kpt #: 92 total cpu time spent up to now is 68.4 secs Computing kpt #: 93 total cpu time spent up to now is 69.3 secs Computing kpt #: 94 total cpu time spent up to now is 70.2 secs Computing kpt #: 95 total cpu time spent up to now is 71.1 secs Computing kpt #: 96 total cpu time spent up to now is 72.0 secs Computing kpt #: 97 total cpu time spent up to now is 72.9 secs Computing kpt #: 98 total cpu time spent up to now is 73.8 secs Computing kpt #: 99 total cpu time spent up to now is 74.7 secs Computing kpt #: 100 total cpu time spent up to now is 75.7 secs Computing kpt #: 101 total cpu time spent up to now is 76.6 secs Computing kpt #: 102 total cpu time spent up to now is 77.5 secs Computing kpt #: 103 total cpu time spent up to now is 78.4 secs Computing kpt #: 104 total cpu time spent up to now is 79.3 secs Computing kpt #: 105 total cpu time spent up to now is 80.1 secs Computing kpt #: 106 total cpu time spent up to now is 81.0 secs Computing kpt #: 107 total cpu time spent up to now is 81.8 secs Computing kpt #: 108 total cpu time spent up to now is 82.6 secs Computing kpt #: 109 total cpu time spent up to now is 83.4 secs Computing kpt #: 110 total cpu time spent up to now is 84.2 secs Computing kpt #: 111 total cpu time spent up to now is 84.9 secs Computing kpt #: 112 total cpu time spent up to now is 85.7 secs Computing kpt #: 113 total cpu time spent up to now is 86.5 secs Computing kpt #: 114 total cpu time spent up to now is 87.3 secs Computing kpt #: 115 total cpu time spent up to now is 88.0 secs Computing kpt #: 116 total cpu time spent up to now is 88.8 secs Computing kpt #: 117 total cpu time spent up to now is 89.5 secs Computing kpt #: 118 total cpu time spent up to now is 90.3 secs Computing kpt #: 119 total cpu time spent up to now is 91.1 secs Computing kpt #: 120 total cpu time spent up to now is 91.9 secs Computing kpt #: 121 total cpu time spent up to now is 92.7 secs Computing kpt #: 122 total cpu time spent up to now is 93.4 secs Computing kpt #: 123 total cpu time spent up to now is 94.2 secs Computing kpt #: 124 total cpu time spent up to now is 95.0 secs Computing kpt #: 125 total cpu time spent up to now is 95.7 secs Computing kpt #: 126 total cpu time spent up to now is 96.5 secs Computing kpt #: 127 total cpu time spent up to now is 97.2 secs Computing kpt #: 128 total cpu time spent up to now is 97.9 secs Computing kpt #: 129 total cpu time spent up to now is 98.7 secs Computing kpt #: 130 total cpu time spent up to now is 99.4 secs Computing kpt #: 131 total cpu time spent up to now is 100.2 secs Computing kpt #: 132 total cpu time spent up to now is 101.0 secs Computing kpt #: 133 total cpu time spent up to now is 101.7 secs Computing kpt #: 134 total cpu time spent up to now is 102.5 secs Computing kpt #: 135 total cpu time spent up to now is 103.2 secs Computing kpt #: 136 total cpu time spent up to now is 104.0 secs Computing kpt #: 137 total cpu time spent up to now is 104.7 secs Computing kpt #: 138 total cpu time spent up to now is 105.4 secs Computing kpt #: 139 total cpu time spent up to now is 106.2 secs Computing kpt #: 140 total cpu time spent up to now is 106.9 secs Computing kpt #: 141 total cpu time spent up to now is 107.6 secs Computing kpt #: 142 total cpu time spent up to now is 108.3 secs Computing kpt #: 143 total cpu time spent up to now is 109.0 secs Computing kpt #: 144 total cpu time spent up to now is 109.7 secs Computing kpt #: 145 total cpu time spent up to now is 110.4 secs Computing kpt #: 146 total cpu time spent up to now is 111.2 secs Computing kpt #: 147 total cpu time spent up to now is 111.9 secs Computing kpt #: 148 total cpu time spent up to now is 112.7 secs Computing kpt #: 149 total cpu time spent up to now is 113.4 secs Computing kpt #: 150 total cpu time spent up to now is 114.2 secs Computing kpt #: 151 total cpu time spent up to now is 114.9 secs Computing kpt #: 152 total cpu time spent up to now is 115.6 secs Computing kpt #: 153 total cpu time spent up to now is 116.3 secs Computing kpt #: 154 total cpu time spent up to now is 117.0 secs Computing kpt #: 155 total cpu time spent up to now is 117.7 secs Computing kpt #: 156 total cpu time spent up to now is 118.4 secs Computing kpt #: 157 total cpu time spent up to now is 119.0 secs Computing kpt #: 158 total cpu time spent up to now is 119.6 secs Computing kpt #: 159 total cpu time spent up to now is 120.2 secs Computing kpt #: 160 total cpu time spent up to now is 120.8 secs Computing kpt #: 161 total cpu time spent up to now is 121.4 secs Computing kpt #: 162 total cpu time spent up to now is 121.9 secs Computing kpt #: 163 total cpu time spent up to now is 122.5 secs Computing kpt #: 164 total cpu time spent up to now is 123.1 secs Computing kpt #: 165 total cpu time spent up to now is 123.6 secs Computing kpt #: 166 total cpu time spent up to now is 124.2 secs Computing kpt #: 167 total cpu time spent up to now is 124.8 secs Computing kpt #: 168 total cpu time spent up to now is 125.3 secs Computing kpt #: 169 total cpu time spent up to now is 125.9 secs Computing kpt #: 170 total cpu time spent up to now is 126.5 secs Computing kpt #: 171 total cpu time spent up to now is 127.0 secs Computing kpt #: 172 total cpu time spent up to now is 127.6 secs Computing kpt #: 173 total cpu time spent up to now is 128.2 secs Computing kpt #: 174 total cpu time spent up to now is 128.7 secs Computing kpt #: 175 total cpu time spent up to now is 129.3 secs Computing kpt #: 176 total cpu time spent up to now is 129.8 secs Computing kpt #: 177 total cpu time spent up to now is 130.4 secs Computing kpt #: 178 total cpu time spent up to now is 131.0 secs Computing kpt #: 179 total cpu time spent up to now is 131.6 secs Computing kpt #: 180 total cpu time spent up to now is 132.1 secs Computing kpt #: 181 total cpu time spent up to now is 132.7 secs Computing kpt #: 182 total cpu time spent up to now is 133.3 secs Computing kpt #: 183 total cpu time spent up to now is 133.9 secs Computing kpt #: 184 total cpu time spent up to now is 134.5 secs Computing kpt #: 185 total cpu time spent up to now is 135.0 secs Computing kpt #: 186 total cpu time spent up to now is 135.6 secs Computing kpt #: 187 total cpu time spent up to now is 136.2 secs Computing kpt #: 188 total cpu time spent up to now is 136.7 secs Computing kpt #: 189 total cpu time spent up to now is 137.3 secs Computing kpt #: 190 total cpu time spent up to now is 137.9 secs Computing kpt #: 191 total cpu time spent up to now is 138.4 secs Computing kpt #: 192 total cpu time spent up to now is 139.0 secs Computing kpt #: 193 total cpu time spent up to now is 139.6 secs Computing kpt #: 194 total cpu time spent up to now is 140.1 secs Computing kpt #: 195 total cpu time spent up to now is 140.7 secs Computing kpt #: 196 total cpu time spent up to now is 141.3 secs Computing kpt #: 197 total cpu time spent up to now is 141.8 secs Computing kpt #: 198 total cpu time spent up to now is 142.4 secs Computing kpt #: 199 total cpu time spent up to now is 143.0 secs Computing kpt #: 200 total cpu time spent up to now is 143.5 secs Computing kpt #: 201 total cpu time spent up to now is 144.1 secs Computing kpt #: 202 total cpu time spent up to now is 144.6 secs Computing kpt #: 203 total cpu time spent up to now is 145.2 secs Computing kpt #: 204 total cpu time spent up to now is 145.8 secs Computing kpt #: 205 total cpu time spent up to now is 146.3 secs Computing kpt #: 206 total cpu time spent up to now is 146.9 secs Computing kpt #: 207 total cpu time spent up to now is 147.5 secs Computing kpt #: 208 total cpu time spent up to now is 148.3 secs Computing kpt #: 209 total cpu time spent up to now is 148.8 secs Computing kpt #: 210 total cpu time spent up to now is 149.4 secs Computing kpt #: 211 total cpu time spent up to now is 149.9 secs Computing kpt #: 212 total cpu time spent up to now is 150.5 secs Computing kpt #: 213 total cpu time spent up to now is 151.0 secs Computing kpt #: 214 total cpu time spent up to now is 151.6 secs Computing kpt #: 215 total cpu time spent up to now is 152.2 secs Computing kpt #: 216 total cpu time spent up to now is 152.8 secs Computing kpt #: 217 total cpu time spent up to now is 153.3 secs Computing kpt #: 218 total cpu time spent up to now is 153.9 secs Computing kpt #: 219 total cpu time spent up to now is 154.6 secs Computing kpt #: 220 total cpu time spent up to now is 155.2 secs Computing kpt #: 221 total cpu time spent up to now is 155.8 secs Computing kpt #: 222 total cpu time spent up to now is 156.5 secs Computing kpt #: 223 total cpu time spent up to now is 157.3 secs Computing kpt #: 224 total cpu time spent up to now is 158.0 secs Computing kpt #: 225 total cpu time spent up to now is 158.7 secs Computing kpt #: 226 total cpu time spent up to now is 159.4 secs Computing kpt #: 227 total cpu time spent up to now is 160.1 secs Computing kpt #: 228 total cpu time spent up to now is 160.9 secs Computing kpt #: 229 total cpu time spent up to now is 161.6 secs Computing kpt #: 230 total cpu time spent up to now is 162.3 secs Computing kpt #: 231 total cpu time spent up to now is 163.0 secs Computing kpt #: 232 total cpu time spent up to now is 163.8 secs Computing kpt #: 233 total cpu time spent up to now is 164.5 secs Computing kpt #: 234 total cpu time spent up to now is 165.3 secs Computing kpt #: 235 total cpu time spent up to now is 166.0 secs Computing kpt #: 236 total cpu time spent up to now is 166.8 secs Computing kpt #: 237 total cpu time spent up to now is 167.6 secs Computing kpt #: 238 total cpu time spent up to now is 168.3 secs Computing kpt #: 239 total cpu time spent up to now is 169.1 secs Computing kpt #: 240 total cpu time spent up to now is 169.8 secs Computing kpt #: 241 total cpu time spent up to now is 170.6 secs Computing kpt #: 242 total cpu time spent up to now is 171.3 secs Computing kpt #: 243 total cpu time spent up to now is 172.1 secs Computing kpt #: 244 total cpu time spent up to now is 172.8 secs Computing kpt #: 245 total cpu time spent up to now is 173.6 secs Computing kpt #: 246 total cpu time spent up to now is 174.4 secs Computing kpt #: 247 total cpu time spent up to now is 175.1 secs Computing kpt #: 248 total cpu time spent up to now is 175.9 secs Computing kpt #: 249 total cpu time spent up to now is 176.7 secs Computing kpt #: 250 total cpu time spent up to now is 177.4 secs Computing kpt #: 251 total cpu time spent up to now is 178.2 secs Computing kpt #: 252 total cpu time spent up to now is 178.9 secs Computing kpt #: 253 total cpu time spent up to now is 179.7 secs Computing kpt #: 254 total cpu time spent up to now is 180.5 secs Computing kpt #: 255 total cpu time spent up to now is 181.3 secs Computing kpt #: 256 total cpu time spent up to now is 182.0 secs Computing kpt #: 257 total cpu time spent up to now is 182.8 secs Computing kpt #: 258 total cpu time spent up to now is 183.6 secs Computing kpt #: 259 total cpu time spent up to now is 184.4 secs Computing kpt #: 260 total cpu time spent up to now is 185.2 secs Computing kpt #: 261 total cpu time spent up to now is 185.9 secs Computing kpt #: 262 total cpu time spent up to now is 186.7 secs Computing kpt #: 263 total cpu time spent up to now is 187.5 secs Computing kpt #: 264 total cpu time spent up to now is 188.2 secs Computing kpt #: 265 total cpu time spent up to now is 189.0 secs Computing kpt #: 266 total cpu time spent up to now is 189.8 secs Computing kpt #: 267 total cpu time spent up to now is 190.6 secs Computing kpt #: 268 total cpu time spent up to now is 191.4 secs Computing kpt #: 269 total cpu time spent up to now is 192.4 secs Computing kpt #: 270 total cpu time spent up to now is 193.1 secs Computing kpt #: 271 total cpu time spent up to now is 193.9 secs Computing kpt #: 272 total cpu time spent up to now is 194.6 secs Computing kpt #: 273 total cpu time spent up to now is 195.4 secs Computing kpt #: 274 total cpu time spent up to now is 196.1 secs Computing kpt #: 275 total cpu time spent up to now is 196.9 secs Computing kpt #: 276 total cpu time spent up to now is 197.6 secs Computing kpt #: 277 total cpu time spent up to now is 198.4 secs Computing kpt #: 278 total cpu time spent up to now is 199.1 secs Computing kpt #: 279 total cpu time spent up to now is 199.9 secs Computing kpt #: 280 total cpu time spent up to now is 200.6 secs Computing kpt #: 281 total cpu time spent up to now is 201.4 secs Computing kpt #: 282 total cpu time spent up to now is 202.1 secs Computing kpt #: 283 total cpu time spent up to now is 203.1 secs Computing kpt #: 284 total cpu time spent up to now is 204.1 secs Computing kpt #: 285 total cpu time spent up to now is 205.0 secs Computing kpt #: 286 total cpu time spent up to now is 206.0 secs Computing kpt #: 287 total cpu time spent up to now is 206.8 secs Computing kpt #: 288 total cpu time spent up to now is 207.8 secs Computing kpt #: 289 total cpu time spent up to now is 208.6 secs Computing kpt #: 290 total cpu time spent up to now is 209.4 secs Computing kpt #: 291 total cpu time spent up to now is 210.2 secs Computing kpt #: 292 total cpu time spent up to now is 210.9 secs Computing kpt #: 293 total cpu time spent up to now is 211.7 secs Computing kpt #: 294 total cpu time spent up to now is 212.4 secs Computing kpt #: 295 total cpu time spent up to now is 213.2 secs Computing kpt #: 296 total cpu time spent up to now is 213.9 secs Computing kpt #: 297 total cpu time spent up to now is 214.7 secs Computing kpt #: 298 total cpu time spent up to now is 215.4 secs Computing kpt #: 299 total cpu time spent up to now is 216.1 secs Computing kpt #: 300 total cpu time spent up to now is 216.9 secs Computing kpt #: 301 total cpu time spent up to now is 217.6 secs Computing kpt #: 302 total cpu time spent up to now is 218.3 secs Computing kpt #: 303 total cpu time spent up to now is 219.1 secs Computing kpt #: 304 total cpu time spent up to now is 219.8 secs Computing kpt #: 305 total cpu time spent up to now is 220.5 secs Computing kpt #: 306 total cpu time spent up to now is 221.3 secs Computing kpt #: 307 total cpu time spent up to now is 222.0 secs Computing kpt #: 308 total cpu time spent up to now is 222.7 secs Computing kpt #: 309 total cpu time spent up to now is 223.5 secs Computing kpt #: 310 total cpu time spent up to now is 224.2 secs Computing kpt #: 311 total cpu time spent up to now is 225.0 secs Computing kpt #: 312 total cpu time spent up to now is 225.7 secs Computing kpt #: 313 total cpu time spent up to now is 226.5 secs Computing kpt #: 314 total cpu time spent up to now is 227.2 secs Computing kpt #: 315 total cpu time spent up to now is 227.9 secs Computing kpt #: 316 total cpu time spent up to now is 228.7 secs Computing kpt #: 317 total cpu time spent up to now is 229.6 secs Computing kpt #: 318 total cpu time spent up to now is 230.3 secs Computing kpt #: 319 total cpu time spent up to now is 231.0 secs Computing kpt #: 320 total cpu time spent up to now is 231.7 secs Computing kpt #: 321 total cpu time spent up to now is 232.5 secs Computing kpt #: 322 total cpu time spent up to now is 233.2 secs Computing kpt #: 323 total cpu time spent up to now is 233.9 secs Computing kpt #: 324 total cpu time spent up to now is 234.7 secs Computing kpt #: 325 total cpu time spent up to now is 235.5 secs Computing kpt #: 326 total cpu time spent up to now is 236.3 secs Computing kpt #: 327 total cpu time spent up to now is 237.1 secs Computing kpt #: 328 total cpu time spent up to now is 237.8 secs Computing kpt #: 329 total cpu time spent up to now is 238.6 secs Computing kpt #: 330 total cpu time spent up to now is 239.3 secs Computing kpt #: 331 total cpu time spent up to now is 240.1 secs Computing kpt #: 332 total cpu time spent up to now is 240.9 secs Computing kpt #: 333 total cpu time spent up to now is 241.6 secs Computing kpt #: 334 total cpu time spent up to now is 242.4 secs Computing kpt #: 335 total cpu time spent up to now is 243.1 secs Computing kpt #: 336 total cpu time spent up to now is 243.8 secs Computing kpt #: 337 total cpu time spent up to now is 244.6 secs Computing kpt #: 338 total cpu time spent up to now is 245.3 secs Computing kpt #: 339 total cpu time spent up to now is 246.1 secs Computing kpt #: 340 total cpu time spent up to now is 246.8 secs Computing kpt #: 341 total cpu time spent up to now is 247.5 secs Computing kpt #: 342 total cpu time spent up to now is 248.3 secs Computing kpt #: 343 total cpu time spent up to now is 249.0 secs Computing kpt #: 344 total cpu time spent up to now is 249.8 secs Computing kpt #: 345 total cpu time spent up to now is 250.5 secs Computing kpt #: 346 total cpu time spent up to now is 251.3 secs Computing kpt #: 347 total cpu time spent up to now is 252.0 secs Computing kpt #: 348 total cpu time spent up to now is 252.8 secs Computing kpt #: 349 total cpu time spent up to now is 253.6 secs Computing kpt #: 350 total cpu time spent up to now is 254.5 secs Computing kpt #: 351 total cpu time spent up to now is 255.4 secs Computing kpt #: 352 total cpu time spent up to now is 256.3 secs Computing kpt #: 353 total cpu time spent up to now is 257.2 secs Computing kpt #: 354 total cpu time spent up to now is 258.1 secs Computing kpt #: 355 total cpu time spent up to now is 259.0 secs Computing kpt #: 356 total cpu time spent up to now is 259.9 secs Computing kpt #: 357 total cpu time spent up to now is 260.8 secs Computing kpt #: 358 total cpu time spent up to now is 261.6 secs Computing kpt #: 359 total cpu time spent up to now is 262.4 secs Computing kpt #: 360 total cpu time spent up to now is 263.2 secs Computing kpt #: 361 total cpu time spent up to now is 263.9 secs Computing kpt #: 362 total cpu time spent up to now is 264.7 secs Computing kpt #: 363 total cpu time spent up to now is 265.4 secs Computing kpt #: 364 total cpu time spent up to now is 266.2 secs Computing kpt #: 365 total cpu time spent up to now is 266.9 secs Computing kpt #: 366 total cpu time spent up to now is 267.7 secs Computing kpt #: 367 total cpu time spent up to now is 268.4 secs Computing kpt #: 368 total cpu time spent up to now is 269.1 secs Computing kpt #: 369 total cpu time spent up to now is 269.8 secs Computing kpt #: 370 total cpu time spent up to now is 270.4 secs Computing kpt #: 371 total cpu time spent up to now is 271.1 secs Computing kpt #: 372 total cpu time spent up to now is 271.8 secs Computing kpt #: 373 total cpu time spent up to now is 272.4 secs Computing kpt #: 374 total cpu time spent up to now is 273.1 secs Computing kpt #: 375 total cpu time spent up to now is 273.7 secs Computing kpt #: 376 total cpu time spent up to now is 274.3 secs Computing kpt #: 377 total cpu time spent up to now is 274.9 secs Computing kpt #: 378 total cpu time spent up to now is 275.5 secs Computing kpt #: 379 total cpu time spent up to now is 276.1 secs Computing kpt #: 380 total cpu time spent up to now is 276.8 secs Computing kpt #: 381 total cpu time spent up to now is 277.4 secs Computing kpt #: 382 total cpu time spent up to now is 278.1 secs Computing kpt #: 383 total cpu time spent up to now is 278.8 secs Computing kpt #: 384 total cpu time spent up to now is 279.4 secs Computing kpt #: 385 total cpu time spent up to now is 280.0 secs Computing kpt #: 386 total cpu time spent up to now is 280.6 secs Computing kpt #: 387 total cpu time spent up to now is 281.2 secs Computing kpt #: 388 total cpu time spent up to now is 281.8 secs Computing kpt #: 389 total cpu time spent up to now is 282.5 secs Computing kpt #: 390 total cpu time spent up to now is 283.1 secs Computing kpt #: 391 total cpu time spent up to now is 283.7 secs Computing kpt #: 392 total cpu time spent up to now is 284.3 secs Computing kpt #: 393 total cpu time spent up to now is 284.9 secs Computing kpt #: 394 total cpu time spent up to now is 285.4 secs Computing kpt #: 395 total cpu time spent up to now is 286.0 secs Computing kpt #: 396 total cpu time spent up to now is 286.6 secs Computing kpt #: 397 total cpu time spent up to now is 287.2 secs Computing kpt #: 398 total cpu time spent up to now is 287.7 secs Computing kpt #: 399 total cpu time spent up to now is 288.5 secs Computing kpt #: 400 total cpu time spent up to now is 289.3 secs Computing kpt #: 401 total cpu time spent up to now is 290.1 secs Computing kpt #: 402 total cpu time spent up to now is 290.9 secs Computing kpt #: 403 total cpu time spent up to now is 291.7 secs Computing kpt #: 404 total cpu time spent up to now is 292.5 secs Computing kpt #: 405 total cpu time spent up to now is 293.2 secs Computing kpt #: 406 total cpu time spent up to now is 294.0 secs Computing kpt #: 407 total cpu time spent up to now is 294.8 secs Computing kpt #: 408 total cpu time spent up to now is 295.6 secs Computing kpt #: 409 total cpu time spent up to now is 296.5 secs Computing kpt #: 410 total cpu time spent up to now is 297.2 secs Computing kpt #: 411 total cpu time spent up to now is 298.1 secs Computing kpt #: 412 total cpu time spent up to now is 298.9 secs Computing kpt #: 413 total cpu time spent up to now is 299.8 secs Computing kpt #: 414 total cpu time spent up to now is 300.6 secs Computing kpt #: 415 total cpu time spent up to now is 301.4 secs Computing kpt #: 416 total cpu time spent up to now is 302.2 secs Computing kpt #: 417 total cpu time spent up to now is 303.0 secs Computing kpt #: 418 total cpu time spent up to now is 303.7 secs ethr = 2.94E-08, avg # of iterations = 24.1 total cpu time spent up to now is 303.