Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16: 2:54 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: ./CuBr.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 22 18 5 417 303 50 Max 23 19 6 421 315 53 Sum 805 661 199 15065 11113 1837 bravais-lattice index = 14 lattice parameter (alat) = 6.9085 a.u. unit-cell volume = 233.1489 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 244.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.908484 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.500000 celldm(5)= 0.500000 celldm(6)= 0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.500000 0.866025 0.000000 ) a(3) = ( 0.500000 0.288675 0.816497 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.577350 -0.408248 ) b(2) = ( 0.000000 1.154701 -0.408248 ) b(3) = ( 0.000000 0.000000 1.224745 ) PseudoPot. # 1 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Br 7.00 79.90400 Br( 1.00) Cu 11.00 63.54600 Cu( 1.00) 12 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 1 -1 0 ) ( 1 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( -1 1 0 ) ( -1 0 0 ) ( -1 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) ( 1 -1 0 ) ( 0 -1 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( -1 1 0 ) ( 0 1 0 ) ( 0 1 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( -1 1 0 ) ( -1 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 1 -1 0 ) ( 1 0 0 ) ( 1 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 1 0 ) ( 0 1 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 1 -1 0 ) ( 0 -1 0 ) ( 0 -1 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 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 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 405 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024691 k( 2) = ( 0.0081967 -0.0047324 0.0066926), wk = 0.0024691 k( 3) = ( 0.0163934 -0.0094648 0.0133852), wk = 0.0024691 k( 4) = ( 0.0245902 -0.0141971 0.0200778), wk = 0.0024691 k( 5) = ( 0.0327869 -0.0189295 0.0267704), wk = 0.0024691 k( 6) = ( 0.0409836 -0.0236619 0.0334630), wk = 0.0024691 k( 7) = ( 0.0491803 -0.0283943 0.0401556), wk = 0.0024691 k( 8) = ( 0.0573770 -0.0331267 0.0468482), wk = 0.0024691 k( 9) = ( 0.0655738 -0.0378590 0.0535408), wk = 0.0024691 k( 10) = ( 0.0737705 -0.0425914 0.0602334), wk = 0.0024691 k( 11) = ( 0.0819672 -0.0473238 0.0669259), wk = 0.0024691 k( 12) = ( 0.0901639 -0.0520562 0.0736185), wk = 0.0024691 k( 13) = ( 0.0983607 -0.0567886 0.0803111), wk = 0.0024691 k( 14) = ( 0.1065574 -0.0615209 0.0870037), wk = 0.0024691 k( 15) = ( 0.1147541 -0.0662533 0.0936963), wk = 0.0024691 k( 16) = ( 0.1229508 -0.0709857 0.1003889), wk = 0.0024691 k( 17) = ( 0.1311475 -0.0757181 0.1070815), wk = 0.0024691 k( 18) = ( 0.1393443 -0.0804504 0.1137741), wk = 0.0024691 k( 19) = ( 0.1475410 -0.0851828 0.1204667), wk = 0.0024691 k( 20) = ( 0.1557377 -0.0899152 0.1271593), wk = 0.0024691 k( 21) = ( 0.1639344 -0.0946476 0.1338519), wk = 0.0024691 k( 22) = ( 0.1721312 -0.0993800 0.1405445), wk = 0.0024691 k( 23) = ( 0.1803279 -0.1041123 0.1472371), wk = 0.0024691 k( 24) = ( 0.1885246 -0.1088447 0.1539297), wk = 0.0024691 k( 25) = ( 0.1967213 -0.1135771 0.1606223), wk = 0.0024691 k( 26) = ( 0.2049180 -0.1183095 0.1673149), wk = 0.0024691 k( 27) = ( 0.2131147 -0.1230419 0.1740075), wk = 0.0024691 k( 28) = ( 0.2213115 -0.1277742 0.1807001), wk = 0.0024691 k( 29) = ( 0.2295082 -0.1325066 0.1873927), wk = 0.0024691 k( 30) = ( 0.2377049 -0.1372390 0.1940853), wk = 0.0024691 k( 31) = ( 0.2459016 -0.1419714 0.2007778), wk = 0.0024691 k( 32) = ( 0.2540984 -0.1467038 0.2074704), wk = 0.0024691 k( 33) = ( 0.2622951 -0.1514361 0.2141630), wk = 0.0024691 k( 34) = ( 0.2704918 -0.1561685 0.2208556), wk = 0.0024691 k( 35) = ( 0.2786885 -0.1609009 0.2275482), wk = 0.0024691 k( 36) = ( 0.2868852 -0.1656333 0.2342408), wk = 0.0024691 k( 37) = ( 0.2950820 -0.1703657 0.2409334), wk = 0.0024691 k( 38) = ( 0.3032787 -0.1750980 0.2476260), wk = 0.0024691 k( 39) = ( 0.3114754 -0.1798304 0.2543186), wk = 0.0024691 k( 40) = ( 0.3196721 -0.1845628 0.2610112), wk = 0.0024691 k( 41) = ( 0.3278688 -0.1892952 0.2677038), wk = 0.0024691 k( 42) = ( 0.3360656 -0.1940275 0.2743964), wk = 0.0024691 k( 43) = ( 0.3442623 -0.1987599 0.2810890), wk = 0.0024691 k( 44) = ( 0.3524590 -0.2034923 0.2877816), wk = 0.0024691 k( 45) = ( 0.3606557 -0.2082247 0.2944742), wk = 0.0024691 k( 46) = ( 0.3688525 -0.2129571 0.3011668), wk = 0.0024691 k( 47) = ( 0.3770492 -0.2176894 0.3078594), wk = 0.0024691 k( 48) = ( 0.3852459 -0.2224218 0.3145520), wk = 0.0024691 k( 49) = ( 0.3934426 -0.2271542 0.3212446), wk = 0.0024691 k( 50) = ( 0.4016393 -0.2318866 0.3279371), wk = 0.0024691 k( 51) = ( 0.4098361 -0.2366190 0.3346297), wk = 0.0024691 k( 52) = ( 0.4180328 -0.2413513 0.3413223), wk = 0.0024691 k( 53) = ( 0.4262295 -0.2460837 0.3480149), wk = 0.0024691 k( 54) = ( 0.4344262 -0.2508161 0.3547075), wk = 0.0024691 k( 55) = ( 0.4426230 -0.2555485 0.3614001), wk = 0.0024691 k( 56) = ( 0.4508197 -0.2602809 0.3680927), wk = 0.0024691 k( 57) = ( 0.4590164 -0.2650132 0.3747853), wk = 0.0024691 k( 58) = ( 0.4672131 -0.2697456 0.3814779), wk = 0.0024691 k( 59) = ( 0.4754098 -0.2744780 0.3881705), wk = 0.0024691 k( 60) = ( 0.4836066 -0.2792104 0.3948631), wk = 0.0024691 k( 61) = ( 0.4918033 -0.2839428 0.4015557), wk = 0.0024691 k( 62) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0024691 k( 63) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0024691 k( 64) = ( 0.5000000 -0.2793630 0.4148329), wk = 0.0024691 k( 65) = ( 0.5000000 -0.2700509 0.4214176), wk = 0.0024691 k( 66) = ( 0.5000000 -0.2607388 0.4280022), wk = 0.0024691 k( 67) = ( 0.5000000 -0.2514267 0.4345869), wk = 0.0024691 k( 68) = ( 0.5000000 -0.2421146 0.4411715), wk = 0.0024691 k( 69) = ( 0.5000000 -0.2328025 0.4477562), wk = 0.0024691 k( 70) = ( 0.5000000 -0.2234904 0.4543408), wk = 0.0024691 k( 71) = ( 0.5000000 -0.2141783 0.4609255), wk = 0.0024691 k( 72) = ( 0.5000000 -0.2048662 0.4675101), wk = 0.0024691 k( 73) = ( 0.5000000 -0.1955541 0.4740948), wk = 0.0024691 k( 74) = ( 0.5000000 -0.1862420 0.4806794), wk = 0.0024691 k( 75) = ( 0.5000000 -0.1769299 0.4872641), wk = 0.0024691 k( 76) = ( 0.5000000 -0.1676178 0.4938487), wk = 0.0024691 k( 77) = ( 0.5000000 -0.1583057 0.5004334), wk = 0.0024691 k( 78) = ( 0.5000000 -0.1489936 0.5070180), wk = 0.0024691 k( 79) = ( 0.5000000 -0.1396815 0.5136027), wk = 0.0024691 k( 80) = ( 0.5000000 -0.1303694 0.5201873), wk = 0.0024691 k( 81) = ( 0.5000000 -0.1210573 0.5267720), wk = 0.0024691 k( 82) = ( 0.5000000 -0.1117452 0.5333566), wk = 0.0024691 k( 83) = ( 0.5000000 -0.1024331 0.5399413), wk = 0.0024691 k( 84) = ( 0.5000000 -0.0931210 0.5465259), wk = 0.0024691 k( 85) = ( 0.5000000 -0.0838089 0.5531106), wk = 0.0024691 k( 86) = ( 0.5000000 -0.0744968 0.5596952), wk = 0.0024691 k( 87) = ( 0.5000000 -0.0651847 0.5662799), wk = 0.0024691 k( 88) = ( 0.5000000 -0.0558726 0.5728645), wk = 0.0024691 k( 89) = ( 0.5000000 -0.0465605 0.5794492), wk = 0.0024691 k( 90) = ( 0.5000000 -0.0372484 0.5860338), wk = 0.0024691 k( 91) = ( 0.5000000 -0.0279363 0.5926185), wk = 0.0024691 k( 92) = ( 0.5000000 -0.0186242 0.5992031), wk = 0.0024691 k( 93) = ( 0.5000000 -0.0093121 0.6057878), wk = 0.0024691 k( 94) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0024691 k( 95) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0024691 k( 96) = ( 0.4943182 0.0098412 0.6123724), wk = 0.0024691 k( 97) = ( 0.4886364 0.0196824 0.6123724), wk = 0.0024691 k( 98) = ( 0.4829545 0.0295236 0.6123724), wk = 0.0024691 k( 99) = ( 0.4772727 0.0393648 0.6123724), wk = 0.0024691 k( 100) = ( 0.4715909 0.0492060 0.6123724), wk = 0.0024691 k( 101) = ( 0.4659091 0.0590472 0.6123724), wk = 0.0024691 k( 102) = ( 0.4602273 0.0688884 0.6123724), wk = 0.0024691 k( 103) = ( 0.4545455 0.0787296 0.6123724), wk = 0.0024691 k( 104) = ( 0.4488636 0.0885708 0.6123724), wk = 0.0024691 k( 105) = ( 0.4431818 0.0984120 0.6123724), wk = 0.0024691 k( 106) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0024691 k( 107) = ( 0.4318182 0.1180944 0.6123724), wk = 0.0024691 k( 108) = ( 0.4261364 0.1279356 0.6123724), wk = 0.0024691 k( 109) = ( 0.4204545 0.1377768 0.6123724), wk = 0.0024691 k( 110) = ( 0.4147727 0.1476180 0.6123724), wk = 0.0024691 k( 111) = ( 0.4090909 0.1574592 0.6123724), wk = 0.0024691 k( 112) = ( 0.4034091 0.1673004 0.6123724), wk = 0.0024691 k( 113) = ( 0.3977273 0.1771416 0.6123724), wk = 0.0024691 k( 114) = ( 0.3920455 0.1869828 0.6123724), wk = 0.0024691 k( 115) = ( 0.3863636 0.1968239 0.6123724), wk = 0.0024691 k( 116) = ( 0.3806818 0.2066652 0.6123724), wk = 0.0024691 k( 117) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0024691 k( 118) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0024691 k( 119) = ( 0.3692308 0.2131755 0.6029513), wk = 0.0024691 k( 120) = ( 0.3634615 0.2098446 0.5935302), wk = 0.0024691 k( 121) = ( 0.3576923 0.2065138 0.5841091), wk = 0.0024691 k( 122) = ( 0.3519231 0.2031829 0.5746880), wk = 0.0024691 k( 123) = ( 0.3461538 0.1998520 0.5652669), wk = 0.0024691 k( 124) = ( 0.3403846 0.1965212 0.5558457), wk = 0.0024691 k( 125) = ( 0.3346154 0.1931903 0.5464246), wk = 0.0024691 k( 126) = ( 0.3288462 0.1898594 0.5370035), wk = 0.0024691 k( 127) = ( 0.3230769 0.1865285 0.5275824), wk = 0.0024691 k( 128) = ( 0.3173077 0.1831977 0.5181613), wk = 0.0024691 k( 129) = ( 0.3115385 0.1798668 0.5087402), wk = 0.0024691 k( 130) = ( 0.3057692 0.1765359 0.4993191), wk = 0.0024691 k( 131) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0024691 k( 132) = ( 0.2942308 0.1698742 0.4804768), wk = 0.0024691 k( 133) = ( 0.2884615 0.1665433 0.4710557), wk = 0.0024691 k( 134) = ( 0.2826923 0.1632125 0.4616346), wk = 0.0024691 k( 135) = ( 0.2769231 0.1598816 0.4522135), wk = 0.0024691 k( 136) = ( 0.2711538 0.1565507 0.4427924), wk = 0.0024691 k( 137) = ( 0.2653846 0.1532199 0.4333713), wk = 0.0024691 k( 138) = ( 0.2596154 0.1498890 0.4239502), wk = 0.0024691 k( 139) = ( 0.2538461 0.1465581 0.4145290), wk = 0.0024691 k( 140) = ( 0.2480769 0.1432273 0.4051079), wk = 0.0024691 k( 141) = ( 0.2423077 0.1398964 0.3956868), wk = 0.0024691 k( 142) = ( 0.2365385 0.1365655 0.3862657), wk = 0.0024691 k( 143) = ( 0.2307692 0.1332347 0.3768446), wk = 0.0024691 k( 144) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0024691 k( 145) = ( 0.2192308 0.1265729 0.3580023), wk = 0.0024691 k( 146) = ( 0.2134615 0.1232421 0.3485812), wk = 0.0024691 k( 147) = ( 0.2076923 0.1199112 0.3391601), wk = 0.0024691 k( 148) = ( 0.2019231 0.1165803 0.3297390), wk = 0.0024691 k( 149) = ( 0.1961538 0.1132495 0.3203179), wk = 0.0024691 k( 150) = ( 0.1903846 0.1099186 0.3108968), wk = 0.0024691 k( 151) = ( 0.1846154 