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4095 PWs) bands (ev): -41.3883 -41.3883 -18.0435 -18.0435 -17.3969 -17.3969 -17.3723 -17.3723 6.6847 6.6847 9.5928 9.5928 9.9468 9.9468 10.1006 10.1006 10.2142 10.2142 11.4728 11.4728 11.4765 11.4765 11.5120 11.5120 11.8292 11.8292 11.9231 11.9231 13.1269 13.1269 14.7556 14.7556 16.3642 16.3642 16.5231 16.5231 16.5773 16.5773 17.7242 17.7242 18.9322 18.9322 k = 0.0000 0.0000 0.0156 ( 4071 PWs) bands (ev): -41.3883 -41.3883 -18.0435 -18.0435 -17.3969 -17.3969 -17.3723 -17.3723 6.6865 6.6865 9.5932 9.5932 9.9469 9.9469 10.1005 10.1005 10.2140 10.2140 11.4466 11.4466 11.4979 11.4979 11.5139 11.5139 11.8283 11.8283 11.9264 11.9264 13.1257 13.1257 14.7567 14.7567 16.3645 16.3645 16.5231 16.5231 16.5770 16.5770 17.7245 17.7245 18.9364 18.9364 k = 0.0000 0.0000 0.0312 ( 4063 PWs) bands (ev): -41.3883 -41.3883 -18.0435 -18.0435 -17.3969 -17.3969 -17.3725 -17.3725 6.6922 6.6922 9.5945 9.5945 9.9471 9.9471 10.1002 10.1002 10.2135 10.2135 11.4181 11.4181 11.4977 11.4977 11.5345 11.5345 11.8262 11.8262 11.9358 11.9358 13.1219 13.1219 14.7599 14.7599 16.3654 16.3654 16.5230 16.5230 16.5760 16.5760 17.7252 17.7252 18.9488 18.9488 k = 0.0000 0.0000 0.0467 ( 4061 PWs) bands (ev): -41.3883 -41.3883 -18.0436 -18.0436 -17.3970 -17.3970 -17.3727 -17.3727 6.7015 6.7015 9.5966 9.5966 9.9473 9.9473 10.0996 10.0996 10.2126 10.2126 11.3896 11.3896 11.4870 11.4870 11.5604 11.5604 11.8239 11.8239 11.9501 11.9501 13.1158 13.1158 14.7652 14.7652 16.3667 16.3667 16.5229 16.5229 16.5744 16.5744 17.7264 17.7264 18.9694 18.9694 k = 0.0000 0.0000 0.0623 ( 4065 PWs) bands (ev): -41.3882 -41.3882 -18.0438 -18.0438 -17.3971 -17.3971 -17.3730 -17.3730 6.7146 6.7146 9.5995 9.5995 9.9477 9.9477 10.0987 10.0987 10.2115 10.2115 11.3615 11.3615 11.4720 11.4720 11.5857 11.5857 11.8221 11.8221 11.9679 11.9679 13.1076 13.1076 14.7725 14.7725 16.3686 16.3686 16.5226 16.5226 16.5724 16.5724 17.7281 17.7281 18.9981 18.9981 k = 0.0000 0.0000 0.0779 ( 4065 PWs) bands (ev): -41.3882 -41.3882 -18.0440 -18.0440 -17.3971 -17.3971 -17.3734 -17.3734 6.7314 6.7314 9.6031 9.6031 9.9482 9.9482 10.0972 10.0972 10.2101 10.2101 11.3339 11.3339 11.4537 11.4537 11.6096 11.6096 11.8212 11.8212 11.9883 11.9883 13.0974 13.0974 14.7818 14.7818 16.3709 16.3709 16.5221 16.5221 16.5700 16.5700 17.7300 17.7300 19.0345 19.0345 k = 0.0000 0.0000 0.0935 ( 4065 PWs) bands (ev): -41.3881 -41.3881 -18.0442 -18.0442 -17.3972 -17.3972 -17.3738 -17.3738 6.7519 6.7519 9.6076 9.6076 9.9487 9.9487 10.0952 10.0952 10.2086 10.2086 11.3073 11.3073 11.4329 11.4329 11.6316 11.6316 11.8214 11.8214 12.0107 12.0107 13.0857 13.0857 14.7929 14.7929 16.3735 16.3735 16.5214 16.5214 16.5676 16.5676 17.7323 17.7323 19.0785 19.0785 k = 0.0000 0.0000 0.1090 ( 4065 PWs) bands (ev): -41.3880 -41.3880 -18.0445 -18.0445 -17.3974 -17.3974 -17.3744 -17.3744 6.7760 6.7760 9.6129 9.6129 9.9494 9.9494 10.0923 10.0923 10.2071 10.2071 11.2816 11.2816 11.4102 11.4102 11.6514 11.6514 11.8229 11.8229 12.0346 12.0346 13.0729 13.0729 14.8057 14.8057 16.3763 16.3763 16.5201 16.5201 16.5653 16.5653 17.7347 17.7347 19.1297 19.1297 k = 0.0000 0.0000 0.1246 ( 4065 PWs) bands (ev): -41.3879 -41.3879 -18.0448 -18.0448 -17.3975 -17.3975 -17.3750 -17.3750 6.8037 6.8037 9.6188 9.6188 9.9502 9.9502 10.0883 10.0883 10.2058 10.2058 11.2573 11.2573 11.3862 11.3862 11.6688 11.6688 11.8253 11.8253 12.0597 12.0597 13.0594 13.0594 14.8202 14.8202 16.3792 16.3792 16.5182 16.5182 16.5636 16.5636 17.7372 17.7372 19.1878 19.1878 k = 0.0000 0.0000 0.1402 ( 4065 PWs) bands (ev): -41.3878 -41.3878 -18.0451 -18.0451 -17.3976 -17.3976 -17.3757 -17.3757 6.8350 6.8350 9.6254 9.6254 9.9510 9.9510 10.0831 10.0831 10.2046 10.2046 11.2344 11.2344 11.3612 11.3612 11.6835 11.6835 11.8287 11.8287 12.0857 12.0857 13.0456 13.0456 14.8361 14.8361 16.3820 16.3820 16.5157 16.5157 16.5628 16.5628 17.7395 17.7395 19.2525 19.2525 k = 0.0000 0.0000 0.1558 ( 4065 PWs) bands (ev): -41.3877 -41.3877 -18.0455 -18.0455 -17.3978 -17.3978 -17.3765 -17.3765 6.8697 6.8697 9.6327 9.6327 9.9518 9.9518 10.0766 10.0766 10.2039 10.2039 11.2131 11.2131 11.3357 11.3357 11.6955 11.6955 11.8327 11.8327 12.1124 12.1124 13.0322 13.0322 14.8533 14.8533 16.3845 16.3845 16.5125 16.5125 16.5630 16.5630 17.7415 17.7415 19.3234 19.3234 k = 0.0000 0.0000 0.1713 ( 4061 PWs) bands (ev): -41.3876 -41.3876 -18.0459 -18.0459 -17.3980 -17.3980 -17.3773 -17.3773 6.9078 6.9078 9.6405 9.6405 9.9526 9.9526 10.0688 10.0688 10.2035 10.2035 11.1937 11.1937 11.3101 11.3101 11.7050 11.7050 11.8370 11.8370 12.1397 12.1397 13.0195 13.0195 14.8717 14.8717 16.3863 16.3863 16.5089 16.5089 16.5643 16.5643 17.7430 17.7430 19.4001 19.4001 k = 0.0000 0.0000 0.1869 ( 4065 PWs) bands (ev): -41.3874 -41.3874 -18.0463 -18.0463 -17.3982 -17.3982 -17.3783 -17.3783 6.9492 6.9492 9.6487 9.6487 9.9533 9.9533 10.0595 10.0595 10.2035 10.2035 11.1761 11.1761 11.2845 11.2845 11.7121 11.7121 11.8411 11.8411 12.1672 12.1672 13.0081 13.0081 14.8911 14.8911 16.3870 16.3870 16.5054 16.5054 16.5667 16.5667 17.7438 17.7438 19.4823 19.4823 k = 0.0000 0.0000 0.2025 ( 4051 PWs) bands (ev): -41.3873 -41.3873 -18.0468 -18.0468 -17.3984 -17.3984 -17.3793 -17.3793 6.9939 6.9939 9.6574 9.6574 9.9538 9.9538 10.0493 10.0493 10.2039 10.2039 11.1607 11.1607 11.2592 11.2592 11.7172 11.7172 11.8448 11.8448 12.1948 12.1948 12.9985 12.9985 14.9113 14.9113 16.3864 16.3864 16.5024 16.5024 16.5702 16.5702 17.7437 17.7437 19.5696 19.5696 k = 0.0000 0.0000 0.2181 ( 4055 PWs) bands (ev): -41.3871 -41.3871 -18.0474 -18.0474 -17.3986 -17.3986 -17.3803 -17.3803 7.0417 7.0417 9.6662 9.6662 9.9537 9.9537 10.0383 10.0383 10.2046 10.2046 11.1474 11.1474 11.2344 11.2344 11.7204 11.7204 11.8478 11.8478 12.2222 12.2222 12.9910 12.9910 14.9321 14.9321 16.3838 16.3838 16.5004 16.5004 16.5748 16.5748 17.7424 17.7424 19.6615 19.6615 k = 0.0000 0.0000 0.2337 ( 4055 PWs) bands (ev): -41.3870 -41.3870 -18.0479 -18.0479 -17.3989 -17.3989 -17.3815 -17.3815 7.0925 7.0925 9.6751 9.6751 9.9525 9.9525 10.0274 10.0274 10.2054 10.2054 11.1364 11.1364 11.2104 11.2104 11.7219 11.7219 11.8500 11.8500 12.2493 12.2493 12.9862 12.9862 14.9535 14.9535 16.3790 16.3790 16.4997 16.4997 16.5804 16.5804 17.7398 17.7398 19.7578 19.7578 k = 0.0000 0.0000 0.2492 ( 4047 PWs) bands (ev): -41.3868 -41.3868 -18.0485 -18.0485 -17.3991 -17.3991 -17.3826 -17.3826 7.1462 7.1462 9.6839 9.6839 9.9497 9.9497 10.0176 10.0176 10.2063 10.2063 11.1276 11.1276 11.1872 11.1872 11.7219 11.7219 11.8513 11.8513 12.2758 12.2758 12.9841 12.9841 14.9751 14.9751 16.3719 16.3719 16.5007 16.5007 16.5871 16.5871 17.7356 17.7356 19.8582 19.8582 k = 0.0000 0.0000 0.2648 ( 4045 PWs) bands (ev): -41.3866 -41.3866 -18.0491 -18.0491 -17.3994 -17.3994 -17.3839 -17.3839 7.2027 7.2027 9.6920 9.6920 9.9446 9.9446 10.0100 10.0100 10.2071 10.2071 11.1211 11.1211 11.1651 11.1651 11.7204 11.7204 11.8519 11.8519 12.3016 12.3016 12.9851 12.9851 14.9969 14.9969 16.3625 16.3625 16.5031 16.5031 16.5949 16.5949 17.7296 17.7296 19.9621 19.9621 k = 0.0000 0.0000 0.2804 ( 4045 PWs) bands (ev): -41.3864 -41.3864 -18.0498 -18.0498 -17.3997 -17.3997 -17.3852 -17.3852 7.2618 7.2618 9.6993 9.6993 9.9369 9.9369 10.0054 10.0054 10.2077 10.2077 11.1169 11.1169 11.1442 11.1442 11.7175 11.7175 11.8519 11.8519 12.3265 12.3265 12.9893 12.9893 15.0187 15.0187 16.3508 16.3508 16.5069 16.5069 16.6038 16.6038 17.7216 17.7216 20.0695 20.0695 k = 0.0000 0.0000 0.2960 ( 4045 PWs) bands (ev): -41.3862 -41.3862 -18.0504 -18.0504 -17.4000 -17.4000 -17.3865 -17.3865 7.3233 7.3233 9.7050 9.7050 9.9276 9.9276 10.0036 10.0036 10.2079 10.2079 11.1149 11.1149 11.1247 11.1247 11.7133 11.7133 11.8516 11.8516 12.3503 12.3503 12.9966 12.9966 15.0402 15.0402 16.3372 16.3372 16.5119 16.5119 16.6139 16.6139 17.7115 17.7115 20.1798 20.1798 k = 0.0000 0.0000 0.3115 ( 4049 PWs) bands (ev): -41.3860 -41.3860 -18.0511 -18.0511 -17.4003 -17.4003 -17.3879 -17.3879 7.3870 7.3870 9.7084 9.7084 9.9181 9.9181 10.0041 10.0041 10.2077 10.2077 11.1066 11.1066 11.1152 11.1152 11.7079 11.7079 11.8513 11.8513 12.3730 12.3730 13.0070 13.0070 15.0613 15.0613 16.3217 16.3217 16.5179 16.5179 16.6251 16.6251 17.6991 17.6991 20.2929 20.2929 k = 0.0000 0.0000 0.3271 ( 4051 PWs) bands (ev): -41.3858 -41.3858 -18.0519 -18.0519 -17.4006 -17.4006 -17.3893 -17.3893 7.4528 7.4528 9.7088 9.7088 9.9100 9.9100 10.0062 10.0062 10.2070 10.2070 11.0901 11.0901 11.1176 11.1176 11.7015 11.7015 11.8510 11.8510 12.3945 12.3945 13.0203 13.0203 15.0818 15.0818 16.3046 16.3046 16.5247 16.5247 16.6376 16.6376 17.6844 17.6844 20.4083 20.4083 k = 0.0000 0.0000 0.3427 ( 4049 PWs) bands (ev): -41.3855 -41.3855 -18.0526 -18.0526 -17.4009 -17.4009 -17.3908 -17.3908 7.5203 7.5203 9.7055 9.7055 9.9047 9.9047 10.0094 10.0094 10.2057 10.2057 11.0754 11.0754 11.1220 11.1220 11.6944 11.6944 11.8512 11.8512 12.4148 12.4148 13.0362 13.0362 15.1015 15.1015 16.2859 16.2859 16.5322 16.5322 16.6513 16.6513 17.6672 17.6672 20.5258 20.5258 k = 0.0000 0.0000 0.3583 ( 4057 PWs) bands (ev): -41.3853 -41.3853 -18.0534 -18.0534 -17.4013 -17.4013 -17.3923 -17.3923 7.5894 7.5894 9.6983 9.6983 9.9028 9.9028 10.0134 10.0134 10.2039 10.2039 11.0625 11.0625 11.1284 11.1284 11.6868 11.6868 11.8517 11.8517 12.4338 12.4338 13.0544 13.0544 15.1202 15.1202 16.2657 16.2657 16.5403 16.5403 16.6664 16.6664 17.6476 17.6476 20.6449 20.6449 k = 0.0000 0.0000 0.3738 ( 4049 PWs) bands (ev): -41.3851 -41.3851 -18.0542 -18.0542 -17.4016 -17.4016 -17.3938 -17.3938 7.6598 7.6598 9.6874 9.6874 9.9043 9.9043 10.0181 10.0181 10.2016 10.2016 11.0515 11.0515 11.1367 11.1367 11.6792 11.6792 11.8528 11.8528 12.4516 12.4516 13.0746 13.0746 15.1377 15.1377 16.2441 16.2441 16.5489 16.5489 16.6827 16.6827 17.6257 17.6257 20.7654 20.7654 k = 0.0000 0.0000 0.3894 ( 4045 PWs) bands (ev): -41.3848 -41.3848 -18.0550 -18.0550 -17.4020 -17.4020 -17.3954 -17.3954 7.7311 7.7311 9.6734 9.6734 9.9088 9.9088 10.0234 10.0234 10.1988 10.1988 11.0424 11.0424 11.1468 11.1468 11.6719 11.6719 11.8545 11.8545 12.4683 12.4683 13.0964 13.0964 15.1537 15.1537 16.2210 16.2210 16.5581 16.5581 16.7005 16.7005 17.6015 17.6015 20.8860 20.8860 k = 0.0000 0.0000 0.4050 ( 4041 PWs) bands (ev): -41.3846 -41.3846 -18.0558 -18.0558 -17.4023 -17.4023 -17.3969 -17.3969 7.8030 7.8030 9.6574 9.6574 9.9156 9.9156 10.0290 10.0290 10.1959 10.1959 11.0353 11.0353 11.1587 11.1587 11.6654 11.6654 11.8568 11.8568 12.4839 12.4839 13.1193 13.1193 15.1681 15.1681 16.1966 16.1966 16.5676 16.5676 16.7197 16.7197 17.5753 17.5753 20.9502 20.9503 k = 0.0000 0.0000 0.4206 ( 4045 PWs) bands (ev): -41.3843 -41.3843 -18.0567 -18.0567 -17.4028 -17.4028 -17.3985 -17.3985 7.8751 7.8751 9.6401 9.6401 9.9241 9.9241 10.0349 10.0349 10.1929 10.1929 11.0303 11.0303 11.1721 11.1721 11.6600 11.6600 11.8598 11.8598 12.4984 12.4984 13.1430 13.1430 15.1805 15.1805 16.1707 16.1707 16.5777 16.5777 16.7402 16.7402 17.5473 17.5473 20.8230 20.8230 k = 0.0000 0.0000 0.4362 ( 4045 PWs) bands (ev): -41.3841 -41.3841 -18.0575 -18.0575 -17.4032 -17.4032 -17.4000 -17.4000 7.9470 7.9470 9.6221 9.6221 9.9335 9.9335 10.0407 10.0407 10.1904 10.1904 11.0273 11.0273 11.1871 11.1871 11.6562 11.6562 11.8635 11.8635 12.5120 12.5120 13.1670 13.1670 15.1908 15.1908 16.1434 16.1434 16.5881 16.5881 16.7622 16.7622 17.5177 17.5177 20.6891 20.6891 k = 0.0000 0.0000 0.4517 ( 4041 PWs) bands (ev): -41.3838 -41.3838 -18.0584 -18.0584 -17.4038 -17.4038 -17.4014 -17.4014 8.0184 8.0184 9.6042 9.6042 9.9435 9.9435 10.0461 10.0461 10.1888 10.1888 11.0264 11.0264 11.2034 11.2034 11.6542 11.6542 11.8679 11.8679 12.5246 12.5246 13.1911 13.1911 15.1987 15.1987 16.1147 16.1147 16.5991 16.5991 16.7857 16.7857 17.4870 17.4870 20.5554 20.5554 k = 0.0000 0.0000 0.4673 ( 4047 PWs) bands (ev): -41.3836 -41.3836 -18.0592 -18.0592 -17.4047 -17.4047 -17.4025 -17.4025 8.0886 8.0886 9.5867 9.5867 9.9535 9.9535 10.0508 10.0508 10.1888 10.1888 11.0275 11.0275 11.2210 11.2210 11.6546 11.6546 11.8732 11.8732 12.5363 12.5363 13.2148 13.2148 15.2041 15.2041 16.0845 16.0845 16.6105 16.6105 16.8106 16.8106 17.4555 17.4555 20.4235 20.4235 k = 0.0000 0.0000 0.4829 ( 4043 PWs) bands (ev): -41.3833 -41.3833 -18.0601 -18.0601 -17.4060 -17.4060 -17.4033 -17.4033 8.1573 8.1573 9.5701 9.5701 9.9633 9.9633 10.0543 10.0543 10.1911 10.1911 11.0306 11.0306 11.2397 11.2397 11.6575 11.6575 11.8792 11.8792 12.5472 12.5472 13.2378 13.2378 15.2066 15.2066 16.0528 16.0528 16.6224 16.6224 16.8370 16.8370 17.4235 17.4235 20.2946 20.2946 k = 0.0000 0.0000 0.4985 ( 4043 PWs) bands (ev): -41.3831 -41.3831 -18.0610 -18.0610 -17.4074 -17.4074 -17.4038 -17.4038 8.2240 8.2240 9.5546 9.5546 9.9724 9.9724 10.0565 10.0565 10.1963 10.1963 11.0357 11.0357 11.2593 11.2593 11.6634 11.6634 11.8863 11.8863 12.5573 12.5573 13.2597 13.2597 15.2061 15.2061 16.0196 16.0196 16.6349 16.6349 16.8647 16.8647 17.3917 17.3917 20.1693 20.1693 k = 0.0000 0.0000 0.5140 ( 4047 PWs) bands (ev): -41.3828 -41.3828 -18.0619 -18.0619 -17.4090 -17.4090 -17.4043 -17.4043 8.2881 8.2881 9.5404 9.5404 9.9804 9.9804 10.0573 10.0573 10.2048 10.2048 11.0426 11.0426 11.2797 11.2797 11.6725 11.6725 11.8944 11.8944 12.5668 12.5668 13.2802 13.2802 15.2024 15.2024 15.9848 15.9848 16.6479 16.6479 16.8937 16.8937 17.3604 17.3604 20.0479 20.0479 k = 0.0000 0.0000 0.5296 ( 4055 PWs) bands (ev): -41.3826 -41.3826 -18.0628 -18.0628 -17.4106 -17.4106 -17.4047 -17.4047 8.3492 8.3492 9.5278 9.5278 9.9868 9.9868 10.0572 10.0572 10.2168 10.2168 11.0514 11.0514 11.3007 11.3007 11.6851 11.6851 11.9037 11.9037 12.5755 12.5755 13.2991 13.2991 15.1955 15.1955 15.9483 15.9483 16.6616 16.6616 16.9240 16.9240 17.3301 17.3301 19.9310 19.9310 k = 0.0000 0.0000 0.5452 ( 4059 PWs) bands (ev): -41.3823 -41.3823 -18.0637 -18.0637 -17.4121 -17.4121 -17.4051 -17.4051 8.4067 8.4067 9.5169 9.5169 9.9910 9.9910 10.0572 10.0572 10.2319 10.2319 11.0619 11.0619 11.3220 11.3220 11.7014 11.7014 11.9144 11.9144 12.5837 12.5837 13.3160 13.3160 15.1853 15.1853 15.9102 15.9102 16.6759 16.6759 16.9554 16.9554 17.3013 17.3013 19.8186 19.8186 k = 0.0000 0.0000 0.5608 ( 4053 PWs) bands (ev): -41.3821 -41.3821 -18.0646 -18.0646 -17.4137 -17.4137 -17.4054 -17.4054 8.4604 8.4604 9.5079 9.5079 9.9923 9.9923 10.0580 10.0580 10.2500 10.2500 11.0740 11.0740 11.3435 11.3435 11.7217 11.7217 11.9266 11.9266 12.5915 12.5915 13.3308 13.3308 15.1718 15.1718 15.8703 15.8703 16.6909 16.6909 16.9877 16.9877 17.2747 17.2747 19.7110 19.7110 k = 0.0000 0.0000 0.5763 ( 4053 PWs) bands (ev): -41.3818 -41.3818 -18.0654 -18.0654 -17.4153 -17.4153 -17.4058 -17.4058 8.5099 8.5099 9.5008 9.5008 9.9906 9.9906 10.0602 10.0602 10.2707 10.2707 11.0876 11.0876 11.3649 11.3649 11.7460 11.7460 11.9406 11.9406 12.5989 12.5989 13.3431 13.3431 15.1551 15.1551 15.8286 15.8286 16.7066 16.7066 17.0203 17.0203 17.2508 17.2508 19.6082 19.6082 k = 0.0000 0.0000 0.5919 ( 4049 PWs) bands (ev): -41.3816 -41.3816 -18.0663 -18.0663 -17.4169 -17.4169 -17.4061 -17.4061 8.5550 8.5550 9.4956 9.4956 9.9863 9.9863 10.0637 10.0637 10.2936 10.2936 11.1024 11.1024 11.3860 11.3860 11.7744 11.7744 11.9568 11.9568 12.6062 12.6062 13.3529 13.3529 15.1354 15.1354 15.7850 15.7850 16.7230 16.7230 17.0524 17.0524 17.2309 17.2309 19.5105 19.5105 k = 0.0000 0.0000 0.6075 ( 4049 PWs) bands (ev): -41.3813 -41.3813 -18.0672 -18.0672 -17.4184 -17.4184 -17.4065 -17.4065 8.5955 8.5955 9.4922 9.4922 9.9802 9.9802 10.0681 10.0681 10.3184 10.3184 11.1182 11.1182 11.4067 11.4067 11.8066 11.8066 11.9754 11.9754 12.6135 12.6135 13.3599 13.3599 15.1128 15.1128 15.7396 15.7396 16.7402 16.7402 17.0819 17.0819 17.2171 17.2171 19.4178 19.4178 k = 0.0000 0.0000 0.6231 ( 4045 PWs) bands (ev): -41.3811 -41.3811 -18.0680 -18.0680 -17.4199 -17.4199 -17.4068 -17.4068 8.6314 8.6314 9.4907 9.4907 9.9727 9.9727 10.0729 10.0729 10.3446 10.3446 11.1348 11.1348 11.4269 11.4269 11.8424 11.8424 11.9969 11.9969 12.6212 12.6212 13.3640 13.3640 15.0876 15.0876 15.6923 15.6923 16.7580 16.7580 17.1044 17.1044 17.2138 17.2138 19.3302 19.3302 k = 0.0000 0.0000 0.6386 ( 4045 PWs) bands (ev): -41.3809 -41.3809 -18.0688 -18.0688 -17.4214 -17.4214 -17.4071 -17.4071 8.6629 8.6629 9.4909 9.4909 9.9644 9.9644 10.0778 10.0778 10.3719 10.3719 11.1518 11.1518 11.4464 11.4464 11.8809 11.8809 12.0219 12.0219 12.6294 12.6294 13.3651 13.3651 15.0603 15.0603 15.6431 15.6431 16.7766 16.7766 17.1146 17.1146 17.2263 17.2263 19.2477 19.2477 k = 0.0000 0.0000 0.6542 ( 4049 PWs) bands (ev): -41.3806 -41.3806 -18.0697 -18.0697 -17.4229 -17.4229 -17.4075 -17.4075 8.6902 8.6902 9.4927 9.4927 9.9557 9.9557 10.0826 10.0826 10.4001 10.4001 11.1688 11.1688 11.4652 11.4652 11.9214 11.9214 12.0511 12.0511 12.6387 12.6387 13.3632 13.3632 15.0311 15.0311 15.5922 15.5922 16.7957 16.7957 17.1140 17.1140 17.2529 17.2529 19.1702 19.1702 k = 0.0000 0.0000 0.6698 ( 4049 PWs) bands (ev): -41.3804 -41.3804 -18.0705 -18.0705 -17.4243 -17.4243 -17.4078 -17.4078 8.7136 8.7136 9.4958 9.4958 9.9469 9.9469 10.0872 10.0872 10.4287 10.4287 11.1855 11.1855 11.4834 11.4834 11.9627 11.9627 12.0851 12.0851 12.6497 12.6497 13.3582 13.3582 15.0007 15.0007 15.5395 15.5395 16.8153 16.8153 17.1088 17.1088 17.2874 17.2874 19.0977 19.0977 k = 0.0000 0.0000 0.6854 ( 4053 PWs) bands (ev): -41.3802 -41.3802 -18.0712 -18.0712 -17.4257 -17.4257 -17.4081 -17.4081 8.7334 8.7334 9.5002 9.5002 9.9379 9.9379 10.0915 10.0915 10.4574 10.4574 11.2014 11.2014 11.5009 11.5009 12.0036 12.0036 12.1241 12.1241 12.6629 12.6629 13.3503 13.3503 14.9693 14.9693 15.4854 15.4854 16.8353 16.8353 17.1027 17.1027 17.3258 17.3258 19.0300 19.0300 k = 0.0000 0.0000 0.7010 ( 4057 PWs) bands (ev): -41.3800 -41.3800 -18.0720 -18.0720 -17.4270 -17.4270 -17.4084 -17.4084 8.7500 8.7500 9.5056 9.5056 9.9291 9.9291 10.0955 10.0955 10.4860 10.4860 11.2162 11.2162 11.5179 11.5179 12.0435 12.0435 12.1676 12.1676 12.6793 12.6793 13.3394 13.3394 14.9375 14.9375 15.4298 15.4298 16.8556 16.8556 17.0972 17.0972 17.3662 17.3662 18.9671 18.9671 k = 0.0000 0.0000 0.7165 ( 4055 PWs) bands (ev): -41.3798 -41.3798 -18.0727 -18.0727 -17.4283 -17.4283 -17.4087 -17.4087 8.7639 8.7639 9.5119 9.5119 9.9205 9.9205 10.0992 10.0992 10.5143 10.5143 11.2296 11.2296 11.5343 11.5343 12.0827 12.0827 12.2140 12.2140 12.7001 12.7001 13.3256 13.3256 14.9059 14.9059 15.3730 15.3730 16.8758 16.8758 17.0929 17.0929 17.4079 17.4079 18.9088 18.9088 k = 0.0000 0.0000 0.7321 ( 4059 PWs) bands (ev): -41.3796 -41.3796 -18.0734 -18.0734 -17.4295 -17.4295 -17.4089 -17.4089 8.7753 8.7753 9.5189 9.5189 9.9122 9.9122 10.1024 10.1024 10.5420 10.5420 11.2411 11.2411 11.5503 11.5503 12.1214 12.1214 12.2610 12.2610 12.7263 12.7263 13.3092 13.3092 14.8749 14.8749 15.3154 15.3154 16.8959 16.8959 17.0900 17.0900 17.4502 17.4502 18.8550 18.8550 k = 0.0000 0.0000 0.7477 ( 4059 PWs) bands (ev): -41.3794 -41.3794 -18.0741 -18.0741 -17.4307 -17.4307 -17.4092 -17.4092 8.7846 8.7846 9.5266 9.5266 9.9042 9.9042 10.1054 10.1054 10.5691 10.5691 11.2507 11.2507 11.5659 11.5659 12.1600 12.1600 12.3064 12.3064 12.7592 12.7592 13.2902 13.2902 14.8450 14.8450 15.2571 15.2571 16.9153 16.9153 17.0888 17.0888 17.4929 17.4929 18.8054 18.8054 k = 0.0000 0.0000 0.7633 ( 4063 PWs) bands (ev): -41.3792 -41.3792 -18.0748 -18.0748 -17.4318 -17.4318 -17.4094 -17.4094 8.7923 8.7923 9.5348 9.5348 9.8966 9.8966 10.1079 10.1079 10.5954 10.5954 11.2583 11.2583 11.5810 11.5810 12.1988 12.1988 12.3485 12.3485 12.7994 12.7994 13.2688 13.2688 14.8166 14.8166 15.1985 15.1985 16.9336 16.9336 17.0893 17.0893 17.5356 17.5356 18.7600 18.7600 k = 0.0000 0.0000 0.7788 ( 4059 PWs) bands (ev): -41.3791 -41.3791 -18.0754 -18.0754 -17.4329 -17.4329 -17.4097 -17.4097 8.7984 8.7984 9.5433 9.5433 9.8894 9.8894 10.1102 10.1102 10.6208 10.6208 11.2637 11.2637 11.5956 11.5956 12.2376 12.2376 12.3865 12.3865 12.8469 12.8469 13.2454 13.2454 14.7903 14.7903 15.1400 15.1400 16.9504 16.9504 17.0917 17.0917 17.5780 17.5780 18.7184 18.7184 k = 0.0000 0.0000 0.7944 ( 4059 PWs) bands (ev): -41.3789 -41.3789 -18.0760 -18.0760 -17.4339 -17.4339 -17.4099 -17.4099 8.8033 8.8033 9.5522 9.5522 9.8826 9.8826 10.1121 10.1121 10.6454 10.6454 11.2670 11.2670 11.6096 11.6096 12.2761 12.2761 12.4204 12.4204 12.9006 12.9006 13.2201 13.2201 14.7662 14.7662 15.0822 15.0822 16.9649 16.9649 17.0962 17.0962 17.6200 17.6200 18.6806 18.6806 k = 0.0000 0.0000 0.8100 ( 4059 PWs) bands (ev): -41.3788 -41.3788 -18.0765 -18.0765 -17.4348 -17.4348 -17.4101 -17.4101 8.8072 8.8072 9.5612 9.5612 9.8763 9.8763 10.1137 10.1137 10.6689 10.6689 11.2685 11.2685 11.6229 11.6229 12.3138 12.3138 12.4512 12.4512 12.9590 12.9590 13.1932 13.1932 14.7445 14.7445 15.0258 15.0258 16.9767 16.9767 17.1030 17.1030 17.6611 17.6611 18.6463 18.6463 k = 0.0000 0.0000 0.8256 ( 4053 PWs) bands (ev): -41.3786 -41.3786 -18.0770 -18.0770 -17.4357 -17.4357 -17.4103 -17.4103 8.8103 8.8103 9.5703 9.5703 9.8705 9.8705 10.1149 10.1149 10.6914 10.6914 11.2682 11.2682 11.6354 11.6354 12.3500 12.3500 12.4803 12.4803 13.0199 13.0199 13.1651 13.1651 14.7251 14.7251 14.9716 14.9716 16.9854 16.9854 17.1121 17.1121 17.7011 17.7011 18.6154 18.6154 k = 0.0000 0.0000 0.8411 ( 4053 PWs) bands (ev): -41.3785 -41.3785 -18.0775 -18.0775 -17.4366 -17.4366 -17.4105 -17.4105 8.8127 8.8127 9.5794 9.5794 9.8652 9.8652 10.1159 10.1159 10.7128 10.7128 11.2663 11.2663 11.6470 11.6470 12.3841 12.3841 12.5090 12.5090 13.0810 13.0810 13.1362 13.1362 14.7074 14.7074 14.9210 14.9210 16.9911 16.9911 17.1231 17.1231 17.7398 17.7398 18.5876 18.5876 k = 0.0000 0.0000 0.8567 ( 4053 PWs) bands (ev): -41.3784 -41.3784 -18.0780 -18.0780 -17.4373 -17.4373 -17.4107 -17.4107 8.8146 8.8146 9.5883 9.5883 9.8603 9.8603 10.1166 10.1166 10.7330 10.7330 11.2632 11.2632 11.6576 11.6576 12.4156 12.4156 12.5383 12.5383 13.1048 13.1048 13.1426 13.1426 14.6901 14.6901 14.8760 14.8760 16.9939 16.9939 17.1355 17.1355 17.7767 17.7767 18.5627 18.5627 k = 0.0000 0.0000 0.8723 ( 4051 PWs) bands (ev): -41.3783 -41.3783 -18.0784 -18.0784 -17.4380 -17.4380 -17.4108 -17.4108 8.8160 8.8160 9.5970 9.5970 9.8560 9.8560 10.1171 10.1171 10.7520 10.7520 11.2592 11.2592 11.6671 11.6671 12.4443 12.4443 12.5683 12.5683 13.0753 13.0753 13.1993 13.1993 14.6709 14.6709 14.8394 14.8394 16.9944 16.9944 17.1485 17.1485 17.8116 17.8116 18.5407 18.5407 k = 0.0000 0.0000 0.8879 ( 4051 PWs) bands (ev): -41.3782 -41.3782 -18.0787 -18.0787 -17.4386 -17.4386 -17.4109 -17.4109 8.8170 8.8170 9.6052 9.6052 9.8521 9.8521 10.1174 10.1174 10.7696 10.7696 11.2544 11.2544 11.6754 11.6754 12.4704 12.4704 12.5987 12.5987 13.0453 13.0453 13.2521 13.2521 14.6474 14.6474 14.8139 14.8139 16.9932 16.9932 17.1616 17.1616 17.8441 17.8441 18.5214 18.5214 k = 0.0000 0.0000 0.9035 ( 4043 PWs) bands (ev): -41.3781 -41.3781 -18.0791 -18.0791 -17.4392 -17.4392 -17.4111 -17.4111 8.8178 8.8178 9.6130 9.6130 9.8487 9.8487 10.1175 10.1175 10.7856 10.7856 11.2492 11.2492 11.6826 11.6826 12.4947 12.4947 12.6285 12.6285 13.0160 13.0160 13.2997 13.2997 14.6193 14.6193 14.7999 14.7999 16.9905 16.9905 17.1741 17.1741 17.8739 17.8739 18.5047 18.5047 k = 0.0000 0.0000 0.9190 ( 4043 PWs) bands (ev): -41.3780 -41.3780 -18.0793 -18.0793 -17.4396 -17.4396 -17.4112 -17.4112 8.8184 8.8184 9.6200 9.6200 9.8458 9.8458 10.1174 10.1174 10.8000 10.8000 11.2439 11.2439 11.6886 11.6886 12.5174 12.5174 12.6564 12.6564 12.9879 12.9879 13.3413 13.3413 14.5886 14.5886 14.7954 14.7954 16.9870 16.9870 17.1856 17.1856 17.9006 17.9006 18.4904 18.4904 k = 0.0000 0.0000 0.9346 ( 4041 PWs) bands (ev): -41.3779 -41.3779 -18.0796 -18.0796 -17.4401 -17.4401 -17.4113 -17.4113 8.8188 8.8188 9.6263 9.6263 9.8434 9.8434 10.1173 10.1173 10.8126 10.8126 11.2388 11.2388 11.6935 11.6935 12.5389 12.5389 12.6810 12.6810 12.9619 12.9619 13.3765 13.3765 14.5582 14.5582 14.7971 14.7971 16.9830 16.9830 17.1959 17.1959 17.9239 17.9239 18.4784 18.4784 k = 0.0000 0.0000 0.9502 ( 4037 PWs) bands (ev): -41.3779 -41.3779 -18.0798 -18.0798 -17.4404 -17.4404 -17.4113 -17.4113 8.8190 8.8190 9.6316 9.6316 9.8414 9.8414 10.1172 10.1172 10.8233 10.8233 11.2342 11.2342 11.6974 11.6974 12.5591 12.5591 12.7013 12.7013 12.9389 12.9389 13.4051 13.4051 14.5307 14.5307 14.8022 14.8022 16.9789 16.9789 17.2046 17.2046 17.9435 17.9435 18.4687 18.4687 k = 0.0000 0.0000 0.9658 ( 4033 PWs) bands (ev): -41.3779 -41.3779 -18.0799 -18.0799 -17.4407 -17.4407 -17.4114 -17.4114 8.8192 8.8192 9.6358 9.6358 9.8398 9.8398 10.1170 10.1170 10.8318 10.8318 11.2303 11.2303 