0.1065877 0.3014757), wk = 0.0024691 k( 152) = ( 0.1788462 0.1032569 0.2920546), wk = 0.0024691 k( 153) = ( 0.1730769 0.0999260 0.2826334), wk = 0.0024691 k( 154) = ( 0.1673077 0.0965951 0.2732123), wk = 0.0024691 k( 155) = ( 0.1615385 0.0932643 0.2637912), wk = 0.0024691 k( 156) = ( 0.1557692 0.0899334 0.2543701), wk = 0.0024691 k( 157) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0024691 k( 158) = ( 0.1442308 0.0832717 0.2355279), wk = 0.0024691 k( 159) = ( 0.1384615 0.0799408 0.2261067), wk = 0.0024691 k( 160) = ( 0.1326923 0.0766099 0.2166856), wk = 0.0024691 k( 161) = ( 0.1269231 0.0732791 0.2072645), wk = 0.0024691 k( 162) = ( 0.1211538 0.0699482 0.1978434), wk = 0.0024691 k( 163) = ( 0.1153846 0.0666173 0.1884223), wk = 0.0024691 k( 164) = ( 0.1096154 0.0632865 0.1790012), wk = 0.0024691 k( 165) = ( 0.1038461 0.0599556 0.1695801), wk = 0.0024691 k( 166) = ( 0.0980769 0.0566247 0.1601590), wk = 0.0024691 k( 167) = ( 0.0923077 0.0532939 0.1507378), wk = 0.0024691 k( 168) = ( 0.0865385 0.0499630 0.1413167), wk = 0.0024691 k( 169) = ( 0.0807692 0.0466321 0.1318956), wk = 0.0024691 k( 170) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0024691 k( 171) = ( 0.0692308 0.0399704 0.1130534), wk = 0.0024691 k( 172) = ( 0.0634615 0.0366395 0.1036323), wk = 0.0024691 k( 173) = ( 0.0576923 0.0333087 0.0942111), wk = 0.0024691 k( 174) = ( 0.0519231 0.0299778 0.0847900), wk = 0.0024691 k( 175) = ( 0.0461539 0.0266469 0.0753689), wk = 0.0024691 k( 176) = ( 0.0403846 0.0233161 0.0659478), wk = 0.0024691 k( 177) = ( 0.0346154 0.0199852 0.0565267), wk = 0.0024691 k( 178) = ( 0.0288462 0.0166543 0.0471056), wk = 0.0024691 k( 179) = ( 0.0230769 0.0133235 0.0376845), wk = 0.0024691 k( 180) = ( 0.0173077 0.0099926 0.0282633), wk = 0.0024691 k( 181) = ( 0.0115385 0.0066617 0.0188422), wk = 0.0024691 k( 182) = ( 0.0057692 0.0033309 0.0094211), wk = 0.0024691 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024691 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024691 k( 185) = ( 0.0094340 0.0054467 0.0038514), wk = 0.0024691 k( 186) = ( 0.0188679 0.0108934 0.0077028), wk = 0.0024691 k( 187) = ( 0.0283019 0.0163401 0.0115542), wk = 0.0024691 k( 188) = ( 0.0377359 0.0217868 0.0154056), wk = 0.0024691 k( 189) = ( 0.0471698 0.0272335 0.0192570), wk = 0.0024691 k( 190) = ( 0.0566038 0.0326802 0.0231084), wk = 0.0024691 k( 191) = ( 0.0660377 0.0381269 0.0269598), wk = 0.0024691 k( 192) = ( 0.0754717 0.0435736 0.0308112), wk = 0.0024691 k( 193) = ( 0.0849057 0.0490203 0.0346626), wk = 0.0024691 k( 194) = ( 0.0943396 0.0544670 0.0385140), wk = 0.0024691 k( 195) = ( 0.1037736 0.0599137 0.0423654), wk = 0.0024691 k( 196) = ( 0.1132076 0.0653604 0.0462168), wk = 0.0024691 k( 197) = ( 0.1226415 0.0708071 0.0500682), wk = 0.0024691 k( 198) = ( 0.1320755 0.0762538 0.0539196), wk = 0.0024691 k( 199) = ( 0.1415094 0.0817005 0.0577710), wk = 0.0024691 k( 200) = ( 0.1509434 0.0871472 0.0616224), wk = 0.0024691 k( 201) = ( 0.1603774 0.0925939 0.0654738), wk = 0.0024691 k( 202) = ( 0.1698113 0.0980406 0.0693252), wk = 0.0024691 k( 203) = ( 0.1792453 0.1034873 0.0731766), wk = 0.0024691 k( 204) = ( 0.1886792 0.1089340 0.0770280), wk = 0.0024691 k( 205) = ( 0.1981132 0.1143807 0.0808794), wk = 0.0024691 k( 206) = ( 0.2075472 0.1198274 0.0847308), wk = 0.0024691 k( 207) = ( 0.2169811 0.1252741 0.0885822), wk = 0.0024691 k( 208) = ( 0.2264151 0.1307208 0.0924336), wk = 0.0024691 k( 209) = ( 0.2358491 0.1361675 0.0962850), wk = 0.0024691 k( 210) = ( 0.2452830 0.1416142 0.1001364), wk = 0.0024691 k( 211) = ( 0.2547170 0.1470609 0.1039878), wk = 0.0024691 k( 212) = ( 0.2641509 0.1525076 0.1078392), wk = 0.0024691 k( 213) = ( 0.2735849 0.1579543 0.1116906), wk = 0.0024691 k( 214) = ( 0.2830189 0.1634010 0.1155420), wk = 0.0024691 k( 215) = ( 0.2924528 0.1688477 0.1193934), wk = 0.0024691 k( 216) = ( 0.3018868 0.1742944 0.1232448), wk = 0.0024691 k( 217) = ( 0.3113207 0.1797411 0.1270962), wk = 0.0024691 k( 218) = ( 0.3207547 0.1851878 0.1309476), wk = 0.0024691 k( 219) = ( 0.3301887 0.1906345 0.1347990), wk = 0.0024691 k( 220) = ( 0.3396226 0.1960812 0.1386504), wk = 0.0024691 k( 221) = ( 0.3490566 0.2015279 0.1425018), wk = 0.0024691 k( 222) = ( 0.3584906 0.2069746 0.1463532), wk = 0.0024691 k( 223) = ( 0.3679245 0.2124213 0.1502046), wk = 0.0024691 k( 224) = ( 0.3773585 0.2178680 0.1540560), wk = 0.0024691 k( 225) = ( 0.3867925 0.2233147 0.1579074), wk = 0.0024691 k( 226) = ( 0.3962264 0.2287614 0.1617588), wk = 0.0024691 k( 227) = ( 0.4056604 0.2342081 0.1656102), wk = 0.0024691 k( 228) = ( 0.4150943 0.2396548 0.1694616), wk = 0.0024691 k( 229) = ( 0.4245283 0.2451015 0.1733130), wk = 0.0024691 k( 230) = ( 0.4339623 0.2505482 0.1771644), wk = 0.0024691 k( 231) = ( 0.4433962 0.2559949 0.1810158), wk = 0.0024691 k( 232) = ( 0.4528302 0.2614416 0.1848672), wk = 0.0024691 k( 233) = ( 0.4622641 0.2668883 0.1887185), wk = 0.0024691 k( 234) = ( 0.4716981 0.2723350 0.1925699), wk = 0.0024691 k( 235) = ( 0.4811321 0.2777817 0.1964213), wk = 0.0024691 k( 236) = ( 0.4905660 0.2832284 0.2002727), wk = 0.0024691 k( 237) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024691 k( 238) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024691 k( 239) = ( 0.5032895 0.2791792 0.2094958), wk = 0.0024691 k( 240) = ( 0.5065789 0.2696834 0.2148675), wk = 0.0024691 k( 241) = ( 0.5098684 0.2601875 0.2202392), wk = 0.0024691 k( 242) = ( 0.5131579 0.2506916 0.2256109), wk = 0.0024691 k( 243) = ( 0.5164474 0.2411957 0.2309826), wk = 0.0024691 k( 244) = ( 0.5197368 0.2316998 0.2363543), wk = 0.0024691 k( 245) = ( 0.5230263 0.2222039 0.2417260), wk = 0.0024691 k( 246) = ( 0.5263158 0.2127080 0.2470977), wk = 0.0024691 k( 247) = ( 0.5296053 0.2032121 0.2524693), wk = 0.0024691 k( 248) = ( 0.5328947 0.1937162 0.2578410), wk = 0.0024691 k( 249) = ( 0.5361842 0.1842203 0.2632127), wk = 0.0024691 k( 250) = ( 0.5394737 0.1747244 0.2685844), wk = 0.0024691 k( 251) = ( 0.5427632 0.1652285 0.2739561), wk = 0.0024691 k( 252) = ( 0.5460526 0.1557326 0.2793278), wk = 0.0024691 k( 253) = ( 0.5493421 0.1462367 0.2846995), wk = 0.0024691 k( 254) = ( 0.5526316 0.1367409 0.2900712), wk = 0.0024691 k( 255) = ( 0.5559211 0.1272450 0.2954428), wk = 0.0024691 k( 256) = ( 0.5592105 0.1177491 0.3008145), wk = 0.0024691 k( 257) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0024691 k( 258) = ( 0.5657895 0.0987573 0.3115579), wk = 0.0024691 k( 259) = ( 0.5690789 0.0892614 0.3169296), wk = 0.0024691 k( 260) = ( 0.5723684 0.0797655 0.3223013), wk = 0.0024691 k( 261) = ( 0.5756579 0.0702696 0.3276730), wk = 0.0024691 k( 262) = ( 0.5789474 0.0607737 0.3330447), wk = 0.0024691 k( 263) = ( 0.5822368 0.0512778 0.3384163), wk = 0.0024691 k( 264) = ( 0.5855263 0.0417819 0.3437880), wk = 0.0024691 k( 265) = ( 0.5888158 0.0322860 0.3491597), wk = 0.0024691 k( 266) = ( 0.5921053 0.0227901 0.3545314), wk = 0.0024691 k( 267) = ( 0.5953947 0.0132943 0.3599031), wk = 0.0024691 k( 268) = ( 0.5986842 0.0037984 0.3652748), wk = 0.0024691 k( 269) = ( 0.6019737 -0.0056975 0.3706465), wk = 0.0024691 k( 270) = ( 0.6052632 -0.0151934 0.3760182), wk = 0.0024691 k( 271) = ( 0.6085526 -0.0246893 0.3813898), wk = 0.0024691 k( 272) = ( 0.6118421 -0.0341852 0.3867615), wk = 0.0024691 k( 273) = ( 0.6151316 -0.0436811 0.3921332), wk = 0.0024691 k( 274) = ( 0.6184211 -0.0531770 0.3975049), wk = 0.0024691 k( 275) = ( 0.6217105 -0.0626729 0.4028766), wk = 0.0024691 k( 276) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0024691 k( 277) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0024691 k( 278) = ( 0.6193182 -0.0688884 0.4175267), wk = 0.0024691 k( 279) = ( 0.6136364 -0.0656080 0.4268050), wk = 0.0024691 k( 280) = ( 0.6079545 -0.0623276 0.4360834), wk = 0.0024691 k( 281) = ( 0.6022727 -0.0590472 0.4453618), wk = 0.0024691 k( 282) = ( 0.5965909 -0.0557668 0.4546401), wk = 0.0024691 k( 283) = ( 0.5909091 -0.0524864 0.4639185), wk = 0.0024691 k( 284) = ( 0.5852273 -0.0492060 0.4731969), wk = 0.0024691 k( 285) = ( 0.5795455 -0.0459256 0.4824753), wk = 0.0024691 k( 286) = ( 0.5738636 -0.0426452 0.4917536), wk = 0.0024691 k( 287) = ( 0.5681818 -0.0393648 0.5010320), wk = 0.0024691 k( 288) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0024691 k( 289) = ( 0.5568182 -0.0328040 0.5195887), wk = 0.0024691 k( 290) = ( 0.5511364 -0.0295236 0.5288671), wk = 0.0024691 k( 291) = ( 0.5454545 -0.0262432 0.5381455), wk = 0.0024691 k( 292) = ( 0.5397727 -0.0229628 0.5474238), wk = 0.0024691 k( 293) = ( 0.5340909 -0.0196824 0.5567022), wk = 0.0024691 k( 294) = ( 0.5284091 -0.0164020 0.5659806), wk = 0.0024691 k( 295) = ( 0.5227273 -0.0131216 0.5752590), wk = 0.0024691 k( 296) = ( 0.5170455 -0.0098412 0.5845373), wk = 0.0024691 k( 297) = ( 0.5113636 -0.0065608 0.5938157), wk = 0.0024691 k( 298) = ( 0.5056818 -0.0032804 0.6030941), wk = 0.0024691 k( 299) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0024691 k( 300) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0024691 k( 301) = ( 0.5000000 0.0067134 0.6028783), wk = 0.0024691 k( 302) = ( 0.5000000 0.0134268 0.5933841), wk = 0.0024691 k( 303) = ( 0.5000000 0.0201401 0.5838900), wk = 0.0024691 k( 304) = ( 0.5000000 0.0268535 0.5743959), wk = 0.0024691 k( 305) = ( 0.5000000 0.0335669 0.5649017), wk = 0.0024691 k( 306) = ( 0.5000000 0.0402803 0.5554076), wk = 0.0024691 k( 307) = ( 0.5000000 0.0469936 0.5459134), wk = 0.0024691 k( 308) = ( 0.5000000 0.0537070 0.5364193), wk = 0.0024691 k( 309) = ( 0.5000000 0.0604204 0.5269251), wk = 0.0024691 k( 310) = ( 0.5000000 0.0671337 0.5174310), wk = 0.0024691 k( 311) = ( 0.5000000 0.0738471 0.5079368), wk = 0.0024691 k( 312) = ( 0.5000000 0.0805605 0.4984427), wk = 0.0024691 k( 313) = ( 0.5000000 0.0872739 0.4889485), wk = 0.0024691 k( 314) = ( 0.5000000 0.0939873 0.4794544), wk = 0.0024691 k( 315) = ( 0.5000000 0.1007006 0.4699602), wk = 0.0024691 k( 316) = ( 0.5000000 0.1074140 0.4604661), wk = 0.0024691 k( 317) = ( 0.5000000 0.1141274 0.4509719), wk = 0.0024691 k( 318) = ( 0.5000000 0.1208408 0.4414778), wk = 0.0024691 k( 319) = ( 0.5000000 0.1275541 0.4319837), wk = 0.0024691 k( 320) = ( 0.5000000 0.1342675 0.4224895), wk = 0.0024691 k( 321) = ( 0.5000000 0.1409809 0.4129954), wk = 0.0024691 k( 322) = ( 0.5000000 0.1476943 0.4035012), wk = 0.0024691 k( 323) = ( 0.5000000 0.1544076 0.3940071), wk = 0.0024691 k( 324) = ( 0.5000000 0.1611210 0.3845129), wk = 0.0024691 k( 325) = ( 0.5000000 0.1678344 0.3750188), wk = 0.0024691 k( 326) = ( 0.5000000 0.1745478 0.3655246), wk = 0.0024691 k( 327) = ( 0.5000000 0.1812611 0.3560305), wk = 0.0024691 k( 328) = ( 0.5000000 0.1879745 0.3465363), wk = 0.0024691 k( 329) = ( 0.5000000 0.1946879 0.3370422), wk = 0.0024691 k( 330) = ( 0.5000000 0.2014013 0.3275481), wk = 0.0024691 k( 331) = ( 0.5000000 0.2081146 0.3180539), wk = 0.0024691 k( 332) = ( 0.5000000 0.2148280 0.3085598), wk = 0.0024691 k( 333) = ( 0.5000000 0.2215414 0.2990656), wk = 0.0024691 k( 334) = ( 0.5000000 0.2282548 0.2895715), wk = 0.0024691 k( 335) = ( 0.5000000 0.2349681 0.2800773), wk = 0.0024691 k( 336) = ( 0.5000000 0.2416815 0.2705832), wk = 0.0024691 k( 337) = ( 0.5000000 0.2483949 0.2610890), wk = 0.0024691 k( 338) = ( 0.5000000 0.2551083 0.2515949), wk = 0.0024691 k( 339) = ( 0.5000000 0.2618216 0.2421007), wk = 0.0024691 k( 340) = ( 0.5000000 0.2685350 0.2326066), wk = 0.0024691 k( 341) = ( 0.5000000 0.2752484 0.2231124), wk = 0.0024691 k( 342) = ( 0.5000000 0.2819618 0.2136183), wk = 0.0024691 k( 343) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024691 k( 344) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024691 k( 345) = ( 0.4967105 0.2867760 0.2148675), wk = 0.0024691 k( 346) = ( 0.4934211 0.2848768 0.2256109), wk = 0.0024691 k( 347) = ( 0.4901316 0.2829776 0.2363543), wk = 0.0024691 k( 348) = ( 0.4868421 0.2810784 0.2470976), wk = 0.0024691 k( 349) = ( 0.4835526 0.2791792 0.2578410), wk = 0.0024691 k( 350) = ( 0.4802632 0.2772801 0.2685844), wk = 0.0024691 k( 351) = ( 0.4769737 0.2753809 0.2793278), wk = 0.0024691 k( 352) = ( 0.4736842 0.2734817 0.2900712), wk = 0.0024691 k( 353) = ( 0.4703947 0.2715825 0.3008145), wk = 0.0024691 k( 354) = ( 0.4671053 0.2696833 0.3115579), wk = 0.0024691 k( 355) = ( 0.4638158 0.2677842 0.3223013), wk = 0.0024691 k( 356) = ( 0.4605263 0.2658850 0.3330447), wk = 0.0024691 k( 357) = ( 0.4572368 0.2639858 0.3437880), wk = 0.0024691 k( 358) = ( 0.4539474 0.2620866 0.3545314), wk = 0.0024691 k( 359) = ( 0.4506579 0.2601875 0.3652748), wk = 0.0024691 k( 360) = ( 0.4473684 0.2582883 0.3760182), wk = 0.0024691 k( 361) = ( 0.4440789 0.2563891 0.3867615), wk = 0.0024691 k( 362) = ( 0.4407895 0.2544899 0.3975049), wk = 0.0024691 k( 363) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0024691 k( 364) = ( 0.4342105 0.2506916 0.4189917), wk = 0.0024691 k( 365) = ( 0.4309211 0.2487924 0.4297350), wk = 0.0024691 k( 366) = ( 0.4276316 0.2468932 0.4404784), wk = 0.0024691 k( 367) = ( 0.4243421 0.2449940 0.4512218), wk = 0.0024691 k( 368) = ( 0.4210526 0.2430948 0.4619652), wk = 0.0024691 k( 369) = ( 0.4177632 0.2411957 0.4727085), wk = 0.0024691 k( 370) = ( 0.4144737 0.2392965 0.4834519), wk = 0.0024691 k( 371) = ( 0.4111842 0.2373973 0.4941953), wk = 0.0024691 k( 372) = ( 0.4078947 0.2354981 0.5049387), wk = 0.0024691 k( 373) = ( 0.4046053 0.2335990 0.5156820), wk = 0.0024691 k( 374) = ( 0.4013158 0.2316998 0.5264254), wk = 0.0024691 k( 375) = ( 0.3980263 0.2298006 0.5371688), wk = 0.0024691 k( 376) = ( 0.3947368 0.2279014 0.5479122), wk = 0.0024691 k( 377) = ( 0.3914474 0.2260022 0.5586556), wk = 0.0024691 k( 378) = ( 0.3881579 0.2241031 0.5693989), wk = 0.0024691 k( 379) = ( 0.3848684 0.2222039 0.5801423), wk = 0.0024691 k( 380) = ( 0.3815789 0.2203047 0.5908857), wk = 0.0024691 k( 381) = ( 0.3782895 0.2184055 0.6016291), wk = 0.0024691 k( 382) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0024691 k( 383) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0024691 k( 384) = ( 0.6193182 -0.0820100 0.4082483), wk = 0.0024691 k( 385) = ( 0.6136364 -0.0918512 0.4082483), wk = 0.0024691 k( 386) = ( 0.6079545 -0.1016924 0.4082483), wk = 0.0024691 k( 387) = ( 0.6022727 -0.1115336 0.4082483), wk = 0.0024691 k( 388) = ( 0.5965909 -0.1213748 0.4082483), wk = 0.0024691 k( 389) = ( 0.5909091 -0.1312160 0.4082483), wk = 0.0024691 k( 390) = ( 0.5852273 -0.1410572 0.4082483), wk = 0.0024691 k( 391) = ( 0.5795455 -0.1508984 0.4082483), wk = 0.0024691 k( 392) = ( 0.5738636 -0.1607396 0.4082483), wk = 0.0024691 k( 393) = ( 0.5681818 -0.1705808 0.4082483), wk = 0.0024691 k( 394) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0024691 k( 395) = ( 0.5568182 -0.1902632 0.4082483), wk = 0.0024691 k( 396) = ( 0.5511364 -0.2001043 0.4082483), wk = 0.0024691 k( 397) = ( 0.5454545 -0.2099456 0.4082483), wk = 0.0024691 k( 398) = ( 0.5397727 -0.2197868 0.4082483), wk = 0.0024691 k( 399) = ( 0.5340909 -0.2296279 0.4082483), wk = 0.0024691 k( 400) = ( 0.5284091 -0.2394691 0.4082483), wk = 0.0024691 k( 401) = ( 0.5227273 -0.2493103 0.4082483), wk = 0.0024691 k( 402) = ( 0.5170455 -0.2591515 0.4082483), wk = 0.0024691 k( 403) = ( 0.5113636 -0.2689927 0.4082483), wk = 0.0024691 k( 404) = ( 0.5056818 -0.2788339 0.4082483), wk = 0.0024691 k( 405) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0024691 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024691 k( 2) = ( 0.0081967 -0.0000000 0.0081967), wk = 0.0024691 k( 3) = ( 0.0163934 -0.0000000 0.0163934), wk = 0.0024691 k( 4) = ( 0.0245902 -0.0000000 0.0245902), wk = 0.0024691 k( 5) = ( 0.0327869 0.0000000 0.0327869), wk = 0.0024691 k( 6) = ( 0.0409836 -0.0000000 0.0409836), wk = 0.0024691 k( 7) = ( 0.0491803 -0.0000000 0.0491803), wk = 0.0024691 k( 8) = ( 0.0573770 -0.0000000 0.0573771), wk = 0.0024691 k( 9) = ( 0.0655738 -0.0000000 0.0655738), wk = 0.0024691 k( 10) = ( 0.0737705 0.0000000 0.0737705), wk = 0.0024691 k( 11) = ( 0.0819672 -0.0000000 0.0819672), wk = 0.0024691 k( 12) = ( 0.0901639 -0.0000000 0.0901639), wk = 0.0024691 k( 13) = ( 0.0983607 -0.0000000 0.0983607), wk = 0.0024691 k( 14) = ( 0.1065574 -0.0000000 0.1065574), wk = 0.0024691 k( 15) = ( 0.1147541 -0.0000000 0.1147541), wk = 0.0024691 k( 16) = ( 0.1229508 -0.0000000 0.1229508), wk = 0.0024691 k( 17) = ( 0.1311475 -0.0000000 0.1311475), wk = 0.0024691 k( 18) = ( 0.1393443 0.0000000 0.1393443), wk = 0.0024691 k( 19) = ( 0.1475410 0.0000000 0.1475410), wk = 0.0024691 k( 20) = ( 0.1557377 -0.0000000 0.1557377), wk = 0.0024691 k( 21) = ( 0.1639344 -0.0000000 0.1639344), wk = 0.0024691 k( 22) = ( 0.1721312 0.0000000 0.1721312), wk = 0.0024691 k( 23) = ( 0.1803279 -0.0000000 0.1803279), wk = 0.0024691 k( 24) = ( 0.1885246 -0.0000000 0.1885246), wk = 0.0024691 k( 25) = ( 0.1967213 -0.0000000 0.1967213), wk = 0.0024691 k( 26) = ( 0.2049180 -0.0000000 0.2049180), wk = 0.0024691 k( 27) = ( 0.2131147 -0.0000000 0.2131148), wk = 0.0024691 k( 28) = ( 0.2213115 -0.0000000 0.2213115), wk = 0.0024691 k( 29) = ( 0.2295082 -0.0000000 0.2295082), wk = 0.0024691 k( 30) = ( 0.2377049 -0.0000000 0.2377049), wk = 0.0024691 k( 31) = ( 0.2459016 -0.0000000 0.2459016), wk = 0.0024691 k( 32) = ( 0.2540984 0.0000000 0.2540984), wk = 0.0024691 k( 33) = ( 0.2622951 -0.0000000 0.2622951), wk = 0.0024691 k( 34) = ( 0.2704918 0.0000000 0.2704918), wk = 0.0024691 k( 35) = ( 0.2786885 0.0000000 0.2786885), wk = 0.0024691 k( 36) = ( 0.2868852 0.0000000 0.2868853), wk = 0.0024691 k( 37) = ( 0.2950820 -0.0000000 0.2950820), wk = 0.0024691 k( 38) = ( 0.3032787 0.0000000 0.3032787), wk = 0.0024691 k( 39) = ( 0.3114754 0.0000000 0.3114754), wk = 0.0024691 k( 40) = ( 0.3196721 -0.0000000 0.3196721), wk = 0.0024691 k( 41) = ( 0.3278688 0.0000000 0.3278689), wk = 0.0024691 k( 42) = ( 0.3360656 -0.0000000 0.3360656), wk = 0.0024691 k( 43) = ( 0.3442623 0.0000000 0.3442623), wk = 0.0024691 k( 44) = ( 0.3524590 -0.0000000 0.3524590), wk = 0.0024691 k( 45) = ( 0.3606557 -0.0000000 0.3606557), wk = 0.0024691 k( 46) = ( 0.3688525 -0.0000000 0.3688525), wk = 0.0024691 k( 47) = ( 0.3770492 -0.0000000 0.3770492), wk = 0.0024691 k( 48) = ( 0.3852459 -0.0000000 0.3852459), wk = 0.0024691 k( 49) = ( 0.3934426 -0.0000000 0.3934426), wk = 0.0024691 k( 50) = ( 0.4016393 -0.0000000 0.4016393), wk = 0.0024691 k( 51) = ( 0.4098361 -0.0000000 0.4098361), wk = 0.0024691 k( 52) = ( 0.4180328 -0.0000000 0.4180328), wk = 0.0024691 k( 53) = ( 0.4262295 -0.0000000 0.4262295), wk = 0.0024691 k( 54) = ( 0.4344262 -0.0000000 0.4344262), wk = 0.0024691 k( 55) = ( 0.4426230 -0.0000000 0.4426230), wk = 0.0024691 k( 56) = ( 0.4508197 -0.0000000 0.4508197), wk = 0.0024691 k( 57) = ( 0.4590164 -0.0000000 0.4590164), wk = 0.0024691 k( 58) = ( 0.4672131 -0.0000000 0.4672131), wk = 0.0024691 k( 59) = ( 0.4754098 -0.0000000 0.4754098), wk = 0.0024691 k( 60) = ( 0.4836066 -0.0000000 0.4836066), wk = 0.0024691 k( 61) = ( 0.4918033 -0.0000000 0.4918033), wk = 0.0024691 k( 62) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024691 k( 63) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024691 k( 64) = ( 0.5000000 0.0080645 0.5080645), wk = 0.0024691 k( 65) = ( 0.5000000 0.0161290 0.5161290), wk = 0.0024691 k( 66) = ( 0.5000000 0.0241935 0.5241936), wk = 0.0024691 k( 67) = ( 0.5000000 0.0322581 0.5322581), wk = 0.0024691 k( 68) = ( 0.5000000 0.0403226 0.5403226), wk = 0.0024691 k( 69) = ( 0.5000000 0.0483871 0.5483871), wk = 0.0024691 k( 70) = ( 0.5000000 0.0564516 0.5564516), wk = 0.0024691 k( 71) = ( 0.5000000 0.0645161 0.5645161), wk = 0.0024691 k( 72) = ( 0.5000000 0.0725806 0.5725807), wk = 0.0024691 k( 73) = ( 0.5000000 0.0806452 0.5806452), wk = 0.0024691 k( 74) = ( 0.5000000 0.0887097 0.5887097), wk = 0.0024691 k( 75) = ( 0.5000000 0.0967742 0.5967742), wk = 0.0024691 k( 76) = ( 0.5000000 0.1048387 0.6048387), wk = 0.0024691 k( 77) = ( 0.5000000 0.1129032 0.6129032), wk = 0.0024691 k( 78) = ( 0.5000000 0.1209677 0.6209677), wk = 0.0024691 k( 79) = ( 0.5000000 0.1290323 0.6290323), wk = 0.0024691 k( 80) = ( 0.5000000 0.1370968 0.6370968), wk = 0.0024691 k( 81) = ( 0.5000000 0.1451613 0.6451613), wk = 0.0024691 k( 82) = ( 0.5000000 0.1532258 0.6532258), wk = 0.0024691 k( 83) = ( 0.5000000 0.1612903 0.6612903), wk = 0.0024691 k( 84) = ( 0.5000000 0.1693548 0.6693548), wk = 0.0024691 k( 85) = ( 0.5000000 0.1774194 0.6774194), wk = 0.0024691 k( 86) = ( 0.5000000 0.1854839 0.6854839), wk = 0.0024691 k( 87) = ( 0.5000000 0.1935484 0.6935484), wk = 0.0024691 k( 88) = ( 0.5000000 0.2016129 0.7016129), wk = 0.0024691 k( 89) = ( 0.5000000 0.2096774 0.7096774), wk = 0.0024691 k( 90) = ( 0.5000000 0.2177419 0.7177419), wk = 0.0024691 k( 91) = ( 0.5000000 0.2258064 0.7258065), wk = 0.0024691 k( 92) = ( 0.5000000 0.2338710 0.7338710), wk = 0.0024691 k( 93) = ( 0.5000000 0.2419355 0.7419355), wk = 0.0024691 k( 94) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024691 k( 95) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024691 k( 96) = ( 0.4943182 0.2556818 0.7500000), wk = 0.0024691 k( 97) = ( 0.4886364 0.2613636 0.7500000), wk = 0.0024691 k( 98) = ( 0.4829545 0.2670455 0.7500000), wk = 0.0024691 k( 99) = ( 0.4772727 0.2727273 0.7500000), wk = 0.0024691 k( 100) = ( 0.4715909 0.2784091 0.7500000), wk = 0.0024691 k( 101) = ( 0.4659091 0.2840909 0.7500000), wk = 0.0024691 k( 102) = ( 0.4602273 0.2897727 0.7500000), wk = 0.0024691 k( 103) = ( 0.4545455 0.2954545 0.7500000), wk = 0.0024691 k( 104) = ( 0.4488636 0.3011364 