11.7003 11.7003 12.5772 12.5772 12.7161 12.7161 12.9201 12.9201 13.4272 13.4272 14.5076 14.5076 14.8086 14.8086 16.9752 16.9752 17.2115 17.2115 17.9590 17.9590 18.4612 18.4612 k = 0.0000 0.0000 0.9813 ( 4027 PWs) bands (ev): -41.3778 -41.3778 -18.0800 -18.0800 -17.4408 -17.4408 -17.4114 -17.4114 8.8193 8.8193 9.6390 9.6390 9.8387 9.8387 10.1168 10.1168 10.8380 10.8380 11.2273 11.2273 11.7024 11.7024 12.5923 12.5923 12.7251 12.7251 12.9065 12.9065 13.4428 13.4428 14.4903 14.4903 14.8143 14.8143 16.9723 16.9723 17.2166 17.2166 17.9703 17.9703 18.4559 18.4559 k = 0.0000 0.0000 0.9969 ( 4033 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 8.8194 8.8194 9.6409 9.6409 9.8381 9.8381 10.1167 10.1167 10.8417 10.8417 11.2254 11.2254 11.7036 11.7036 12.6026 12.6026 12.7294 12.7294 12.8985 12.8985 13.4521 13.4521 14.4796 14.4796 14.8183 14.8183 16.9704 16.9704 17.2197 17.2197 17.9772 17.9772 18.4528 18.4528 k = 0.0000 0.0000 1.0125 ( 4030 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 8.8194 8.8194 9.6415 9.6415 9.8379 9.8379 10.1167 10.1167 10.8430 10.8430 11.2248 11.2248 11.7040 11.7040 12.6063 12.6063 12.7305 12.7305 12.8959 12.8959 13.4551 13.4551 14.4760 14.4760 14.8197 14.8197 16.9697 16.9697 17.2207 17.2207 17.9794 17.9794 18.4517 18.4517 k = 0.0000 0.0000 1.0125 ( 4030 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 8.8194 8.8194 9.6415 9.6415 9.8379 9.8379 10.1167 10.1167 10.8430 10.8430 11.2248 11.2248 11.7040 11.7040 12.6063 12.6063 12.7305 12.7305 12.8959 12.8959 13.4551 13.4551 14.4760 14.4760 14.8197 14.8197 16.9697 16.9697 17.2207 17.2207 17.9794 17.9794 18.4517 18.4517 k =-0.0073 0.0129 1.0125 ( 4038 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 8.8204 8.8204 9.6416 9.6416 9.8378 9.8378 10.1163 10.1163 10.8416 10.8416 11.2252 11.2252 11.7033 11.7033 12.6065 12.6065 12.7258 12.7258 12.8961 12.8961 13.4548 13.4548 14.4719 14.4719 14.8243 14.8243 16.9699 16.9699 17.2209 17.2209 17.9800 17.9800 18.4562 18.4562 k =-0.0147 0.0258 1.0125 ( 4050 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4409 -17.4409 -17.4115 -17.4115 8.8234 8.8234 9.6420 9.6420 9.8375 9.8375 10.1152 10.1152 10.8375 10.8375 11.2266 11.2266 11.7012 11.7012 12.6070 12.6070 12.7122 12.7122 12.8964 12.8964 13.4537 13.4537 14.4595 14.4595 14.8382 14.8382 16.9704 16.9704 17.2214 17.2214 17.9818 17.9818 18.4695 18.4695 k =-0.0220 0.0387 1.0125 ( 4054 PWs) bands (ev): -41.3778 -41.3778 -18.0800 -18.0800 -17.4407 -17.4407 -17.4114 -17.4114 8.8283 8.8283 9.6426 9.6426 9.8370 9.8370 10.1134 10.1134 10.8308 10.8308 11.2286 11.2286 11.6977 11.6977 12.6076 12.6076 12.6908 12.6908 12.8963 12.8963 13.4519 13.4519 14.4394 14.4394 14.8608 14.8608 16.9713 16.9713 17.2222 17.2222 17.9848 17.9848 18.4909 18.4909 k =-0.0293 0.0516 1.0125 ( 4054 PWs) bands (ev): -41.3779 -41.3779 -18.0798 -18.0798 -17.4404 -17.4404 -17.4114 -17.4114 8.8351 8.8351 9.6434 9.6434 9.8364 9.8364 10.1107 10.1107 10.8218 10.8218 11.2311 11.2311 11.6929 11.6929 12.6071 12.6071 12.6636 12.6636 12.8954 12.8954 13.4495 13.4495 14.4122 14.4122 14.8917 14.8917 16.9725 16.9725 17.2235 17.2235 17.9889 17.9889 18.5193 18.5193 k =-0.0367 0.0645 1.0125 ( 4050 PWs) bands (ev): -41.3779 -41.3779 -18.0796 -18.0796 -17.4401 -17.4401 -17.4113 -17.4113 8.8438 8.8438 9.6444 9.6444 9.8356 9.8356 10.1072 10.1072 10.8107 10.8107 11.2338 11.2338 11.6869 11.6869 12.6003 12.6003 12.6371 12.6371 12.8935 12.8935 13.4464 13.4464 14.3787 14.3787 14.9300 14.9300 16.9741 16.9741 17.2251 17.2251 17.9944 17.9944 18.5533 18.5533 k =-0.0440 0.0774 1.0125 ( 4050 PWs) bands (ev): -41.3780 -41.3780 -18.0794 -18.0794 -17.4398 -17.4398 -17.4113 -17.4113 8.8543 8.8543 9.6457 9.6457 9.8345 9.8345 10.1028 10.1028 10.7977 10.7977 11.2363 11.2363 11.6795 11.6795 12.5728 12.5728 12.6263 12.6263 12.8904 12.8904 13.4427 13.4427 14.3398 14.3398 14.9749 14.9749 16.9761 16.9761 17.2271 17.2271 18.0010 18.0010 18.5912 18.5912 k =-0.0513 0.0903 1.0125 ( 4050 PWs) bands (ev): -41.3780 -41.3780 -18.0792 -18.0792 -17.4393 -17.4393 -17.4112 -17.4112 8.8665 8.8665 9.6472 9.6472 9.8333 9.8333 10.0974 10.0974 10.7832 10.7832 11.2384 11.2384 11.6710 11.6710 12.5310 12.5310 12.6257 12.6257 12.8863 12.8863 13.4385 13.4385 14.2966 14.2966 15.0257 15.0257 16.9784 16.9784 17.2296 17.2296 18.0090 18.0090 18.6311 18.6311 k =-0.0586 0.1033 1.0125 ( 4064 PWs) bands (ev): -41.3781 -41.3781 -18.0789 -18.0789 -17.4388 -17.4388 -17.4111 -17.4111 8.8804 8.8804 9.6489 9.6489 9.8319 9.8319 10.0909 10.0909 10.7674 10.7674 11.2398 11.2398 11.6614 11.6614 12.4835 12.4835 12.6274 12.6274 12.8813 12.8813 13.4337 13.4337 14.2502 14.2502 15.0813 15.0813 16.9810 16.9810 17.2325 17.2325 18.0183 18.0183 18.6710 18.6710 k =-0.0660 0.1162 1.0125 ( 4064 PWs) bands (ev): -41.3782 -41.3782 -18.0785 -18.0785 -17.4382 -17.4382 -17.4110 -17.4110 8.8958 8.8958 9.6507 9.6507 9.8302 9.8302 10.0834 10.0834 10.7505 10.7505 11.2400 11.2400 11.6507 11.6507 12.4328 12.4328 12.6298 12.6298 12.8757 12.8757 13.4283 13.4283 14.2015 14.2015 15.1411 15.1411 16.9840 16.9840 17.2359 17.2359 18.0290 18.0290 18.7091 18.7091 k =-0.0733 0.1291 1.0125 ( 4060 PWs) bands (ev): -41.3783 -41.3783 -18.0782 -18.0782 -17.4376 -17.4376 -17.4109 -17.4109 8.9126 8.9126 9.6528 9.6528 9.8283 9.8283 10.0747 10.0747 10.7327 10.7327 11.2388 11.2388 11.6390 11.6390 12.3799 12.3799 12.6321 12.6321 12.8699 12.8699 13.4222 13.4222 14.1516 14.1516 15.2042 15.2042 16.9873 16.9873 17.2398 17.2398 18.0411 18.0411 18.7434 18.7434 k =-0.0806 0.1420 1.0125 ( 4068 PWs) bands (ev): -41.3784 -41.3784 -18.0778 -18.0778 -17.4369 -17.4369 -17.4108 -17.4108 8.9307 8.9307 9.6550 9.6550 9.8261 9.8261 10.0649 10.0649 10.7141 10.7141 11.2358 11.2358 11.6265 11.6265 12.3258 12.3258 12.6343 12.6343 12.8642 12.8642 13.4155 13.4155 14.1014 14.1014 15.2700 15.2700 16.9910 16.9910 17.2442 17.2442 18.0548 18.0548 18.7722 18.7722 k =-0.0806 0.1420 1.0125 ( 4068 PWs) bands (ev): -41.3784 -41.3784 -18.0778 -18.0778 -17.4369 -17.4369 -17.4108 -17.4108 8.9307 8.9307 9.6550 9.6550 9.8261 9.8261 10.0649 10.0649 10.7141 10.7141 11.2358 11.2358 11.6265 11.6265 12.3258 12.3258 12.6343 12.6343 12.8642 12.8642 13.4155 13.4155 14.1014 14.1014 15.2700 15.2700 16.9910 16.9910 17.2442 17.2442 18.0548 18.0548 18.7722 18.7722 k =-0.0860 0.1514 1.0016 ( 4071 PWs) bands (ev): -41.3785 -41.3785 -18.0775 -18.0775 -17.4363 -17.4363 -17.4107 -17.4107 8.9447 8.9447 9.6562 9.6562 9.8244 9.8244 10.0569 10.0569 10.6991 10.6991 11.2329 11.2329 11.6170 11.6170 12.2845 12.2845 12.6364 12.6364 12.8598 12.8598 13.4102 13.4102 14.0663 14.0663 15.3167 15.3167 16.9941 16.9941 17.2471 17.2471 18.0646 18.0646 18.7893 18.7893 k =-0.0914 0.1609 0.9907 ( 4071 PWs) bands (ev): -41.3786 -41.3786 -18.0771 -18.0771 -17.4357 -17.4357 -17.4106 -17.4106 8.9592 8.9592 9.6563 9.6563 9.8226 9.8226 10.0481 10.0481 10.6820 10.6820 11.2299 11.2299 11.6080 11.6080 12.2412 12.2412 12.6395 12.6395 12.8550 12.8550 13.4052 13.4052 14.0344 14.0344 15.3582 15.3582 16.9977 16.9977 17.2493 17.2493 18.0731 18.0731 18.8026 18.8026 k =-0.0968 0.1704 0.9798 ( 4065 PWs) bands (ev): -41.3787 -41.3787 -18.0767 -18.0767 -17.4351 -17.4351 -17.4104 -17.4104 8.9743 8.9743 9.6553 9.6553 9.8207 9.8207 10.0385 10.0385 10.6627 10.6627 11.2269 11.2269 11.5999 11.5999 12.1969 12.1969 12.6434 12.6434 12.8496 12.8496 13.4007 13.4007 14.0057 14.0057 15.3936 15.3936 17.0016 17.0016 17.2508 17.2508 18.0801 18.0801 18.8114 18.8114 k =-0.1021 0.1798 0.9689 ( 4071 PWs) bands (ev): -41.3788 -41.3788 -18.0763 -18.0763 -17.4344 -17.4344 -17.4102 -17.4102 8.9899 8.9899 9.6528 9.6528 9.8187 9.8187 10.0280 10.0280 10.6411 10.6411 11.2239 11.2239 11.5928 11.5928 12.1525 12.1525 12.6479 12.6479 12.8438 12.8438 13.3972 13.3972 13.9797 13.9797 15.4221 15.4221 17.0057 17.0057 17.2514 17.2514 18.0855 18.0855 18.8155 18.8155 k =-0.1075 0.1893 0.9581 ( 4071 PWs) bands (ev): -41.3789 -41.3789 -18.0758 -18.0758 -17.4337 -17.4337 -17.4100 -17.4100 9.0058 9.0058 9.6488 9.6488 9.8164 9.8164 10.0168 10.0168 10.6171 10.6171 11.2210 11.2210 11.5871 11.5871 12.1091 12.1091 12.6526 12.6526 12.8380 12.8380 13.3948 13.3948 13.9563 13.9563 15.4435 15.4435 17.0097 17.0097 17.2513 17.2513 18.0890 18.0890 18.8145 18.8145 k =-0.1129 0.1988 0.9472 ( 4071 PWs) bands (ev): -41.3790 -41.3790 -18.0754 -18.0754 -17.4330 -17.4330 -17.4097 -17.4097 9.0221 9.0221 9.6430 9.6430 9.8137 9.8137 10.0050 10.0050 10.5908 10.5908 11.2184 11.2184 11.5830 11.5830 12.0674 12.0674 12.6570 12.6570 12.8327 12.8327 13.3937 13.3937 13.9351 13.9351 15.4574 15.4574 17.0132 17.0132 17.2504 17.2504 18.0906 18.0906 18.8081 18.8081 k =-0.1183 0.2082 0.9363 ( 4067 PWs) bands (ev): -41.3792 -41.3792 -18.0749 -18.0749 -17.4323 -17.4323 -17.4093 -17.4093 9.0387 9.0387 9.6352 9.6352 9.8106 9.8106 9.9926 9.9926 10.5623 10.5623 11.2161 11.2161 11.5802 11.5802 12.0284 12.0284 12.6608 12.6608 12.8284 12.8284 13.3940 13.3940 13.9157 13.9157 15.4639 15.4639 17.0160 17.0160 17.2488 17.2488 18.0900 18.0900 18.7957 18.7957 k =-0.1236 0.2177 0.9254 ( 4057 PWs) bands (ev): -41.3793 -41.3793 -18.0743 -18.0743 -17.4316 -17.4316 -17.4089 -17.4089 9.0554 9.0554 9.6252 9.6252 9.8068 9.8068 9.9799 9.9799 10.5318 10.5318 11.2144 11.2144 11.5785 11.5785 11.9929 11.9929 12.6635 12.6635 12.8258 12.8258 13.3958 13.3958 13.8979 13.8979 15.4631 15.4631 17.0179 17.0179 17.2463 17.2463 18.0869 18.0869 18.7762 18.7762 k =-0.1290 0.2272 0.9145 ( 4055 PWs) bands (ev): -41.3795 -41.3795 -18.0738 -18.0738 -17.4309 -17.4309 -17.4084 -17.4084 9.0722 9.0722 9.6130 9.6130 9.8020 9.8020 9.9672 9.9672 10.4996 10.4996 11.2131 11.2131 11.5776 11.5776 11.9621 11.9621 12.6646 12.6646 12.8252 12.8252 13.3990 13.3990 13.8812 13.8812 15.4554 15.4554 17.0185 17.0185 17.2431 17.2431 18.0810 18.0810 18.7468 18.7468 k =-0.1344 0.2366 0.9036 ( 4055 PWs) bands (ev): -41.3796 -41.3796 -18.0732 -18.0732 -17.4303 -17.4303 -17.4078 -17.4078 9.0891 9.0891 9.5985 9.5985 9.7960 9.7960 9.9546 9.9546 10.4662 10.4662 11.2122 11.2122 11.5770 11.5770 11.9369 11.9369 12.6639 12.6639 12.8271 12.8271 13.4037 13.4037 13.8655 13.8655 15.4411 15.4411 17.0177 17.0177 17.2392 17.2392 18.0720 18.0720 18.7033 18.7033 k =-0.1398 0.2461 0.8927 ( 4056 PWs) bands (ev): -41.3798 -41.3798 -18.0727 -18.0727 -17.4297 -17.4297 -17.4071 -17.4071 9.1058 9.1058 9.5816 9.5816 9.7883 9.7883 9.9424 9.9424 10.4321 10.4321 11.2113 11.2113 11.5764 11.5764 11.9183 11.9183 12.6613 12.6613 12.8315 12.8315 13.4098 13.4098 13.8504 13.8504 15.4206 15.4206 17.0154 17.0154 17.2346 17.2346 18.0596 18.0596 18.6473 18.6473 k =-0.1451 0.2556 0.8818 ( 4058 PWs) bands (ev): -41.3799 -41.3799 -18.0721 -18.0721 -17.4292 -17.4292 -17.4063 -17.4063 9.1223 9.1223 9.5625 9.5625 9.7787 9.7787 9.9309 9.9309 10.3980 10.3980 11.2100 11.2100 11.5757 11.5757 11.9067 11.9067 12.6572 12.6572 12.8383 12.8383 13.4173 13.4173 13.8359 13.8359 15.3945 15.3945 17.0116 17.0116 17.2294 17.2294 18.0433 18.0433 18.5871 18.5871 k =-0.1505 0.2651 0.8710 ( 4062 PWs) bands (ev): -41.3801 -41.3801 -18.0715 -18.0715 -17.4287 -17.4287 -17.4055 -17.4055 9.1384 9.1384 9.5413 9.5413 9.7666 9.7666 9.9204 9.9204 10.3643 10.3643 11.2079 11.2079 11.5752 11.5752 11.9025 11.9025 12.6518 12.6518 12.8470 12.8470 13.4261 13.4261 13.8216 13.8216 15.3632 15.3632 17.0063 17.0063 17.2236 17.2236 18.0228 18.0228 18.5281 18.5281 k =-0.1559 0.2745 0.8601 ( 4062 PWs) bands (ev): -41.3803 -41.3803 -18.0709 -18.0709 -17.4283 -17.4283 -17.4046 -17.4046 9.1539 9.1539 9.5183 9.5183 9.7518 9.7518 9.9110 9.9110 10.3318 10.3318 11.2043 11.2043 11.5758 11.5758 11.9054 11.9054 12.6456 12.6456 12.8572 12.8572 13.4362 13.4362 13.8075 13.8075 15.3272 15.3272 16.9995 16.9995 17.2172 17.2172 17.9977 17.9977 18.4728 18.4728 k =-0.1613 0.2840 0.8492 ( 4060 PWs) bands (ev): -41.3804 -41.3804 -18.0704 -18.0704 -17.4279 -17.4279 -17.4035 -17.4035 9.1687 9.1687 9.4940 9.4940 9.7342 9.7342 9.9027 9.9027 10.3009 10.3009 11.1986 11.1986 11.5785 11.5785 11.9148 11.9148 12.6388 12.6388 12.8685 12.8685 13.4475 13.4475 13.7934 13.7934 15.2871 15.2871 16.9912 16.9912 17.2104 17.2104 17.9677 17.9677 18.4222 18.4222 k =-0.1667 0.2935 0.8383 ( 4062 PWs) bands (ev): -41.3806 -41.3806 -18.0698 -18.0698 -17.4276 -17.4276 -17.4025 -17.4025 9.1823 9.1823 9.4688 9.4688 9.7138 9.7138 9.8955 9.8955 10.2722 10.2722 11.1905 11.1905 11.5843 11.5843 11.9296 11.9296 12.6318 12.6318 12.8805 12.8805 13.4600 13.4600 13.7794 13.7794 15.2432 15.2432 16.9818 16.9818 17.2032 17.2032 17.9327 17.9327 18.3771 18.3771 k =-0.1720 0.3029 0.8274 ( 4060 PWs) bands (ev): -41.3808 -41.3808 -18.0692 -18.0692 -17.4274 -17.4274 -17.4013 -17.4013 9.1943 9.1943 9.4432 9.4432 9.6908 9.6908 9.8891 9.8891 10.2458 10.2458 11.1799 11.1799 11.5939 11.5939 11.9492 11.9492 12.6247 12.6247 12.8929 12.8929 13.4735 13.4735 13.7652 13.7652 15.1962 15.1962 16.9712 16.9712 17.1956 17.1956 17.8931 17.8931 18.3374 18.3374 k =-0.1774 0.3124 0.8165 ( 4064 PWs) bands (ev): -41.3809 -41.3809 -18.0686 -18.0686 -17.4272 -17.4272 -17.4002 -17.4002 9.2040 9.2040 9.4182 9.4182 9.6657 9.6657 9.8835 9.8835 10.2219 10.2219 11.1670 11.1670 11.6076 11.6076 11.9727 11.9727 12.6179 12.6179 12.9054 12.9054 13.4880 13.4880 13.7510 13.7510 15.1463 15.1463 16.9597 16.9597 17.1878 17.1878 17.8495 17.8495 18.3028 18.3028 k =-0.1828 0.3219 0.8056 ( 4070 PWs) bands (ev): -41.3811 -41.3811 -18.0681 -18.0681 -17.4271 -17.4271 -17.3989 -17.3989 9.2104 9.2104 9.3946 9.3946 9.6392 9.6392 9.8785 9.8785 10.2006 10.2006 11.1522 11.1522 11.6253 11.6253 11.9993 11.9993 12.6114 12.6114 12.9176 12.9176 13.5033 13.5033 13.7367 13.7367 15.0940 15.0940 16.9473 16.9473 17.1798 17.1798 17.8026 17.8026 18.2727 18.2727 k =-0.1882 0.3313 0.7947 ( 4071 PWs) bands (ev): -41.3812 -41.3812 -18.0675 -18.0675 -17.4270 -17.4270 -17.3977 -17.3977 9.2123 9.2123 9.3738 9.3738 9.6121 9.6121 9.8738 9.8738 10.1818 10.1818 11.1360 11.1360 11.6467 11.6467 12.0286 12.0286 12.6053 12.6053 12.9294 12.9294 13.5195 13.5195 13.7224 13.7224 15.0397 15.0397 16.9344 16.9344 17.1718 17.1718 17.7535 17.7535 18.2463 18.2463 k =-0.1935 0.3408 0.7839 ( 4069 PWs) bands (ev): -41.3814 -41.3814 -18.0670 -18.0670 -17.4269 -17.4269 -17.3965 -17.3965 9.2084 9.2084 9.3567 9.3567 9.5853 9.5853 9.8693 9.8693 10.1652 10.1652 11.1190 11.1190 11.6714 11.6714 12.0601 12.0601 12.5998 12.5998 12.9404 12.9404 13.5363 13.5363 13.7081 13.7081 14.9839 14.9839 16.9210 16.9210 17.1637 17.1637 17.7031 17.7031 18.2227 18.2227 k =-0.1989 0.3503 0.7730 ( 4064 PWs) bands (ev): -41.3816 -41.3816 -18.0665 -18.0665 -17.4268 -17.4268 -17.3952 -17.3952 9.1981 9.1981 9.3436 9.3436 9.5601 9.5601 9.8650 9.8650 10.1507 10.1507 11.1017 11.1017 11.6988 11.6988 12.0934 12.0934 12.5949 12.5949 12.9504 12.9504 13.5536 13.5536 13.6939 13.6939 14.9269 14.9269 16.9073 16.9073 17.1557 17.1557 17.6520 17.6520 18.2008 18.2008 k =-0.2043 0.3597 0.7621 ( 4060 PWs) bands (ev): -41.3817 -41.3817 -18.0660 -18.0660 -17.4268 -17.4268 -17.3940 -17.3940 9.1823 9.1823 9.3328 9.3328 9.5379 9.5379 9.8607 9.8607 10.1380 10.1380 11.0843 11.0843 11.7285 11.7285 12.1280 12.1280 12.5907 12.5907 12.9592 12.9592 13.5713 13.5713 13.6798 13.6798 14.8692 14.8692 16.8936 16.8936 17.1478 17.1478 17.6012 17.6012 18.1791 18.1791 k =-0.2097 0.3692 0.7512 ( 4060 PWs) bands (ev): -41.3819 -41.3819 -18.0655 -18.0655 -17.4268 -17.4268 -17.3927 -17.3927 9.1625 9.1625 9.3222 9.3222 9.5200 9.5200 9.8564 9.8564 10.1268 10.1268 11.0674 11.0674 11.7599 11.7599 12.1637 12.1637 12.5873 12.5873 12.9666 12.9666 13.5894 13.5894 13.6660 13.6660 14.8110 14.8110 16.8798 16.8798 17.1401 17.1401 17.5510 17.5510 18.1542 18.1542 k =-0.2150 0.3787 0.7403 ( 4066 PWs) bands (ev): -41.3820 -41.3820 -18.0650 -18.0650 -17.4268 -17.4268 -17.3915 -17.3915 9.1406 9.1406 9.3095 9.3095 9.5073 9.5073 9.8520 9.8520 10.1171 10.1171 11.0510 11.0510 11.7924 11.7924 12.2002 12.2002 12.5848 12.5848 12.9722 12.9722 13.6075 13.6075 13.6526 13.6526 14.7529 14.7529 16.8663 16.8663 17.1328 17.1328 17.5021 17.5021 18.1227 18.1227 k =-0.2204 0.3881 0.7294 ( 4076 PWs) bands (ev): -41.3821 -41.3821 -18.0646 -18.0646 -17.4269 -17.4269 -17.3904 -17.3904 9.1179 9.1179 9.2940 9.2940 9.5000 9.5000 9.8476 9.8476 10.1085 10.1085 11.0355 11.0355 11.8256 11.8256 12.2371 12.2371 12.5833 12.5833 12.9759 12.9759 13.6253 13.6253 13.6401 13.6401 14.6953 14.6953 16.8531 16.8531 17.1257 17.1257 17.4548 17.4548 18.0860 18.0861 k =-0.2258 0.3976 0.7185 ( 4070 PWs) bands (ev): -41.3822 -41.3822 -18.0642 -18.0642 -17.4269 -17.4269 -17.3893 -17.3893 9.0951 9.0951 9.2759 9.2759 9.4975 9.4975 9.8431 9.8431 10.1010 10.1010 11.0209 11.0209 11.8591 11.8591 12.2742 12.2742 12.5828 12.5828 12.9775 12.9775 13.6266 13.6266 13.6446 13.6446 14.6386 14.6386 16.8403 16.8403 17.1192 17.1192 17.4096 17.4096 18.0477 18.0477 k =-0.2312 0.4071 0.7076 ( 4071 PWs) bands (ev): -41.3824 -41.3824 -18.0638 -18.0638 -17.4269 -17.4269 -17.3882 -17.3882 9.0730 9.0730 9.2560 9.2560 9.4985 9.4985 9.8385 9.8385 10.0944 10.0944 11.0075 11.0075 11.8922 11.8922 12.3111 12.3111 12.5836 12.5836 12.9769 12.9769 13.6153 13.6153 13.6621 13.6621 14.5832 14.5832 16.8282 16.8282 17.1131 17.1131 17.3667 17.3667 18.0100 18.0100 k =-0.2366 0.4165 0.6968 ( 4073 PWs) bands (ev): -41.3825 -41.3825 -18.0635 -18.0635 -17.4270 -17.4270 -17.3873 -17.3873 9.0519 9.0519 9.2355 9.2355 9.5019 9.5019 9.8340 9.8340 10.0886 10.0886 10.9951 10.9951 11.9244 11.9244 12.3475 12.3475 12.5857 12.5857 12.9738 12.9738 13.6046 13.6046 13.6795 13.6795 14.5296 14.5296 16.8167 16.8167 17.1075 17.1075 17.3265 17.3265 17.9738 17.9738 k =-0.2419 0.4260 0.6859 ( 4079 PWs) bands (ev): -41.3826 -41.3826 -18.0632 -18.0632 -17.4270 -17.4270 -17.3864 -17.3864 9.0322 9.0322 9.2152 9.2152 9.5068 9.5068 9.8295 9.8295 10.0835 10.0835 10.9839 10.9839 11.9553 11.9553 12.3829 12.3829 12.5894 12.5894 12.9683 12.9683 13.5948 13.5948 13.6962 13.6962 14.4784 14.4784 16.8061 16.8061 17.1025 17.1025 17.2892 17.2892 17.9397 17.9397 k =-0.2473 0.4355 0.6750 ( 4077 PWs) bands (ev): -41.3827 -41.3827 -18.0629 -18.0629 -17.4271 -17.4271 -17.3855 -17.3855 9.0140 9.0140 9.1959 9.1959 9.5124 9.5124 9.8251 9.8251 10.0791 10.0791 10.9739 10.9739 11.9844 11.9844 12.4167 12.4167 12.5948 12.5948 12.9604 12.9604 13.5860 13.5860 13.7122 13.7122 14.4300 14.4300 16.7963 16.7963 17.0981 17.0981 17.2550 17.2550 17.9081 17.9081 k =-0.2527 0.4449 0.6641 ( 4079 PWs) bands (ev): -41.3827 -41.3827 -18.0626 -18.0626 -17.4271 -17.4271 -17.3848 -17.3848 8.9977 8.9977 9.1780 9.1780 9.5184 9.5184 9.8209 9.8209 10.0753 10.0753 10.9652 10.9652 12.0111 12.0111 12.4483 12.4483 12.6023 12.6023 12.9503 12.9503 13.5781 13.5781 13.7272 13.7272 14.3850 14.3850 16.7875 16.7875 17.0943 17.0943 17.2242 17.2242 17.8795 17.8795 k =-0.2581 0.4544 0.6532 ( 4075 PWs) bands (ev): -41.3828 -41.3828 -18.0624 -18.0624 -17.4272 -17.4272 -17.3841 -17.3841 8.9833 8.9833 9.1619 9.1619 9.5242 9.5242 9.8170 9.8170 10.0720 10.0720 10.9576 10.9576 12.0350 12.0350 12.4767 12.4767 12.6121 12.6121 12.9380 12.9380 13.5713 13.5713 13.7411 13.7411 14.3441 14.3441 16.7798 16.7798 17.0911 17.0911 17.1971 17.1971 17.8541 17.8541 k =-0.2634 0.4639 0.6423 ( 4080 PWs) bands (ev): -41.3829 -41.3829 -18.0622 -18.0622 -17.4272 -17.4272 -17.3836 -17.3836 8.9710 8.9710 9.1480 9.1480 9.5295 9.5295 9.8135 9.8135 10.0693 10.0693 10.9512 10.9512 12.0558 12.0558 12.5010 12.5010 12.6245 12.6245 12.9242 12.9242 13.5656 13.5656 13.7536 13.7536 14.3078 14.3078 16.7731 16.7731 17.0885 17.0885 17.1737 17.1737 17.8321 17.8321 k =-0.2688 0.4733 0.6314 ( 4076 PWs) bands (ev): -41.3829 -41.3829 -18.0620 -18.0620 -17.4272 -17.4272 -17.3831 -17.3831 8.9607 8.9607 9.1363 9.1363 9.5342 9.5342 9.8104 9.8104 10.0671 10.0671 10.9460 10.9460 12.0732 12.0732 12.5206 12.5206 12.6392 12.6392 12.9093 12.9093 13.5609 13.5609 13.7644 13.7644 14.2768 14.2768 16.7676 16.7676 17.0865 17.0865 17.1542 17.1542 17.8137 17.8137 k =-0.2742 0.4828 0.6205 ( 4070 PWs) bands (ev): -41.3830 -41.3830 -18.0619 -18.0619 -17.4273 -17.4273 -17.3827 -17.3827 8.9527 8.9527 9.1271 9.1271 9.5381 9.5381 9.8079 9.8079 10.0655 10.0655 10.9420 10.9420 12.0869 12.0869 12.5351 12.5351 12.6551 12.6551 12.8945 12.8945 13.5572 13.5572 13.7734 13.7734 14.2518 14.2518 16.7633 16.7633 17.0851 17.0851 17.1388 17.1388 17.7993 17.7993 k =-0.2796 0.4923 0.6097 ( 4069 PWs) bands (ev): -41.3830 -41.3830 -18.0618 -18.0618 -17.4273 -17.4273 -17.3825 -17.3825 8.9469 8.9469 9.1205 9.1205 9.5410 9.5410 9.8060 9.8060 10.0643 10.0643 10.9391 10.9391 12.0968 12.0968 12.5450 12.5450 12.6699 12.6699 12.8813 12.8813 13.5546 13.5546 13.7800 13.7800 14.2334 14.2334 16.7602 16.7602 17.0842 17.0842 17.1276 17.1276 17.7888 17.7888 k =-0.2849 0.5017 0.5988 ( 4071 PWs) bands (ev): -41.3830 -41.3830 -18.0618 -18.0618 -17.4273 -17.4273 -17.3823 -17.3823 8.9435 8.9435 9.1165 9.1165 9.5427 9.5427 9.8049 9.8049 10.0635 10.0635 10.9374 10.9374 12.1028 12.1028 12.5506 12.5506 12.6807 12.6807 12.8718 12.8718 13.5530 13.5530 13.7842 13.7842 14.2221 14.2221 16.7584 16.7584 17.0838 17.0838 17.1208 17.1208 17.7825 17.7825 k =-0.2903 0.5112 0.5879 ( 4069 PWs) bands (ev): -41.3830 -41.3830 -18.0618 -18.0618 -17.4273 -17.4273 -17.3823 -17.3823 8.9423 8.9423 9.1151 9.1151 9.5433 9.5433 9.8045 9.8045 10.0633 10.0633 10.9368 10.9368 12.1047 12.1047 12.5525 12.5525 12.6847 12.6847 12.8683 12.8683 13.5524 13.5524 13.7856 13.7856 14.2183 14.2183 16.7577 16.7577 17.0837 17.0837 17.1185 17.1185 17.7804 17.7804 k =-0.2903 0.5112 0.5879 ( 4069 PWs) bands (ev): -41.3830 -41.3830 -18.0618 -18.0618 -17.4273 -17.4273 -17.3823 -17.3823 8.9423 8.9423 9.1151 9.1151 9.5433 9.5433 9.8045 9.8045 10.0633 10.0633 10.9368 10.9368 12.1047 12.1047 12.5525 12.5525 12.6847 12.6847 12.8683 12.8683 13.5524 13.5524 13.7856 13.7856 14.2183 14.2183 16.7577 16.7577 17.0837 17.0837 17.1185 17.1185 17.7804 17.7804 k =-0.2849 0.5017 0.5770 ( 4067 PWs) bands (ev): -41.3829 -41.3829 -18.0621 -18.0621 -17.4279 -17.4279 -17.3822 -17.3822 8.9384 8.9384 9.1283 9.1283 9.5469 9.5469 9.8090 9.8090 10.0662 10.0662 10.9662 10.9662 12.0767 12.0767 12.5446 12.5446 12.6447 12.6447 12.8964 12.8964 13.5835 13.5835 13.8186 13.8186 14.1865 14.1865 16.7350 16.7350 17.0976 17.0976 17.1423 17.1423 17.7939 17.7939 k =-0.2796 0.4923 0.5661 ( 4071 PWs) bands (ev): -41.3829 -41.3829 -18.0624 -18.0624 -17.4285 -17.4285 -17.3821 -17.3821 8.9346 8.9346 9.1414 9.1414 9.5492 9.5492 9.8138 9.8138 10.0684 10.0684 10.9951 10.9951 12.0467 12.0467 12.5263 12.5263 12.6052 12.6052 12.9259 12.9259 13.6022 13.6022 13.8136 13.8136 14.2183 14.2183 16.7121 16.7121 17.1151 17.1151 17.1674 17.1674 17.8067 17.8067 k =-0.2742 0.4828 0.5552 ( 4077 PWs) bands (ev): -41.3828 -41.3828 -18.0626 -18.0626 -17.4289 -17.4289 -17.3821 -17.3821 8.9308 8.9308 9.1543 9.1543 9.5503 9.5503 9.8189 9.8189 10.0699 10.0699 11.0232 11.0232 12.0154 12.0154 12.4986 12.4986 12.5677 12.5677 12.9537 12.9537 13.5867 13.5867 13.8144 13.8144 14.2914 14.2914 16.6893 16.6893 17.1367 17.1367 17.1937 17.1937 17.8187 17.8187 k =-0.2688 0.4733 0.5443 ( 4077 PWs) bands (ev): -41.3828 -41.3828 -18.0628 -18.0628 -17.4293 -17.4293 -17.3820 -17.3820 8.9268 