0.7500000), wk = 0.0024691 k( 105) = ( 0.4431818 0.3068182 0.7500000), wk = 0.0024691 k( 106) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0024691 k( 107) = ( 0.4318182 0.3181818 0.7500000), wk = 0.0024691 k( 108) = ( 0.4261364 0.3238636 0.7500000), wk = 0.0024691 k( 109) = ( 0.4204545 0.3295455 0.7500000), wk = 0.0024691 k( 110) = ( 0.4147727 0.3352273 0.7500000), wk = 0.0024691 k( 111) = ( 0.4090909 0.3409091 0.7500000), wk = 0.0024691 k( 112) = ( 0.4034091 0.3465909 0.7500000), wk = 0.0024691 k( 113) = ( 0.3977273 0.3522727 0.7500000), wk = 0.0024691 k( 114) = ( 0.3920455 0.3579545 0.7500000), wk = 0.0024691 k( 115) = ( 0.3863636 0.3636364 0.7500000), wk = 0.0024691 k( 116) = ( 0.3806818 0.3693182 0.7500000), wk = 0.0024691 k( 117) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0024691 k( 118) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0024691 k( 119) = ( 0.3692308 0.3692308 0.7384615), wk = 0.0024691 k( 120) = ( 0.3634615 0.3634615 0.7269231), wk = 0.0024691 k( 121) = ( 0.3576923 0.3576923 0.7153846), wk = 0.0024691 k( 122) = ( 0.3519231 0.3519231 0.7038462), wk = 0.0024691 k( 123) = ( 0.3461538 0.3461538 0.6923077), wk = 0.0024691 k( 124) = ( 0.3403846 0.3403846 0.6807692), wk = 0.0024691 k( 125) = ( 0.3346154 0.3346154 0.6692308), wk = 0.0024691 k( 126) = ( 0.3288462 0.3288462 0.6576923), wk = 0.0024691 k( 127) = ( 0.3230769 0.3230769 0.6461539), wk = 0.0024691 k( 128) = ( 0.3173077 0.3173077 0.6346154), wk = 0.0024691 k( 129) = ( 0.3115385 0.3115385 0.6230769), wk = 0.0024691 k( 130) = ( 0.3057692 0.3057692 0.6115385), wk = 0.0024691 k( 131) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0024691 k( 132) = ( 0.2942308 0.2942308 0.5884615), wk = 0.0024691 k( 133) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0024691 k( 134) = ( 0.2826923 0.2826923 0.5653846), wk = 0.0024691 k( 135) = ( 0.2769231 0.2769231 0.5538462), wk = 0.0024691 k( 136) = ( 0.2711538 0.2711538 0.5423077), wk = 0.0024691 k( 137) = ( 0.2653846 0.2653846 0.5307692), wk = 0.0024691 k( 138) = ( 0.2596154 0.2596154 0.5192308), wk = 0.0024691 k( 139) = ( 0.2538461 0.2538462 0.5076923), wk = 0.0024691 k( 140) = ( 0.2480769 0.2480769 0.4961539), wk = 0.0024691 k( 141) = ( 0.2423077 0.2423077 0.4846154), wk = 0.0024691 k( 142) = ( 0.2365385 0.2365385 0.4730769), wk = 0.0024691 k( 143) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0024691 k( 144) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0024691 k( 145) = ( 0.2192308 0.2192308 0.4384615), wk = 0.0024691 k( 146) = ( 0.2134615 0.2134615 0.4269231), wk = 0.0024691 k( 147) = ( 0.2076923 0.2076923 0.4153846), wk = 0.0024691 k( 148) = ( 0.2019231 0.2019231 0.4038462), wk = 0.0024691 k( 149) = ( 0.1961538 0.1961539 0.3923077), wk = 0.0024691 k( 150) = ( 0.1903846 0.1903846 0.3807692), wk = 0.0024691 k( 151) = ( 0.1846154 0.1846154 0.3692308), wk = 0.0024691 k( 152) = ( 0.1788462 0.1788462 0.3576923), wk = 0.0024691 k( 153) = ( 0.1730769 0.1730769 0.3461539), wk = 0.0024691 k( 154) = ( 0.1673077 0.1673077 0.3346154), wk = 0.0024691 k( 155) = ( 0.1615385 0.1615385 0.3230769), wk = 0.0024691 k( 156) = ( 0.1557692 0.1557692 0.3115385), wk = 0.0024691 k( 157) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0024691 k( 158) = ( 0.1442308 0.1442308 0.2884615), wk = 0.0024691 k( 159) = ( 0.1384615 0.1384615 0.2769231), wk = 0.0024691 k( 160) = ( 0.1326923 0.1326923 0.2653846), wk = 0.0024691 k( 161) = ( 0.1269231 0.1269231 0.2538462), wk = 0.0024691 k( 162) = ( 0.1211538 0.1211539 0.2423077), wk = 0.0024691 k( 163) = ( 0.1153846 0.1153846 0.2307692), wk = 0.0024691 k( 164) = ( 0.1096154 0.1096154 0.2192308), wk = 0.0024691 k( 165) = ( 0.1038461 0.1038462 0.2076923), wk = 0.0024691 k( 166) = ( 0.0980769 0.0980769 0.1961539), wk = 0.0024691 k( 167) = ( 0.0923077 0.0923077 0.1846154), wk = 0.0024691 k( 168) = ( 0.0865385 0.0865385 0.1730769), wk = 0.0024691 k( 169) = ( 0.0807692 0.0807692 0.1615385), wk = 0.0024691 k( 170) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0024691 k( 171) = ( 0.0692308 0.0692308 0.1384615), wk = 0.0024691 k( 172) = ( 0.0634615 0.0634615 0.1269231), wk = 0.0024691 k( 173) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0024691 k( 174) = ( 0.0519231 0.0519231 0.1038462), wk = 0.0024691 k( 175) = ( 0.0461539 0.0461539 0.0923077), wk = 0.0024691 k( 176) = ( 0.0403846 0.0403846 0.0807692), wk = 0.0024691 k( 177) = ( 0.0346154 0.0346154 0.0692308), wk = 0.0024691 k( 178) = ( 0.0288462 0.0288462 0.0576923), wk = 0.0024691 k( 179) = ( 0.0230769 0.0230769 0.0461539), wk = 0.0024691 k( 180) = ( 0.0173077 0.0173077 0.0346154), wk = 0.0024691 k( 181) = ( 0.0115385 0.0115385 0.0230769), wk = 0.0024691 k( 182) = ( 0.0057692 0.0057692 0.0115385), wk = 0.0024691 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024691 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024691 k( 185) = ( 0.0094340 0.0094340 0.0094340), wk = 0.0024691 k( 186) = ( 0.0188679 0.0188679 0.0188679), wk = 0.0024691 k( 187) = ( 0.0283019 0.0283019 0.0283019), wk = 0.0024691 k( 188) = ( 0.0377359 0.0377359 0.0377359), wk = 0.0024691 k( 189) = ( 0.0471698 0.0471698 0.0471698), wk = 0.0024691 k( 190) = ( 0.0566038 0.0566038 0.0566038), wk = 0.0024691 k( 191) = ( 0.0660377 0.0660377 0.0660377), wk = 0.0024691 k( 192) = ( 0.0754717 0.0754717 0.0754717), wk = 0.0024691 k( 193) = ( 0.0849057 0.0849057 0.0849057), wk = 0.0024691 k( 194) = ( 0.0943396 0.0943396 0.0943396), wk = 0.0024691 k( 195) = ( 0.1037736 0.1037736 0.1037736), wk = 0.0024691 k( 196) = ( 0.1132076 0.1132076 0.1132076), wk = 0.0024691 k( 197) = ( 0.1226415 0.1226415 0.1226415), wk = 0.0024691 k( 198) = ( 0.1320755 0.1320755 0.1320755), wk = 0.0024691 k( 199) = ( 0.1415094 0.1415094 0.1415094), wk = 0.0024691 k( 200) = ( 0.1509434 0.1509434 0.1509434), wk = 0.0024691 k( 201) = ( 0.1603774 0.1603774 0.1603774), wk = 0.0024691 k( 202) = ( 0.1698113 0.1698113 0.1698113), wk = 0.0024691 k( 203) = ( 0.1792453 0.1792453 0.1792453), wk = 0.0024691 k( 204) = ( 0.1886792 0.1886792 0.1886792), wk = 0.0024691 k( 205) = ( 0.1981132 0.1981132 0.1981132), wk = 0.0024691 k( 206) = ( 0.2075472 0.2075472 0.2075472), wk = 0.0024691 k( 207) = ( 0.2169811 0.2169811 0.2169811), wk = 0.0024691 k( 208) = ( 0.2264151 0.2264151 0.2264151), wk = 0.0024691 k( 209) = ( 0.2358491 0.2358491 0.2358491), wk = 0.0024691 k( 210) = ( 0.2452830 0.2452830 0.2452830), wk = 0.0024691 k( 211) = ( 0.2547170 0.2547170 0.2547170), wk = 0.0024691 k( 212) = ( 0.2641509 0.2641509 0.2641509), wk = 0.0024691 k( 213) = ( 0.2735849 0.2735849 0.2735849), wk = 0.0024691 k( 214) = ( 0.2830189 0.2830189 0.2830189), wk = 0.0024691 k( 215) = ( 0.2924528 0.2924528 0.2924528), wk = 0.0024691 k( 216) = ( 0.3018868 0.3018868 0.3018868), wk = 0.0024691 k( 217) = ( 0.3113207 0.3113208 0.3113208), wk = 0.0024691 k( 218) = ( 0.3207547 0.3207547 0.3207547), wk = 0.0024691 k( 219) = ( 0.3301887 0.3301887 0.3301887), wk = 0.0024691 k( 220) = ( 0.3396226 0.3396226 0.3396226), wk = 0.0024691 k( 221) = ( 0.3490566 0.3490566 0.3490566), wk = 0.0024691 k( 222) = ( 0.3584906 0.3584906 0.3584906), wk = 0.0024691 k( 223) = ( 0.3679245 0.3679245 0.3679245), wk = 0.0024691 k( 224) = ( 0.3773585 0.3773585 0.3773585), wk = 0.0024691 k( 225) = ( 0.3867925 0.3867925 0.3867925), wk = 0.0024691 k( 226) = ( 0.3962264 0.3962264 0.3962264), wk = 0.0024691 k( 227) = ( 0.4056604 0.4056604 0.4056604), wk = 0.0024691 k( 228) = ( 0.4150943 0.4150943 0.4150943), wk = 0.0024691 k( 229) = ( 0.4245283 0.4245283 0.4245283), wk = 0.0024691 k( 230) = ( 0.4339623 0.4339623 0.4339623), wk = 0.0024691 k( 231) = ( 0.4433962 0.4433962 0.4433962), wk = 0.0024691 k( 232) = ( 0.4528302 0.4528302 0.4528302), wk = 0.0024691 k( 233) = ( 0.4622641 0.4622641 0.4622641), wk = 0.0024691 k( 234) = ( 0.4716981 0.4716981 0.4716981), wk = 0.0024691 k( 235) = ( 0.4811321 0.4811321 0.4811321), wk = 0.0024691 k( 236) = ( 0.4905660 0.4905660 0.4905660), wk = 0.0024691 k( 237) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024691 k( 238) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024691 k( 239) = ( 0.5032895 0.4934211 0.5032895), wk = 0.0024691 k( 240) = ( 0.5065789 0.4868421 0.5065790), wk = 0.0024691 k( 241) = ( 0.5098684 0.4802632 0.5098684), wk = 0.0024691 k( 242) = ( 0.5131579 0.4736842 0.5131579), wk = 0.0024691 k( 243) = ( 0.5164474 0.4671053 0.5164474), wk = 0.0024691 k( 244) = ( 0.5197368 0.4605263 0.5197368), wk = 0.0024691 k( 245) = ( 0.5230263 0.4539474 0.5230263), wk = 0.0024691 k( 246) = ( 0.5263158 0.4473684 0.5263158), wk = 0.0024691 k( 247) = ( 0.5296053 0.4407895 0.5296053), wk = 0.0024691 k( 248) = ( 0.5328947 0.4342105 0.5328947), wk = 0.0024691 k( 249) = ( 0.5361842 0.4276316 0.5361842), wk = 0.0024691 k( 250) = ( 0.5394737 0.4210526 0.5394737), wk = 0.0024691 k( 251) = ( 0.5427632 0.4144737 0.5427632), wk = 0.0024691 k( 252) = ( 0.5460526 0.4078947 0.5460526), wk = 0.0024691 k( 253) = ( 0.5493421 0.4013158 0.5493421), wk = 0.0024691 k( 254) = ( 0.5526316 0.3947368 0.5526316), wk = 0.0024691 k( 255) = ( 0.5559211 0.3881579 0.5559211), wk = 0.0024691 k( 256) = ( 0.5592105 0.3815789 0.5592105), wk = 0.0024691 k( 257) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0024691 k( 258) = ( 0.5657895 0.3684211 0.5657895), wk = 0.0024691 k( 259) = ( 0.5690789 0.3618421 0.5690790), wk = 0.0024691 k( 260) = ( 0.5723684 0.3552632 0.5723684), wk = 0.0024691 k( 261) = ( 0.5756579 0.3486842 0.5756579), wk = 0.0024691 k( 262) = ( 0.5789474 0.3421053 0.5789474), wk = 0.0024691 k( 263) = ( 0.5822368 0.3355263 0.5822368), wk = 0.0024691 k( 264) = ( 0.5855263 0.3289474 0.5855263), wk = 0.0024691 k( 265) = ( 0.5888158 0.3223684 0.5888158), wk = 0.0024691 k( 266) = ( 0.5921053 0.3157895 0.5921053), wk = 0.0024691 k( 267) = ( 0.5953947 0.3092105 0.5953947), wk = 0.0024691 k( 268) = ( 0.5986842 0.3026316 0.5986842), wk = 0.0024691 k( 269) = ( 0.6019737 0.2960526 0.6019737), wk = 0.0024691 k( 270) = ( 0.6052632 0.2894737 0.6052632), wk = 0.0024691 k( 271) = ( 0.6085526 0.2828947 0.6085526), wk = 0.0024691 k( 272) = ( 0.6118421 0.2763158 0.6118421), wk = 0.0024691 k( 273) = ( 0.6151316 0.2697368 0.6151316), wk = 0.0024691 k( 274) = ( 0.6184211 0.2631579 0.6184211), wk = 0.0024691 k( 275) = ( 0.6217105 0.2565789 0.6217105), wk = 0.0024691 k( 276) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0024691 k( 277) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0024691 k( 278) = ( 0.6193182 0.2500000 0.6306818), wk = 0.0024691 k( 279) = ( 0.6136364 0.2500000 0.6363636), wk = 0.0024691 k( 280) = ( 0.6079545 0.2500000 0.6420455), wk = 0.0024691 k( 281) = ( 0.6022727 0.2500000 0.6477273), wk = 0.0024691 k( 282) = ( 0.5965909 0.2500000 0.6534091), wk = 0.0024691 k( 283) = ( 0.5909091 0.2500000 0.6590909), wk = 0.0024691 k( 284) = ( 0.5852273 0.2500000 0.6647727), wk = 0.0024691 k( 285) = ( 0.5795455 0.2500000 0.6704546), wk = 0.0024691 k( 286) = ( 0.5738636 0.2500000 0.6761364), wk = 0.0024691 k( 287) = ( 0.5681818 0.2500000 0.6818182), wk = 0.0024691 k( 288) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0024691 k( 289) = ( 0.5568182 0.2500000 0.6931818), wk = 0.0024691 k( 290) = ( 0.5511364 0.2500000 0.6988636), wk = 0.0024691 k( 291) = ( 0.5454545 0.2500000 0.7045455), wk = 0.0024691 k( 292) = ( 0.5397727 0.2500000 0.7102273), wk = 0.0024691 k( 293) = ( 0.5340909 0.2500000 0.7159091), wk = 0.0024691 k( 294) = ( 0.5284091 0.2500000 0.7215909), wk = 0.0024691 k( 295) = ( 0.5227273 0.2500000 0.7272727), wk = 0.0024691 k( 296) = ( 0.5170455 0.2500000 0.7329546), wk = 0.0024691 k( 297) = ( 0.5113636 0.2500000 0.7386364), wk = 0.0024691 k( 298) = ( 0.5056818 0.2500000 0.7443182), wk = 0.0024691 k( 299) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024691 k( 300) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024691 k( 301) = ( 0.5000000 0.2558140 0.7441861), wk = 0.0024691 k( 302) = ( 0.5000000 0.2616279 0.7383721), wk = 0.0024691 k( 303) = ( 0.5000000 0.2674419 0.7325581), wk = 0.0024691 k( 304) = ( 0.5000000 0.2732558 0.7267442), wk = 0.0024691 k( 305) = ( 0.5000000 0.2790698 0.7209302), wk = 0.0024691 k( 306) = ( 0.5000000 0.2848837 0.7151163), wk = 0.0024691 k( 307) = ( 0.5000000 0.2906977 0.7093023), wk = 0.0024691 k( 308) = ( 0.5000000 0.2965116 0.7034884), wk = 0.0024691 k( 309) = ( 0.5000000 0.3023256 0.6976744), wk = 0.0024691 k( 310) = ( 0.5000000 0.3081395 0.6918605), wk = 0.0024691 k( 311) = ( 0.5000000 0.3139535 0.6860465), wk = 0.0024691 k( 312) = ( 0.5000000 0.3197674 0.6802326), wk = 0.0024691 k( 313) = ( 0.5000000 0.3255814 0.6744186), wk = 0.0024691 k( 314) = ( 0.5000000 0.3313953 0.6686047), wk = 0.0024691 k( 315) = ( 0.5000000 0.3372093 0.6627907), wk = 0.0024691 k( 316) = ( 0.5000000 0.3430233 0.6569767), wk = 0.0024691 k( 317) = ( 0.5000000 0.3488372 0.6511628), wk = 0.0024691 k( 318) = ( 0.5000000 0.3546512 0.6453488), wk = 0.0024691 k( 319) = ( 0.5000000 0.3604651 0.6395349), wk = 0.0024691 k( 320) = ( 0.5000000 0.3662791 0.6337209), wk = 0.0024691 k( 321) = ( 0.5000000 0.3720930 0.6279070), wk = 0.0024691 k( 322) = ( 0.5000000 0.3779070 0.6220930), wk = 0.0024691 k( 323) = ( 0.5000000 0.3837209 0.6162791), wk = 0.0024691 k( 324) = ( 0.5000000 0.3895349 0.6104651), wk = 0.0024691 k( 325) = ( 0.5000000 0.3953488 0.6046512), wk = 0.0024691 k( 326) = ( 0.5000000 0.4011628 0.5988372), wk = 0.0024691 k( 327) = ( 0.5000000 0.4069767 0.5930233), wk = 0.0024691 k( 328) = ( 0.5000000 0.4127907 0.5872093), wk = 0.0024691 k( 329) = ( 0.5000000 0.4186047 0.5813954), wk = 0.0024691 k( 330) = ( 0.5000000 0.4244186 0.5755814), wk = 0.0024691 k( 331) = ( 0.5000000 0.4302326 0.5697674), wk = 0.0024691 k( 332) = ( 0.5000000 0.4360465 0.5639535), wk = 0.0024691 k( 333) = ( 0.5000000 0.4418605 0.5581395), wk = 0.0024691 k( 334) = ( 0.5000000 0.4476744 0.5523256), wk = 0.0024691 k( 335) = ( 0.5000000 0.4534884 0.5465116), wk = 0.0024691 k( 336) = ( 0.5000000 0.4593023 0.5406977), wk = 0.0024691 k( 337) = ( 0.5000000 0.4651163 0.5348837), wk = 0.0024691 k( 338) = ( 0.5000000 0.4709302 0.5290698), wk = 0.0024691 k( 339) = ( 0.5000000 0.4767442 0.5232558), wk = 0.0024691 k( 340) = ( 0.5000000 0.4825581 0.5174419), wk = 0.0024691 k( 341) = ( 0.5000000 0.4883721 0.5116279), wk = 0.0024691 k( 342) = ( 0.5000000 0.4941861 0.5058139), wk = 0.0024691 k( 343) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024691 k( 344) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024691 k( 345) = ( 0.4967105 0.4967105 0.5065790), wk = 0.0024691 k( 346) = ( 0.4934211 0.4934211 0.5131579), wk = 0.0024691 k( 347) = ( 0.4901316 0.4901316 0.5197368), wk = 0.0024691 k( 348) = ( 0.4868421 0.4868421 0.5263158), wk = 0.0024691 k( 349) = ( 0.4835526 0.4835526 0.5328947), wk = 0.0024691 k( 350) = ( 0.4802632 0.4802632 0.5394737), wk = 0.0024691 k( 351) = ( 0.4769737 0.4769737 0.5460526), wk = 0.0024691 k( 352) = ( 0.4736842 0.4736842 0.5526316), wk = 0.0024691 k( 353) = ( 0.4703947 0.4703947 0.5592105), wk = 0.0024691 k( 354) = ( 0.4671053 0.4671053 0.5657895), wk = 0.0024691 k( 355) = ( 0.4638158 0.4638158 0.5723684), wk = 0.0024691 k( 356) = ( 0.4605263 0.4605263 0.5789474), wk = 0.0024691 k( 357) = ( 0.4572368 0.4572368 0.5855263), wk = 0.0024691 k( 358) = ( 0.4539474 0.4539474 0.5921053), wk = 0.0024691 k( 359) = ( 0.4506579 0.4506579 0.5986842), wk = 0.0024691 k( 360) = ( 0.4473684 0.4473684 0.6052632), wk = 0.0024691 k( 361) = ( 0.4440789 0.4440789 0.6118421), wk = 0.0024691 k( 362) = ( 0.4407895 0.4407895 0.6184211), wk = 0.0024691 k( 363) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0024691 k( 364) = ( 0.4342105 0.4342105 0.6315790), wk = 0.0024691 k( 365) = ( 0.4309211 0.4309211 0.6381579), wk = 0.0024691 k( 366) = ( 0.4276316 0.4276316 0.6447368), wk = 0.0024691 k( 367) = ( 0.4243421 0.4243421 0.6513158), wk = 0.0024691 k( 368) = ( 0.4210526 0.4210526 0.6578947), wk = 0.0024691 k( 369) = ( 0.4177632 0.4177632 0.6644737), wk = 0.0024691 k( 370) = ( 0.4144737 0.4144737 0.6710526), wk = 0.0024691 k( 371) = ( 0.4111842 0.4111842 0.6776316), wk = 0.0024691 k( 372) = ( 0.4078947 0.4078947 0.6842105), wk = 0.0024691 k( 373) = ( 0.4046053 0.4046053 0.6907895), wk = 0.0024691 k( 374) = ( 0.4013158 0.4013158 0.6973684), wk = 0.0024691 k( 375) = ( 0.3980263 0.3980263 0.7039474), wk = 0.0024691 k( 376) = ( 0.3947368 0.3947368 0.7105263), wk = 0.0024691 k( 377) = ( 0.3914474 0.3914474 0.7171053), wk = 0.0024691 k( 378) = ( 0.3881579 0.3881579 0.7236842), wk = 0.0024691 k( 379) = ( 0.3848684 0.3848684 0.7302632), wk = 0.0024691 k( 380) = ( 0.3815789 0.3815790 0.7368421), wk = 0.0024691 k( 381) = ( 0.3782895 0.3782895 0.7434211), wk = 0.0024691 k( 382) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0024691 k( 383) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0024691 k( 384) = ( 0.6193182 0.2386364 0.6193182), wk = 0.0024691 k( 385) = ( 0.6136364 0.2272727 0.6136364), wk = 0.0024691 k( 386) = ( 0.6079545 0.2159091 0.6079546), wk = 0.0024691 k( 387) = ( 0.6022727 0.2045454 0.6022727), wk = 0.0024691 k( 388) = ( 0.5965909 0.1931818 0.5965909), wk = 0.0024691 k( 389) = ( 0.5909091 0.1818182 0.5909091), wk = 0.0024691 k( 390) = ( 0.5852273 0.1704545 0.5852273), wk = 0.0024691 k( 391) = ( 0.5795455 0.1590909 0.5795455), wk = 0.0024691 k( 392) = ( 0.5738636 0.1477273 0.5738636), wk = 0.0024691 k( 393) = ( 0.5681818 0.1363636 0.5681818), wk = 0.0024691 k( 394) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0024691 k( 395) = ( 0.5568182 0.1136364 0.5568182), wk = 0.0024691 k( 396) = ( 0.5511364 0.1022727 0.5511364), wk = 0.0024691 k( 397) = ( 0.5454545 0.0909091 0.5454545), wk = 0.0024691 k( 398) = ( 0.5397727 0.0795454 0.5397727), wk = 0.0024691 k( 399) = ( 0.5340909 0.0681818 0.5340909), wk = 0.0024691 k( 400) = ( 0.5284091 0.0568182 0.5284091), wk = 0.0024691 k( 401) = ( 0.5227273 0.0454545 0.5227273), wk = 0.0024691 k( 402) = ( 0.5170455 0.0340909 0.5170455), wk = 0.0024691 k( 403) = ( 0.5113636 0.0227273 0.5113636), wk = 0.0024691 k( 404) = ( 0.5056818 0.0113636 0.5056818), wk = 0.0024691 k( 405) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024691 Dense grid: 15065 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 11113 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 94, 26) NL pseudopotentials 0.03 Mb ( 47, 48) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 418) G-vector shells 0.00 Mb ( 161) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.15 Mb ( 94, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.04 Mb ( 48, 2, 26) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CuBr.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.5 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 secs Computing kpt #: 5 total cpu time spent up to now is 2.7 secs Computing kpt #: 6 total cpu time spent up to now is 2.8 secs Computing kpt #: 7 total cpu time spent up to now is 2.8 secs Computing kpt #: 8 total cpu time spent up to now is 2.9 secs Computing kpt #: 9 total cpu time spent up to now is 3.0 secs Computing kpt #: 10 total cpu time spent up to now is 3.1 secs Computing kpt #: 11 total cpu time spent up to now is 3.2 secs Computing kpt #: 12 total cpu time spent up to now is 3.3 secs Computing kpt #: 13 total cpu time spent up to now is 3.4 secs Computing kpt #: 14 total cpu time spent up to now is 3.5 secs Computing kpt #: 15 total cpu time spent up to now is 3.6 secs Computing kpt #: 16 total cpu time spent up to now is 3.7 secs Computing kpt #: 17 total cpu time spent up to now is 3.8 secs Computing kpt #: 18 total cpu time spent up to now is 3.9 secs Computing kpt #: 19 total cpu time spent up to now is 4.0 secs Computing kpt #: 20 total cpu time spent up to now is 4.0 secs Computing kpt #: 21 total cpu time spent up to now is 4.1 secs Computing kpt #: 22 total cpu time spent up to now is 4.3 secs Computing kpt #: 23 total cpu time spent up to now is 4.3 secs Computing kpt #: 24 total cpu time spent up to now is 4.4 secs Computing kpt #: 25 total cpu time spent up to now is 4.5 secs Computing kpt #: 26 total cpu time spent up to now is 4.6 secs Computing kpt #: 27 total cpu time spent up to now is 4.8 secs Computing kpt #: 28 total cpu time spent up to now is 4.9 secs Computing kpt #: 29 total cpu time spent up to now is 5.0 secs Computing kpt #: 30 total cpu time spent up to now is 5.1 secs Computing kpt #: 31 total cpu time spent up to now is 5.2 secs Computing kpt #: 32 total cpu time spent up to now is 5.3 secs Computing kpt #: 33 total cpu time spent up to now is 5.4 secs Computing kpt #: 34 total cpu time spent up to now is 5.5 secs Computing kpt #: 35 total cpu time spent up to now is 5.6 secs Computing kpt #: 36 total cpu time spent up to now is 5.7 secs Computing kpt #: 37 total cpu time spent up to now is 5.8 secs Computing kpt #: 38 total cpu time spent up to now is 5.9 secs Computing kpt #: 39 total cpu time spent up to now is 6.0 secs Computing kpt #: 40 total cpu time spent up to now is 6.1 secs Computing kpt #: 41 total cpu time spent up to now is 6.2 secs Computing kpt #: 42 total cpu time spent up to now is 6.3 secs Computing kpt #: 43 total cpu time spent up to now is 6.4 secs Computing kpt #: 44 total cpu time spent up to now is 6.5 secs Computing kpt #: 45 total cpu time spent up to now is 6.6 secs Computing kpt #: 46 total cpu time spent up to now is 6.6 secs Computing kpt #: 47 total cpu time spent up to now is 6.7 secs Computing