8.9268 9.1671 9.1671 9.5500 9.5500 9.8243 9.8243 10.0707 10.0707 11.0503 11.0503 11.9832 11.9832 12.4623 12.4623 12.5334 12.5334 12.9780 12.9780 13.5331 13.5331 13.8480 13.8480 14.3822 14.3822 16.6666 16.6666 17.1626 17.1626 17.2211 17.2211 17.8298 17.8298 k =-0.2634 0.4639 0.5334 ( 4073 PWs) bands (ev): -41.3827 -41.3827 -18.0630 -18.0630 -17.4296 -17.4296 -17.3820 -17.3820 8.9221 8.9221 9.1799 9.1799 9.5484 9.5484 9.8301 9.8301 10.0709 10.0709 11.0762 11.0762 11.9504 11.9504 12.4196 12.4196 12.5016 12.5016 12.9979 12.9979 13.4621 13.4621 13.9036 13.9036 14.4797 14.4797 16.6444 16.6444 17.1930 17.1930 17.2494 17.2494 17.8398 17.8398 k =-0.2581 0.4544 0.5226 ( 4077 PWs) bands (ev): -41.3827 -41.3827 -18.0630 -18.0630 -17.4298 -17.4298 -17.3819 -17.3819 8.9165 8.9165 9.1927 9.1927 9.5454 9.5454 9.8361 9.8361 10.0707 10.0707 11.1007 11.1007 11.9176 11.9176 12.3727 12.3727 12.4709 12.4709 13.0128 13.0128 13.3873 13.3873 13.9708 13.9708 14.5792 14.5792 16.6227 16.6227 17.2280 17.2280 17.2789 17.2789 17.8485 17.8485 k =-0.2527 0.4449 0.5117 ( 4077 PWs) bands (ev): -41.3827 -41.3827 -18.0631 -18.0631 -17.4298 -17.4298 -17.3819 -17.3819 8.9093 8.9093 9.2056 9.2056 9.5412 9.5412 9.8424 9.8424 10.0704 10.0704 11.1236 11.1236 11.8853 11.8853 12.3233 12.3233 12.4406 12.4406 13.0225 13.0225 13.3147 13.3147 14.0448 14.0448 14.6780 14.6780 16.6019 16.6019 17.2669 17.2669 17.3104 17.3104 17.8558 17.8558 k =-0.2473 0.4355 0.5008 ( 4073 PWs) bands (ev): -41.3827 -41.3827 -18.0631 -18.0631 -17.4298 -17.4298 -17.3819 -17.3819 8.9001 8.9001 9.2185 9.2185 9.5358 9.5358 9.8489 9.8489 10.0702 10.0702 11.1446 11.1446 11.8542 11.8542 12.2723 12.2723 12.4103 12.4103 13.0262 13.0262 13.2475 13.2475 14.1230 14.1230 14.7744 14.7744 16.5822 16.5822 17.3072 17.3072 17.3467 17.3467 17.8616 17.8616 k =-0.2419 0.4260 0.4899 ( 4069 PWs) bands (ev): -41.3827 -41.3827 -18.0630 -18.0630 -17.4297 -17.4297 -17.3819 -17.3819 8.8881 8.8881 9.2317 9.2317 9.5296 9.5296 9.8556 9.8556 10.0705 10.0705 11.1635 11.1635 11.8249 11.8249 12.2202 12.2202 12.3801 12.3801 13.0221 13.0221 13.1886 13.1886 14.2038 14.2038 14.8671 14.8671 16.5638 16.5638 17.3442 17.3442 17.3929 17.3929 17.8657 17.8657 k =-0.2366 0.4165 0.4790 ( 4063 PWs) bands (ev): -41.3828 -41.3828 -18.0629 -18.0629 -17.4295 -17.4295 -17.3819 -17.3819 8.8726 8.8726 9.2451 9.2451 9.5229 9.5229 9.8625 9.8625 10.0717 10.0717 11.1800 11.1800 11.7977 11.7977 12.1676 12.1676 12.3500 12.3500 13.0064 13.0064 13.1426 13.1426 14.2858 14.2858 14.9549 14.9549 16.5472 16.5472 17.3764 17.3764 17.4502 17.4502 17.8681 17.8681 k =-0.2312 0.4071 0.4681 ( 4063 PWs) bands (ev): -41.3828 -41.3828 -18.0628 -18.0628 -17.4292 -17.4292 -17.3819 -17.3819 8.8529 8.8529 9.2588 9.2588 9.5162 9.5162 9.8694 9.8694 10.0740 10.0740 11.1940 11.1940 11.7734 11.7734 12.1149 12.1149 12.3202 12.3202 12.9762 12.9762 13.1126 13.1126 14.3680 14.3680 15.0367 15.0367 16.5326 16.5326 17.4060 17.4060 17.5170 17.5170 17.8685 17.8685 k =-0.2258 0.3976 0.4572 ( 4071 PWs) bands (ev): -41.3829 -41.3829 -18.0626 -18.0626 -17.4288 -17.4288 -17.3819 -17.3819 8.8281 8.8281 9.2727 9.2727 9.5101 9.5101 9.8765 9.8765 10.0776 10.0776 11.2052 11.2052 11.7520 11.7520 12.0624 12.0624 12.2909 12.2909 12.9350 12.9350 13.0953 13.0953 14.4494 14.4494 15.1117 15.1117 16.5204 16.5204 17.4340 17.4340 17.5920 17.5920 17.8669 17.8669 k =-0.2204 0.3881 0.4464 ( 4071 PWs) bands (ev): -41.3829 -41.3829 -18.0624 -18.0624 -17.4283 -17.4283 -17.3819 -17.3819 8.7978 8.7978 9.2870 9.2870 9.5053 9.5053 9.8838 9.8838 10.0827 10.0827 11.2135 11.2135 11.7336 11.7336 12.0108 12.0108 12.2620 12.2620 12.8893 12.8893 13.0842 13.0842 14.5296 14.5296 15.1789 15.1789 16.5107 16.5107 17.4609 17.4609 17.6749 17.6749 17.8632 17.8632 k =-0.2150 0.3787 0.4355 ( 4067 PWs) bands (ev): -41.3830 -41.3830 -18.0621 -18.0621 -17.4277 -17.4277 -17.3820 -17.3820 8.7613 8.7613 9.3016 9.3016 9.5024 9.5024 9.8912 9.8912 10.0893 10.0893 11.2188 11.2188 11.7177 11.7177 11.9609 11.9609 12.2339 12.2339 12.8427 12.8427 13.0755 13.0755 14.6078 14.6078 15.2378 15.2378 16.5038 16.5038 17.4868 17.4868 17.7650 17.7650 17.8579 17.8579 k =-0.2097 0.3692 0.4246 ( 4063 PWs) bands (ev): -41.3831 -41.3831 -18.0617 -18.0617 -17.4270 -17.4270 -17.3820 -17.3820 8.7187 8.7187 9.3165 9.3165 9.5020 9.5020 9.8988 9.8988 10.0974 10.0974 11.2211 11.2211 11.7033 11.7033 11.9141 11.9141 12.2065 12.2065 12.7970 12.7970 13.0676 13.0676 14.6836 14.6836 15.2879 15.2879 16.4997 16.4997 17.5116 17.5116 17.8415 17.8415 17.8717 17.8717 k =-0.2043 0.3597 0.4137 ( 4067 PWs) bands (ev): -41.3832 -41.3832 -18.0614 -18.0614 -17.4263 -17.4263 -17.3820 -17.3820 8.6700 8.6700 9.3316 9.3316 9.5042 9.5042 9.9067 9.9067 10.1068 10.1068 11.2206 11.2206 11.6880 11.6880 11.8726 11.8726 12.1799 12.1799 12.7527 12.7527 13.0597 13.0597 14.7569 14.7569 15.3290 15.3290 16.4984 16.4984 17.5352 17.5352 17.8358 17.8358 17.9729 17.9729 k =-0.1989 0.3503 0.4028 ( 4063 PWs) bands (ev): -41.3833 -41.3833 -18.0610 -18.0610 -17.4254 -17.4254 -17.3821 -17.3821 8.6155 8.6155 9.3469 9.3469 9.5095 9.5095 9.9148 9.9148 10.1173 10.1173 11.2175 11.2175 11.6687 11.6687 11.8396 11.8396 12.1542 12.1542 12.7099 12.7099 13.0516 13.0516 14.8273 14.8273 15.3612 15.3612 16.4997 16.4997 17.5576 17.5576 17.8231 17.8231 18.0862 18.0862 k =-0.1935 0.3408 0.3919 ( 4063 PWs) bands (ev): -41.3834 -41.3834 -18.0605 -18.0605 -17.4245 -17.4245 -17.3821 -17.3821 8.5557 8.5557 9.3622 9.3622 9.5177 9.5177 9.9233 9.9233 10.1288 10.1288 11.2122 11.2122 11.6424 11.6424 11.8180 11.8180 12.1294 12.1294 12.6686 12.6686 13.0433 13.0433 14.8949 14.8949 15.3849 15.3849 16.5031 16.5031 17.5785 17.5785 17.8077 17.8077 18.2069 18.2069 k =-0.1882 0.3313 0.3810 ( 4059 PWs) bands (ev): -41.3836 -41.3836 -18.0600 -18.0600 -17.4235 -17.4235 -17.3822 -17.3822 8.4913 8.4913 9.3775 9.3775 9.5289 9.5289 9.9320 9.9320 10.1408 10.1408 11.2049 11.2049 11.6087 11.6087 11.8078 11.8078 12.1057 12.1057 12.6288 12.6288 13.0348 13.0348 14.9595 14.9595 15.4007 15.4007 16.5083 16.5083 17.5976 17.5976 17.7901 17.7901 18.3345 18.3345 k =-0.1828 0.3219 0.3701 ( 4047 PWs) bands (ev): -41.3837 -41.3837 -18.0595 -18.0595 -17.4225 -17.4225 -17.3823 -17.3823 8.4231 8.4231 9.3927 9.3927 9.5428 9.5428 9.9410 9.9410 10.1533 10.1533 11.1959 11.1959 11.5701 11.5701 11.8064 11.8064 12.0829 12.0829 12.5905 12.5905 13.0260 13.0260 15.0212 15.0212 15.4096 15.4096 16.5146 16.5146 17.6145 17.6145 17.7708 17.7708 18.4682 18.4682 k =-0.1774 0.3124 0.3593 ( 4047 PWs) bands (ev): -41.3839 -41.3839 -18.0590 -18.0590 -17.4214 -17.4214 -17.3823 -17.3823 8.3516 8.3516 9.4077 9.4077 9.5593 9.5593 9.9503 9.9503 10.1659 10.1659 11.1855 11.1855 11.5295 11.5295 11.8109 11.8109 12.0611 12.0611 12.5535 12.5535 13.0171 13.0171 15.0798 15.0798 15.4126 15.4126 16.5216 16.5216 17.6281 17.6281 17.7508 17.7508 18.6076 18.6076 k =-0.1720 0.3029 0.3484 ( 4047 PWs) bands (ev): -41.3840 -41.3840 -18.0584 -18.0584 -17.4202 -17.4202 -17.3824 -17.3824 8.2777 8.2777 9.4224 9.4224 9.5781 9.5781 9.9597 9.9597 10.1782 10.1782 11.1737 11.1737 11.4890 11.4890 11.8191 11.8191 12.0405 12.0405 12.5179 12.5179 13.0081 13.0081 15.1351 15.1351 15.4110 15.4110 16.5288 16.5288 17.6360 17.6360 17.7324 17.7324 18.7516 18.7516 k =-0.1667 0.2935 0.3375 ( 4043 PWs) bands (ev): -41.3842 -41.3842 -18.0578 -18.0578 -17.4190 -17.4190 -17.3824 -17.3824 8.2020 8.2020 9.4369 9.4369 9.5989 9.5989 9.9693 9.9693 10.1901 10.1901 11.1606 11.1606 11.4502 11.4502 11.8295 11.8295 12.0210 12.0210 12.4836 12.4836 12.9992 12.9992 15.1861 15.1861 15.4067 15.4067 16.5359 16.5359 17.6334 17.6334 17.7204 17.7204 18.8993 18.8993 k =-0.1613 0.2840 0.3266 ( 4047 PWs) bands (ev): -41.3843 -41.3843 -18.0572 -18.0572 -17.4177 -17.4177 -17.3824 -17.3824 8.1250 8.1250 9.4512 9.4512 9.6214 9.6214 9.9789 9.9789 10.2012 10.2012 11.1463 11.1463 11.4141 11.4141 11.8411 11.8411 12.0027 12.0027 12.4506 12.4506 12.9904 12.9904 15.2308 15.2308 15.4030 15.4030 16.5424 16.5424 17.6171 17.6171 17.7182 17.7182 19.0493 19.0493 k =-0.1559 0.2745 0.3157 ( 4041 PWs) bands (ev): -41.3845 -41.3845 -18.0566 -18.0566 -17.4164 -17.4164 -17.3824 -17.3824 8.0474 8.0474 9.4652 9.4652 9.6453 9.6453 9.9886 9.9886 10.2111 10.2111 11.1309 11.1309 11.3817 11.3817 11.8530 11.8530 11.9858 11.9858 12.4189 12.4189 12.9818 12.9818 15.2639 15.2639 15.4060 15.4060 16.5482 16.5482 17.5902 17.5902 17.7227 17.7227 19.1998 19.1998 k =-0.1505 0.2651 0.3048 ( 4035 PWs) bands (ev): -41.3847 -41.3847 -18.0559 -18.0559 -17.4151 -17.4151 -17.3825 -17.3825 7.9695 7.9695 9.4789 9.4789 9.6702 9.6702 9.9982 9.9982 10.2196 10.2196 11.1145 11.1145 11.3536 11.3536 11.8640 11.8640 11.9708 11.9708 12.3887 12.3887 12.9736 12.9736 15.2783 15.2783 15.4236 15.4236 16.5532 16.5532 17.5568 17.5568 17.7298 17.7298 19.3486 19.3486 k =-0.1452 0.2556 0.2939 ( 4031 PWs) bands (ev): -41.3849 -41.3849 -18.0553 -18.0553 -17.4138 -17.4138 -17.3824 -17.3824 7.8919 7.8919 9.4923 9.4923 9.6960 9.6960 10.0077 10.0077 10.2263 10.2263 11.0975 11.0975 11.3300 11.3300 11.8731 11.8731 11.9581 11.9581 12.3600 12.3600 12.9659 12.9659 15.2743 15.2743 15.4562 15.4562 16.5573 16.5573 17.5192 17.5192 17.7374 17.7374 19.4923 19.4923 k =-0.1398 0.2461 0.2831 ( 4033 PWs) bands (ev): -41.3851 -41.3851 -18.0546 -18.0546 -17.4124 -17.4124 -17.3824 -17.3824 7.8149 7.8149 9.5054 9.5054 9.7222 9.7222 10.0170 10.0170 10.2311 10.2311 11.0805 11.0805 11.3110 11.3110 11.8787 11.8787 11.9488 11.9488 12.3329 12.3329 12.9587 12.9587 15.2593 15.2593 15.4971 15.4971 16.5605 16.5605 17.4786 17.4786 17.7446 17.7446 19.6266 19.6266 k =-0.1344 0.2367 0.2722 ( 4039 PWs) bands (ev): -41.3852 -41.3852 -18.0539 -18.0539 -17.4111 -17.4111 -17.3823 -17.3823 7.7389 7.7389 9.5182 9.5182 9.7486 9.7486 10.0259 10.0259 10.2337 10.2337 11.0644 11.0644 11.2964 11.2964 11.8791 11.8791 11.9441 11.9441 12.3077 12.3077 12.9524 12.9524 15.2385 15.2385 15.5417 15.5417 16.5628 16.5628 17.4354 17.4354 17.7509 17.7509 19.7458 19.7458 k =-0.1290 0.2272 0.2613 ( 4039 PWs) bands (ev): -41.3854 -41.3854 -18.0533 -18.0533 -17.4098 -17.4098 -17.3822 -17.3822 7.6642 7.6642 9.5305 9.5305 9.7748 9.7748 10.0344 10.0344 10.2341 10.2341 11.0498 11.0498 11.2859 11.2859 11.8743 11.8743 11.9434 11.9434 12.2845 12.2845 12.9469 12.9469 15.2145 15.2145 15.5878 15.5878 16.5644 16.5644 17.3900 17.3900 17.7563 17.7563 19.8430 19.8430 k =-0.1237 0.2177 0.2504 ( 4031 PWs) bands (ev): -41.3856 -41.3856 -18.0526 -18.0526 -17.4085 -17.4085 -17.3821 -17.3821 7.5910 7.5910 9.5423 9.5423 9.8007 9.8007 10.0424 10.0424 10.2324 10.2324 11.0376 11.0376 11.2790 11.2790 11.8661 11.8661 11.9445 11.9445 12.2635 12.2635 12.9425 12.9425 15.1885 15.1885 15.6347 15.6347 16.5652 16.5652 17.3428 17.3428 17.7606 17.7606 19.9114 19.9114 k =-0.1183 0.2083 0.2395 ( 4041 PWs) bands (ev): -41.3858 -41.3858 -18.0519 -18.0519 -17.4073 -17.4073 -17.3819 -17.3819 7.5197 7.5197 9.5536 9.5536 9.8258 9.8258 10.0497 10.0497 10.2287 10.2287 11.0283 11.0283 11.2754 11.2754 11.8561 11.8561 11.9451 11.9451 12.2448 12.2448 12.9393 12.9393 15.1614 15.1614 15.6820 15.6820 16.5654 16.5654 17.2940 17.2940 17.7639 17.7639 19.9472 19.9472 k =-0.1129 0.1988 0.2286 ( 4045 PWs) bands (ev): -41.3860 -41.3860 -18.0513 -18.0513 -17.4061 -17.4061 -17.3817 -17.3817 7.4504 7.4504 9.5643 9.5643 9.8498 9.8498 10.0561 10.0561 10.2235 10.2235 11.0224 11.0224 11.2748 11.2748 11.8453 11.8453 11.9440 11.9440 12.2284 12.2284 12.9376 12.9376 15.1336 15.1336 15.7294 15.7294 16.5651 16.5651 17.2440 17.2440 17.7662 17.7662 19.9516 19.9516 k =-0.1075 0.1893 0.2177 ( 4049 PWs) bands (ev): -41.3862 -41.3862 -18.0506 -18.0506 -17.4049 -17.4049 -17.3814 -17.3814 7.3833 7.3833 9.5742 9.5742 9.8725 9.8725 10.0615 10.0615 10.2172 10.2172 11.0200 11.0200 11.2768 11.2768 11.8342 11.8342 11.9406 11.9406 12.2141 12.2141 12.9375 12.9375 15.1055 15.1055 15.7768 15.7768 16.5643 16.5643 17.1931 17.1931 17.7675 17.7675 19.9298 19.9298 k =-0.1021 0.1799 0.2068 ( 4053 PWs) bands (ev): -41.3864 -41.3864 -18.0500 -18.0500 -17.4039 -17.4039 -17.3810 -17.3810 7.3186 7.3186 9.5834 9.5834 9.8933 9.8933 10.0658 10.0658 10.2106 10.2106 11.0213 11.0213 11.2812 11.2812 11.8230 11.8230 11.9347 11.9347 12.2017 12.2017 12.9391 12.9391 15.0774 15.0774 15.8241 15.8241 16.5631 16.5631 17.1415 17.1415 17.7679 17.7679 19.8889 19.8889 k =-0.0968 0.1704 0.1960 ( 4053 PWs) bands (ev): -41.3865 -41.3865 -18.0494 -18.0494 -17.4029 -17.4029 -17.3806 -17.3806 7.2565 7.2565 9.5916 9.5916 9.9120 9.9120 10.0689 10.0689 10.2044 10.2044 11.0262 11.0262 11.2879 11.2879 11.8116 11.8116 11.9265 11.9265 12.1905 12.1905 12.9425 12.9425 15.0495 15.0495 15.8713 15.8713 16.5616 16.5616 17.0895 17.0895 17.7675 17.7675 19.8350 19.8350 k =-0.0914 0.1609 0.1851 ( 4059 PWs) bands (ev): -41.3867 -41.3867 -18.0488 -18.0488 -17.4020 -17.4020 -17.3802 -17.3802 7.1971 7.1971 9.5988 9.5988 9.9281 9.9281 10.0709 10.0709 10.1992 10.1992 11.0347 11.0347 11.2965 11.2965 11.8001 11.8001 11.9165 11.9165 12.1799 12.1799 12.9478 12.9478 15.0220 15.0220 15.9183 15.9183 16.5598 16.5598 17.0376 17.0376 17.7663 17.7663 19.7727 19.7727 k =-0.0860 0.1515 0.1742 ( 4055 PWs) bands (ev): -41.3869 -41.3869 -18.0483 -18.0483 -17.4012 -17.4012 -17.3797 -17.3797 7.1405 7.1405 9.6050 9.6050 9.9413 9.9413 10.0722 10.0722 10.1954 10.1954 11.0465 11.0465 11.3068 11.3068 11.7883 11.7883 11.9053 11.9053 12.1693 12.1693 12.9549 12.9549 14.9951 14.9951 15.9648 15.9648 16.5579 16.5579 16.9860 16.9860 17.7645 17.7645 19.7052 19.7052 k =-0.0806 0.1420 0.1633 ( 4053 PWs) bands (ev): -41.3870 -41.3870 -18.0477 -18.0477 -17.4005 -17.4005 -17.3791 -17.3791 7.0869 7.0869 9.6099 9.6099 9.9510 9.9510 10.0732 10.0732 10.1931 10.1931 11.0615 11.0615 11.3187 11.3187 11.7761 11.7761 11.8935 11.8935 12.1582 12.1582 12.9639 12.9639 14.9691 14.9691 16.0107 16.0107 16.5559 16.5559 16.9351 16.9351 17.7621 17.7621 19.6350 19.6350 k =-0.0753 0.1325 0.1524 ( 4045 PWs) bands (ev): -41.3872 -41.3872 -18.0472 -18.0472 -17.3999 -17.3999 -17.3785 -17.3785 7.0363 7.0363 9.6136 9.6136 9.9574 9.9574 10.0746 10.0746 10.1924 10.1924 11.0794 11.0794 11.3319 11.3319 11.7632 11.7632 11.8816 11.8816 12.1461 12.1461 12.9746 12.9746 14.9440 14.9440 16.0558 16.0558 16.5537 16.5537 16.8854 16.8854 17.7593 17.7593 19.5637 19.5637 k =-0.0699 0.1231 0.1415 ( 4043 PWs) bands (ev): -41.3873 -41.3873 -18.0467 -18.0467 -17.3993 -17.3993 -17.3779 -17.3779 6.9889 6.9889 9.6160 9.6160 9.9605 9.9605 10.0767 10.0767 10.1929 10.1929 11.1000 11.1000 11.3463 11.3463 11.7496 11.7496 11.8702 11.8702 12.1327 12.1327 12.9868 12.9868 14.9200 14.9200 16.0998 16.0998 16.5516 16.5516 16.8373 16.8373 17.7561 17.7561 19.4926 19.4926 k =-0.0645 0.1136 0.1306 ( 4041 PWs) bands (ev): -41.3875 -41.3875 -18.0462 -18.0462 -17.3988 -17.3988 -17.3773 -17.3773 6.9447 6.9447 9.6172 9.6172 9.9612 9.9612 10.0795 10.0795 10.1943 10.1943 11.1230 11.1230 11.3615 11.3615 11.7350 11.7350 11.8595 11.8595 12.1178 12.1178 13.0001 13.0001 14.8972 14.8972 16.1423 16.1423 16.5493 16.5493 16.7912 16.7912 17.7527 17.7527 19.4227 19.4227 k =-0.0591 0.1041 0.1198 ( 4049 PWs) bands (ev): -41.3876 -41.3876 -18.0458 -18.0458 -17.3984 -17.3984 -17.3766 -17.3766 6.9037 6.9037 9.6172 9.6172 9.9601 9.9601 10.0828 10.0828 10.1962 10.1962 11.1482 11.1482 11.3774 11.3774 11.7193 11.7193 11.8500 11.8500 12.1016 12.1016 13.0144 13.0144 14.8758 14.8758 16.1830 16.1830 16.5471 16.5471 16.7477 16.7477 17.7492 17.7492 19.3549 19.3549 k =-0.0538 0.0947 0.1089 ( 4059 PWs) bands (ev): -41.3877 -41.3877 -18.0454 -18.0454 -17.3981 -17.3981 -17.3760 -17.3760 6.8661 6.8661 9.6161 9.6161 9.9581 9.9581 10.0861 10.0861 10.1986 10.1986 11.1751 11.1751 11.3937 11.3937 11.7025 11.7025 11.8418 11.8418 12.0839 12.0839 13.0291 13.0291 14.8558 14.8558 16.2213 16.2213 16.5448 16.5448 16.7075 16.7075 17.7456 17.7456 19.2899 19.2899 k =-0.0484 0.0852 0.0980 ( 4059 PWs) bands (ev): -41.3878 -41.3878 -18.0451 -18.0451 -17.3978 -17.3978 -17.3754 -17.3754 6.8320 6.8320 9.6142 9.6142 9.9557 9.9557 10.0893 10.0893 10.2010 10.2010 11.2036 11.2036 11.4101 11.4101 11.6846 11.6846 11.8350 11.8350 12.0651 12.0651 13.0441 13.0441 14.8375 14.8375 16.2566 16.2566 16.5423 16.5423 16.6712 16.6712 17.7421 17.7421 19.2284 19.2284 k =-0.0430 0.0757 0.0871 ( 4055 PWs) bands (ev): -41.3879 -41.3879 -18.0447 -18.0447 -17.3976 -17.3976 -17.3748 -17.3748 6.8013 6.8013 9.6115 9.6115 9.9534 9.9534 10.0921 10.0921 10.2035 10.2035 11.2332 11.2332 11.4265 11.4265 11.6657 11.6657 11.8296 11.8296 12.0454 12.0454 13.0588 13.0588 14.8208 14.8208 16.2882 16.2882 16.5396 16.5396 16.6399 16.6399 17.7387 17.7387 19.1710 19.1710 k =-0.0376 0.0663 0.0762 ( 4063 PWs) bands (ev): -41.3880 -41.3880 -18.0444 -18.0444 -17.3974 -17.3974 -17.3742 -17.3742 6.7741 6.7741 9.6084 9.6084 9.9515 9.9515 10.0944 10.0944 10.2058 10.2058 11.2637 11.2637 11.4425 11.4425 11.6456 11.6456 11.8257 11.8257 12.0251 12.0251 13.0729 13.0729 14.8058 14.8058 16.3151 16.3151 16.5363 16.5363 16.6145 16.6145 17.7356 17.7356 19.1185 19.1185 k =-0.0323 0.0568 0.0653 ( 4063 PWs) bands (ev): -41.3881 -41.3881 -18.0442 -18.0442 -17.3973 -17.3973 -17.3737 -17.3737 6.7505 6.7505 9.6051 9.6051 9.9499 9.9499 10.0963 10.0963 10.2079 10.2079 11.2947 11.2947 11.4577 11.4577 11.6246 11.6246 11.8233 11.8233 12.0047 12.0047 13.0860 13.0860 14.7927 14.7927 16.3363 16.3363 16.5325 16.5325 16.5959 16.5959 17.7327 17.7327 19.0714 19.0714 k =-0.0269 0.0473 0.0544 ( 4063 PWs) bands (ev): -41.3882 -41.3882 -18.0440 -18.0440 -17.3971 -17.3971 -17.3733 -17.3733 6.7304 6.7304 9.6019 9.6019 9.9488 9.9488 10.0978 10.0978 10.2098 10.2098 11.3259 11.3259 11.4717 11.4717 11.6026 11.6026 11.8223 11.8223 11.9848 11.9848 13.0978 13.0978 14.7815 14.7815 16.3513 16.3513 16.5286 16.5286 16.5843 16.5843 17.7302 17.7302 19.0303 19.0303 k =-0.0215 0.0379 0.0435 ( 4057 PWs) bands (ev): -41.3882 -41.3882 -18.0438 -18.0438 -17.3971 -17.3971 -17.3729 -17.3729 6.7140 6.7140 9.5989 9.5989 9.9479 9.9479 10.0989 10.0989 10.2114 10.2114 11.3569 11.3569 11.4842 11.4842 11.5796 11.5796 11.8226 11.8226 11.9660 11.9660 13.1079 13.1079 14.7722 14.7722 16.3601 16.3601 16.5255 16.5255 16.5785 16.5785 17.7281 17.7281 18.9958 18.9958 k =-0.0161 0.0284 0.0327 ( 4061 PWs) bands (ev): -41.3883 -41.3883 -18.0436 -18.0436 -17.3970 -17.3970 -17.3727 -17.3727 6.7012 6.7012 9.5963 9.5963 9.9474 9.9474 10.0997 10.0997 10.2126 10.2126 11.3876 11.3876 11.4944 11.4944 11.5557 11.5557 11.8242 11.8242 11.9492 11.9492 13.1160 13.1160 14.7650 14.7650 16.3640 16.3640 16.5238 16.5238 16.5765 16.5765 17.7264 17.7264 18.9683 18.9683 k =-0.0108 0.0189 0.0218 ( 4067 PWs) bands (ev): -41.3883 -41.3883 -18.0435 -18.0435 -17.3969 -17.3969 -17.3725 -17.3725 6.6920 6.6920 9.5944 9.5944 9.9471 9.9471 10.1002 10.1002 10.2135 10.2135 11.4176 11.4176 11.5015 11.5015 11.5314 11.5314 11.8263 11.8263 11.9355 11.9355 13.1220 13.1220 14.7598 14.7598 16.3648 16.3648 16.5232 16.5232 16.5764 16.5764 17.7252 17.7252 18.9484 18.9484 k =-0.0054 0.0095 0.0109 ( 4075 PWs) bands (ev): -41.3883 -41.3883 -18.0435 -18.0435 -17.3969 -17.3969 -17.3723 -17.3723 6.6865 6.6865 9.5932 9.5932 9.9469 9.9469 10.1005 10.1005 10.2140 10.2140 11.4467 11.4467 11.4986 11.4986 11.5133 11.5133 11.8283 11.8283 11.9263 11.9263 13.1257 13.1257 14.7566 14.7566 16.3645 16.3645 16.5231 16.5231 16.5770 16.5770 17.7245 17.7245 18.9363 18.9363 k = 0.0000 0.0000 0.0000 ( 4095 PWs) bands (ev): -41.3883 -41.3883 -18.0435 -18.0435 -17.3969 -17.3969 -17.3723 -17.3723 6.6847 6.6847 9.5928 9.5928 9.9468 9.9468 10.1006 10.1006 10.2142 10.2142 11.4728 11.4728 11.4765 11.4765 11.5120 11.5120 11.8292 11.8292 11.9231 11.9231 13.1269 13.1269 14.7556 14.7556 16.3642 16.3642 16.5231 16.5231 16.5773 16.5773 17.7242 17.7242 18.9322 18.9322 k = 0.0000 0.0000 0.0000 ( 4095 PWs) bands (ev): -41.3883 -41.3883 -18.0435 -18.0435 -17.3969 -17.3969 -17.3723 -17.3723 6.6847 6.6847 9.5928 9.5928 9.9468 9.9468 10.1006 10.1006 10.2142 10.2142 11.4728 11.4728 11.4765 11.4765 11.5120 11.5120 11.8292 11.8292 11.9231 11.9231 13.1269 13.1269 14.7556 14.7556 16.3642 16.3642 16.5231 16.5231 16.5773 16.5773 17.7242 17.7242 18.9322 18.9322 k = 0.0135 0.0077-0.0000 ( 4063 PWs) bands (ev): -41.3883 -41.3883 -18.0435 -18.0435 -17.3969 -17.3969 -17.3723 -17.3723 6.6866 6.6866 9.5916 9.5916 9.9441 9.9441 10.1011 10.1011 10.2146 10.2146 11.4681 11.4681 11.4732 11.4732 11.5213 11.5213 11.8233 11.8233 11.9301 11.9301 13.1264 13.1264 14.7513 14.7513 16.3651 16.3651 16.5231 16.5231 16.5780 16.5780 17.7245 17.7245 18.9295 18.9295 k = 0.0270 0.0153-0.0000 ( 4063 PWs) bands (ev): -41.3883 -41.3883 -18.0435 -18.0435 -17.3969 -17.3969 -17.3723 -17.3723 6.6922 6.6922 9.5880 9.5880 9.9359 9.9359 10.1026 10.1026 10.2156 10.2156 11.4526 11.4526 11.4741 11.4741 11.5396 11.5396 11.8094 11.8094 11.9475 11.9475 13.1250 13.1250 14.7385 14.7385 16.3675 16.3675 16.5231 16.5231 16.5800 16.5800 17.7255 17.7255 18.9213 18.9213 k = 0.0405 0.0230-0.0000 ( 4051 PWs) bands (ev): -41.3883 -41.3883 -18.0435 -18.0435 -17.3970 -17.3970 -17.3723 -17.3723 6.7017 6.7017 9.5821 9.5821 9.9226 9.9226 10.1051 10.1051 10.2170 10.2170 11.4362 11.4362 11.4754 11.4754 11.5605 11.5605 11.7930 11.7930 11.9699 11.9699 13.1226 13.1226 14.7175 14.7175 16.3717 16.3717 16.5228 16.5228 16.5835 16.5835 17.7272 17.7272 18.9079 18.9079 k = 0.0541 0.0307-0.0000 ( 4043 PWs) bands (ev): -41.3883 -41.3883 -18.0435 -18.0435 -17.3970 -17.3970 -17.3723 -17.3723 6.7150 6.7150 9.5741 9.5741 9.9048 9.9048 10.1085 10.1085 10.2183 10.2183 11.4200 11.4200 11.4767 11.4767 11.5827 11.5827 11.7771 11.7771 11.9946 11.9946 13.1192 13.1192 14.6887 14.6887 16.3775 16.3775 16.5221 16.5221 16.5889 16.5889 17.7294 17.7294 18.8896 18.8896 k = 0.0676 0.0384 0.0000 ( 4043 PWs) bands (ev): -41.3883 -41.3883 -18.0435 -18.0435 -17.3971 -17.3971 -17.3722 -17.3722 6.7319 6.7319 9.5640 9.5640 9.8831 9.8831 10.1126 10.1126 10.2192 10.2192 11.4041 11.4041 11.4775 11.4775 11.6059 11.6059 11.7636 11.7636 12.0203 12.0203 13.1150 13.1150 14.6527 14.6527 16.3852 16.3852 16.5206 16.5206 16.5964 16.5964 17.7323 17.7323 18.8668 18.8668 k = 0.0811 0.0460-0.0000 ( 4039 PWs) bands (ev): -41.3883 -41.3883 -18.0435 -18.0435 -17.3971 -17.3971 -17.3722 -17.3722 6.7526 6.7526 9.5522 9.5522 9.8581 9.8581 10.1173 10.1173 10.2194 10.2194 11.3885 11.3885 11.4771 11.4771 11.6297 11.6297 11.7534 11.7534 12.0462 12.0462 13.1100 13.1100 14.6101 14.6101 16.3948 16.3948 16.5183 16.5183 16.6062 16.6062 17.7358 17.7358 18.8399 18.8399 k = 0.0946 0.0537-0.0000 ( 4031 PWs) bands (ev): -41.3883 -41.3883 -18.0435 -18.0435 -17.3972 -17.3972 -17.3722 -17.3722 6.7770 6.7770 9.5388 9.5388 9.8301 9.8301 10.1225 10.1225 10.2186 10.2186 11.3729 11.3729 11.4750 11.4750 11.6540 11.6540 11.7475 11.7475 12.0719 12.0719 13.1043 13.1043 14.5618 14.5618 16.4064 16.4064 16.5151 16.5151 16.6184 16.6184 17.7398 17.7398 18.8092 18.8092 k = 0.1081 0.0614-0.0000 ( 4035 PWs) bands (ev): -41.3883 -41.3883 -18.0435 -18.0435 -17.3973 -17.3973 -17.3722 -17.3722 6.8050 6.8050 9.5240 9.5240 9.7998 9.7998 10.1281 10.1281 10.2166 10.2166 11.3571 11.3571 11.4708 11.4708 11.6787 11.6787 11.7463 11.7463 