kpt #: 48 total cpu time spent up to now is 6.8 secs Computing kpt #: 49 total cpu time spent up to now is 6.9 secs Computing kpt #: 50 total cpu time spent up to now is 7.0 secs Computing kpt #: 51 total cpu time spent up to now is 7.1 secs Computing kpt #: 52 total cpu time spent up to now is 7.2 secs Computing kpt #: 53 total cpu time spent up to now is 7.3 secs Computing kpt #: 54 total cpu time spent up to now is 7.4 secs Computing kpt #: 55 total cpu time spent up to now is 7.5 secs Computing kpt #: 56 total cpu time spent up to now is 7.6 secs Computing kpt #: 57 total cpu time spent up to now is 7.7 secs Computing kpt #: 58 total cpu time spent up to now is 7.8 secs Computing kpt #: 59 total cpu time spent up to now is 7.9 secs Computing kpt #: 60 total cpu time spent up to now is 8.0 secs Computing kpt #: 61 total cpu time spent up to now is 8.0 secs Computing kpt #: 62 total cpu time spent up to now is 8.1 secs Computing kpt #: 63 total cpu time spent up to now is 8.2 secs Computing kpt #: 64 total cpu time spent up to now is 8.2 secs Computing kpt #: 65 total cpu time spent up to now is 8.3 secs Computing kpt #: 66 total cpu time spent up to now is 8.4 secs Computing kpt #: 67 total cpu time spent up to now is 8.5 secs Computing kpt #: 68 total cpu time spent up to now is 8.6 secs Computing kpt #: 69 total cpu time spent up to now is 8.6 secs Computing kpt #: 70 total cpu time spent up to now is 8.7 secs Computing kpt #: 71 total cpu time spent up to now is 8.8 secs Computing kpt #: 72 total cpu time spent up to now is 8.9 secs Computing kpt #: 73 total cpu time spent up to now is 8.9 secs Computing kpt #: 74 total cpu time spent up to now is 9.0 secs Computing kpt #: 75 total cpu time spent up to now is 9.1 secs Computing kpt #: 76 total cpu time spent up to now is 9.2 secs Computing kpt #: 77 total cpu time spent up to now is 9.2 secs Computing kpt #: 78 total cpu time spent up to now is 9.3 secs Computing kpt #: 79 total cpu time spent up to now is 9.4 secs Computing kpt #: 80 total cpu time spent up to now is 9.5 secs Computing kpt #: 81 total cpu time spent up to now is 9.6 secs Computing kpt #: 82 total cpu time spent up to now is 9.6 secs Computing kpt #: 83 total cpu time spent up to now is 9.7 secs Computing kpt #: 84 total cpu time spent up to now is 9.8 secs Computing kpt #: 85 total cpu time spent up to now is 9.9 secs Computing kpt #: 86 total cpu time spent up to now is 9.9 secs Computing kpt #: 87 total cpu time spent up to now is 10.0 secs Computing kpt #: 88 total cpu time spent up to now is 10.1 secs Computing kpt #: 89 total cpu time spent up to now is 10.1 secs Computing kpt #: 90 total cpu time spent up to now is 10.2 secs Computing kpt #: 91 total cpu time spent up to now is 10.3 secs Computing kpt #: 92 total cpu time spent up to now is 10.4 secs Computing kpt #: 93 total cpu time spent up to now is 10.4 secs Computing kpt #: 94 total cpu time spent up to now is 10.5 secs Computing kpt #: 95 total cpu time spent up to now is 10.6 secs Computing kpt #: 96 total cpu time spent up to now is 10.6 secs Computing kpt #: 97 total cpu time spent up to now is 10.7 secs Computing kpt #: 98 total cpu time spent up to now is 10.8 secs Computing kpt #: 99 total cpu time spent up to now is 10.9 secs Computing kpt #: 100 total cpu time spent up to now is 10.9 secs Computing kpt #: 101 total cpu time spent up to now is 11.0 secs Computing kpt #: 102 total cpu time spent up to now is 11.1 secs Computing kpt #: 103 total cpu time spent up to now is 11.2 secs Computing kpt #: 104 total cpu time spent up to now is 11.2 secs Computing kpt #: 105 total cpu time spent up to now is 11.3 secs Computing kpt #: 106 total cpu time spent up to now is 11.4 secs Computing kpt #: 107 total cpu time spent up to now is 11.5 secs Computing kpt #: 108 total cpu time spent up to now is 11.5 secs Computing kpt #: 109 total cpu time spent up to now is 11.6 secs Computing kpt #: 110 total cpu time spent up to now is 11.7 secs Computing kpt #: 111 total cpu time spent up to now is 11.8 secs Computing kpt #: 112 total cpu time spent up to now is 11.8 secs Computing kpt #: 113 total cpu time spent up to now is 11.9 secs Computing kpt #: 114 total cpu time spent up to now is 12.0 secs Computing kpt #: 115 total cpu time spent up to now is 12.0 secs Computing kpt #: 116 total cpu time spent up to now is 12.1 secs Computing kpt #: 117 total cpu time spent up to now is 12.2 secs Computing kpt #: 118 total cpu time spent up to now is 12.3 secs Computing kpt #: 119 total cpu time spent up to now is 12.3 secs Computing kpt #: 120 total cpu time spent up to now is 12.4 secs Computing kpt #: 121 total cpu time spent up to now is 12.5 secs Computing kpt #: 122 total cpu time spent up to now is 12.5 secs Computing kpt #: 123 total cpu time spent up to now is 12.6 secs Computing kpt #: 124 total cpu time spent up to now is 12.7 secs Computing kpt #: 125 total cpu time spent up to now is 12.8 secs Computing kpt #: 126 total cpu time spent up to now is 12.8 secs Computing kpt #: 127 total cpu time spent up to now is 12.9 secs Computing kpt #: 128 total cpu time spent up to now is 13.0 secs Computing kpt #: 129 total cpu time spent up to now is 13.0 secs Computing kpt #: 130 total cpu time spent up to now is 13.1 secs Computing kpt #: 131 total cpu time spent up to now is 13.2 secs Computing kpt #: 132 total cpu time spent up to now is 13.3 secs Computing kpt #: 133 total cpu time spent up to now is 13.3 secs Computing kpt #: 134 total cpu time spent up to now is 13.4 secs Computing kpt #: 135 total cpu time spent up to now is 13.5 secs Computing kpt #: 136 total cpu time spent up to now is 13.5 secs Computing kpt #: 137 total cpu time spent up to now is 13.6 secs Computing kpt #: 138 total cpu time spent up to now is 13.7 secs Computing kpt #: 139 total cpu time spent up to now is 13.7 secs Computing kpt #: 140 total cpu time spent up to now is 13.8 secs Computing kpt #: 141 total cpu time spent up to now is 13.9 secs Computing kpt #: 142 total cpu time spent up to now is 14.0 secs Computing kpt #: 143 total cpu time spent up to now is 14.0 secs Computing kpt #: 144 total cpu time spent up to now is 14.1 secs Computing kpt #: 145 total cpu time spent up to now is 14.2 secs Computing kpt #: 146 total cpu time spent up to now is 14.3 secs Computing kpt #: 147 total cpu time spent up to now is 14.3 secs Computing kpt #: 148 total cpu time spent up to now is 14.4 secs Computing kpt #: 149 total cpu time spent up to now is 14.5 secs Computing kpt #: 150 total cpu time spent up to now is 14.5 secs Computing kpt #: 151 total cpu time spent up to now is 14.6 secs Computing kpt #: 152 total cpu time spent up to now is 14.7 secs Computing kpt #: 153 total cpu time spent up to now is 14.8 secs Computing kpt #: 154 total cpu time spent up to now is 14.8 secs Computing kpt #: 155 total cpu time spent up to now is 14.9 secs Computing kpt #: 156 total cpu time spent up to now is 15.0 secs Computing kpt #: 157 total cpu time spent up to now is 15.0 secs Computing kpt #: 158 total cpu time spent up to now is 15.1 secs Computing kpt #: 159 total cpu time spent up to now is 15.2 secs Computing kpt #: 160 total cpu time spent up to now is 15.3 secs Computing kpt #: 161 total cpu time spent up to now is 15.3 secs Computing kpt #: 162 total cpu time spent up to now is 15.4 secs Computing kpt #: 163 total cpu time spent up to now is 15.5 secs Computing kpt #: 164 total cpu time spent up to now is 15.6 secs Computing kpt #: 165 total cpu time spent up to now is 15.6 secs Computing kpt #: 166 total cpu time spent up to now is 15.7 secs Computing kpt #: 167 total cpu time spent up to now is 15.8 secs Computing kpt #: 168 total cpu time spent up to now is 15.9 secs Computing kpt #: 169 total cpu time spent up to now is 16.0 secs Computing kpt #: 170 total cpu time spent up to now is 16.1 secs Computing kpt #: 171 total cpu time spent up to now is 16.2 secs Computing kpt #: 172 total cpu time spent up to now is 16.3 secs Computing kpt #: 173 total cpu time spent up to now is 16.4 secs Computing kpt #: 174 total cpu time spent up to now is 16.4 secs Computing kpt #: 175 total cpu time spent up to now is 16.5 secs Computing kpt #: 176 total cpu time spent up to now is 16.6 secs Computing kpt #: 177 total cpu time spent up to now is 16.7 secs Computing kpt #: 178 total cpu time spent up to now is 16.8 secs Computing kpt #: 179 total cpu time spent up to now is 16.9 secs Computing kpt #: 180 total cpu time spent up to now is 16.9 secs Computing kpt #: 181 total cpu time spent up to now is 17.0 secs Computing kpt #: 182 total cpu time spent up to now is 17.1 secs Computing kpt #: 183 total cpu time spent up to now is 17.2 secs Computing kpt #: 184 total cpu time spent up to now is 17.2 secs Computing kpt #: 185 total cpu time spent up to now is 17.3 secs Computing kpt #: 186 total cpu time spent up to now is 17.4 secs Computing kpt #: 187 total cpu time spent up to now is 17.5 secs Computing kpt #: 188 total cpu time spent up to now is 17.5 secs Computing kpt #: 189 total cpu time spent up to now is 17.6 secs Computing kpt #: 190 total cpu time spent up to now is 17.7 secs Computing kpt #: 191 total cpu time spent up to now is 17.8 secs Computing kpt #: 192 total cpu time spent up to now is 17.9 secs Computing kpt #: 193 total cpu time spent up to now is 18.0 secs Computing kpt #: 194 total cpu time spent up to now is 18.0 secs Computing kpt #: 195 total cpu time spent up to now is 18.1 secs Computing kpt #: 196 total cpu time spent up to now is 18.2 secs Computing kpt #: 197 total cpu time spent up to now is 18.3 secs Computing kpt #: 198 total cpu time spent up to now is 18.4 secs Computing kpt #: 199 total cpu time spent up to now is 18.5 secs Computing kpt #: 200 total cpu time spent up to now is 18.5 secs Computing kpt #: 201 total cpu time spent up to now is 18.6 secs Computing kpt #: 202 total cpu time spent up to now is 18.7 secs Computing kpt #: 203 total cpu time spent up to now is 18.8 secs Computing kpt #: 204 total cpu time spent up to now is 18.9 secs Computing kpt #: 205 total cpu time spent up to now is 18.9 secs Computing kpt #: 206 total cpu time spent up to now is 19.0 secs Computing kpt #: 207 total cpu time spent up to now is 19.1 secs Computing kpt #: 208 total cpu time spent up to now is 19.2 secs Computing kpt #: 209 total cpu time spent up to now is 19.2 secs Computing kpt #: 210 total cpu time spent up to now is 19.3 secs Computing kpt #: 211 total cpu time spent up to now is 19.4 secs Computing kpt #: 212 total cpu time spent up to now is 19.5 secs Computing kpt #: 213 