12.0971 12.0971 13.0979 13.0979 14.5086 14.5086 16.4201 16.4201 16.5110 16.5110 16.6329 16.6329 17.7444 17.7444 18.7753 18.7753 k = 0.1216 0.0691 0.0000 ( 4019 PWs) bands (ev): -41.3883 -41.3883 -18.0435 -18.0435 -17.3974 -17.3974 -17.3722 -17.3722 6.8366 6.8366 9.5081 9.5081 9.7674 9.7674 10.1339 10.1339 10.2135 10.2135 11.3407 11.3407 11.4644 11.4644 11.7035 11.7035 11.7500 11.7500 12.1214 12.1214 13.0909 13.0909 14.4515 14.4515 16.4360 16.4360 16.5062 16.5062 16.6499 16.6499 17.7495 17.7495 18.7383 18.7383 k = 0.1351 0.0767 0.0000 ( 4019 PWs) bands (ev): -41.3883 -41.3883 -18.0435 -18.0435 -17.3975 -17.3975 -17.3721 -17.3721 6.8717 6.8717 9.4912 9.4912 9.7334 9.7334 10.1397 10.1397 10.2093 10.2093 11.3233 11.3233 11.4561 11.4561 11.7283 11.7283 11.7582 11.7582 12.1447 12.1447 13.0835 13.0835 14.3913 14.3913 16.4541 16.4541 16.5007 16.5007 16.6693 16.6693 17.7550 17.7550 18.6986 18.6986 k = 0.1486 0.0844-0.0000 ( 4031 PWs) bands (ev): -41.3883 -41.3883 -18.0436 -18.0436 -17.3976 -17.3976 -17.3721 -17.3721 6.9102 6.9102 9.4737 9.4737 9.6981 9.6981 10.1456 10.1456 10.2039 10.2039 11.3045 11.3045 11.4464 11.4464 11.7530 11.7530 11.7706 11.7706 12.1667 12.1667 13.0757 13.0757 14.3292 14.3292 16.4745 16.4745 16.4945 16.4945 16.6910 16.6910 17.7610 17.7610 18.6566 18.6566 k = 0.1622 0.0921-0.0000 ( 4027 PWs) bands (ev): -41.3882 -41.3882 -18.0436 -18.0436 -17.3977 -17.3977 -17.3721 -17.3721 6.9521 6.9521 9.4555 9.4555 9.6618 9.6618 10.1515 10.1515 10.1975 10.1975 11.2839 11.2839 11.4357 11.4357 11.7774 11.7774 11.7864 11.7864 12.1872 12.1872 13.0678 13.0678 14.2660 14.2660 16.4877 16.4877 16.4973 16.4973 16.7152 16.7152 17.7673 17.7673 18.6124 18.6124 k = 0.1757 0.0998 0.0000 ( 4027 PWs) bands (ev): -41.3882 -41.3882 -18.0436 -18.0436 -17.3979 -17.3979 -17.3720 -17.3720 6.9973 6.9973 9.4370 9.4370 9.6247 9.6247 10.1572 10.1572 10.1902 10.1902 11.2609 11.2609 11.4245 11.4245 11.8015 11.8015 11.8051 11.8051 12.2061 12.2061 13.0597 13.0597 14.2027 14.2027 16.4803 16.4803 16.5225 16.5225 16.7416 16.7416 17.7740 17.7740 18.5663 18.5663 k = 0.1892 0.1074 0.0000 ( 4023 PWs) bands (ev): -41.3882 -41.3882 -18.0436 -18.0436 -17.3980 -17.3980 -17.3720 -17.3720 7.0457 7.0457 9.4183 9.4183 9.5872 9.5872 10.1627 10.1627 10.1821 10.1821 11.2353 11.2353 11.4133 11.4133 11.8250 11.8250 11.8260 11.8260 12.2233 12.2233 13.0516 13.0516 14.1401 14.1401 16.4726 16.4726 16.5502 16.5502 16.7704 16.7704 17.7809 17.7809 18.5185 18.5185 k = 0.2027 0.1151 0.0000 ( 4023 PWs) bands (ev): -41.3882 -41.3882 -18.0436 -18.0436 -17.3981 -17.3981 -17.3720 -17.3720 7.0971 7.0971 9.3996 9.3996 9.5494 9.5494 10.1679 10.1679 10.1733 10.1733 11.2064 11.2064 11.4025 11.4025 11.8480 11.8480 11.8487 11.8487 12.2385 12.2385 13.0436 13.0436 14.0791 14.0791 16.4644 16.4644 16.5804 16.5804 16.8014 16.8014 17.7881 17.7881 18.4694 18.4694 k = 0.2162 0.1228-0.0000 ( 4023 PWs) bands (ev): -41.3882 -41.3882 -18.0436 -18.0436 -17.3983 -17.3983 -17.3719 -17.3719 7.1515 7.1515 9.3809 9.3809 9.5117 9.5117 10.1640 10.1640 10.1729 10.1729 11.1740 11.1740 11.3923 11.3923 11.8702 11.8702 11.8728 11.8728 12.2518 12.2518 13.0359 13.0359 14.0204 14.0204 16.4559 16.4559 16.6130 16.6130 16.8347 16.8347 17.7955 17.7955 18.4192 18.4192 k = 0.2297 0.1305-0.0000 ( 4031 PWs) bands (ev): -41.3882 -41.3882 -18.0437 -18.0437 -17.3984 -17.3984 -17.3719 -17.3719 7.2086 7.2086 9.3623 9.3623 9.4742 9.4742 10.1543 10.1543 10.1775 10.1775 11.1378 11.1378 11.3829 11.3829 11.8917 11.8917 11.8977 11.8977 12.2631 12.2631 13.0285 13.0285 13.9647 13.9647 16.4471 16.4471 16.6480 16.6480 16.8700 16.8700 17.8030 17.8030 18.3681 18.3681 k = 0.2432 0.1381 0.0000 ( 4031 PWs) bands (ev): -41.3881 -41.3881 -18.0437 -18.0437 -17.3986 -17.3986 -17.3719 -17.3719 7.2684 7.2684 9.3441 9.3441 9.4372 9.4372 10.1443 10.1443 10.1818 10.1818 11.0975 11.0975 11.3744 11.3744 11.9124 11.9124 11.9233 11.9233 12.2724 12.2724 13.0215 13.0215 13.9126 13.9126 16.4381 16.4381 16.6854 16.6854 16.9073 16.9073 17.8106 17.8106 18.3165 18.3165 k = 0.2568 0.1458 0.0000 ( 4039 PWs) bands (ev): -41.3881 -41.3881 -18.0437 -18.0437 -17.3987 -17.3987 -17.3718 -17.3718 7.3307 7.3307 9.3263 9.3263 9.4008 9.4008 10.1341 10.1341 10.1857 10.1857 11.0530 11.0530 11.3669 11.3669 11.9321 11.9321 11.9492 11.9492 12.2797 12.2797 13.0150 13.0150 13.8644 13.8644 16.4290 16.4290 16.7251 16.7251 16.9464 16.9464 17.8183 17.8183 18.2646 18.2646 k = 0.2703 0.1535 0.0000 ( 4055 PWs) bands (ev): -41.3881 -41.3881 -18.0437 -18.0437 -17.3989 -17.3989 -17.3718 -17.3718 7.3952 7.3952 9.3090 9.3090 9.3653 9.3653 10.1238 10.1238 10.1893 10.1893 11.0042 11.0042 11.3606 11.3606 11.9509 11.9509 11.9750 11.9750 12.2852 12.2852 13.0090 13.0090 13.8204 13.8204 16.4198 16.4198 16.7668 16.7668 16.9871 16.9871 17.8260 17.8260 18.2128 18.2128 k = 0.2838 0.1612 0.0000 ( 4063 PWs) bands (ev): -41.3881 -41.3881 -18.0437 -18.0437 -17.3990 -17.3990 -17.3717 -17.3717 7.4618 7.4618 9.2923 9.2923 9.3307 9.3307 10.1134 10.1134 10.1925 10.1925 10.9513 10.9513 11.3553 11.3553 11.9687 11.9687 12.0005 12.0005 12.2889 12.2889 13.0035 13.0035 13.7809 13.7809 16.4106 16.4106 16.8106 16.8106 17.0291 17.0291 17.8336 17.8336 18.1615 18.1615 k = 0.2973 0.1688-0.0000 ( 4063 PWs) bands (ev): -41.3881 -41.3881 -18.0438 -18.0438 -17.3992 -17.3992 -17.3717 -17.3717 7.5302 7.5302 9.2763 9.2763 9.2974 9.2974 10.1031 10.1031 10.1954 10.1954 10.8946 10.8946 11.3510 11.3510 11.9855 11.9855 12.0254 12.0254 12.2910 12.2910 12.9985 12.9985 13.7458 13.7458 16.4015 16.4015 16.8560 16.8560 17.0723 17.0723 17.8411 17.8411 18.1108 18.1108 k = 0.3108 0.1765-0.0000 ( 4063 PWs) bands (ev): -41.3881 -41.3881 -18.0438 -18.0438 -17.3993 -17.3993 -17.3717 -17.3717 7.6000 7.6000 9.2610 9.2610 9.2655 9.2655 10.0928 10.0928 10.1979 10.1979 10.8345 10.8345 11.3478 11.3478 12.0013 12.0013 12.0494 12.0494 12.2919 12.2919 12.9941 12.9941 13.7152 13.7152 16.3926 16.3926 16.9030 16.9030 17.1162 17.1162 17.8486 17.8486 18.0613 18.0613 k = 0.3243 0.1842-0.0000 ( 4039 PWs) bands (ev): -41.3880 -41.3880 -18.0438 -18.0438 -17.3994 -17.3994 -17.3716 -17.3716 7.6709 7.6709 9.2351 9.2351 9.2465 9.2465 10.0826 10.0826 10.2001 10.2001 10.7714 10.7714 11.3456 11.3456 12.0160 12.0160 12.0722 12.0722 12.2917 12.2917 12.9901 12.9901 13.6888 13.6888 16.3838 16.3838 16.9510 16.9510 17.1606 17.1606 17.8559 17.8559 18.0133 18.0133 k = 0.3378 0.1919 0.0000 ( 4035 PWs) bands (ev): -41.3880 -41.3880 -18.0438 -18.0438 -17.3996 -17.3996 -17.3716 -17.3716 7.7426 7.7426 9.2063 9.2063 9.2329 9.2329 10.0724 10.0724 10.2020 10.2020 10.7061 10.7061 11.3442 11.3442 12.0296 12.0296 12.0935 12.0935 12.2908 12.2908 12.9866 12.9866 13.6664 13.6664 16.3753 16.3753 16.9998 16.9998 17.2048 17.2048 17.8630 17.8630 17.9671 17.9671 k = 0.3514 0.1995 0.0000 ( 4039 PWs) bands (ev): -41.3880 -41.3880 -18.0438 -18.0438 -17.3997 -17.3997 -17.3716 -17.3716 7.8145 7.8145 9.1794 9.1794 9.2201 9.2201 10.0621 10.0621 10.2036 10.2036 10.6393 10.6393 11.3436 11.3436 12.0421 12.0421 12.1130 12.1130 12.2897 12.2897 12.9835 12.9835 13.6477 13.6477 16.3672 16.3672 17.0488 17.0488 17.2486 17.2486 17.8699 17.8699 17.9231 17.9231 k = 0.3649 0.2072 0.0000 ( 4039 PWs) bands (ev): -41.3880 -41.3880 -18.0438 -18.0438 -17.3998 -17.3998 -17.3715 -17.3715 7.8861 7.8861 9.1543 9.1543 9.2084 9.2084 10.0517 10.0517 10.2050 10.2050 10.5722 10.5722 11.3437 11.3437 12.0536 12.0536 12.1303 12.1303 12.2887 12.2887 12.9808 12.9808 13.6323 13.6323 16.3596 16.3596 17.0975 17.0975 17.2913 17.2913 17.8765 17.8765 17.8818 17.8818 k = 0.3784 0.2149 0.0000 ( 4039 PWs) bands (ev): -41.3880 -41.3880 -18.0439 -18.0439 -17.3999 -17.3999 -17.3715 -17.3715 7.9566 7.9566 9.1313 9.1313 9.1976 9.1976 10.0410 10.0410 10.2061 10.2061 10.5058 10.5058 11.3444 11.3444 12.0639 12.0639 12.1450 12.1450 12.2883 12.2883 12.9785 12.9785 13.6200 13.6200 16.3524 16.3524 17.1452 17.1452 17.3325 17.3325 17.8433 17.8433 17.8829 17.8829 k = 0.3919 0.2226 0.0000 ( 4039 PWs) bands (ev): -41.3880 -41.3880 -18.0439 -18.0439 -17.4000 -17.4000 -17.3715 -17.3715 8.0253 8.0253 9.1104 9.1104 9.1879 9.1879 10.0298 10.0298 10.2070 10.2070 10.4416 10.4416 11.3454 11.3454 12.0732 12.0732 12.1568 12.1568 12.2889 12.2889 12.9764 12.9764 13.6102 13.6102 16.3458 16.3458 17.1912 17.1912 17.3714 17.3714 17.8082 17.8082 17.8890 17.8890 k = 0.4054 0.2302-0.0000 ( 4047 PWs) bands (ev): -41.3880 -41.3880 -18.0439 -18.0439 -17.4001 -17.4001 -17.3715 -17.3715 8.0912 8.0912 9.0917 9.0917 9.1792 9.1792 10.0176 10.0176 10.2078 10.2078 10.3812 10.3812 11.3468 11.3468 12.0813 12.0813 12.1657 12.1657 12.2907 12.2907 12.9746 12.9746 13.6025 13.6025 16.3398 16.3398 17.2346 17.2346 17.4076 17.4076 17.7767 17.7767 17.8946 17.8946 k = 0.4189 0.2379-0.0000 ( 4043 PWs) bands (ev): -41.3880 -41.3880 -18.0439 -18.0439 -17.4002 -17.4002 -17.3714 -17.3714 8.1531 8.1531 9.0753 9.0753 9.1717 9.1717 10.0041 10.0041 10.2083 10.2083 10.3263 10.3263 11.3483 11.3483 12.0884 12.0884 12.1719 12.1719 12.2936 12.2936 12.9731 12.9731 13.5968 13.5968 16.3344 16.3344 17.2746 17.2746 17.4404 17.4404 17.7491 17.7491 17.8999 17.8999 k = 0.4324 0.2456-0.0000 ( 4035 PWs) bands (ev): -41.3880 -41.3880 -18.0439 -18.0439 -17.4002 -17.4002 -17.3714 -17.3714 8.2096 8.2096 9.0613 9.0613 9.1652 9.1652 9.9893 9.9893 10.2088 10.2088 10.2788 10.2788 11.3498 11.3498 12.0943 12.0943 12.1757 12.1757 12.2972 12.2972 12.9718 12.9718 13.5925 13.5925 16.3298 16.3298 17.3102 17.3102 17.4692 17.4692 17.7258 17.7258 17.9047 17.9047 k = 0.4459 0.2533-0.0000 ( 4035 PWs) bands (ev): -41.3880 -41.3880 -18.0439 -18.0439 -17.4003 -17.4003 -17.3714 -17.3714 8.2593 8.2593 9.0498 9.0498 9.1599 9.1599 9.9734 9.9734 10.2091 10.2091 10.2401 10.2401 11.3512 11.3512 12.0992 12.0992 12.1777 12.1777 12.3011 12.3011 12.9708 12.9708 13.5894 13.5894 16.3260 16.3260 17.3405 17.3405 17.4936 17.4936 17.7069 17.7069 17.9088 17.9088 k = 0.4595 0.2609-0.0000 ( 4042 PWs) bands (ev): -41.3879 -41.3879 -18.0439 -18.0439 -17.4003 -17.4003 -17.3714 -17.3714 8.3004 8.3004 9.0407 9.0407 9.1558 9.1558 9.9575 9.9575 10.2094 10.2094 10.2107 10.2107 11.3524 11.3524 12.1030 12.1030 12.1787 12.1787 12.3048 12.3048 12.9699 12.9699 13.5873 13.5873 16.3230 16.3230 17.3647 17.3647 17.5130 17.5130 17.6924 17.6924 17.9122 17.9122 k = 0.4730 0.2686 0.0000 ( 4050 PWs) bands (ev): -41.3879 -41.3879 -18.0439 -18.0439 -17.4003 -17.4003 -17.3714 -17.3714 8.3313 8.3313 9.0342 9.0342 9.1529 9.1529 9.9437 9.9437 10.1907 10.1907 10.2096 10.2096 11.3534 11.3534 12.1057 12.1057 12.1790 12.1790 12.3077 12.3077 12.9694 12.9694 13.5859 13.5859 16.3208 16.3208 17.3824 17.3824 17.5271 17.5271 17.6823 17.6823 17.9148 17.9148 k = 0.4865 0.2763 0.0000 ( 4050 PWs) bands (ev): -41.3879 -41.3879 -18.0439 -18.0439 -17.4004 -17.4004 -17.3714 -17.3714 8.3505 8.3505 9.0302 9.0302 9.1511 9.1511 9.9342 9.9342 10.1791 10.1791 10.2096 10.2096 11.3540 11.3540 12.1073 12.1073 12.1790 12.1790 12.3095 12.3095 12.9690 12.9690 13.5852 13.5852 16.3195 16.3195 17.3930 17.3930 17.5357 17.5357 17.6764 17.6764 17.9164 17.9164 k = 0.5000 0.2840 0.0000 ( 4042 PWs) bands (ev): -41.3879 -41.3879 -18.0439 -18.0439 -17.4004 -17.4004 -17.3714 -17.3714 8.3570 8.3570 9.0289 9.0289 9.1505 9.1505 9.9308 9.9308 10.1754 10.1754 10.2097 10.2097 11.3542 11.3542 12.1078 12.1078 12.1790 12.1790 12.3102 12.3102 12.9689 12.9689 13.5849 13.5849 16.3191 16.3191 17.3966 17.3966 17.5385 17.5385 17.6745 17.6745 17.9169 17.9169 k = 0.5000 0.2840 0.0000 ( 4042 PWs) bands (ev): -41.3879 -41.3879 -18.0439 -18.0439 -17.4004 -17.4004 -17.3714 -17.3714 8.3570 8.3570 9.0289 9.0289 9.1505 9.1505 9.9308 9.9308 10.1754 10.1754 10.2097 10.2097 11.3542 11.3542 12.1078 12.1078 12.1790 12.1790 12.3102 12.3102 12.9689 12.9689 13.5849 13.5849 16.3191 16.3191 17.3966 17.3966 17.5385 17.5385 17.6745 17.6745 17.9169 17.9169 k = 0.4946 0.2934 0.0109 ( 4050 PWs) bands (ev): -41.3879 -41.3879 -18.0439 -18.0439 -17.4004 -17.4004 -17.3714 -17.3714 8.3581 8.3581 9.0294 9.0294 9.1514 9.1514 9.9237 9.9237 10.1806 10.1806 10.2117 10.2117 11.3530 11.3530 12.1040 12.1040 12.1802 12.1802 12.3155 12.3155 12.9696 12.9696 13.5845 13.5845 16.3196 16.3196 17.3962 17.3962 17.5378 17.5378 17.6739 17.6739 17.9128 17.9128 k = 0.4892 0.3029 0.0218 ( 4050 PWs) bands (ev): -41.3879 -41.3879 -18.0440 -18.0440 -17.4004 -17.4004 -17.3716 -17.3716 8.3615 8.3615 9.0310 9.0310 9.1542 9.1542 9.9046 9.9046 10.1890 10.1890 10.2228 10.2228 11.3494 11.3494 12.0932 12.0932 12.1846 12.1846 12.3299 12.3299 12.9715 12.9715 13.5830 13.5830 16.3213 16.3213 17.3952 17.3952 17.5358 17.5358 17.6722 17.6722 17.9008 17.9008 k = 0.4839 0.3124 0.0327 ( 4050 PWs) bands (ev): -41.3879 -41.3879 -18.0441 -18.0441 -17.4004 -17.4004 -17.3718 -17.3718 8.3670 8.3670 9.0336 9.0336 9.1587 9.1587 9.8779 9.8779 10.1907 10.1907 10.2482 10.2482 11.3439 11.3439 12.0772 12.0772 12.1930 12.1930 12.3508 12.3508 12.9748 12.9748 13.5805 13.5805 16.3241 16.3241 17.3935 17.3935 17.5325 17.5325 17.6693 17.6693 17.8813 17.8813 k = 0.4785 0.3218 0.0435 ( 4044 PWs) bands (ev): -41.3878 -41.3878 -18.0442 -18.0442 -17.4005 -17.4005 -17.3720 -17.3720 8.3748 8.3748 9.0372 9.0372 9.1651 9.1651 9.8473 9.8473 10.1881 10.1881 10.2820 10.2820 11.3368 11.3368 12.0580 12.0580 12.2052 12.2052 12.3758 12.3758 12.9793 12.9793 13.5771 13.5771 16.3279 16.3279 17.3909 17.3909 17.5279 17.5279 17.6651 17.6651 17.8551 17.8551 k = 0.4731 0.3313 0.0544 ( 4048 PWs) bands (ev): -41.3878 -41.3878 -18.0444 -18.0444 -17.4006 -17.4006 -17.3724 -17.3724 8.3847 8.3847 9.0418 9.0418 9.1731 9.1731 9.8148 9.8148 10.1833 10.1833 10.3198 10.3198 11.3290 11.3290 12.0374 12.0374 12.2208 12.2208 12.4033 12.4033 12.9850 12.9850 13.5726 13.5726 16.3326 16.3326 17.3872 17.3872 17.5223 17.5223 17.6598 17.6598 17.8233 17.8233 k = 0.4677 0.3408 0.0653 ( 4046 PWs) bands (ev): -41.3877 -41.3877 -18.0446 -18.0446 -17.4007 -17.4007 -17.3728 -17.3728 8.3966 8.3966 9.0473 9.0473 9.1826 9.1826 9.7819 9.7819 10.1771 10.1771 10.3592 10.3592 11.3211 11.3211 12.0165 12.0165 12.2392 12.2392 12.4323 12.4323 12.9918 12.9918 13.5672 13.5672 16.3381 16.3381 17.3823 17.3823 17.5158 17.5158 17.6531 17.6531 17.7869 17.7869 k = 0.4624 0.3502 0.0762 ( 4040 PWs) bands (ev): -41.3877 -41.3877 -18.0449 -18.0449 -17.4008 -17.4008 -17.3733 -17.3733 8.4106 8.4106 9.0536 9.0536 9.1936 9.1936 9.7495 9.7495 10.1697 10.1697 10.3989 10.3989 11.3141 11.3141 11.9959 11.9959 12.2597 12.2597 12.4622 12.4622 12.9998 12.9998 13.5608 13.5608 16.3443 16.3443 17.3759 17.3759 17.5084 17.5084 17.6450 17.6450 17.7475 17.7475 k = 0.4570 0.3597 0.0871 ( 4044 PWs) bands (ev): -41.3876 -41.3876 -18.0451 -18.0451 -17.4009 -17.4009 -17.3739 -17.3739 8.4264 8.4264 9.0608 9.0608 9.2057 9.2057 9.7181 9.7181 10.1614 10.1614 10.4378 10.4378 11.3089 11.3089 11.9763 11.9763 12.2819 12.2819 12.4925 12.4925 13.0087 13.0087 13.5534 13.5534 16.3510 16.3510 17.3677 17.3677 17.5002 17.5002 17.6351 17.6351 17.7067 17.7067 k = 0.4516 0.3692 0.0980 ( 4048 PWs) bands (ev): -41.3875 -41.3875 -18.0455 -18.0455 -17.4011 -17.4011 -17.3745 -17.3745 8.4441 8.4441 9.0687 9.0687 9.2188 9.2188 9.6883 9.6883 10.1521 10.1521 10.4749 10.4749 11.3068 11.3068 11.9580 11.9580 12.3051 12.3051 12.5229 12.5229 13.0185 13.0185 13.5450 13.5450 16.3580 16.3580 17.3573 17.3573 17.4910 17.4910 17.6222 17.6222 17.6673 17.6673 k = 0.4462 0.3786 0.1089 ( 4050 PWs) bands (ev): -41.3874 -41.3874 -18.0458 -18.0458 -17.4013 -17.4013 -17.3751 -17.3751 8.4634 8.4634 9.0773 9.0773 9.2324 9.2324 9.6607 9.6607 10.1422 10.1422 10.5094 10.5094 11.3086 11.3086 11.9414 11.9414 12.3291 12.3291 12.5531 12.5531 13.0291 13.0291 13.5356 13.5356 16.3649 16.3649 17.3444 17.3444 17.4797 17.4797 17.6029 17.6029 17.6350 17.6350 k = 0.4409 0.3881 0.1198 ( 4054 PWs) bands (ev): -41.3872 -41.3872 -18.0462 -18.0462 -17.4016 -17.4016 -17.3758 -17.3758 8.4843 8.4843 9.0864 9.0864 9.2461 9.2461 9.6358 9.6358 10.1316 10.1316 10.5403 10.5403 11.3157 11.3157 11.9267 11.9267 12.3535 12.3535 12.5830 12.5830 13.0405 13.0405 13.5253 13.5253 16.3715 16.3715 17.3286 17.3286 17.4649 17.4649 17.5761 17.5761 17.6137 17.6137 k = 0.4355 0.3976 0.1306 ( 4060 PWs) bands (ev): -41.3871 -41.3871 -18.0466 -18.0466 -17.4019 -17.4019 -17.3765 -17.3765 8.5066 8.5066 9.0959 9.0959 9.2592 9.2592 9.6143 9.6143 10.1206 10.1206 10.5669 10.5669 11.3288 11.3288 11.9142 11.9142 12.3778 12.3778 12.6123 12.6123 13.0525 13.0525 13.5139 13.5139 16.3774 16.3774 17.3097 17.3097 17.4444 17.4444 17.5509 17.5509 17.5972 17.5972 k = 0.4301 0.4070 0.1415 ( 4056 PWs) bands (ev): -41.3870 -41.3870 -18.0471 -18.0471 -17.4023 -17.4023 -17.3772 -17.3772 8.5302 8.5302 9.1055 9.1055 9.2712 9.2712 9.5970 9.5970 10.1093 10.1093 10.5887 10.5887 11.3487 11.3487 11.9040 11.9040 12.4018 12.4018 12.6408 12.6408 13.0651 13.0651 13.5016 13.5016 16.3821 16.3821 17.2874 17.2874 17.4183 17.4183 17.5321 17.5321 17.5817 17.5817 k = 0.4247 0.4165 0.1524 ( 4060 PWs) bands (ev): -41.3868 -41.3868 -18.0475 -18.0475 -17.4027 -17.4027 -17.3779 -17.3779 8.5549 8.5549 9.1150 9.1150 9.2814 9.2814 9.5847 9.5847 10.0977 10.0977 10.6055 10.6055 11.3758 11.3758 11.8965 11.8965 12.4252 12.4252 12.6682 12.6682 13.0783 13.0783 13.4883 13.4883 16.3851 16.3851 17.2617 17.2617 17.3892 17.3892 17.5179 17.5179 17.5670 17.5670 k = 0.4194 0.4260 0.1633 ( 4060 PWs) bands (ev): -41.3867 -41.3867 -18.0480 -18.0480 -17.4032 -17.4032 -17.3785 -17.3785 8.5804 8.5804 9.1238 9.1238 9.2892 9.2892 9.5781 9.5781 10.0862 10.0862 10.6176 10.6176 11.4099 11.4099 11.8918 11.8918 12.4479 12.4479 12.6945 12.6945 13.0918 13.0918 13.4740 13.4740 16.3856 16.3856 17.2329 17.2329 17.3598 17.3598 17.5038 17.5038 17.5547 17.5547 k = 0.4140 0.4354 0.1742 ( 4064 PWs) bands (ev): -41.3865 -41.3865 -18.0486 -18.0486 -17.4038 -17.4038 -17.3792 -17.3792 8.6067 8.6067 9.1316 9.1316 9.2948 9.2948 9.5774 9.5774 10.0748 10.0748 10.6253 10.6253 11.4506 11.4506 11.8903 11.8903 12.4698 12.4698 12.7195 12.7195 13.1058 13.1058 13.4588 13.4588 16.3828 16.3828 17.2018 17.2018 17.3318 17.3318 17.4857 17.4857 17.5467 17.5467 k = 0.4086 0.4449 0.1851 ( 4068 PWs) bands (ev): -41.3864 -41.3864 -18.0491 -18.0491 -17.4045 -17.4045 -17.3798 -17.3798 8.6335 8.6335 9.1375 9.1375 9.2988 9.2988 9.5825 9.5825 10.0636 10.0636 10.6296 10.6296 11.4972 11.4972 11.8920 11.8920 12.4907 12.4907 12.7428 12.7428 13.1201 13.1201 13.4426 13.4426 16.3757 16.3757 17.1698 17.1698 17.3054 17.3054 17.4622 17.4622 17.5433 17.5433 k = 0.4032 0.4544 0.1960 ( 4068 PWs) bands (ev): -41.3862 -41.3862 -18.0497 -18.0497 -17.4052 -17.4052 -17.3803 -17.3803 8.6606 8.6606 9.1408 9.1408 9.3025 9.3025 9.5926 9.5926 10.0530 10.0530 10.6312 10.6312 11.5487 11.5487 11.8974 11.8974 12.5106 12.5106 12.7644 12.7644 13.1346 13.1346 13.4256 13.4256 16.3630 16.3630 17.1379 17.1379 17.2804 17.2804 17.4335 17.4335 17.5434 17.5434 k = 0.3978 0.4638 0.2069 ( 4063 PWs) bands (ev): -41.3860 -41.3860 -18.0503 -18.0503 -17.4060 -17.4060 -17.3808 -17.3808 8.6879 8.6879 9.1408 9.1408 9.3071 9.3071 9.6065 9.6065 10.0429 10.0429 10.6311 10.6311 11.6042 11.6042 11.9067 11.9067 12.5298 12.5298 12.7842 12.7842 13.1493 13.1493 13.4079 13.4079 16.3433 16.3433 17.1074 17.1074 17.2565 17.2565 17.4002 17.4002 17.5459 17.5459 k = 0.3925 0.4733 0.2177 ( 4059 PWs) bands (ev): -41.3859 -41.3859 -18.0509 -18.0509 -17.4069 -17.4069 -17.3812 -17.3812 8.7151 8.7151 9.1374 9.1374 9.3138 9.3138 9.6232 9.6232 10.0338 10.0338 10.6301 10.6301 11.6623 11.6623 11.9202 11.9202 12.5482 12.5482 12.8018 12.8018 13.1640 13.1640 13.3896 13.3896 16.3149 16.3149 17.0790 17.0790 17.2333 17.2333 17.3631 17.3631 17.5502 17.5502 k = 0.3871 0.4828 0.2286 ( 4055 PWs) bands (ev): -41.3857 -41.3857 -18.0515 -18.0515 -17.4079 -17.4079 -17.3816 -17.3816 8.7420 8.7420 9.1308 9.1308 9.3230 9.3230 9.6414 9.6414 10.0256 10.0256 10.6290 10.6290 11.7218 11.7218 11.9385 11.9385 12.5663 12.5663 12.8173 12.8173 13.1784 13.1784 13.3709 13.3709 16.2760 16.2760 17.0533 17.0533 17.2105 17.2105 17.3231 17.3231 17.5560 17.5560 k = 0.3817 0.4922 0.2395 ( 4059 PWs) bands (ev): -41.3855 -41.3855 -18.0521 -18.0521 -17.4090 -17.4090 -17.3819 -17.3819 8.7686 8.7686 9.1216 9.1216 9.3344 9.3344 9.6602 9.6602 10.0187 10.0187 10.6284 10.6284 11.7811 11.7811 11.9620 11.9620 12.5846 12.5846 12.8305 12.8305 13.1923 13.1923 13.3523 13.3523 16.2248 16.2248 17.0306 17.0306 17.1877 17.1877 17.2819 17.2819 17.5629 17.5629 k = 0.3763 0.5017 0.2504 ( 4055 PWs) bands (ev): -41.3853 -41.3853 -18.0528 -18.0528 -17.4101 -17.4101 -17.3822 -17.3822 8.7946 8.7946 9.1106 9.1106 9.3477 9.3477 9.6788 9.6788 10.0132 10.0132 10.6290 10.6290 11.8387 11.8387 11.9912 11.9912 12.6037 12.6037 12.8413 12.8413 13.2047 13.2047 13.3348 13.3348 16.1601 16.1601 17.0112 17.0112 17.1642 17.1642 17.2419 17.2419 17.5709 17.5709 k = 0.3710 0.5112 0.2613 ( 4063 PWs) bands (ev): -41.3852 -41.3852 -18.0534 -18.0534 -17.4112 -17.4112 -17.3824 -17.3824 8.8198 8.8198 9.0986 9.0986 9.3623 9.3623 9.6966 9.6966 10.0092 10.0092 10.6313 10.6313 11.8929 11.8929 12.0261 12.0261 12.6244 12.6244 12.8498 12.8498 13.2140 13.2140 13.3200 13.3200 16.0812 16.0812 16.9950 16.9950 17.1391 17.1391 17.2056 17.2056 17.5798 17.5798 k = 0.3656 0.5206 0.2722 ( 4063 PWs) bands (ev): -41.3850 -41.3850 -18.0541 -18.0541 -17.4124 -17.4124 -17.3826 -17.3826 8.8442 8.8442 9.0860 9.0860 9.3778 9.3778 9.7129 9.7129 10.0069 10.0069 10.6357 10.6357 11.9433 11.9433 12.0657 12.0657 12.6480 12.6480 12.8560 12.8560 13.2175 13.2175 13.3110 13.3110 15.9882 15.9882 16.9819 16.9819 17.1119 17.1119 17.1753 17.1753 17.5897 17.5897 k = 0.3602 0.5301 0.2831 ( 4053 PWs) bands (ev): -41.3848 -41.3848 -18.0547 -18.0547 -17.4136 -17.4136 -17.3827 -17.3827 8.8676 8.8676 9.0734 9.0734 9.3938 9.3938 9.7275 9.7275 10.0063 10.0063 10.6425 10.6425 11.9907 11.9907 12.1071 12.1071 12.6756 12.6756 12.8599 12.8599 13.2130 13.2130 13.3105 13.3105 15.8822 15.8822 16.9715 16.9715 17.0839 17.0839 17.1510 17.1510 17.6004 17.6004 k = 0.3548 0.5396 0.2940 ( 4063 PWs) bands (ev): -41.3846 -41.3846 -18.0554 -18.0554 -17.4148 -17.4148 -17.3828 -17.3828 8.8898 8.8898 9.0613 9.0613 9.4100 9.4100 9.7401 9.7401 10.0073 10.0073 10.6520 10.6520 12.0364 12.0364 12.1469 12.1469 12.7081 12.7081 12.8617 12.8617 13.2019 13.2019 13.3176 13.3176 15.7649 15.7649 16.9632 16.9632 17.0570 17.0570 17.1313 17.1313 17.6118 17.6118 k = 0.3495 0.5490 0.3048 ( 4071 PWs) bands (ev): -41.3845 -41.3845 -18.0560 -18.0560 -17.4161 -17.4161 -17.3828 -17.3828 8.9106 8.9106 9.0500 9.0500 9.4260 9.4260 9.7506 9.7506 10.0098 10.0098 10.6643 10.6643 12.0814 12.0814 12.1825 12.1825 12.7455 12.7455 12.8614 12.8614 13.1887 13.1887 13.3296 13.3296 15.6384 15.6384 16.9561 16.9561 17.0335 17.0335 17.1148 17.1148 17.6240 17.6240 k = 0.3441 0.5585 0.3157 ( 4071 PWs) bands (ev): -41.3843 -41.3843 -18.0567 -18.0567 -17.4173 -17.4173 -17.3828 -17.3828 8.9296 8.9296 9.0400 9.0400 9.4415 9.4415 9.7593 9.7593 10.0135 10.0135 10.6794 10.6794 12.1253 12.1253 12.2130 12.2130 12.7856 12.7856 12.8597 12.8597 13.1780 13.1780 13.3442 13.3442 15.5049 15.5049 16.9485 16.9485 17.0152 17.0152 17.1009 17.1009 17.6368 17.6368 k = 0.3387 0.5680 0.3266 ( 4083 PWs) bands (ev): -41.3841 -41.3841 -18.0573 -18.0573 -17.4185 -17.4185 -17.3828 -17.3828 8.9462 8.9462 9.0322 9.0322 9.4565 9.4565 9.7665 9.7665 10.0181 10.0181 10.6972 10.6972 12.1651 12.1651 12.2410 12.2410 12.8225 12.8225 12.8579 12.8579 13.1753 13.1753 13.3606 13.3606 15.3665 15.3665 16.9379 16.9379 17.0043 17.0043 17.0892 17.0892 17.6501 17.6501 k = 0.3333 0.5774 0.3375 ( 4081 PWs) bands (ev): -41.3840 -41.3840 -18.0579 -18.0579 -17.4197 -17.4197 -17.3828 -17.3828 8.9590 8.9590 9.0281 9.0281 9.4706 9.4706 9.7723 9.7723 10.0233 10.0233 10.7177 10.7177 12.1940 12.1940 12.2734 12.2734 12.8404 12.8404 12.8647 12.8647 13.1876 13.1876 13.3784 13.3784 15.2251 15.2251 16.9233 16.9233 17.0012 17.0012 17.0796 17.0796 17.6639 17.6639 k = 0.3280 0.5869 0.3484 ( 4081 PWs) bands (ev): -41.3838 -41.3838 -18.0585 -18.0585 -17.4208 -17.4208 -17.3828 -17.3828 8.9662 8.9662 9.0294 9.0294 9.4838 9.4838 9.7772 9.7772 10.0289 10.0289 10.7404 10.7404 12.2074 12.2074 12.3151 12.3151 12.8380 12.8380 12.8749 12.8749 13.2208 13.2208 13.3980 13.3980 15.0824 15.0824 16.9058 16.9058 17.0045 17.0045 17.0720 17.0720 17.6782 17.6782 k = 0.3226 0.5964 0.3593 ( 4077 PWs) bands (ev): -41.3837 -41.3837 -18.0590 -18.0590 -17.4219 -17.4219 -17.3827 -17.3827 8.9674 8.9674 9.0367 9.0367 9.4959 9.4959 9.7815 9.7815 10.0346 10.0346 10.7651 10.7651 12.2090 12.2090 12.3625 12.3625 12.8317 12.8317 12.8713 12.8713 13.2740 13.2740 13.4202 13.4202 14.9400 14.9400 16.8866 16.8866 17.0124 17.0124 17.0665 17.0665 17.6927 17.6927 k = 0.3172 0.6058 0.3702 ( 4077 PWs) bands (ev): -41.3836 -41.3836 -18.0596 -18.0596 -17.4230 -17.4230 -17.3826 -17.3826 8.9648 8.9648 9.0478 9.0478 9.5068 9.5068 9.7853 9.7853 10.0402 10.0402 10.7916 10.7916 12.2027 12.2027 12.4113 12.4113 12.8248 12.8248 12.8554 12.8554 13.3395 13.3395 13.4477 13.4477 14.7996 14.7996 16.8665 16.8665 17.0236 17.0236 17.0633 17.0633 17.7075 17.7075 k = 0.3118 0.6153 0.3811 ( 4069 PWs) bands (ev): -41.3834 -41.3834 -18.0601 -18.0601 -17.4240 -17.4240 -17.3826 -17.3826 8.9605 8.9605 9.0608 9.0608 9.5166 9.5166 9.7890 9.7890 10.0457 10.0457 10.8194 10.8194 12.1907 12.1907 12.4578 12.4578 12.8167 12.8167 12.8341 12.8341 13.4035 13.4035 13.4888 13.4888 14.6628 14.6628 16.8457 16.8457 17.0376 17.0376 17.0627 17.0627 17.7223 17.7223 k = 0.3064 0.6248 0.3919 ( 4063 PWs) bands (ev): -41.3833 -41.3833 -18.0605 -18.0605 -17.4249 -17.4249 -17.3825 -17.3825 8.9557 8.9557 9.0744 9.0744 9.5251 9.5251 9.7926 9.7926 10.0508 10.0508 10.8481 10.8481 12.1741 12.1741 12.4986 12.4986 12.7943 12.7943 12.8253 12.8253 13.4508 13.4508 13.5544 13.5544 14.5315 14.5315 16.8243 16.8243 17.0529 17.0529 17.0656 17.0656 17.7372 17.7372 k = 0.3011 0.6342 0.4028 ( 4067 PWs) bands (ev): -41.3832 -41.3832 -18.0610 -18.0610 -17.4258 -17.4258 -17.3824 -17.3824 8.9510 8.9510 9.0881 9.0881 9.5324 9.5324 9.7964 9.7964 10.0555 10.0555 10.8775 10.8775 12.1539 12.1539 12.5297 12.5297 12.7609 12.7609 12.8305 12.8305 13.4863 13.4863 13.6357 13.6357 14.4088 14.4088 16.8025 16.8025 17.0645 17.0645 17.0770 17.0770 17.7519 17.7519 k = 0.2957 0.6437 0.4137 ( 4071 PWs) bands (ev): -41.3831 -41.3831 -18.0614 -18.0614 -17.4266 -17.4266 -17.3823 -17.3823 8.9465 8.9465 9.1017 9.1017 9.5385 9.5385 9.8003 9.8003 10.0597 10.0597 10.9071 10.9071 12.1306 12.1306 12.5480 12.5480 12.7238 12.7238 12.8452 12.8452 13.5193 13.5193 13.7176 13.7176 14.3003 14.3003 16.7803 16.7803 17.0731 17.0731 17.0964 17.0964 17.7663 17.7663 k = 0.2903 0.6532 0.4246 ( 4069 PWs) bands (ev): -41.3830 -41.3830 -18.0618 -18.0618 -17.4273 -17.4273 -17.3823 -17.3823 8.9423 8.9423 9.1151 9.1151 9.5433 9.5433 9.8045 9.8045 10.0633 10.0633 10.9368 10.9368 12.1047 12.1047 12.5525 12.5525 12.6847 12.6847 12.8683 12.8683 13.5524 13.5524 13.7856 13.7856 14.2183 14.2183 16.7577 16.7577 17.0837 17.0837 17.1185 17.1185 17.7804 17.7804 k = 0.2903 0.6532 0.4246 ( 4069 PWs) bands (ev): -41.3830 -41.3830 -18.0618 -18.0618 -17.4273 -17.4273 -17.3823 -17.3823 8.9423 8.9423 9.1151 9.1151 9.5433 9.5433 9.8045 9.8045 10.0633 10.0633 10.9368 10.9368 12.1047 12.1047 12.5525 12.5525 12.6847 12.6847 12.8683 12.8683 13.5524 13.5524 13.7856 13.7856 14.2183 14.2183 16.7577 16.7577 17.0837 17.0837 17.1185 17.1185 17.7804 17.7804 k = 0.2758 0.6496 0.4287 ( 4068 PWs) bands (ev): -41.3830 -41.3830 -18.0619 -18.0619 -17.4276 -17.4276 -17.3822 -17.3822 8.9410 8.9410 9.1196 9.1196 9.5460 9.5460 9.8054 9.8054 10.0660 10.0660 10.9475 10.9475 12.0929 12.0929 12.5486 12.5486 12.6631 12.6631 12.8804 12.8804 13.5612 13.5612 13.8069 13.8069 14.2083 14.2083 16.7487 16.7487 17.0884 17.0884 17.1281 17.1281 17.7856 17.7856 k = 0.2613 0.6461 0.4328 ( 4072 PWs) bands (ev): -41.3830 -41.3830 -18.0620 -18.0620 -17.4278 -17.4278 -17.3822 -17.3822 8.9402 8.9402 9.1230 9.1230 9.5507 9.5507 9.8047 9.8047 10.0716 10.0716 10.9571 10.9571 12.0780 12.0780 12.5386 12.5386 12.6317 12.6317 12.8946 12.8946 13.5617 13.5617 13.8266 13.8266 14.2280 14.2280 16.7387 16.7387 17.0932 17.0932 17.1394 17.1394 17.7910 17.7910 k = 0.2468 0.6425 0.4369 ( 4070 PWs) bands (ev): -41.3829 -41.3829 -18.0621 -18.0621 -17.4280 -17.4280 -17.3822 -17.3822 8.9397 8.9397 9.1256 9.1256 9.5576 9.5576 9.8026 9.8026 10.0801 10.0801 10.9656 10.9656 12.0604 12.0604 12.5212 12.5212 12.5966 12.5966 12.9085 12.9085 13.5531 13.5531 13.8419 13.8419 14.2782 14.2782 16.7276 16.7276 17.0981 17.0981 17.1520 17.1520 17.7964 17.7964 k = 0.2323 0.6390 0.4409 ( 4074 PWs) bands (ev): -41.3829 -41.3829 -18.0622 -18.0622 -17.4282 -17.4282 -17.3822 -17.3822 8.9396 8.9396 9.1272 9.1272 9.5663 9.5663 9.7994 9.7994 10.0916 10.0916 10.9726 10.9726 12.0404 12.0404 12.4933 12.4933 12.5642 12.5642 12.9215 12.9215 13.5361 13.5361 13.8542 13.8542 14.3543 14.3543 16.7154 16.7154 17.1029 17.1029 17.1657 17.1657 17.8019 17.8019 k = 0.2177 0.6354 0.4450 ( 4080 PWs) bands (ev): -41.3829 -41.3829 -18.0623 -18.0623 -17.4284 -17.4284 -17.3821 -17.3821 8.9399 8.9399 9.1281 9.1281 9.5767 9.5767 9.7954 9.7954 10.1057 10.1057 10.9779 10.9779 12.0185 12.0185 12.4543 12.4543 12.5378 12.5378 12.9335 12.9335 13.5126 13.5126 13.8657 13.8657 14.4494 14.4494 16.7020 16.7020 17.1077 17.1077 17.1801 17.1801 17.8074 17.8074 k = 0.2032 0.6319 0.4491 ( 4078 PWs) bands (ev): -41.3829 -41.3829 -18.0624 -18.0624 -17.4286 -17.4286 -17.3821 -17.3821 8.9403 8.9403 9.1284 9.1284 9.5884 9.5884 9.7910 9.7910 10.1222 10.1222 10.9812 10.9812 11.9950 11.9950 12.4087 12.4087 12.5149 12.5149 12.9449 12.9449 13.4848 13.4848 13.8776 13.8776 14.5577 14.5577 16.6873 16.6873 17.1120 17.1120 17.1951 17.1951 17.8128 17.8128 k = 0.1887 0.6283 0.4532 ( 4072 PWs) bands (ev): -41.3828 -41.3828 -18.0625 -18.0625 -17.4288 -17.4288 -17.3821 -17.3821 8.9410 8.9410 9.1281 9.1281 9.6009 9.6009 9.7868 9.7868 10.1409 10.1409 10.9820 10.9820 11.9706 11.9706 12.3609 12.3609 12.4930 12.4930 12.9559 12.9559 13.4548 13.4548 13.8900 13.8900 14.6750 14.6750 16.6713 16.6713 17.1159 17.1159 17.2102 17.2102 17.8181 17.8181 k = 0.1742 0.6248 0.4573 ( 4068 PWs) bands (ev): -41.3828 -41.3828 -18.0626 -18.0626 -17.4289 -17.4289 -17.3820 -17.3820 8.9418 8.9418 9.1274 9.1274 9.6137 9.6137 9.7832 9.7832 10.1615 10.1615 10.9799 10.9799 11.9458 11.9458 12.3136 12.3136 12.4709 12.4709 12.9668 12.9668 13.4241 13.4241 13.9027 13.9027 14.7979 14.7979 16.6537 16.6537 17.1192 17.1192 17.2254 17.2254 17.8233 17.8233 k = 0.1597 0.6212 0.4613 ( 4068 PWs) bands (ev): -41.3828 -41.3828 -18.0627 -18.0627 -17.4291 -17.4291 -17.3820 -17.3820 8.9428 8.9428 9.1264 9.1264 9.6260 9.6260 9.7811 9.7811 10.1840 10.1840 10.9746 10.9746 11.9213 11.9213 12.2683 12.2683 12.4483 12.4483 12.9776 12.9776 13.3936 13.3936 13.9153 13.9153 14.9242 14.9242 16.6345 16.6345 17.1216 17.1216 17.2402 17.2402 17.8283 17.8283 k = 0.1452 0.6177 0.4654 ( 4068 PWs) bands (ev): -41.3828 -41.3828 -18.0628 -18.0628 -17.4292 -17.4292 -17.3820 -17.3820 8.9438 8.9438 9.1253 9.1253 9.6371 9.6371 9.7808 9.7808 10.2080 10.2080 10.9657 10.9657 11.8976 11.8976 12.2261 12.2261 12.4254 12.4254 12.9886 12.9886 13.3640 13.3640 13.9276 13.9276 15.0520 15.0520 16.6132 16.6132 17.1230 17.1230 17.2546 17.2546 17.8331 17.8331 k = 0.1306 0.6141 0.4695 ( 4074 PWs) bands (ev): -41.3828 -41.3828 -18.0628 -18.0628 -17.4293 -17.4293 -17.3820 -17.3820 8.9448 8.9448 9.1240 9.1240 9.6462 9.6462 9.7830 9.7830 10.2334 10.2334 10.9531 10.9531 11.8755 11.8755 12.1877 12.1877 12.4023 12.4023 12.9997 12.9997 13.3358 13.3358 13.9393 13.9393 15.1797 15.1797 16.5897 16.5897 17.1235 17.1235 17.2682 17.2682 17.8376 17.8376 k = 0.1161 0.6106 0.4736 ( 4074 PWs) bands (ev): -41.3828 -41.3828 -18.0629 -18.0629 -17.4295 -17.4295 -17.3820 -17.3820 8.9459 8.9459 9.1228 9.1228 9.6528 9.6528 9.7877 9.7877 10.2599 10.2599 10.9366 10.9366 11.8555 11.8555 12.1534 12.1534 12.3795 12.3795 13.0109 13.0109 13.3091 13.3091 13.9501 13.9501 15.3058 15.3058 16.5634 16.5634 17.1230 17.1230 17.2810 17.2810 17.8418 17.8418 k = 0.1016 0.6070 0.4777 ( 4068 PWs) bands (ev): -41.3828 -41.3828 -18.0629 -18.0629 -17.4296 -17.4296 -17.3819 -17.3819 8.9469 8.9469 9.1216 9.1216 9.6570 9.6570 9.7946 9.7946 10.2874 10.2874 10.9167 10.9167 11.8380 11.8380 12.1235 12.1235 12.3575 12.3575 13.0223 13.0223 13.2841 13.2841 13.9599 13.9599 15.4291 15.4291 16.5340 16.5340 17.1216 17.1216 17.2926 17.2926 17.8456 17.8456 k = 0.0871 0.6035 0.4818 ( 4070 PWs) bands (ev): -41.3827 -41.3827 -18.0630 -18.0630 -17.4296 -17.4296 -17.3819 -17.3819 8.9478 8.9478 9.1205 9.1205 9.6592 9.6592 9.8031 9.8031 10.3155 10.3155 10.8938 10.8938 11.8232 11.8232 12.0981 12.0981 12.3366 12.3366 13.0339 13.0339 13.2610 13.2610 13.9686 13.9686 15.5483 15.5483 16.5009 16.5009 17.1194 17.1194 17.3030 17.3030 17.8490 17.8490 k = 0.0726 0.5999 0.4858 ( 4066 PWs) bands (ev): -41.3827 -41.3827 -18.0630 -18.0630 -17.4297 -17.4297 -17.3819 -17.3819 8.9486 8.9486 9.1195 9.1195 9.6599 9.6599 9.8120 9.8120 10.3434 10.3434 10.8690 10.8690 11.8112 11.8112 12.0772 12.0772 12.3175 12.3175 13.0454 13.0454 13.2396 13.2396 13.9760 13.9760 15.6622 15.6622 16.4636 16.4636 17.1167 17.1167 17.3121 17.3121 17.8519 17.8519 k = 0.0581 0.5964 0.4899 ( 4069 PWs) bands (ev): -41.3827 -41.3827 -18.0631 -18.0631 -17.4298 -17.4298 -17.3819 -17.3819 8.9492 8.9492 9.1187 9.1187 9.6597 9.6597 9.8206 9.8206 10.3704 10.3704 10.8436 10.8436 11.8018 11.8018 12.0606 12.0606 12.3007 12.3007 13.0567 13.0567 13.2204 13.2204 13.9822 13.9822 15.7694 15.7694 16.4220 16.4220 17.1137 17.1137 17.3196 17.3196 17.8543 17.8543 k = 0.0435 0.5928 0.4940 ( 4070 PWs) bands (ev): -41.3827 -41.3827 -18.0631 -18.0631 -17.4298 -17.4298 -17.3819 -17.3819 8.9498 8.9498 9.1181 9.1181 9.6591 9.6591 9.8281 9.8281 10.3951 10.3951 10.8194 10.8194 11.7949 11.7949 12.0481 12.0481 12.2868 12.2868 13.0675 13.0675 13.2035 13.2035 13.9871 13.9871 15.8682 15.8682 16.3760 16.3760 17.1110 17.1110 17.3256 17.3256 17.8563 17.8563 k = 0.0290 0.5893 0.4981 ( 4066 PWs) bands (ev): -41.3827 -41.3827 -18.0631 -18.0631 -17.4298 -17.4298 -17.3819 -17.3819 8.9502 8.9502 9.1176 9.1176 9.6585 9.6585 9.8338 9.8338 10.4156 10.4156 10.7989 10.7989 11.7901 11.7901 12.0395 12.0395 12.2764 12.2764 13.0770 13.0770 13.1896 13.1896 13.9906 13.9906 15.9556 15.9556 16.3273 16.3273 17.1087 17.1087 17.3299 17.3299 17.8577 17.8577 k = 0.0145 0.5857 0.5022 ( 4064 PWs) bands (ev): -41.3827 -41.3827 -18.0631 -18.0631 -17.4299 -17.4299 -17.3819 -17.3819 8.9504 8.9504 9.1173 9.1173 9.6581 9.6581 9.8374 9.8374 10.4294 10.4294 10.7849 10.7849 11.7873 11.7873 12.0344 12.0344 12.2700 12.2700 13.0839 13.0839 13.1801 13.1801 13.9927 13.9927 16.0244 16.0244 16.2822 16.2822 17.1071 17.1071 17.3325 17.3325 17.8585 17.8585 k = 0.0000 0.5822 0.5062 ( 4062 PWs) bands (ev): -41.3827 -41.3827 -18.0631 -18.0631 -17.4299 -17.4299 -17.3819 -17.3819 8.9505 8.9505 9.1172 9.1172 9.6579 9.6579 9.8387 9.8387 10.4343 10.4343 10.7799 10.7799 11.7864 11.7864 12.0328 12.0328 12.2678 12.2678 13.0866 13.0866 13.1767 13.1767 13.9934 13.9934 16.0542 16.0542 16.2604 16.2604 17.1066 17.1066 17.3333 17.3333 17.8588 17.8588 k = 0.0000 0.5822 0.5062 ( 4062 PWs) bands (ev): -41.3827 -41.3827 -18.0631 -18.0631 -17.4299 -17.4299 -17.3819 -17.3819 8.9505 8.9505 9.1172 9.1172 9.6579 9.6579 9.8387 9.8387 10.4343 10.4343 10.7799 10.7799 11.7864 11.7864 12.0328 12.0328 12.2678 12.2678 13.0866 13.0866 13.1767 13.1767 13.9934 13.9934 16.0542 16.0542 16.2604 16.2604 17.1066 17.1066 17.3333 17.3333 17.8588 17.8588 k = 0.0054 0.5726 0.5173 ( 4064 PWs) bands (ev): -41.3827 -41.3827 -18.0631 -18.0631 -17.4299 -17.4299 -17.3819 -17.3819 8.9516 8.9516 9.1183 9.1183 9.6576 9.6576 9.8388 9.8388 10.4322 10.4322 10.7829 10.7829 11.7856 11.7856 12.0301 12.0301 12.2701 12.2701 13.0799 13.0799 13.1844 13.1844 13.9928 13.9928 16.0486 16.0486 16.2620 16.2620 17.1077 17.1077 17.3386 17.3386 17.8621 17.8621 k = 0.0109 0.5630 0.5283 ( 4060 PWs) bands (ev): -41.3827 -41.3827 -18.0632 -18.0632 -17.4299 -17.4299 -17.3821 -17.3821 8.9551 8.9551 9.1215 9.1215 9.6565 9.6565 9.8392 9.8392 10.4259 10.4259 10.7915 10.7915 11.7832 11.7832 12.0224 12.0224 12.2765 12.2765 13.0643 13.0643 13.2030 13.2030 13.9911 13.9911 16.0322 16.0322 16.2668 16.2668 17.1109 17.1109 17.3539 17.3539 17.8722 17.8722 k = 0.0163 0.5535 0.5393 ( 4058 PWs) bands (ev): -41.3827 -41.3827 -18.0633 -18.0633 -17.4298 -17.4298 -17.3824 -17.3824 8.9609 8.9609 9.1269 9.1269 9.6549 9.6549 9.8397 9.8397 10.4160 10.4160 10.8052 10.8052 11.7792 11.7792 12.0106 12.0106 12.2862 12.2862 13.0454 13.0454 13.2270 13.2270 13.9882 13.9882 16.0064 16.0064 16.2745 16.2745 17.1155 17.1155 17.3782 17.3782 17.8895 17.8895 k = 0.0217 0.5439 0.5503 ( 4062 PWs) bands (ev): -41.3826 -41.3826 -18.0634 -18.0634 -17.4298 -17.4298 -17.3827 -17.3827 8.9689 8.9689 9.1342 9.1342 9.6527 9.6527 9.8405 9.8405 10.4034 10.4034 10.8233 10.8233 11.7736 11.7736 11.9957 11.9957 12.2981 12.2981 13.0258 13.0258 13.2537 13.2537 13.9843 13.9843 15.9728 15.9728 16.2850 16.2850 17.1213 17.1213 17.4098 17.4098 17.9145 17.9145 k = 0.0272 0.5343 0.5613 ( 4066 PWs) bands (ev): -41.3826 -41.3826 -18.0636 -18.0636 -17.4298 -17.4298 -17.3832 -17.3832 8.9792 8.9792 9.1434 9.1434 9.6502 9.6502 9.8413 9.8413 10.3888 10.3888 10.8452 10.8452 11.7664 11.7664 11.9788 11.9788 12.3114 12.3114 13.0066 13.0066 13.2819 13.2819 13.9793 13.9793 15.9332 15.9332 16.2982 16.2982 17.1277 17.1277 17.4464 17.4464 17.9481 17.9481 k = 0.0326 0.5248 0.5723 ( 4064 PWs) bands (ev): -41.3825 -41.3825 -18.0637 -18.0637 -17.4298 -17.4298 -17.3838 -17.3838 8.9916 8.9916 9.1543 9.1543 9.6474 9.6474 9.8421 9.8421 10.3729 10.3729 10.8701 10.8701 11.7577 11.7577 11.9605 11.9605 12.3252 12.3252 12.9882 12.9882 13.3110 13.3110 13.9735 13.9735 15.8892 15.8892 16.3139 16.3139 17.1347 17.1347 17.4856 17.4856 17.9910 17.9910 k = 0.0380 0.5152 0.5833 ( 4058 PWs) bands (ev): -41.3824 -41.3824 -18.0640 -18.0640 -17.4297 -17.4297 -17.3844 -17.3844 9.0060 9.0060 9.1668 9.1668 9.6445 9.6445 9.8427 9.8427 10.3564 10.3564 10.8977 10.8977 11.7476 11.7476 11.9416 11.9416 12.3390 12.3390 12.9709 12.9709 13.3407 13.3407 13.9670 13.9670 15.8422 15.8422 16.3321 16.3321 17.1422 17.1422 17.5254 17.5254 18.0436 18.0436 k = 0.0435 0.5056 0.5943 ( 4058 PWs) bands (ev): -41.3824 -41.3824 -18.0642 -18.0642 -17.4297 -17.4297 -17.3852 -17.3852 9.0225 9.0225 9.1805 9.1805 9.6418 9.6418 9.8431 9.8431 10.3398 10.3398 10.9274 10.9274 11.7360 11.7360 11.9226 11.9226 12.3523 12.3523 12.9548 12.9548 13.3706 13.3706 13.9599 13.9599 15.7935 15.7935 16.3527 16.3527 17.1500 17.1500 17.5644 17.5644 18.1056 18.1056 k = 0.0489 0.4961 0.6053 ( 4062 PWs) bands (ev): -41.3823 -41.3823 -18.0645 -18.0645 -17.4297 -17.4297 -17.3860 -17.3860 9.0408 9.0408 9.1952 9.1952 9.6394 9.6394 9.8431 9.8431 10.3236 10.3236 10.9592 10.9592 11.7232 11.7232 11.9037 11.9037 12.3649 12.3649 12.9398 12.9398 13.4004 13.4004 13.9525 13.9525 15.7439 15.7439 16.3757 16.3757 17.1581 17.1581 17.6016 17.6016 18.1752 18.1752 k = 0.0543 0.4865 0.6163 ( 4068 PWs) bands (ev): -41.3822 -41.3822 -18.0648 -18.0648 -17.4296 -17.4296 -17.3869 -17.3869 9.0609 9.0609 9.2105 9.2105 9.6377 9.6377 9.8426 9.8426 10.3083 10.3083 10.9926 10.9926 11.7092 11.7092 11.8853 11.8853 12.3765 12.3765 12.9261 12.9261 13.4299 13.4299 13.9450 13.9450 15.6943 15.6943 16.4010 16.4010 17.1665 17.1665 17.6370 17.6370 18.2385 18.2385 k = 0.0598 0.4769 0.6273 ( 4068 PWs) bands (ev): -41.3821 -41.3821 -18.0652 -18.0652 -17.4296 -17.4296 -17.3879 -17.3879 9.0825 9.0825 9.2260 9.2260 9.6369 9.6369 9.8413 9.8413 10.2944 10.2944 11.0275 11.0275 11.6942 11.6942 11.8677 11.8677 12.3870 12.3870 12.9136 12.9136 13.4585 13.4585 13.9378 13.9378 15.6452 15.6452 16.4285 16.4285 17.1751 17.1751 17.6706 17.6706 18.2624 18.2624 k = 0.0652 0.4674 0.6383 ( 4060 PWs) bands (ev): -41.3819 -41.3819 -18.0656 -18.0656 -17.4296 -17.4296 -17.3889 -17.3889 9.1055 9.1055 9.2413 9.2413 9.6373 9.6373 9.8392 9.8392 10.2823 10.2823 11.0638 11.0638 11.6784 11.6784 11.8510 11.8510 12.3963 12.3963 12.9022 12.9022 13.4860 13.4860 13.9314 13.9314 15.5972 15.5972 16.4581 16.4581 17.1838 17.1838 17.7028 17.7028 18.2735 18.2735 k = 0.0707 0.4578 0.6493 ( 4058 PWs) bands (ev): -41.3818 -41.3818 -18.0660 -18.0660 -17.4296 -17.4296 -17.3900 -17.3900 9.1296 9.1296 9.2560 9.2560 9.6392 9.6392 9.8361 9.8361 10.2725 10.2725 11.1012 11.1012 11.6620 11.6620 11.8354 11.8354 12.4044 12.4044 12.8918 12.8918 13.5118 13.5118 13.9262 13.9262 15.5504 15.5504 16.4896 16.4896 17.1924 17.1924 17.7339 17.7339 18.2834 18.2834 k = 0.0761 0.4482 0.6603 ( 4056 PWs) bands (ev): -41.3817 -41.3817 -18.0664 -18.0664 -17.4296 -17.4296 -17.3912 -17.3912 9.1545 9.1545 9.2698 9.2698 9.6427 9.6427 9.8319 9.8319 10.2656 10.2656 11.1397 11.1397 11.6451 11.6451 11.8211 11.8211 12.4113 12.4113 12.8823 12.8823 13.5353 13.5353 13.9228 13.9228 15.5053 15.5053 16.5230 16.5230 17.2010 17.2010 17.7643 17.7643 18.2933 18.2933 k = 0.0815 0.4386 0.6713 ( 4058 PWs) bands (ev): -41.3815 -41.3815 -18.0669 -18.0669 -17.4296 -17.4296 -17.3924 -17.3924 9.1797 9.1797 9.2826 9.2826 9.6478 9.6478 9.8264 9.8264 10.2619 10.2619 11.1788 11.1788 11.6282 11.6282 11.8083 11.8083 12.4170 12.4170 12.8736 12.8736 13.5557 13.5557 13.9220 13.9220 15.4618 15.4618 16.5581 16.5581 17.2093 17.2093 17.7942 17.7942 18.3038 18.3038 k = 0.0870 0.4291 0.6823 ( 4058 PWs) bands (ev): -41.3814 -41.3814 -18.0674 -18.0674 -17.4296 -17.4296 -17.3936 -17.3936 9.2044 9.2044 9.2946 9.2946 9.6545 9.6545 9.8198 9.8198 10.2619 10.2619 11.2184 11.2184 11.6114 11.6114 11.7972 11.7972 12.4215 12.4215 12.8657 12.8657 13.5725 13.5725 13.9245 13.9245 15.4202 15.4202 16.5947 16.5947 17.2173 17.2173 17.8237 17.8237 18.3148 18.3148 k = 0.0924 0.4195 0.6933 ( 4060 PWs) bands (ev): -41.3812 -41.3812 -18.0679 -18.0679 -17.4297 -17.4297 -17.3948 -17.3948 9.2274 9.2274 9.3066 9.3066 9.6623 9.6623 9.8123 9.8123 10.2660 10.2660 11.2581 11.2581 11.5950 11.5950 11.7882 11.7882 12.4251 12.4251 12.8584 12.8584 13.5850 13.5850 13.9308 13.9308 15.3804 15.3804 16.6327 16.6327 17.2248 17.2248 17.8531 17.8531 18.3264 18.3264 k = 0.0978 0.4099 0.7043 ( 4070 PWs) bands (ev): -41.3811 -41.3811 -18.0684 -18.0684 -17.4297 -17.4297 -17.3961 -17.3961 9.2468 9.2468 9.3205 9.3205 9.6706 9.6706 9.8042 9.8042 10.2744 10.2744 11.2971 11.2971 11.5794 11.5794 11.7816 11.7816 12.4277 12.4277 12.8518 12.8518 13.5930 13.5930 13.9413 13.9413 15.3424 15.3424 16.6718 16.6718 17.2319 17.2319 17.8823 17.8823 18.3387 18.3387 k = 0.1033 0.4004 0.7153 ( 4074 PWs) bands (ev): -41.3809 -41.3809 -18.0689 -18.0689 -17.4298 -17.4298 -17.3973 -17.3973 9.2604 9.2604 9.3381 9.3381 9.6783 9.6783 9.7962 9.7962 10.2874 10.2874 11.3347 11.3347 11.5650 11.5650 11.7781 11.7781 12.4295 12.4295 12.8456 12.8456 13.5966 13.5966 13.9559 13.9559 15.3061 15.3061 16.7119 16.7119 17.2385 17.2385 17.9114 17.9114 18.3515 18.3515 k = 0.1087 0.3908 0.7264 ( 4076 PWs) bands (ev): -41.3808 -41.3808 -18.0695 -18.0695 -17.4300 -17.4300 -17.3985 -17.3985 9.2680 9.2680 9.3597 9.3597 9.6842 9.6842 9.7895 9.7895 10.3049 10.3049 11.3695 11.3695 11.5523 11.5523 11.7786 11.7786 12.4307 12.4307 12.8399 12.8399 13.5962 13.5962 13.9743 13.9743 15.2715 15.2715 16.7526 16.7526 17.2446 17.2446 17.9405 17.9405 18.3648 18.3648 k = 0.1141 0.3812 0.7374 ( 4074 PWs) bands (ev): -41.3806 -41.3806 -18.0700 -18.0700 -17.4301 -17.4301 -17.3997 -17.3997 9.2707 9.2707 9.3840 9.3840 9.6866 9.6866 9.7854 9.7854 10.3269 10.3269 11.3999 11.3999 11.5423 11.5423 11.7839 11.7839 12.4313 12.4313 12.8346 12.8346 13.5924 13.5924 13.9958 13.9958 15.2382 15.2382 16.7935 16.7935 17.2504 17.2504 17.9694 17.9694 18.3785 18.3785 k = 0.1196 0.3717 0.7484 ( 4070 PWs) bands (ev): -41.3804 -41.3804 -18.0706 -18.0706 -17.4304 -17.4304 -17.4009 -17.4009 9.2702 9.2702 9.4095 9.4095 9.6846 9.6846 9.7849 9.7849 10.3532 10.3532 11.4234 11.4234 11.5362 11.5362 11.7953 11.7953 12.4315 12.4315 12.8298 12.8298 13.5861 13.5861 14.0197 14.0197 15.2062 15.2062 16.8341 16.8341 17.2562 17.2562 17.9982 17.9982 18.3926 18.3926 k = 0.1250 0.3621 0.7594 ( 4070 PWs) bands (ev): -41.3803 -41.3803 -18.0712 -18.0712 -17.4306 -17.4306 -17.4021 -17.4021 9.2675 9.2675 9.4350 9.4350 9.6781 9.6781 9.7879 9.7879 10.3834 10.3834 11.4380 11.4380 11.5352 11.5352 11.8137 11.8137 12.4315 12.4315 12.8255 12.8255 13.5777 13.5777 14.0455 14.0455 15.1753 15.1753 16.8737 16.8737 17.2623 17.2623 18.0269 18.0269 18.4069 18.4069 k = 0.1304 0.3525 0.7704 ( 4066 PWs) bands (ev): -41.3801 -41.3801 -18.0718 -18.0718 -17.4309 -17.4309 -17.4031 -17.4031 9.2632 9.2632 9.4596 9.4596 9.6686 9.6686 9.7934 9.7934 10.4170 10.4170 11.4436 11.4436 11.5386 11.5386 11.8397 11.8397 12.4315 12.4315 12.8216 12.8216 13.5680 13.5680 14.0726 14.0726 15.1451 15.1451 16.9113 16.9113 17.2696 17.2696 18.0554 18.0554 18.4214 18.4214 k = 0.1359 0.3429 0.7814 ( 4072 PWs) bands (ev): -41.3799 -41.3799 -18.0723 -18.0723 -17.4313 -17.4313 -17.4041 -17.4041 9.2578 9.2578 9.4825 9.4825 9.6575 9.6575 9.8005 9.8005 10.4537 10.4537 11.4432 11.4432 11.5439 11.5439 11.8729 11.8729 12.4316 12.4316 12.8182 12.8182 13.5575 13.5575 14.1006 14.1006 15.1155 15.1155 16.9457 16.9457 17.2792 17.2792 18.0836 18.0836 18.4359 18.4359 k = 0.1413 0.3334 0.7924 ( 4070 PWs) bands (ev): -41.3798 -41.3798 -18.0729 -18.0729 -17.4317 -17.4317 -17.4051 -17.4051 9.2517 9.2517 9.5027 9.5027 9.6467 9.6467 9.8082 9.8082 10.4927 10.4927 11.4399 11.4399 11.5487 11.5487 11.9124 11.9124 12.4320 12.4320 12.8154 12.8154 13.5466 13.5466 14.1290 14.1290 15.0863 15.0863 16.9753 16.9753 17.2923 17.2923 18.1116 18.1116 18.4503 18.4503 k = 0.1467 0.3238 0.8034 ( 4068 PWs) bands (ev): -41.3796 -41.3796 -18.0735 -18.0735 -17.4322 -17.4322 -17.4060 -17.4060 9.2450 9.2450 9.5187 9.5187 9.6379 9.6379 9.8161 9.8161 10.5336 10.5336 11.4356 11.4356 11.5521 11.5521 11.9571 11.9571 12.4329 12.4329 12.8132 12.8132 13.5356 13.5356 14.1576 14.1576 15.0571 15.0571 16.9983 16.9983 17.3104 17.3104 18.1392 18.1392 18.4645 18.4645 k = 0.1522 0.3142 0.8144 ( 4066 PWs) bands (ev): -41.3794 -41.3794 -18.0741 -18.0741 -17.4327 -17.4327 -17.4068 -17.4068 9.2381 9.2381 9.5284 9.5284 9.6335 9.6335 9.8240 9.8240 10.5757 10.5757 11.4314 11.4314 11.5540 11.5540 12.0056 12.0056 12.4346 12.4346 12.8116 12.8116 13.5249 13.5249 14.1862 14.1862 15.0278 15.0278 17.0136 17.0136 17.3347 17.3347 18.1665 18.1665 18.4783 18.4783 k = 0.1576 0.3047 0.8254 ( 4066 PWs) bands (ev): -41.3793 -41.3793 -18.0746 -18.0746 -17.4332 -17.4332 -17.4075 -17.4075 9.2311 9.2311 9.5304 9.5304 9.6350 9.6350 9.8318 9.8318 10.6185 10.6185 11.4278 11.4278 11.5546 11.5546 12.0569 12.0569 12.4371 12.4371 12.8106 12.8106 13.5148 13.5148 14.2145 14.2145 14.9982 14.9982 17.0210 17.0210 17.3652 17.3652 18.1933 18.1933 18.4917 18.4917 k = 0.1630 0.2951 0.8364 ( 4062 PWs) bands (ev): -41.3791 -41.3791 -18.0752 -18.0752 -17.4338 -17.4338 -17.4081 -17.4081 9.2240 9.2240 9.5256 9.5256 9.6417 9.6417 9.8394 9.8394 10.6614 10.6614 11.4251 11.4251 11.5541 11.5541 12.1101 12.1101 12.4407 12.4407 12.8103 12.8103 13.5055 13.5055 14.2424 14.2424 14.9681 14.9681 17.0208 17.0208 17.4013 17.4013 18.2196 18.2196 18.5045 18.5045 k = 0.1685 0.2855 0.8474 ( 4064 PWs) bands (ev): -41.3790 -41.3790 -18.0757 -18.0757 -17.4344 -17.4344 -17.4087 -17.4087 9.2171 9.2171 9.5164 9.5164 9.6514 9.6514 9.8468 9.8468 10.7039 10.7039 11.4233 11.4233 11.5527 11.5527 12.1644 12.1644 12.4455 12.4455 12.8107 12.8107 13.4972 13.4972 14.2697 14.2697 14.9373 14.9373 17.0143 17.0143 17.4418 17.4418 18.2453 18.2453 18.5167 18.5167 k = 0.1739 0.2760 0.8584 ( 4062 PWs) bands (ev): -41.3788 -41.3788 -18.0762 -18.0762 -17.4351 -17.4351 -17.4092 -17.4092 9.2103 9.2103 9.5048 9.5048 9.6621 9.6621 9.8539 9.8539 10.7456 10.7456 11.4226 11.4226 11.5506 11.5506 12.2188 12.2188 12.4517 12.4517 12.8119 12.8119 13.4901 13.4901 14.2962 14.2962 14.9058 14.9058 17.0026 17.0026 17.4855 17.4855 18.2703 18.2703 18.5282 18.5282 k = 0.1793 0.2664 0.8694 ( 4060 PWs) bands (ev): -41.3787 -41.3787 -18.0767 -18.0767 -17.4357 -17.4357 -17.4096 -17.4096 9.2037 9.2037 9.4924 9.4924 9.6726 9.6726 9.8608 9.8608 10.7858 10.7858 11.4229 11.4229 11.5479 11.5479 12.2725 12.2725 12.4597 12.4597 12.8137 12.8137 13.4845 13.4845 14.3220 14.3220 14.8736 14.8736 16.9867 16.9867 17.5313 17.5313 18.2943 18.2943 18.5389 18.5389 k = 0.1848 0.2568 0.8804 ( 4056 PWs) bands (ev): -41.3786 -41.3786 -18.0772 -18.0772 -17.4364 -17.4364 -17.4100 -17.4100 9.1975 9.1975 9.4797 9.4797 9.6824 9.6824 9.8673 9.8673 10.8244 10.8244 11.4241 11.4241 11.5446 11.5446 12.3243 12.3243 12.4700 12.4700 12.8162 12.8162 13.4804 13.4804 14.3467 14.3467 14.8406 14.8406 16.9676 16.9676 17.5783 17.5783 18.3173 18.3173 18.5489 18.5489 k = 0.1902 0.2472 0.8914 ( 4056 PWs) bands (ev): -41.3785 -41.3785 -18.0776 -18.0776 -17.4370 -17.4370 -17.4103 -17.4103 9.1917 9.1917 9.4672 9.4672 9.6913 9.6913 9.8735 9.8735 10.8608 10.8608 11.4262 11.4262 11.5407 11.5407 12.3721 12.3721 12.4839 12.4839 12.8194 12.8194 13.4780 13.4780 14.3704 14.3704 14.8071 14.8071 16.9461 16.9461 17.6258 17.6258 18.3389 18.3389 18.5582 18.5582 k = 0.1957 0.2377 0.9024 ( 4048 PWs) bands (ev): -41.3784 -41.3784 -18.0780 -18.0780 -17.4376 -17.4376 -17.4105 -17.4105 9.1863 9.1863 9.4554 9.4554 9.6991 9.6991 9.8792 9.8792 10.8950 10.8950 11.4290 11.4290 11.5364 11.5364 12.4124 12.4124 12.5041 12.5041 12.8229 12.8229 13.4774 13.4774 14.3928 14.3928 14.7732 14.7732 16.9229 16.9229 17.6731 17.6731 18.3588 18.3588 18.5671 18.5671 k = 0.2011 0.2281 0.9134 ( 4050 PWs) bands (ev): -41.3783 -41.3783 -18.0784 -18.0784 -17.4382 -17.4382 -17.4108 -17.4108 9.1813 9.1813 9.4442 9.4442 9.7059 9.7059 9.8844 9.8844 10.9265 10.9265 11.4323 11.4323 11.5316 11.5316 12.4417 12.4417 12.5332 12.5332 12.8268 12.8268 13.4787 13.4787 14.4138 14.4138 14.7394 14.7394 16.8988 16.8988 17.7196 17.7196 18.3766 18.3766 18.5757 18.5757 k = 0.2065 0.2185 0.9244 ( 4046 PWs) bands (ev): -41.3782 -41.3782 -18.0788 -18.0788 -17.4387 -17.4387 -17.4109 -17.4109 9.1768 9.1768 9.4339 9.4339 9.7117 9.7117 9.8891 9.8891 10.9552 10.9552 11.4361 11.4361 11.5265 11.5265 12.4612 12.4612 12.5696 12.5696 12.8308 12.8308 13.4817 13.4817 14.4333 14.4333 14.7059 14.7059 16.8744 16.8744 17.7646 17.7646 18.3918 18.3918 18.5843 18.5843 k = 0.2120 0.2090 0.9355 ( 4052 PWs) bands (ev): -41.3781 -41.3781 -18.0791 -18.0791 -17.4392 -17.4392 -17.4111 -17.4111 9.1727 9.1727 9.4246 9.4246 9.7166 9.7166 9.8932 9.8932 10.9809 10.9809 11.4402 11.4402 11.5212 11.5212 12.4746 12.4746 12.6083 12.6083 12.8345 12.8345 13.4863 13.4863 14.4510 14.4510 14.6735 14.6735 16.8506 16.8506 17.8076 17.8076 18.4040 18.4040 18.5930 18.5930 k = 0.2174 0.1994 0.9465 ( 4050 PWs) bands (ev): -41.3780 -41.3780 -18.0794 -18.0794 -17.4397 -17.4397 -17.4112 -17.4112 9.1692 9.1692 9.4164 9.4164 9.7207 9.7207 9.8968 9.8968 11.0035 11.0035 11.4445 11.4445 11.5157 11.5157 12.4848 12.4848 12.6459 12.6459 12.8376 12.8376 13.4923 13.4923 14.4669 14.4669 14.6428 14.6428 16.8280 16.8280 17.8478 17.8478 18.4131 18.4131 18.6019 18.6019 k = 0.2228 0.1898 0.9575 ( 4056 PWs) bands (ev): -41.3779 -41.3779 -18.0796 -18.0796 -17.4401 -17.4401 -17.4113 -17.4113 9.1663 9.1663 9.4094 9.4094 9.7240 9.7240 9.8998 9.8998 11.0230 11.0230 11.4488 11.4488 11.5101 11.5101 12.4929 12.4929 12.6807 12.6807 12.8397 12.8397 13.4990 13.4990 14.4806 14.4806 14.6146 14.6146 16.8073 16.8073 17.8843 17.8843 18.4191 18.4191 18.6110 18.6110 k = 0.2283 0.1803 0.9685 ( 4058 PWs) bands (ev): -41.3779 -41.3779 -18.0798 -18.0798 -17.4404 -17.4404 -17.4114 -17.4114 9.1638 9.1638 9.4035 9.4035 9.7266 9.7266 9.9022 9.9022 11.0390 11.0390 11.4531 11.4531 11.5048 11.5048 12.4993 12.4993 12.7117 12.7117 12.8406 12.8406 13.5061 13.5061 14.4920 14.4920 14.5898 14.5898 16.7893 16.7893 17.9163 17.9163 18.4223 18.4223 18.6197 18.6197 k = 0.2337 0.1707 0.9795 ( 4058 PWs) bands (ev): -41.3779 -41.3779 -18.0799 -18.0799 -17.4407 -17.4407 -17.4114 -17.4114 9.1619 9.1619 9.3989 9.3989 9.7286 9.7286 9.9041 9.9041 11.0516 11.0516 11.4571 11.4571 11.4999 11.4999 12.5042 12.5042 12.7379 12.7379 12.8400 12.8400 13.5126 13.5126 14.5008 14.5008 14.5696 14.5696 16.7746 16.7746 17.9428 17.9428 18.4234 18.4234 18.6275 18.6275 k = 0.2391 0.1611 0.9905 ( 4060 PWs) bands (ev): -41.3778 -41.3778 -18.0800 -18.0800 -17.4408 -17.4408 -17.4115 -17.4115 9.1605 9.1605 9.3956 9.3956 9.7300 9.7300 9.9054 9.9054 11.0607 11.0607 11.4606 11.4606 11.4957 11.4957 12.5076 12.5076 12.7587 12.7587 12.8380 12.8380 13.5179 13.5179 14.5068 14.5068 14.5548 14.5548 16.7637 16.7637 17.9627 17.9627 18.4233 18.4233 18.6337 18.6337 k = 0.2446 0.1515 1.0015 ( 4062 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4409 -17.4409 -17.4115 -17.4115 9.1597 9.1597 9.3936 9.3936 9.7309 9.7309 9.9062 9.9062 11.0662 11.0662 11.4631 11.4631 11.4927 11.4927 12.5097 12.5097 12.7727 12.7727 12.8355 12.8355 13.5215 13.5215 14.5099 14.5099 14.5461 14.5461 16.7570 16.7570 17.9751 17.9751 18.4227 18.4227 18.6377 18.6377 k = 0.2500 0.1420 1.0125 ( 4068 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 9.1594 9.1594 9.3930 9.3930 9.7312 9.7312 9.9065 9.9065 11.0680 11.0680 11.4641 11.4641 11.4915 11.4915 12.5104 12.5104 12.7779 12.7779 12.8342 12.8342 13.5227 13.5227 14.5108 14.5108 14.5434 14.5434 16.7547 16.7547 17.9793 17.9793 18.4225 18.4225 18.6391 18.6391 k = 0.2500 0.1420 1.0125 ( 4068 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 9.1594 9.1594 9.3930 9.3930 9.7312 9.7312 9.9065 9.9065 11.0680 11.0680 11.4641 11.4641 11.4915 11.4915 12.5104 12.5104 12.7779 12.7779 12.8342 12.8342 13.5227 13.5227 14.5108 14.5108 14.5434 14.5434 16.7547 16.7547 17.9793 17.9793 18.4225 18.4225 18.6391 18.6391 k = 0.2614 0.1484 1.0051 ( 4065 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 9.1548 9.1548 9.3982 9.3982 9.7304 9.7304 9.9077 9.9077 11.0666 11.0666 11.4557 11.4557 11.4998 11.4998 12.5107 12.5107 12.7763 12.7763 12.8349 12.8349 13.5221 13.5221 14.5082 14.5082 14.5475 14.5475 16.7561 16.7561 17.9782 17.9782 18.3867 18.3867 18.6763 18.6763 k = 0.2727 0.1549 0.9976 ( 4058 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 9.1423 9.1423 9.4126 9.4126 9.7283 9.7283 9.9111 9.9111 11.0622 11.0622 11.4410 11.4410 11.5144 11.5144 12.5116 12.5116 12.7717 12.7717 12.8370 12.8370 13.5205 13.5205 14.5015 14.5015 14.5585 14.5585 16.7602 16.7602 17.9742 17.9742 18.3163 18.3163 18.7509 18.7509 k = 0.2841 0.1613 0.9902 ( 4055 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4409 -17.4409 -17.4115 -17.4115 9.1244 9.1244 9.4337 9.4337 9.7250 9.7250 9.9166 9.9166 11.0549 11.0549 11.4253 11.4253 11.5297 11.5297 12.5133 12.5133 12.7645 12.7645 12.8400 12.8400 13.5180 13.5180 14.4926 14.4926 14.5745 14.5745 16.7671 16.7671 17.9653 17.9653 18.2420 18.2420 18.8316 18.8316 k = 0.2955 0.1678 0.9828 ( 4054 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4408 -17.4408 -17.4115 -17.4115 9.1036 9.1036 9.4590 9.4590 9.7210 9.7210 9.9238 9.9238 11.0450 11.0450 11.4098 11.4098 11.5446 11.5446 12.5156 12.5156 12.7548 12.7548 12.8434 12.8434 13.5147 13.5147 14.4823 14.4823 14.5944 14.5944 16.7764 16.7764 17.9480 17.9480 18.1750 18.1750 18.9071 18.9071 k = 0.3068 0.1742 0.9754 ( 4048 PWs) bands (ev): -41.3778 -41.3778 -18.0800 -18.0800 -17.4408 -17.4408 -17.4115 -17.4115 9.0815 9.0815 9.4866 9.4866 9.7165 9.7165 9.9324 9.9324 11.0324 11.0324 11.3946 11.3946 11.5589 11.5589 12.5185 12.5185 12.7432 12.7432 12.8470 12.8470 13.5107 13.5107 14.4709 14.4709 14.6177 14.6177 16.7882 16.7882 17.9171 17.9171 18.1229 18.1229 18.9685 18.9685 k = 0.3182 0.1807 0.9680 ( 4048 PWs) bands (ev): -41.3778 -41.3778 -18.0800 -18.0800 -17.4407 -17.4407 -17.4114 -17.4114 9.0592 9.0592 9.5154 9.5154 9.7119 9.7119 9.9420 9.9420 11.0176 11.0176 11.3799 11.3799 11.5722 11.5722 12.5220 12.5220 12.7298 12.7298 12.8506 12.8506 13.5062 13.5062 14.4581 14.4581 14.6443 14.6443 16.8020 16.8020 17.8703 17.8703 18.0889 18.0889 19.0063 19.0063 k = 0.3295 0.1872 0.9605 ( 4049 PWs) bands (ev): -41.3779 -41.3779 -18.0799 -18.0799 -17.4406 -17.4406 -17.4114 -17.4114 9.0375 9.0375 9.5444 9.5444 9.7075 9.7075 9.9526 9.9526 11.0007 11.0007 11.3657 11.3657 11.5846 11.5846 12.5259 12.5259 12.7149 12.7149 12.8540 12.8540 13.5013 13.5013 14.4441 14.4441 14.6739 14.6739 16.8176 16.8176 17.8121 17.8121 18.0694 18.0694 19.0153 19.0153 k = 0.3409 0.1936 0.9531 ( 4041 PWs) bands (ev): -41.3779 -41.3779 -18.0798 -18.0798 -17.4404 -17.4404 -17.4114 -17.4114 9.0168 9.0168 9.5728 9.5728 9.7038 9.7038 9.9637 9.9637 10.9820 10.9820 11.3520 11.3520 11.5959 11.5959 12.5301 12.5301 12.6987 12.6987 12.8572 12.8572 13.4960 13.4960 14.4288 14.4288 14.7063 14.7063 16.8346 16.8346 17.7489 17.7489 18.0582 18.0582 19.0001 19.0002 k = 0.3523 0.2001 0.9457 ( 4047 PWs) bands (ev): -41.3779 -41.3779 -18.0797 -18.0797 -17.4403 -17.4403 -17.4114 -17.4114 8.9975 8.9975 9.5995 9.5995 9.7014 9.7014 9.9753 9.9753 10.9619 10.9619 11.3389 11.3389 11.6061 11.6061 12.5343 12.5343 12.6814 12.6814 12.8601 12.8601 13.4903 13.4903 14.4120 14.4120 14.7413 14.7413 16.8525 16.8525 17.6850 17.6850 18.0513 18.0513 18.9705 18.9705 k = 0.3636 0.2065 0.9383 ( 4049 PWs) bands (ev): -41.3779 -41.3779 -18.0796 -18.0796 -17.4401 -17.4401 -17.4113 -17.4113 8.9798 8.9798 9.6230 9.6230 9.7016 9.7016 9.9871 9.9871 10.9407 10.9407 11.3263 11.3263 11.6150 11.6150 12.5381 12.5381 12.6637 12.6637 12.8628 12.8628 13.4844 13.4844 14.3938 14.3938 14.7787 14.7787 16.8708 16.8708 17.6228 17.6228 18.0469 18.0469 18.9344 18.9344 k = 0.3750 0.2130 0.9309 ( 4047 PWs) bands (ev): -41.3780 -41.3780 -18.0795 -18.0795 -17.4400 -17.4400 -17.4113 -17.4113 8.9638 8.9638 9.6409 9.6409 9.7064 9.7064 9.9990 9.9990 10.9186 10.9186 11.3143 11.3143 11.6228 11.6228 12.5406 12.5406 12.6463 12.6463 12.8652 12.8652 13.4784 13.4784 14.3742 14.3742 14.8180 14.8180 16.8891 16.8891 17.5635 17.5635 18.0437 18.0437 18.8968 18.8968 k = 0.3864 0.2194 0.9234 ( 4049 PWs) bands (ev): -41.3780 -41.3780 -18.0794 -18.0794 -17.4398 -17.4398 -17.4113 -17.4113 8.9499 8.9499 9.6513 9.6513 9.7177 9.7177 10.0108 10.0108 10.8960 10.8960 11.3029 11.3029 11.6293 11.6293 12.5404 12.5404 12.6306 12.6306 12.8672 12.8672 13.4721 13.4721 14.3532 14.3532 14.8590 14.8590 16.9067 16.9067 17.5081 17.5081 18.0415 18.0415 18.8606 18.8606 k = 0.3977 0.2259 0.9160 ( 4055 PWs) bands (ev): -41.3780 -41.3780 -18.0793 -18.0793 -17.4395 -17.4395 -17.4112 -17.4112 8.9379 8.9379 9.6554 9.6554 9.7338 9.7338 10.0222 10.0222 10.8733 10.8733 11.2922 11.2922 11.6346 11.6346 12.5354 12.5354 12.6188 12.6188 12.8689 12.8689 13.4658 13.4658 14.3310 14.3310 14.9014 14.9014 16.9232 16.9232 17.4571 17.4571 18.0398 18.0398 18.8277 18.8277 k = 0.4091 0.2323 0.9086 ( 4060 PWs) bands (ev): -41.3780 -41.3780 -18.0792 -18.0792 -17.4393 -17.4393 -17.4112 -17.4112 8.9281 8.9281 9.6563 9.6563 9.7515 9.7515 10.0331 10.0331 10.8507 10.8507 11.2822 11.2822 11.6386 11.6386 12.5239 12.5239 12.6126 12.6126 12.8702 12.8702 13.4594 13.4594 14.3076 14.3076 14.9446 14.9446 16.9382 16.9382 17.4110 17.4110 18.0386 18.0386 18.7994 18.7994 k = 0.4205 0.2388 0.9012 ( 4057 PWs) bands (ev): -41.3781 -41.3781 -18.0790 -18.0790 -17.4391 -17.4391 -17.4112 -17.4112 8.9205 8.9205 9.6559 9.6559 9.7687 9.7687 10.0431 10.0431 10.8286 10.8286 11.2731 11.2731 11.6414 11.6414 12.5064 12.5064 12.6115 12.6115 12.8712 12.8712 13.4530 13.4530 14.2832 14.2832 14.9883 14.9883 16.9513 16.9513 17.3700 17.3700 18.0379 18.0379 18.7765 18.7765 k = 0.4318 0.2452 0.8937 ( 4051 PWs) bands (ev): -41.3781 -41.3781 -18.0789 -18.0789 -17.4388 -17.4388 -17.4111 -17.4111 8.9151 8.9151 9.6551 9.6551 9.7843 9.7843 10.0520 10.0520 10.8073 10.8073 11.2649 11.2649 11.6430 11.6430 12.4846 12.4846 12.6137 12.6137 12.8717 12.8717 13.4467 13.4467 14.2580 14.2580 15.0321 15.0321 16.9622 16.9622 17.3346 17.3346 18.0377 18.0377 18.7596 18.7596 k = 0.4432 0.2517 0.8863 ( 4055 PWs) bands (ev): -41.3782 -41.3782 -18.0787 -18.0787 -17.4385 -17.4385 -17.4111 -17.4111 8.9120 8.9120 9.6543 9.6543 9.7977 9.7977 10.0594 10.0594 10.7873 10.7873 11.2576 11.2576 11.6433 11.6433 12.4604 12.4604 12.6174 12.6174 12.8717 12.8717 13.4405 13.4405 14.2321 14.2321 15.0754 15.0754 16.9710 16.9710 17.3048 17.3048 18.0380 18.0380 18.7487 18.7487 k = 0.4545 0.2581 0.8789 ( 4055 PWs) bands (ev): -41.3782 -41.3782 -18.0785 -18.0785 -17.4382 -17.4382 -17.4110 -17.4110 8.9112 8.9112 9.6538 9.6538 9.8088 9.8088 10.0651 10.0651 10.7687 10.7687 11.2513 11.2513 11.6424 11.6424 12.4346 12.4346 12.6218 12.6218 12.8713 12.8713 13.4346 13.4346 14.2057 14.2057 15.1178 15.1178 16.9778 16.9778 17.2810 17.2810 18.0391 18.0391 18.7438 18.7438 k = 0.4659 0.2646 0.8715 ( 4059 PWs) bands (ev): -41.3783 -41.3783 -18.0784 -18.0784 -17.4379 -17.4379 -17.4110 -17.4110 8.9127 8.9127 9.6535 9.6535 9.8172 9.8172 10.0687 10.0687 10.7520 10.7520 11.2459 11.2459 11.6403 11.6403 12.4079 12.4079 12.6260 12.6260 12.8703 12.8703 13.4291 13.4291 14.1792 14.1792 15.1589 15.1589 16.9828 16.9828 17.2630 17.2630 18.0411 18.0411 18.7446 18.7446 k = 0.4773 0.2710 0.8641 ( 4063 PWs) bands (ev): -41.3783 -41.3783 -18.0782 -18.0782 -17.4376 -17.4376 -17.4109 -17.4109 8.9164 8.9164 9.6537 9.6537 9.8229 9.8229 10.0699 10.0699 10.7372 10.7372 11.2416 11.2416 11.6370 11.6370 12.3806 12.3806 12.6298 12.6298 12.8688 12.8688 13.4240 13.4240 14.1528 14.1528 15.1982 15.1982 16.9863 16.9863 17.2511 17.2511 18.0441 18.0441 18.7503 18.7503 k = 0.4886 0.2775 0.8566 ( 4060 PWs) bands (ev): -41.3784 -41.3784 -18.0780 -18.0780 -17.4372 -17.4372 -17.4109 -17.4109 8.9224 8.9224 9.6542 9.6542 9.8259 9.8259 10.0687 10.0687 10.7245 10.7245 11.2382 11.2382 11.6324 11.6324 12.3532 12.3532 12.6326 12.6326 12.8668 12.8668 13.4194 13.4194 14.1266 14.1266 15.2354 15.2354 16.9889 16.9889 17.2449 17.2449 18.0486 18.0486 18.7599 18.7599 k = 0.5000 0.2840 0.8492 ( 4068 PWs) bands (ev): -41.3784 -41.3784 -18.0778 -18.0778 -17.4369 -17.4369 -17.4108 -17.4108 8.9307 8.9307 9.6551 9.6551 9.8261 9.8261 10.0648 10.0648 10.7140 10.7140 11.2358 11.2358 11.6266 11.6266 12.3258 12.3258 12.6343 12.6343 12.8642 12.8642 13.4155 13.4155 14.1012 14.1012 15.2701 15.2701 16.9909 16.9909 17.2444 17.2444 18.0548 18.0548 18.7720 18.7720 k = 0.5000 0.2840 0.8492 ( 4068 PWs) bands (ev): -41.3784 -41.3784 -18.0778 -18.0778 -17.4369 -17.4369 -17.4108 -17.4108 8.9307 8.9307 9.6551 9.6551 9.8261 9.8261 10.0648 10.0648 10.7140 10.7140 11.2358 11.2358 11.6266 11.6266 12.3258 12.3258 12.6343 12.6343 12.8642 12.8642 13.4155 13.4155 14.1012 14.1012 15.2701 15.2701 16.9909 16.9909 17.2444 17.2444 18.0548 18.0548 18.7720 18.7720 k = 0.5000 0.2840 0.8338 ( 4072 PWs) bands (ev): -41.3785 -41.3785 -18.0773 -18.0773 -17.4361 -17.4361 -17.4107 -17.4107 8.9507 8.9507 9.6575 9.6575 9.8234 9.8234 10.0534 10.0534 10.6939 10.6939 11.2306 11.2306 11.6127 11.6127 12.2690 12.2690 12.6363 12.6363 12.8586 12.8586 13.4077 13.4077 14.0495 14.0495 15.3406 15.3406 16.9951 16.9951 17.2494 17.2494 18.0706 18.0706 18.7948 18.7948 k = 0.5000 0.2840 0.8183 ( 4066 PWs) bands (ev): -41.3787 -41.3787 -18.0768 -18.0768 -17.4352 -17.4352 -17.4105 -17.4105 8.9717 8.9717 9.6600 9.6600 9.8203 9.8203 10.0409 10.0409 10.6729 10.6729 11.2229 11.2229 11.5980 11.5980 12.2125 12.2125 12.6378 12.6378 12.8537 12.8537 13.3991 13.3991 13.9992 13.9992 15.4125 15.4125 16.9995 16.9995 17.2549 17.2549 18.0882 18.0882 18.8090 18.8090 k = 0.5000 0.2840 0.8029 ( 4066 PWs) bands (ev): -41.3788 -41.3788 -18.0763 -18.0763 -17.4343 -17.4343 -17.4104 -17.4104 8.9936 8.9936 9.6625 9.6625 9.8167 9.8167 10.0274 10.0274 10.6511 10.6511 11.2125 11.2125 11.5828 11.5828 12.1571 12.1571 12.6390 12.6390 12.8497 12.8497 13.3895 13.3895 13.9510 13.9510 15.4852 15.4852 17.0042 17.0042 17.2608 17.2608 18.1076 18.1076 18.8135 18.8135 k = 0.5000 0.2840 0.7875 ( 4070 PWs) bands (ev): -41.3789 -41.3789 -18.0758 -18.0758 -17.4333 -17.4333 -17.4102 -17.4102 9.0160 9.0160 9.6650 9.6650 9.8123 9.8123 10.0131 10.0131 10.6284 10.6284 11.1989 11.1989 11.5671 11.5671 12.1034 12.1034 12.6400 12.6400 12.8468 12.8468 13.3789 13.3789 13.9053 13.9053 15.5582 15.5582 17.0091 17.0091 17.2671 17.2671 18.1288 18.1288 18.8074 18.8074 k = 0.5000 0.2840 0.7720 ( 4066 PWs) bands (ev): -41.3791 -41.3791 -18.0752 -18.0752 -17.4323 -17.4323 -17.4101 -17.4101 9.0389 9.0389 9.6673 9.6673 9.8072 9.8072 9.9982 9.9982 10.6046 10.6046 11.1821 11.1821 11.5513 11.5513 12.0521 12.0521 12.6411 12.6411 12.8450 12.8450 13.3672 13.3672 13.8627 13.8627 15.6308 15.6308 17.0143 17.0143 17.2738 17.2738 18.1518 18.1518 18.7875 18.7875 k = 0.5000 0.2840 0.7566 ( 4062 PWs) bands (ev): -41.3793 -41.3793 -18.0745 -18.0745 -17.4312 -17.4312 -17.4099 -17.4099 9.0619 9.0619 9.6692 9.6692 9.8010 9.8010 9.9830 9.9830 10.5795 10.5795 11.1618 11.1618 11.5356 11.5356 12.0036 12.0036 12.6426 12.6426 12.8444 12.8444 13.3543 13.3543 13.8235 13.8235 15.7025 15.7025 17.0196 17.0196 17.2809 17.2809 18.1763 18.1763 18.7397 18.7397 k = 0.5000 0.2840 0.7411 ( 4060 PWs) bands (ev): -41.3794 -41.3794 -18.0739 -18.0739 -17.4300 -17.4300 -17.4097 -17.4097 9.0849 9.0849 9.6707 9.6707 9.7937 9.7937 9.9680 9.9680 10.5531 10.5531 11.1379 11.1379 11.5204 11.5204 11.9585 11.9585 12.6449 12.6449 12.8447 12.8447 13.3403 13.3403 13.7877 13.7877 15.7730 15.7730 17.0249 17.0249 17.2883 17.2883 18.2015 18.2015 18.6445 18.6445 k = 0.5000 0.2840 0.7257 ( 4060 PWs) bands (ev): -41.3796 -41.3796 -18.0732 -18.0732 -17.4288 -17.4288 -17.4095 -17.4095 9.1075 9.1075 9.6714 9.6714 9.7852 9.7852 9.9533 9.9533 10.5252 10.5252 11.1107 11.1107 11.5059 11.5059 11.9170 11.9170 12.6484 12.6484 12.8458 12.8458 13.3252 13.3252 13.7555 13.7555 15.8417 15.8417 17.0302 17.0302 17.2960 17.2960 18.2252 18.2252 18.5319 18.5319 k = 0.5000 0.2840 0.7103 ( 4064 PWs) bands (ev): -41.3798 -41.3798 -18.0725 -18.0725 -17.4275 -17.4275 -17.4093 -17.4093 9.1295 9.1295 9.6709 9.6709 9.7756 9.7756 9.9393 9.9393 10.4957 10.4957 11.0802 11.0802 11.4925 11.4925 11.8793 11.8793 12.6534 12.6534 12.8476 12.8476 13.3089 13.3089 13.7266 13.7266 15.9082 15.9082 17.0353 17.0353 17.3039 17.3039 18.2381 18.2381 18.4294 18.4294 k = 0.5000 0.2840 0.6948 ( 4054 PWs) bands (ev): -41.3800 -41.3800 -18.0718 -18.0718 -17.4262 -17.4262 -17.4091 -17.4091 9.1507 9.1507 9.6686 9.6686 9.7649 9.7649 9.9264 9.9264 10.4645 10.4645 11.0469 11.0469 11.4806 11.4806 11.8454 11.8454 12.6601 12.6601 12.8499 12.8499 13.2918 13.2918 13.7011 13.7011 15.9721 15.9721 17.0401 17.0401 17.3121 17.3121 18.2071 18.2071 18.3739 18.3739 k = 0.5000 0.2840 0.6794 ( 4058 PWs) bands (ev): -41.3802 -41.3802 -18.0710 -18.0710 -17.4249 -17.4249 -17.4088 -17.4088 9.1707 9.1707 9.6640 9.6640 9.7537 9.7537 9.9145 9.9145 10.4319 10.4319 11.0113 11.0113 11.4703 11.4703 11.8151 11.8151 12.6687 12.6687 12.8526 12.8526 13.2739 13.2739 13.6785 13.6785 16.0330 16.0330 17.0442 17.0442 17.3205 17.3205 18.1201 18.1201 18.3769 18.3769 k = 0.5000 0.2840 0.6639 ( 4062 PWs) bands (ev): -41.3804 -41.3804 -18.0702 -18.0702 -17.4235 -17.4235 -17.4086 -17.4086 9.1895 9.1895 9.6564 9.6564 9.7422 9.7422 9.9039 9.9039 10.3979 10.3979 10.9741 10.9741 11.4618 11.4618 11.7884 11.7884 12.6792 12.6792 12.8555 12.8555 13.2553 13.2553 13.6587 13.6587 16.0908 16.0908 17.0474 17.0474 17.3291 17.3291 18.0169 18.0169 18.3937 18.3937 k = 0.5000 0.2840 0.6485 ( 4062 PWs) bands (ev): -41.3806 -41.3806 -18.0694 -18.0694 -17.4220 -17.4220 -17.4084 -17.4084 9.2068 9.2068 9.6454 9.6454 9.7304 9.7304 9.8946 9.8946 10.3627 10.3627 10.9360 10.9360 11.4552 11.4552 11.7648 11.7648 12.6917 12.6917 12.8585 12.8585 13.2364 13.2364 13.6412 13.6412 16.1451 16.1451 17.0492 17.0492 17.3377 17.3377 17.9133 17.9133 18.3931 18.3931 k = 0.5000 0.2840 0.6331 ( 4058 PWs) bands (ev): -41.3808 -41.3808 -18.0686 -18.0686 -17.4206 -17.4206 -17.4081 -17.4081 9.2223 9.2223 9.6311 9.6311 9.7180 9.7180 9.8867 9.8867 10.3267 10.3267 10.8979 10.8979 11.4504 11.4504 11.7443 11.7443 12.7060 12.7060 12.8617 12.8617 13.2172 13.2172 13.6257 13.6257 16.1956 16.1956 17.0489 17.0489 17.3464 17.3464 17.8140 17.8140 18.3608 18.3608 k = 0.5000 0.2840 0.6176 ( 4058 PWs) bands (ev): -41.3810 -41.3810 -18.0678 -18.0678 -17.4191 -17.4191 -17.4079 -17.4079 9.2360 9.2360 9.6142 9.6142 9.7041 9.7041 9.8805 9.8805 10.2901 10.2901 10.8605 10.8605 11.4472 11.4472 11.7264 11.7264 12.7220 12.7220 12.8650 12.8650 13.1978 13.1978 13.6120 13.6120 16.2423 16.2423 17.0457 17.0457 17.3552 17.3552 17.7214 17.7214 18.3096 18.3096 k = 0.5000 0.2840 0.6022 ( 4058 PWs) bands (ev): -41.3813 -41.3813 -18.0670 -18.0670 -17.4175 -17.4175 -17.4076 -17.4076 9.2476 9.2476 9.5952 9.5952 9.6875 9.6875 9.8762 9.8762 10.2534 10.2534 10.8244 10.8244 11.4456 11.4456 11.7111 11.7111 12.7393 12.7393 12.8685 12.8685 13.1785 13.1785 13.5996 13.5996 16.2850 16.2850 17.0384 17.0384 17.3639 17.3639 17.6375 17.6375 18.2509 18.2509 k = 0.5000 0.2840 0.5867 ( 4052 PWs) bands (ev): -41.3815 -41.3815 -18.0661 -18.0661 -17.4160 -17.4160 -17.4074 -17.4074 9.2568 9.2568 9.5749 9.5749 9.6675 9.6675 9.8739 9.8739 10.2166 10.2166 10.7905 10.7905 11.4451 11.4451 11.6981 11.6981 12.7576 12.7576 12.8724 12.8724 13.1593 13.1593 13.5883 13.5883 16.3237 16.3237 17.0257 17.0257 17.3725 17.3725 17.5643 17.5643 18.1891 18.1891 k = 0.5000 0.2840 0.5713 ( 4050 PWs) bands (ev): -41.3817 -41.3817 -18.0653 -18.0653 -17.4144 -17.4144 -17.4071 -17.4071 9.2636 9.2636 9.5539 9.5539 9.6438 9.6438 9.8735 9.8735 10.1800 10.1800 10.7594 10.7594 11.4456 11.4456 11.6871 11.6871 12.7762 12.7762 12.8769 12.8769 13.1403 13.1403 13.5779 13.5779 16.3584 16.3584 17.0063 17.0063 17.3809 17.3809 17.5037 17.5037 18.1260 18.1260 k = 0.5000 0.2840 0.5558 ( 4050 PWs) bands (ev): -41.3820 -41.3820 -18.0644 -18.0644 -17.4128 -17.4128 -17.4068 -17.4068 9.2676 9.2676 9.5326 9.5326 9.6167 9.6167 9.8749 9.8749 10.1435 10.1435 10.7313 10.7313 11.4467 11.4467 11.6782 11.6782 12.7942 12.7942 12.8826 12.8826 13.1215 13.1215 13.5681 13.5681 16.3890 16.3890 16.9796 16.9796 17.3886 17.3886 17.4571 17.4571 18.0628 18.0628 k = 0.5000 0.2840 0.5404 ( 4046 PWs) bands (ev): -41.3822 -41.3822 -18.0635 -18.0635 -17.4112 -17.4112 -17.4065 -17.4065 9.2684 9.2684 9.5116 9.5116 9.5866 9.5866 9.8776 9.8776 10.1073 10.1073 10.7068 10.7068 11.4479 11.4479 11.6711 11.6711 12.8105 12.8105 12.8902 12.8902 13.1031 13.1031 13.5588 13.5588 16.4157 16.4157 16.9464 16.9464 17.3938 17.3938 17.4262 17.4262 18.0003 18.0003 k = 0.5000 0.2840 0.5250 ( 4050 PWs) bands (ev): -41.3825 -41.3825 -18.0626 -18.0626 -17.4096 -17.4096 -17.4061 -17.4061 9.2653 9.2653 9.4911 9.4911 9.5547 9.5547 9.8813 9.8813 10.0713 10.0713 10.6861 10.6861 11.4491 11.4491 11.6658 11.6658 12.8238 12.8238 12.9004 12.9004 13.0852 13.0852 13.5498 13.5498 16.4386 16.4386 16.9087 16.9087 17.3893 17.3893 17.4164 17.4164 17.9390 17.9390 k = 0.5000 0.2840 0.5095 ( 4050 PWs) bands (ev): -41.3827 -41.3827 -18.0618 -18.0618 -17.4081 -17.4081 -17.4057 -17.4057 9.2577 9.2577 9.4717 9.4717 9.5220 9.5220 9.8852 9.8852 10.0360 10.0360 10.6691 10.6691 11.4497 11.4497 11.6621 11.6621 12.8331 12.8331 12.9133 12.9133 13.0685 13.0685 13.5408 13.5408 16.4577 16.4577 16.8693 16.8693 17.3798 17.3798 17.4210 17.4210 17.8794 17.8794 k = 0.5000 0.2840 0.4941 ( 4050 PWs) bands (ev): -41.3829 -41.3829 -18.0609 -18.0609 -17.4069 -17.4069 -17.4050 -17.4050 9.2447 9.2447 9.4537 9.4537 9.4903 9.4903 9.8882 9.8882 10.0022 10.0022 10.6557 10.6557 11.4496 11.4496 11.6600 11.6600 12.8386 12.8386 12.9271 12.9271 13.0538 13.0538 13.5319 13.5319 16.4732 16.4732 16.8309 16.8309 17.3743 17.3743 17.4283 17.4283 17.8221 17.8221 k = 0.5000 0.2840 0.4786 ( 4054 PWs) bands (ev): -41.3832 -41.3832 -18.0600 -18.0600 -17.4061 -17.4061 -17.4038 -17.4038 9.2256 9.2256 9.4365 9.4365 9.4614 9.4614 9.8872 9.8872 9.9729 9.9729 10.6458 10.6458 11.4484 11.4484 11.6594 11.6594 12.8409 12.8409 12.9386 12.9386 13.0435 13.0435 13.5228 13.5228 16.4851 16.4851 16.7959 16.7959 17.3731 17.3731 17.4362 17.4362 17.7673 17.7673 k = 0.5000 0.2840 0.4632 ( 4058 PWs) bands (ev): -41.3834 -41.3834 -18.0592 -18.0592 -17.4057 -17.4057 -17.4024 -17.4024 9.2000 9.2000 9.4175 9.4175 9.4393 9.4393 9.8759 9.8759 9.9543 9.9543 10.6391 10.6391 11.4458 11.4458 11.6603 11.6603 12.8406 12.8406 12.9432 12.9432 13.0410 13.0410 13.5136 13.5136 16.4939 16.4939 16.7660 16.7660 17.3753 17.3753 17.4442 17.4442 17.7155 17.7155 k = 0.5000 0.2840 0.4478 ( 4058 PWs) bands (ev): -41.3837 -41.3837 -18.0583 -18.0583 -17.4053 -17.4053 -17.4008 -17.4008 9.1684 9.1684 9.3948 9.3948 9.4259 9.4259 9.8513 9.8513 9.9495 9.9495 10.6350 10.6350 11.4417 11.4417 11.6625 11.6625 12.8378 12.8378 12.9385 12.9385 13.0480 13.0480 13.5041 13.5041 16.4995 16.4995 16.7424 16.7424 17.3797 17.3797 17.4524 17.4524 17.6670 17.6670 k = 0.5000 0.2840 0.4323 ( 4054 PWs) bands (ev): -41.3839 -41.3839 -18.0575 -18.0575 -17.4050 -17.4050 -17.3992 -17.3992 9.1321 9.1321 9.3716 9.3716 9.4180 9.4180 9.8188 9.8188 9.9531 9.9531 10.6334 10.6334 11.4360 11.4360 11.6661 11.6661 12.8323 12.8323 12.9269 12.9269 13.0618 13.0618 13.4945 13.4945 16.5025 16.5025 16.7260 16.7260 17.3857 17.3857 17.4605 17.4605 17.6222 17.6222 k = 0.5000 0.2840 0.4169 ( 4046 PWs) bands (ev): -41.3841 -41.3841 -18.0566 -18.0566 -17.4047 -17.4047 -17.3976 -17.3976 9.0922 9.0922 9.3492 9.3492 9.4131 9.4131 9.7832 9.7832 9.9604 9.9604 10.6337 10.6337 11.4286 11.4286 11.6709 11.6709 12.8236 12.8236 12.9121 12.9121 13.0785 13.0785 13.4850 13.4850 16.5032 16.5032 16.7171 16.7171 17.3926 17.3926 17.4686 17.4686 17.5814 17.5814 k = 0.5000 0.2840 0.4014 ( 4046 PWs) bands (ev): -41.3844 -41.3844 -18.0558 -18.0558 -17.4044 -17.4044 -17.3960 -17.3960 9.0501 9.0501 9.3279 9.3279 9.4106 9.4106 9.7466 9.7466 9.9696 9.9696 10.6355 10.6355 11.4195 11.4195 11.6770 11.6770 12.8113 12.8113 12.8965 12.8965 13.0957 13.0957 13.4756 13.4756 16.5022 16.5022 16.7158 16.7158 17.4000 17.4000 17.4763 17.4763 17.5452 17.5452 k = 0.5000 0.2840 0.3860 ( 4046 PWs) bands (ev): -41.3846 -41.3846 -18.0550 -18.0550 -17.4041 -17.4041 -17.3944 -17.3944 9.0066 9.0066 9.3075 9.3075 9.4098 9.4098 9.7100 9.7100 9.9799 9.9799 10.6384 10.6384 11.4088 11.4088 11.6843 11.6843 12.7950 12.7950 12.8812 12.8812 13.1119 13.1119 13.4669 13.4669 16.4999 16.4999 16.7220 16.7220 17.4072 17.4072 17.4815 17.4815 17.5162 17.5162 k = 0.5000 0.2840 0.3706 ( 4046 PWs) bands (ev): -41.3848 -41.3848 -18.0542 -18.0542 -17.4039 -17.4039 -17.3928 -17.3928 8.9625 8.9625 9.2879 9.2879 9.4106 9.4106 9.6740 9.6740 9.9908 9.9908 10.6420 10.6420 11.3965 11.3965 11.6928 11.6928 12.7746 12.7746 12.8666 12.8666 13.1261 13.1261 13.4592 13.4592 16.4963 16.4963 16.7358 16.7358 17.4133 17.4133 17.4740 17.4740 17.5053 17.5053 k = 0.5000 0.2840 0.3551 ( 4050 PWs) bands (ev): -41.3851 -41.3851 -18.0535 -18.0535 -17.4036 -17.4036 -17.3913 -17.3913 8.9185 8.9185 9.2690 9.2690 9.4125 9.4125 9.6391 9.6391 10.0022 10.0022 10.6458 10.6458 11.3830 11.3830 11.7025 11.7025 12.7509 12.7509 12.8523 12.8523 13.1373 13.1373 13.4531 13.4531 16.4917 16.4917 16.7570 16.7570 17.4161 17.4161 17.4577 17.4577 17.5108 17.5108 k = 0.5000 0.2840 0.3397 ( 4052 PWs) bands (ev): -41.3853 -41.3853 -18.0527 -18.0527 -17.4034 -17.4034 -17.3898 -17.3898 8.8751 8.8751 9.2508 9.2508 9.4151 9.4151 9.6060 9.6060 10.0140 10.0140 10.6495 10.6495 11.3685 11.3685 11.7133 11.7133 12.7244 12.7244 12.8379 12.8379 13.1449 13.1449 13.4492 13.4492 16.4860 16.4860 16.7855 16.7855 17.4113 17.4113 17.4497 17.4497 17.5197 17.5197 k = 0.5000 0.2840 0.3242 ( 4056 PWs) bands (ev): -41.3855 -41.3855 -18.0520 -18.0520 -17.4031 -17.4031 -17.3883 -17.3883 8.8324 8.8324 9.2332 9.2332 9.4177 9.4177 9.5756 9.5756 10.0260 10.0260 10.6523 10.6523 11.3533 11.3533 11.7252 11.7252 12.6958 12.6958 12.8227 12.8227 13.1486 13.1486 13.4478 13.4478 16.4793 16.4793 16.8210 16.8210 17.4001 17.4001 17.4510 17.4510 17.5296 17.5296 k = 0.5000 0.2840 0.3088 ( 4064 PWs) bands (ev): -41.3857 -41.3857 -18.0513 -18.0513 -17.4029 -17.4029 -17.3869 -17.3869 8.7909 8.7909 9.2161 9.2161 9.4188 9.4188 9.5495 9.5495 10.0381 10.0381 10.6540 10.6540 11.3380 11.3380 11.7382 11.7382 12.6656 12.6656 12.8063 12.8063 13.1481 13.1481 13.4491 13.4491 16.4716 16.4716 16.8631 16.8631 17.3887 17.3887 17.4558 17.4558 17.5401 17.5401 k = 0.5000 0.2840 0.2934 ( 4064 PWs) bands (ev): -41.3859 -41.3859 -18.0506 -18.0506 -17.4027 -17.4027 -17.3855 -17.3855 8.7507 8.7507 9.1996 9.1996 9.4160 9.4160 9.5304 9.5304 10.0503 10.0503 10.6539 10.6539 11.3231 11.3231 11.7522 11.7522 12.6343 12.6343 12.7886 12.7886 13.1438 13.1438 13.4531 13.4531 16.4630 16.4630 16.9109 16.9109 17.3795 17.3795 17.4615 17.4615 17.5510 17.5510 k = 0.5000 0.2840 0.2779 ( 4052 PWs) bands (ev): -41.3861 -41.3861 -18.0499 -18.0499 -17.4025 -17.4025 -17.3842 -17.3842 8.7120 8.7120 9.1836 9.1836 9.4064 9.4064 9.5212 9.5212 10.0626 10.0626 10.6514 10.6514 11.3090 11.3090 11.7673 11.7673 12.6021 12.6021 12.7693 12.7693 13.1361 13.1361 13.4594 13.4594 16.4536 16.4536 16.9637 16.9637 17.3732 17.3732 17.4675 17.4675 17.5621 17.5621 k = 0.5000 0.2840 0.2625 ( 4052 PWs) bands (ev): -41.3863 -41.3863 -18.0493 -18.0493 -17.4022 -17.4022 -17.3829 -17.3829 8.6750 8.6750 9.1683 9.1683 9.3900 9.3900 9.5221 9.5221 10.0747 10.0747 10.6460 10.6460 11.2965 11.2965 11.7833 11.7833 12.5694 12.5694 12.7482 12.7482 13.1259 13.1259 13.4675 13.4675 16.4437 16.4437 17.0206 17.0206 17.3699 17.3699 17.4737 17.4737 17.5733 17.5733 k = 0.5000 0.2840 0.2470 ( 4056 PWs) bands (ev): -41.3865 -41.3865 -18.0487 -18.0487 -17.4020 -17.4020 -17.3816 -17.3816 8.6397 8.6397 9.1536 9.1536 9.3692 9.3692 9.5306 9.5306 10.0866 10.0866 10.6372 10.6372 11.2860 11.2860 11.8004 11.8004 12.5364 12.5364 12.7255 12.7255 13.1137 13.1137 13.4769 13.4769 16.4334 16.4334 17.0802 17.0802 17.3696 17.3696 17.4802 17.4802 17.5846 17.5846 k = 0.5000 0.2840 0.2316 ( 4056 PWs) bands (ev): -41.3866 -41.3866 -18.0482 -18.0482 -17.4018 -17.4018 -17.3805 -17.3805 8.6063 8.6063 9.1395 9.1395 9.3467 9.3467 9.5444 9.5444 10.0984 10.0984 10.6246 10.6246 11.2780 11.2780 11.8183 11.8183 12.5033 12.5033 12.7011 12.7011 13.1004 13.1004 13.4870 13.4870 16.4228 16.4228 17.1412 17.1412 17.3724 17.3724 17.4872 17.4872 17.5958 17.5958 k = 0.5000 0.2840 0.2162 ( 4056 PWs) bands (ev): -41.3868 -41.3868 -18.0476 -18.0476 -17.4017 -17.4017 -17.3793 -17.3793 8.5748 8.5748 9.1261 9.1261 9.3238 9.3238 9.5620 9.5620 10.1098 10.1098 10.6080 10.6080 11.2729 11.2729 11.8371 11.8371 12.4705 12.4705 12.6751 12.6751 13.0864 13.0864 13.4975 13.4975 16.4121 16.4121 17.2012 17.2012 17.3788 17.3788 17.4950 17.4950 17.6071 17.6071 k = 0.5000 0.2840 0.2007 ( 4052 PWs) bands (ev): -41.3869 -41.3869 -18.0471 -18.0471 -17.4015 -17.4015 -17.3783 -17.3783 8.5452 8.5452 9.1134 9.1134 9.3015 9.3015 9.5825 9.5825 10.1208 10.1208 10.5872 10.5872 11.2707 11.2707 11.8568 11.8568 12.4380 12.4380 12.6476 12.6476 13.0723 13.0723 13.5080 13.5080 16.4014 16.4014 17.2568 17.2568 17.3902 17.3902 17.5045 17.5045 17.6184 17.6184 k = 0.5000 0.2840 0.1853 ( 4048 PWs) bands (ev): -41.3871 -41.3871 -18.0467 -18.0467 -17.4013 -17.4013 -17.3773 -17.3773 8.5177 8.5177 9.1014 9.1014 9.2802 9.2802 9.6054 9.6054 10.1314 10.1314 10.5625 10.5625 11.2714 11.2714 11.8772 11.8772 12.4062 12.4062 12.6189 12.6189 13.0585 13.0585 13.5183 13.5183 16.3909 16.3909 17.3022 17.3022 17.4092 17.4092 17.5171 17.5171 17.6299 17.6299 k = 0.5000 0.2840 0.1698 ( 4038 PWs) bands (ev): -41.3872 -41.3872 -18.0462 -18.0462 -17.4012 -17.4012 -17.3764 -17.3764 8.4923 8.4923 9.0903 9.0903 9.2602 9.2602 9.6306 9.6306 10.1415 10.1415 10.5342 10.5342 11.2749 11.2749 11.8984 11.8984 12.3752 12.3752 12.5891 12.5891 13.0452 13.0452 13.5281 13.5281 16.3808 16.3808 17.3328 17.3328 17.4360 17.4360 17.5355 17.5355 17.6422 17.6422 k = 0.5000 0.2840 0.1544 ( 4038 PWs) bands (ev): -41.3873 -41.3873 -18.0458 -18.0458 -17.4010 -17.4010 -17.3755 -17.3755 8.4690 8.4690 9.0800 9.0800 9.2417 9.2417 9.6578 9.6578 10.1509 10.1509 10.5026 10.5026 11.2807 11.2807 11.9203 11.9203 12.3453 12.3453 12.5585 12.5585 13.0326 13.0326 13.5375 13.5375 16.3711 16.3711 17.3512 17.3512 17.4624 17.4624 17.5624 17.5624 17.6565 17.6565 k = 0.5000 0.2840 0.1390 ( 4038 PWs) bands (ev): -41.3875 -41.3875 -18.0455 -18.0455 -17.4009 -17.4009 -17.3748 -17.3748 8.4478 8.4478 9.0705 9.0705 9.2247 9.2247 9.6867 9.6867 10.1597 10.1597 10.4683 10.4683 11.2883 11.2883 11.9427 11.9427 12.3168 12.3168 12.5273 12.5273 13.0210 13.0210 13.5461 13.5461 16.3620 16.3620 17.3631 17.3631 17.4820 17.4820 17.5944 17.5944 17.6758 17.6758 k = 0.5000 0.2840 0.1235 ( 4042 PWs) bands (ev): -41.3876 -41.3876 -18.0452 -18.0452 -17.4008 -17.4008 -17.3741 -17.3741 8.4289 8.4289 9.0620 9.0620 9.2093 9.2093 9.7171 9.7171 10.1677 10.1677 10.4319 10.4319 11.2974 11.2974 11.9655 11.9655 12.2900 12.2900 12.4960 12.4960 13.0104 13.0104 13.5540 13.5540 16.3535 16.3535 17.3716 17.3716 17.4958 17.4958 17.6215 17.6215 17.7046 17.7046 k = 0.5000 0.2840 0.1081 ( 4054 PWs) bands (ev): -41.3876 -41.3876 -18.0449 -18.0449 -17.4007 -17.4007 -17.3734 -17.3734 8.4121 8.4121 9.0543 9.0543 9.1957 9.1957 9.7488 9.7488 10.1748 10.1748 10.3941 10.3941 11.3072 11.3072 11.9887 11.9887 12.2651 12.2651 12.4648 12.4648 13.0008 13.0008 13.5611 13.5611 16.3458 16.3458 17.3783 17.3783 17.5063 17.5063 17.6393 17.6393 17.7421 17.7421 k = 0.5000 0.2840 0.0926 ( 4054 PWs) bands (ev): -41.3877 -41.3877 -18.0446 -18.0446 -17.4006 -17.4006 -17.3729 -17.3729 8.3975 8.3975 9.0477 9.0477 9.1838 9.1838 9.7814 9.7814 10.1810 10.1810 10.3556 10.3556 11.3173 11.3173 12.0119 12.0119 12.2425 12.2425 12.4342 12.4342 12.9925 12.9925 13.5674 13.5674 16.3389 16.3389 17.3836 17.3836 17.5148 17.5148 17.6508 17.6508 17.7823 17.7823 k = 0.5000 0.2840 0.0772 ( 4050 PWs) bands (ev): -41.3878 -41.3878 -18.0444 -18.0444 -17.4005 -17.4005 -17.3724 -17.3724 8.3851 8.3851 9.0420 9.0420 9.1736 9.1736 9.8143 9.8143 10.1862 10.1862 10.3173 10.3173 11.3271 11.3271 12.0348 12.0348 12.2227 12.2227 12.4045 12.4045 12.9853 12.9853 13.5727 13.5727 16.3330 16.3330 17.3878 17.3878 17.5219 17.5219 17.6589 17.6589 17.8203 17.8203 k = 0.5000 0.2840 0.0618 ( 4050 PWs) bands (ev): -41.3878 -41.3878 -18.0442 -18.0442 -17.4005 -17.4005 -17.3721 -17.3721 8.3750 8.3750 9.0373 9.0373 9.1653 9.1653 9.8469 9.8469 10.1900 10.1900 10.2804 10.2804 11.3360 11.3360 12.0567 12.0567 12.2062 12.2062 12.3765 12.3765 12.9795 12.9795 13.5771 13.5771 16.3281 16.3281 17.3911 17.3911 17.5277 17.5277 17.6648 17.6648 17.8536 17.8536 k = 0.5000 0.2840 0.0463 ( 4052 PWs) bands (ev): -41.3879 -41.3879 -18.0441 -18.0441 -17.4004 -17.4004 -17.3718 -17.3718 8.3671 8.3671 9.0336 9.0336 9.1588 9.1588 9.8777 9.8777 10.1919 10.1919 10.2473 10.2473 11.3436 11.3436 12.0766 12.0766 12.1934 12.1934 12.3512 12.3512 12.9748 12.9748 13.5805 13.5805 16.3242 16.3242 17.3935 17.3935 17.5324 17.5324 17.6692 17.6692 17.8807 17.8807 k = 0.5000 0.2840 0.0309 ( 4050 PWs) bands (ev): -41.3879 -41.3879 -18.0440 -18.0440 -17.4004 -17.4004 -17.3716 -17.3716 8.3615 8.3615 9.0310 9.0310 9.1542 9.1542 9.9045 9.9045 10.1895 10.1895 10.2224 10.2224 11.3493 11.3493 12.0931 12.0931 12.1847 12.1847 12.3301 12.3301 12.9715 12.9715 13.5830 13.5830 16.3214 16.3214 17.3952 17.3952 17.5358 17.5358 17.6721 17.6721 17.9006 17.9006 k = 0.5000 0.2840 0.0154 ( 4050 PWs) bands (ev): -41.3879 -41.3879 -18.0439 -18.0439 -17.4004 -17.4004 -17.3714 -17.3714 8.3581 8.3581 9.0294 9.0294 9.1514 9.1514 9.9236 9.9236 10.1807 10.1807 10.2117 10.2117 11.3529 11.3529 12.1040 12.1040 12.1802 12.1802 12.3155 12.3155 12.9696 12.9696 13.5845 13.5845 16.3196 16.3196 17.3962 17.3962 17.5378 17.5378 17.6739 17.6739 17.9128 17.9128 k = 0.5000 0.2840 0.0000 ( 4042 PWs) bands (ev): -41.3879 -41.3879 -18.0439 -18.0439 -17.4004 -17.4004 -17.3714 -17.3714 8.3570 8.3570 9.0289 9.0289 9.1505 9.1505 9.9308 9.9308 10.1754 10.1754 10.2097 10.2097 11.3542 11.3542 12.1078 12.1078 12.1790 12.1790 12.3102 12.3102 12.9689 12.9689 13.5849 13.5849 16.3191 16.3191 17.3966 17.3966 17.5385 17.5385 17.6745 17.6745 17.9169 17.9169 k = 0.0000 0.0000 1.0125 ( 4030 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 8.8194 8.8194 9.6415 9.6415 9.8379 9.8379 10.1167 10.1167 10.8430 10.8430 11.2248 11.2248 11.7040 11.7040 12.6063 12.6063 12.7305 12.7305 12.8959 12.8959 13.4551 13.4551 14.4760 14.4760 14.8197 14.8197 16.9697 16.9697 17.2207 17.2207 17.9794 17.9794 18.4517 18.4517 k = 0.0132 0.0075 1.0125 ( 4034 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 8.8208 8.8208 9.6418 9.6418 9.8359 9.8359 10.1151 10.1151 10.8447 10.8447 11.2258 11.2258 11.7033 11.7033 12.6055 12.6055 12.7308 12.7308 12.8955 12.8955 13.4557 13.4557 14.4760 14.4760 14.8179 14.8179 16.9680 16.9680 17.2250 17.2250 17.9794 17.9794 18.4577 18.4577 k = 0.0263 0.0149 1.0125 ( 4046 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 8.8248 8.8248 9.6426 9.6426 9.8301 9.8301 10.1106 10.1106 10.8499 10.8499 11.2287 11.2287 11.7011 11.7011 12.6033 12.6033 12.7320 12.7320 12.8943 12.8943 13.4572 13.4572 14.4758 14.4758 14.8124 14.8124 16.9629 16.9629 17.2379 17.2379 17.9794 17.9794 18.4756 18.4756 k = 0.0395 0.0224 1.0125 ( 4050 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 8.8316 8.8316 9.6439 9.6439 9.8205 9.8205 10.1033 10.1033 10.8583 10.8583 11.2335 11.2335 11.6976 11.6976 12.5996 12.5996 12.7337 12.7337 12.8924 12.8924 13.4596 13.4596 14.4756 14.4756 14.8035 14.8035 16.9545 16.9545 17.2596 17.2596 17.9795 17.9795 18.5048 18.5048 k = 0.0526 0.0299 1.0125 ( 4050 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 8.8410 8.8410 9.6457 9.6457 9.8073 9.8073 10.0935 10.0935 10.8695 10.8695 11.2401 11.2401 11.6926 11.6926 12.5948 12.5948 12.7360 12.7360 12.8899 12.8899 13.4630 13.4630 14.4754 14.4754 14.7916 14.7916 16.9430 16.9430 17.2901 17.2901 17.9795 17.9795 18.5446 18.5446 k = 0.0658 0.0374 1.0125 ( 4050 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 8.8530 8.8530 9.6477 9.6477 9.7908 9.7908 10.0816 10.0816 10.8832 10.8832 11.2484 11.2484 11.6863 11.6863 12.5890 12.5890 12.7388 12.7388 12.8867 12.8867 13.4670 13.4670 14.4752 14.4752 14.7770 14.7770 16.9288 16.9288 17.3293 17.3293 17.9795 17.9795 18.5938 18.5938 k = 0.0789 0.0448 1.0125 ( 4036 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 8.8675 8.8675 9.6498 9.6498 9.7716 9.7716 10.0679 10.0679 10.8988 10.8988 11.2582 11.2582 11.6786 11.6786 12.5823 12.5823 12.7418 12.7418 12.8830 12.8830 13.4717 13.4717 14.4751 14.4751 14.7601 14.7601 16.9125 16.9125 17.3768 17.3768 17.9795 17.9795 18.6515 18.6515 k = 0.0921 0.0523 1.0125 ( 4038 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 8.8845 8.8845 9.6512 9.6512 9.7506 9.7506 10.0531 10.0531 10.9158 10.9158 11.2695 11.2695 11.6696 11.6696 12.5751 12.5751 12.7451 12.7451 12.8788 12.8788 13.4769 13.4769 14.4751 14.4751 14.7415 14.7415 16.8950 16.8950 17.4321 17.4321 17.9795 17.9795 18.7164 18.7164 k = 0.1053 0.0598 1.0125 ( 4034 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 8.9038 8.9038 9.6505 9.6505 9.7294 9.7294 10.0373 10.0373 10.9338 10.9338 11.2822 11.2822 11.6592 11.6592 12.5675 12.5675 12.7485 12.7485 12.8744 12.8744 13.4823 13.4823 14.4754 14.4754 14.7218 14.7218 16.8768 16.8768 17.4946 17.4946 17.9795 17.9795 18.7873 18.7873 k = 0.1184 0.0673 1.0125 ( 4036 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 8.9253 8.9253 9.6444 9.6444 9.7117 9.7117 10.0210 10.0210 10.9522 10.9522 11.2960 11.2960 11.6477 11.6477 12.5598 12.5598 12.7520 12.7520 12.8697 12.8697 13.4879 13.4879 14.4759 14.4759 14.7012 14.7012 16.8586 16.8586 17.5638 17.5638 17.9795 17.9795 18.8628 18.8628 k = 0.1316 0.0747 1.0125 ( 4038 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 8.9488 8.9488 9.6285 9.6285 9.7022 9.7022 10.0046 10.0046 10.9706 10.9706 11.3110 11.3110 11.6349 11.6349 12.5520 12.5520 12.7555 12.7555 12.8649 12.8649 13.4934 13.4934 14.4769 14.4769 14.6804 14.6804 16.8410 16.8410 17.6389 17.6389 17.9795 17.9795 18.9415 18.9415 k = 0.1447 0.0822 1.0125 ( 4040 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 8.9741 8.9741 9.6035 9.6035 9.7005 9.7005 9.9883 9.9883 10.9885 10.9885 11.3269 11.3269 11.6209 11.6209 12.5445 12.5445 12.7590 12.7590 12.8600 12.8600 13.4988 13.4988 14.4784 14.4784 14.6598 14.6598 16.8243 16.8243 17.7196 17.7196 17.9796 17.9796 19.0213 19.0213 k = 0.1579 0.0897 1.0125 ( 4042 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 9.0009 9.0009 9.5734 9.5734 9.7031 9.7031 9.9725 9.9725 11.0053 11.0053 11.3436 11.3436 11.6060 11.6060 12.5373 12.5373 12.7624 12.7624 12.8552 12.8552 13.5039 13.5039 14.4806 14.4806 14.6397 14.6397 16.8089 16.8089 17.8052 17.8052 17.9796 17.9796 19.0978 19.0978 k = 0.1711 0.0971 1.0125 ( 4054 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 9.0289 9.0289 9.5410 9.5410 9.7076 9.7076 9.9575 9.9575 11.0208 11.0208 11.3611 11.3611 11.5900 11.5900 12.5307 12.5307 12.7657 12.7657 12.8506 12.8506 13.5085 13.5085 14.4834 14.4834 14.6204 14.6204 16.7950 16.7950 17.8950 17.8950 17.9798 17.9798 19.1513 19.1513 k = 0.1842 0.1046 1.0125 ( 4054 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 9.0575 9.0575 9.5077 9.5077 9.7129 9.7129 9.9437 9.9437 11.0346 11.0346 11.3793 11.3793 11.5732 11.5732 12.5248 12.5248 12.7689 12.7689 12.8462 12.8462 13.5127 13.5127 14.4871 14.4871 14.6022 14.6022 16.7830 16.7830 17.9767 17.9767 17.9920 17.9920 19.1119 19.1119 k = 0.1974 0.1121 1.0125 ( 4058 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 9.0859 9.0859 9.4750 9.4750 9.7184 9.7184 9.9314 9.9314 11.0463 11.0463 11.3980 11.3980 11.5556 11.5556 12.5198 12.5198 12.7717 12.7717 12.8423 12.8423 13.5162 13.5162 14.4916 14.4916 14.5854 14.5854 16.7730 16.7730 17.9791 17.9791 18.0867 18.0867 19.0087 19.0087 k = 0.2105 0.1196 1.0125 ( 4058 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 9.1129 9.1129 9.4444 9.4444 9.7234 9.7234 9.9210 9.9210 11.0556 11.0556 11.4169 11.4169 11.5376 11.5376 12.5158 12.5158 12.7742 12.7742 12.8390 12.8390 13.5190 13.5190 14.4969 14.4969 14.5702 14.5702 16.7651 16.7651 17.9793 17.9793 18.1857 18.1857 18.8964 18.8964 k = 0.2237 0.1270 1.0125 ( 4062 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 9.1364 9.1364 9.4182 9.4182 9.7275 9.7275 9.9132 9.9132 11.0625 11.0625 11.4358 11.4358 11.5193 11.5193 12.5128 12.5128 12.7762 12.7762 12.8364 12.8364 13.5210 13.5210 14.5028 14.5028 14.5572 14.5572 16.7593 16.7593 17.9793 17.9793 18.2844 18.2844 18.7865 18.7865 k = 0.2368 0.1345 1.0125 ( 4068 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 9.1532 9.1532 9.3998 9.3998 9.7302 9.7302 9.9082 9.9082 11.0667 11.0667 11.4537 11.4537 11.5018 11.5018 12.5110 12.5110 12.7774 12.7774 12.8347 12.8347 13.5223 13.5223 14.5082 14.5082 14.5474 14.5474 16.7559 16.7559 17.9793 17.9793 18.3751 18.3751 18.6888 18.6888 k = 0.2500 0.1420 1.0125 ( 4068 PWs) bands (ev): -41.3778 -41.3778 -18.0801 -18.0801 -17.4410 -17.4410 -17.4115 -17.4115 9.1594 9.1594 9.3930 9.3930 9.7312 9.7312 9.9065 9.9065 11.0680 11.0680 11.4641 11.4641 11.4915 11.4915 12.5104 12.5104 12.7779 12.7779 12.8342 12.8342 13.5227 13.5227 14.5108 14.5108 14.5434 14.5434 16.7547 16.7547 17.9793 17.9793 18.4225 18.4225 18.6391 18.6391 Writing output data file TiAu2.save init_run : 0.16s CPU 0.35s WALL ( 1 calls) electrons : 297.77s CPU 301.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 297.76s CPU 301.57s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 418 calls) cegterg : 281.50s CPU 284.61s WALL ( 739 calls) Called by sum_band: Called by *egterg: h_psi : 210.36s CPU 212.94s WALL ( 11228 calls) s_psi : 4.32s CPU 4.42s WALL ( 11228 calls) g_psi : 0.44s CPU 0.39s WALL ( 10071 calls) cdiaghg : 57.62s CPU 58.51s WALL ( 10489 calls) cegterg:over : 7.98s CPU 7.96s WALL ( 10071 calls) cegterg:upda : 6.34s CPU 6.37s WALL ( 10071 calls) cegterg:last : 3.92s CPU 3.95s WALL ( 2432 calls) cdiaghg:chol : 3.28s CPU 3.30s WALL ( 10489 calls) cdiaghg:inve : 1.82s CPU 1.82s WALL ( 10489 calls) cdiaghg:para : 3.36s CPU 3.37s WALL ( 20978 calls) Called by h_psi: h_psi:vloc : 197.10s CPU 199.39s WALL ( 11228 calls) h_psi:vnl : 12.94s CPU 13.19s WALL ( 11228 calls) add_vuspsi : 6.62s CPU 6.88s WALL ( 11228 calls) General routines calbec : 6.30s CPU 6.29s WALL ( 11228 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 186.49s CPU 188.71s WALL ( 1234140 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.20s CPU 0.36s WALL ( 836 calls) Parallel routines fft_scatter : 60.15s CPU 60.76s WALL ( 1234163 calls) PWSCF : 5m13.78s CPU 5m41.09s WALL This run was terminated on: 13:39:23 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=