total cpu time spent up to now is 19.5 secs Computing kpt #: 214 total cpu time spent up to now is 19.6 secs Computing kpt #: 215 total cpu time spent up to now is 19.7 secs Computing kpt #: 216 total cpu time spent up to now is 19.7 secs Computing kpt #: 217 total cpu time spent up to now is 19.8 secs Computing kpt #: 218 total cpu time spent up to now is 19.9 secs Computing kpt #: 219 total cpu time spent up to now is 19.9 secs Computing kpt #: 220 total cpu time spent up to now is 20.0 secs Computing kpt #: 221 total cpu time spent up to now is 20.1 secs Computing kpt #: 222 total cpu time spent up to now is 20.2 secs Computing kpt #: 223 total cpu time spent up to now is 20.2 secs Computing kpt #: 224 total cpu time spent up to now is 20.3 secs Computing kpt #: 225 total cpu time spent up to now is 20.4 secs Computing kpt #: 226 total cpu time spent up to now is 20.5 secs Computing kpt #: 227 total cpu time spent up to now is 20.5 secs Computing kpt #: 228 total cpu time spent up to now is 20.6 secs Computing kpt #: 229 total cpu time spent up to now is 20.7 secs Computing kpt #: 230 total cpu time spent up to now is 20.7 secs Computing kpt #: 231 total cpu time spent up to now is 20.8 secs Computing kpt #: 232 total cpu time spent up to now is 20.9 secs Computing kpt #: 233 total cpu time spent up to now is 20.9 secs Computing kpt #: 234 total cpu time spent up to now is 21.0 secs Computing kpt #: 235 total cpu time spent up to now is 21.1 secs Computing kpt #: 236 total cpu time spent up to now is 21.2 secs Computing kpt #: 237 total cpu time spent up to now is 21.2 secs Computing kpt #: 238 total cpu time spent up to now is 21.3 secs Computing kpt #: 239 total cpu time spent up to now is 21.4 secs Computing kpt #: 240 total cpu time spent up to now is 21.4 secs Computing kpt #: 241 total cpu time spent up to now is 21.5 secs Computing kpt #: 242 total cpu time spent up to now is 21.6 secs Computing kpt #: 243 total cpu time spent up to now is 21.7 secs Computing kpt #: 244 total cpu time spent up to now is 21.7 secs Computing kpt #: 245 total cpu time spent up to now is 21.8 secs Computing kpt #: 246 total cpu time spent up to now is 21.9 secs Computing kpt #: 247 total cpu time spent up to now is 21.9 secs Computing kpt #: 248 total cpu time spent up to now is 22.0 secs Computing kpt #: 249 total cpu time spent up to now is 22.1 secs Computing kpt #: 250 total cpu time spent up to now is 22.2 secs Computing kpt #: 251 total cpu time spent up to now is 22.2 secs Computing kpt #: 252 total cpu time spent up to now is 22.3 secs Computing kpt #: 253 total cpu time spent up to now is 22.4 secs Computing kpt #: 254 total cpu time spent up to now is 22.5 secs Computing kpt #: 255 total cpu time spent up to now is 22.5 secs Computing kpt #: 256 total cpu time spent up to now is 22.6 secs Computing kpt #: 257 total cpu time spent up to now is 22.7 secs Computing kpt #: 258 total cpu time spent up to now is 22.8 secs Computing kpt #: 259 total cpu time spent up to now is 22.8 secs Computing kpt #: 260 total cpu time spent up to now is 22.9 secs Computing kpt #: 261 total cpu time spent up to now is 23.0 secs Computing kpt #: 262 total cpu time spent up to now is 23.1 secs Computing kpt #: 263 total cpu time spent up to now is 23.2 secs Computing kpt #: 264 total cpu time spent up to now is 23.2 secs Computing kpt #: 265 total cpu time spent up to now is 23.3 secs Computing kpt #: 266 total cpu time spent up to now is 23.4 secs Computing kpt #: 267 total cpu time spent up to now is 23.5 secs Computing kpt #: 268 total cpu time spent up to now is 23.5 secs Computing kpt #: 269 total cpu time spent up to now is 23.6 secs Computing kpt #: 270 total cpu time spent up to now is 23.7 secs Computing kpt #: 271 total cpu time spent up to now is 23.8 secs Computing kpt #: 272 total cpu time spent up to now is 23.8 secs Computing kpt #: 273 total cpu time spent up to now is 23.9 secs Computing kpt #: 274 total cpu time spent up to now is 24.0 secs Computing kpt #: 275 total cpu time spent up to now is 24.0 secs Computing kpt #: 276 total cpu time spent up to now is 24.1 secs Computing kpt #: 277 total cpu time spent up to now is 24.2 secs Computing kpt #: 278 total cpu time spent up to now is 24.3 secs Computing kpt #: 279 total cpu time spent up to now is 24.3 secs Computing kpt #: 280 total cpu time spent up to now is 24.4 secs Computing kpt #: 281 total cpu time spent up to now is 24.5 secs Computing kpt #: 282 total cpu time spent up to now is 24.6 secs Computing kpt #: 283 total cpu time spent up to now is 24.6 secs Computing kpt #: 284 total cpu time spent up to now is 24.7 secs Computing kpt #: 285 total cpu time spent up to now is 24.8 secs Computing kpt #: 286 total cpu time spent up to now is 24.9 secs Computing kpt #: 287 total cpu time spent up to now is 24.9 secs Computing kpt #: 288 total cpu time spent up to now is 25.0 secs Computing kpt #: 289 total cpu time spent up to now is 25.1 secs Computing kpt #: 290 total cpu time spent up to now is 25.2 secs Computing kpt #: 291 total cpu time spent up to now is 25.2 secs Computing kpt #: 292 total cpu time spent up to now is 25.3 secs Computing kpt #: 293 total cpu time spent up to now is 25.4 secs Computing kpt #: 294 total cpu time spent up to now is 25.5 secs Computing kpt #: 295 total cpu time spent up to now is 25.5 secs Computing kpt #: 296 total cpu time spent up to now is 25.6 secs Computing kpt #: 297 total cpu time spent up to now is 25.7 secs Computing kpt #: 298 total cpu time spent up to now is 25.7 secs Computing kpt #: 299 total cpu time spent up to now is 25.8 secs Computing kpt #: 300 total cpu time spent up to now is 25.9 secs Computing kpt #: 301 total cpu time spent up to now is 26.0 secs Computing kpt #: 302 total cpu time spent up to now is 26.0 secs Computing kpt #: 303 total cpu time spent up to now is 26.1 secs Computing kpt #: 304 total cpu time spent up to now is 26.2 secs Computing kpt #: 305 total cpu time spent up to now is 26.3 secs Computing kpt #: 306 total cpu time spent up to now is 26.3 secs Computing kpt #: 307 total cpu time spent up to now is 26.4 secs Computing kpt #: 308 total cpu time spent up to now is 26.5 secs Computing kpt #: 309 total cpu time spent up to now is 26.6 secs Computing kpt #: 310 total cpu time spent up to now is 26.6 secs Computing kpt #: 311 total cpu time spent up to now is 26.7 secs Computing kpt #: 312 total cpu time spent up to now is 26.8 secs Computing kpt #: 313 total cpu time spent up to now is 26.9 secs Computing kpt #: 314 total cpu time spent up to now is 27.0 secs Computing kpt #: 315 total cpu time spent up to now is 27.0 secs Computing kpt #: 316 total cpu time spent up to now is 27.1 secs Computing kpt #: 317 total cpu time spent up to now is 27.2 secs Computing kpt #: 318 total cpu time spent up to now is 27.3 secs Computing kpt #: 319 total cpu time spent up to now is 27.3 secs Computing kpt #: 320 total cpu time spent up to now is 27.4 secs Computing kpt #: 321 total cpu time spent up to now is 27.5 secs Computing kpt #: 322 total cpu time spent up to now is 27.6 secs Computing kpt #: 323 total cpu time spent up to now is 27.6 secs Computing kpt #: 324 total cpu time spent up to now is 27.7 secs Computing kpt #: 325 total cpu time spent up to now is 27.8 secs Computing kpt #: 326 total cpu time spent up to now is 27.9 secs Computing kpt #: 327 total cpu time spent up to now is 28.0 secs Computing kpt #: 328 total cpu time spent up to now is 28.0 secs Computing kpt #: 329 total cpu time spent up to now is 28.1 secs Computing kpt #: 330 total cpu time spent up to now is 28.2 secs Computing kpt #: 331 total cpu time spent up to now is 28.3 secs Computing kpt #: 332 total cpu time spent up to now is 28.3 secs Computing kpt #: 333 total cpu time spent up to now is 28.4 secs Computing kpt #: 334 total cpu time spent up to now is 28.5 secs Computing kpt #: 335 total cpu time spent up to now is 28.6 secs Computing kpt #: 336 total cpu time spent up to now is 28.6 secs Computing kpt #: 337 total cpu time spent up to now is 28.7 secs Computing kpt #: 338 total cpu time spent up to now is 28.8 secs Computing kpt #: 339 total cpu time spent up to now is 28.9 secs Computing kpt #: 340 total cpu time spent up to now is 28.9 secs Computing kpt #: 341 total cpu time spent up to now is 29.0 secs Computing kpt #: 342 total cpu time spent up to now is 29.1 secs Computing kpt #: 343 total cpu time spent up to now is 29.2 secs Computing kpt #: 344 total cpu time spent up to now is 29.2 secs Computing kpt #: 345 total cpu time spent up to now is 29.3 secs Computing kpt #: 346 total cpu time spent up to now is 29.4 secs Computing kpt #: 347 total cpu time spent up to now is 29.5 secs Computing kpt #: 348 total cpu time spent up to now is 29.5 secs Computing kpt #: 349 total cpu time spent up to now is 29.6 secs Computing kpt #: 350 total cpu time spent up to now is 29.7 secs Computing kpt #: 351 total cpu time spent up to now is 29.7 secs Computing kpt #: 352 total cpu time spent up to now is 29.8 secs Computing kpt #: 353 total cpu time spent up to now is 29.9 secs Computing kpt #: 354 total cpu time spent up to now is 30.0 secs Computing kpt #: 355 total cpu time spent up to now is 30.0 secs Computing kpt #: 356 total cpu time spent up to now is 30.1 secs Computing kpt #: 357 total cpu time spent up to now is 30.2 secs Computing kpt #: 358 total cpu time spent up to now is 30.3 secs Computing kpt #: 359 total cpu time spent up to now is 30.4 secs Computing kpt #: 360 total cpu time spent up to now is 30.4 secs Computing kpt #: 361 total cpu time spent up to now is 30.5 secs Computing kpt #: 362 total cpu time spent up to now is 30.6 secs Computing kpt #: 363 total cpu time spent up to now is 30.7 secs Computing kpt #: 364 total cpu time spent up to now is 30.7 secs Computing kpt #: 365 total cpu time spent up to now is 30.8 secs Computing kpt #: 366 total cpu time spent up to now is 30.9 secs Computing kpt #: 367 total cpu time spent up to now is 31.0 secs Computing kpt #: 368 total cpu time spent up to now is 31.1 secs Computing kpt #: 369 total cpu time spent up to now is 31.1 secs Computing kpt #: 370 total cpu time spent up to now is 31.2 secs Computing kpt #: 371 total cpu time spent up to now is 31.3 secs Computing kpt #: 372 total cpu time spent up to now is 31.4 secs Computing kpt #: 373 total cpu time spent up to now is 31.4 secs Computing kpt #: 374 total cpu time spent up to now is 31.5 secs Computing kpt #: 375 total cpu time spent up to now is 31.6 secs Computing kpt #: 376 total cpu time spent up to now is 31.7 secs Computing kpt #: 377 total cpu time spent up to now is 31.8 secs Computing kpt #: 378 total cpu time spent up to now is 31.8 secs Computing kpt #: 379 total cpu time spent up to now is 31.9 secs Computing kpt #: 380 total cpu time spent up to now is 32.0 secs Computing kpt #: 381 total cpu time spent up to now is 32.1 secs Computing kpt #: 382 total cpu time spent up to now is 32.1 secs Computing kpt #: 383 total cpu time spent up to now is 32.2 secs Computing kpt #: 384 total cpu time spent up to now is 32.3 secs Computing kpt #: 385 total cpu time spent up to now is 32.4 secs Computing kpt #: 386 total cpu time spent up to now is 32.4 secs Computing kpt #: 387 total cpu time spent up to now is 32.5 secs Computing kpt #: 388 total cpu time spent up to now is 32.6 secs Computing kpt #: 389 total cpu time spent up to now is 32.7 secs Computing kpt #: 390 total cpu time spent up to now is 32.7 secs Computing kpt #: 391 total cpu time spent up to now is 32.8 secs Computing kpt #: 392 total cpu time spent up to now is 32.9 secs Computing kpt #: 393 total cpu time spent up to now is 33.0 secs Computing kpt #: 394 total cpu time spent up to now is 33.1 secs Computing kpt #: 395 total cpu time spent up to now is 33.1 secs Computing kpt #: 396 total cpu time spent up to now is 33.2 secs Computing kpt #: 397 total cpu time spent up to now is 33.3 secs Computing kpt #: 398 total cpu time spent up to now is 33.4 secs Computing kpt #: 399 total cpu time spent up to now is 33.5 secs Computing kpt #: 400 total cpu time spent up to now is 33.5 secs Computing kpt #: 401 total cpu time spent up to now is 33.6 secs Computing kpt #: 402 total cpu time spent up to now is 33.7 secs Computing kpt #: 403 total cpu time spent up to now is 33.8 secs Computing kpt #: 404 total cpu time spent up to now is 33.8 secs Computing kpt #: 405 total cpu time spent up to now is 33.9 secs ethr = 5.56E-08, avg # of iterations = 10.1 total cpu time spent up to now is 33.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1411 PWs) bands (ev): -7.7467 -7.7467 6.2989 6.2989 6.8834 6.8834 6.8834 6.8834 7.4069 7.4069 7.4069 7.4069 7.6535 7.6535 7.6649 7.6649 7.6649 7.6649 10.2142 10.2142 18.5217 18.5217 18.5217 18.5217 18.5572 18.5572 k = 0.0082-0.0047 0.0067 ( 1411 PWs) bands (ev): -7.7460 -7.7460 6.2939 6.2939 6.8696 6.8696 6.8798 6.8798 7.4076 7.4076 7.4143 7.4143 7.6552 7.6552 7.6654 7.6654 7.6702 7.6702 10.2224 10.2224 18.5147 18.5147 18.5203 18.5203 18.5538 18.5538 k = 0.0164-0.0095 0.0134 ( 1411 PWs) bands (ev): -7.7438 -7.7438 6.2787 6.2787 6.8315 6.8315 6.8694 6.8694 7.4095 7.4095 7.4337 7.4337 7.6589 7.6589 7.6680 7.6680 7.6857 7.6857 10.2471 10.2471 18.4910 18.4910 18.5160 18.5160 18.5467 18.5467 k = 0.0246-0.0142 0.0201 ( 1403 PWs) bands (ev): -7.7401 -7.7401 6.2530 6.2530 6.7767 6.7767 6.8526 6.8526 7.4123 7.4123 7.4597 7.4597 7.6608 7.6608 7.6767 7.6767 7.7104 7.7104 10.2878 10.2878 18.4492 18.4492 18.5093 18.5093 18.5395 18.5395 k = 0.0328-0.0189 0.0268 ( 1403 PWs) bands (ev): -7.7350 -7.7350 6.2160 6.2160 6.7125 6.7125 6.8303 6.8303 7.4154 7.4154 7.4877 7.4877 7.6610 7.6610 7.6907 7.6907 7.7422 7.7422 10.3440 10.3440 18.3918 18.3918 18.5003 18.5003 18.5317 18.5317 k = 0.0410-0.0237 0.0335 ( 1403 PWs) bands (ev): -7.7285 -7.7285 6.1671 6.1671 6.6449 6.6449 6.8032 6.8032 7.4185 7.4185 7.5159 7.5159 7.6606 7.6606 7.7085 7.7085 7.7785 7.7785 10.4149 10.4149 18.3220 18.3220 18.4894 18.4894 18.5233 18.5233 k = 0.0492-0.0284 0.0402 ( 1407 PWs) bands (ev): -7.7205 -7.7205 6.1058 6.1058 6.5781 6.5781 6.7723 6.7723 7.4211 7.4211 7.5436 7.5436 7.6601 7.6601 7.7295 7.7295 7.8168 7.8168 10.4996 10.4996 18.2426 18.2426 18.4772 18.4772 18.5144 18.5144 k = 0.0574-0.0331 0.0468 ( 1399 PWs) bands (ev): -7.7111 -7.7111 6.0326 6.0326 6.5146 6.5146 6.7383 6.7383 7.4232 7.4232 7.5711 7.5711 7.6595 7.6595 7.7529 7.7529 7.8555 7.8555 10.5970 10.5970 18.1560 18.1560 18.4642 18.4642 18.5053 18.5053 k = 0.0656-0.0379 0.0535 ( 1399 PWs) bands (ev): -7.7004 -7.7004 5.9486 5.9486 6.4552 6.4552 6.7018 6.7018 7.4244 7.4244 7.5983 7.5983 7.6587 7.6587 7.7780 7.7780 7.8932 7.8932 10.7058 10.7058 18.0640 18.0640 18.4507 18.4507 18.4964 18.4964 k = 0.0738-0.0426 0.0602 ( 1399 PWs) bands (ev): -7.6883 -7.6883 5.8555 5.8555 6.3997 6.3997 6.6634 6.6634 7.4250 7.4250 7.6255 7.6255 7.6580 7.6580 7.8044 7.8044 7.9292 7.9292 10.8250 10.8250 17.9683 17.9683 18.4370 18.4370 18.4881 18.4881 k = 0.0820-0.0473 0.0669 ( 1407 PWs) bands (ev): -7.6748 -7.6748 5.7557 5.7557 6.3474 6.3474 6.6234 6.6234 7.4247 7.4247 7.6525 7.6525 7.6572 7.6572 7.8315 7.8315 7.9631 7.9631 10.9532 10.9532 17.8699 17.8699 18.4223 18.4223 18.4806 18.4806 k = 0.0902-0.0521 0.0736 ( 1407 PWs) bands (ev): -7.6600 -7.6600 5.6508 5.6508 6.2976 6.2976 6.5823 6.5823 7.4238 7.4238 7.6566 7.6566 7.6794 7.6794 7.8591 7.8591 7.9949 7.9949 11.0892 11.0892 17.7702 17.7702 18.4002 18.4002 18.4751 18.4751 k = 0.0984-0.0568 0.0803 ( 1407 PWs) bands (ev): -7.6439 -7.6439 5.5427 5.5427 6.2495 6.2495 6.5404 6.5404 7.4222 7.4222 7.6561 7.6561 7.7059 7.7059 7.8866 7.8866 8.0246 8.0246 11.2316 11.2316 17.6698 17.6698 18.2724 18.2724 18.4341 18.4341 k = 0.1066-0.0615 0.0870 ( 1399 PWs) bands (ev): -7.6266 -7.6266 5.4325 5.4325 6.2026 6.2026 6.4979 6.4979 7.4200 7.4200 7.6558 7.6558 7.7319 7.7319 7.9138 7.9138 8.0525 8.0525 11.3793 11.3793 17.5694 17.5694 18.0291 18.0291 18.4144 18.4144 k = 0.1148-0.0663 0.0937 ( 1403 PWs) bands (ev): -7.6080 -7.6080 5.3213 5.3213 6.1567 6.1567 6.4550 6.4550 7.4170 7.4170 7.6556 7.6556 7.7572 7.7572 7.9405 7.9405 8.0786 8.0786 11.5309 11.5309 17.4692 17.4692 17.7799 17.7799 18.4079 18.4079 k = 0.1230-0.0710 0.1004 ( 1399 PWs) bands (ev): -7.5883 -7.5883 5.2099 5.2099 6.1115 6.1115 6.4119 6.4119 7.4133 7.4133 7.6556 7.6556 7.7818 7.7818 7.9664 7.9664 8.1032 8.1032 11.6851 11.6851 17.3701 17.3701 17.5346 17.5346 18.4064 18.4064 k = 0.1311-0.0757 0.1071 ( 1399 PWs) bands (ev): -7.5674 -7.5674 5.0988 5.0988 6.0669 6.0669 6.3688 6.3688 7.4091 7.4091 7.6559 7.6559 7.8056 7.8056 7.9914 7.9914 8.1265 8.1265 11.8403 11.8403 17.2722 17.2722 17.2955 17.2955 18.4088 18.4088 k = 0.1393-0.0805 0.1138 ( 1399 PWs) bands (ev): -7.5455 -7.5455 4.9887 4.9887 6.0229 6.0229 6.3258 6.3258 7.4042 7.4042 7.6564 7.6564 7.8283 7.8283 8.0153 8.0153 8.1486 8.1486 11.9950 11.9950 17.0641 17.0641 17.1757 17.1757 18.4150 18.4150 k = 0.1475-0.0852 0.1205 ( 1399 PWs) bands (ev): -7.5225 -7.5225 4.8798 4.8798 5.9793 5.9793 6.2830 6.2830 7.3987 7.3987 7.6571 7.6571 7.8499 7.8499 8.0380 8.0380 8.1696 8.1696 12.1472 12.1472 16.8424 16.8424 17.0808 17.0808 18.4251 18.4251 k = 0.1557-0.0899 0.1272 ( 1391 PWs) bands (ev): -7.4985 -7.4985 4.7725 4.7725 5.9364 5.9364 6.2405 6.2405 7.3927 7.3927 7.6582 7.6582 7.8705 7.8705 8.0596 8.0596 8.1897 8.1897 12.2947 12.2947 16.6322 16.6322 16.9878 16.9878 18.4393 18.4393 k = 0.1639-0.0946 0.1339 ( 1383 PWs) bands (ev): -7.4735 -7.4735 4.6672 4.6672 5.8940 5.8940 6.1984 6.1984 7.3860 7.3860 7.6595 7.6595 7.8898 7.8898 8.0797 8.0797 8.2091 8.2091 12.4346 12.4346 16.4362 16.4362 16.8967 16.8967 18.4578 18.4578 k = 0.1721-0.0994 0.1405 ( 1383 PWs) bands (ev): -7.4477 -7.4477 4.5640 4.5640 5.8521 5.8521 6.1568 6.1568 7.3789 7.3789 7.6611 7.6611 7.9079 7.9079 8.0984 8.0984 8.2276 8.2276 12.5637 12.5637 16.2574 16.2574 16.8077 16.8077 18.4803 18.4803 k = 0.1803-0.1041 0.1472 ( 1383 PWs) bands (ev): -7.4211 -7.4211 4.4631 4.4631 5.8109 5.8109 6.1157 6.1157 7.3712 7.3712 7.6629 7.6629 7.9246 7.9246 8.1156 8.1156 8.2454 8.2454 12.6779 12.6779 16.0998 16.0998 16.7207 16.7207 18.5071 18.5071 k = 0.1885-0.1088 0.1539 ( 1383 PWs) bands (ev): -7.3937 -7.3937 4.3646 4.3646 5.7704 5.7704 6.0753 6.0753 7.3631 7.3631 7.6651 7.6651 7.9401 7.9401 8.1314 8.1314 8.2625 8.2625 12.7724 12.7724 15.9679 15.9679 16.6361 16.6361 18.5383 18.5383 k = 0.1967-0.1136 0.1606 ( 1383 PWs) bands (ev): -7.3656 -7.3656 4.2689 4.2689 5.7305 5.7305 6.0355 6.0355 7.3545 7.3545 7.6674 7.6674 7.9542 7.9542 8.1457 8.1457 8.2789 8.2789 12.8423 12.8423 15.8666 15.8666 16.5536 16.5536 18.5740 18.5740 k = 0.2049-0.1183 0.1673 ( 1375 PWs) bands (ev): -7.3369 -7.3369 4.1759 4.1759 5.6914 5.6914 5.9965 5.9965 7.3457 7.3457 7.6700 7.6700 7.9672 7.9672 8.1587 8.1587 8.2947 8.2947 12.8828 12.8828 15.8003 15.8003 16.4735 16.4735 18.6142 18.6142 k = 0.2131-0.1230 0.1740 ( 1375 PWs) bands (ev): -7.3076 -7.3076 4.0857 4.0857 5.6531 5.6531 5.9582 5.9582 7.3364 7.3364 7.6728 7.6728 7.9787 7.9787 8.1701 8.1701 8.3099 8.3099 12.8909 12.8909 15.7721 15.7721 16.3957 16.3957 18.6587 18.6587 k = 0.2213-0.1278 0.1807 ( 1375 PWs) bands (ev): -7.2778 -7.2778 3.9986 3.9986 5.6156 5.6156 5.9207 5.9207 7.3268 7.3268 7.6758 7.6758 7.9890 7.9890 8.1800 8.1800 8.3244 8.3244 12.8658 12.8658 15.7827 15.7827 16.3203 16.3203 18.7076 18.7076 k = 0.2295-0.1325 0.1874 ( 1379 PWs) bands (ev): -7.2477 -7.2477 3.9144 3.9144 5.5789 5.5789 5.8841 5.8841 7.3169 7.3169 7.6789 7.6789 7.9980 7.9980 8.1886 8.1886 8.3383 8.3383 12.8094 12.8094 15.8299 15.8299 16.2472 16.2472 18.7608 18.7608 k = 0.2377-0.1372 0.1941 ( 1387 PWs) bands (ev): -7.2172 -7.2172 3.8334 3.8334 5.5431 5.5431 5.8484 5.8484 7.3068 7.3068 7.6821 7.6821 8.0058 8.0058 8.1958 8.1958 8.3512 8.3512 12.7258 12.7258 15.9094 15.9094 16.1766 16.1766 18.8184 18.8184 k = 0.2459-0.1420 0.2008 ( 1387 PWs) bands (ev): -7.1864 -7.1864 3.7556 3.7556 5.5082 5.5082 5.8135 5.8135 7.2965 7.2965 7.6855 7.6855 8.0125 8.0125 8.2017 8.2017 8.3637 8.3637 12.6201 12.6201 16.0164 16.0164 16.1083 16.1083 18.8802 18.8802 k = 0.2541-0.1467 0.2075 ( 1387 PWs) bands (ev): -7.1555 -7.1555 3.6809 3.6809 5.4742 5.4742 5.7797 5.7797 7.2861 7.2861 7.6890 7.6890 8.0180 8.0180 8.2064 8.2064 8.3754 8.3754 12.4975 12.4975 16.0424 16.0424 16.1453 16.1453 18.9462 18.9462 k = 0.2623-0.1514 0.2142 ( 1387 PWs) bands (ev): -7.1244 -7.1244 3.6095 3.6095 5.4413 5.4413 5.7468 5.7468 7.2755 7.2755 7.6926 7.6926 8.0224 8.0224 8.2099 8.2099 8.3864 8.3864 12.3627 12.3627 15.9789 15.9789 16.2915 16.2915 19.0163 19.0163 k = 0.2705-0.1562 0.2209 ( 1387 PWs) bands (ev): -7.0934 -7.0934 3.5414 3.5414 5.4092 5.4092 5.7149 5.7149 7.2649 7.2649 7.6963 7.6963 8.0257 8.0257 8.2124 8.2124 8.3966 8.3966 12.2195 12.2195 15.9177 15.9177 16.4508 16.4508 19.0903 19.0903 k = 0.2787-0.1609 0.2275 ( 1387 PWs) bands (ev): -7.0624 -7.0624 3.4766 3.4766 5.3782 5.3782 5.6840 5.6840 7.2543 7.2543 7.7000 7.7000 8.0281 8.0281 8.2138 8.2138 8.4058 8.4058 12.0710 12.0710 15.8589 15.8589 16.6202 16.6202 19.1680 19.1680 k = 0.2869-0.1656 0.2342 ( 1371 PWs) bands (ev): -7.0316 -7.0316 3.4150 3.4150 5.3483 5.3483 5.6541 5.6541 7.2439 7.2439 7.7039 7.7039 8.0296 8.0296 8.2143 8.2143 8.4142 8.4142 11.9197 11.9197 15.8026 15.8026 16.7969 16.7969 19.2496 19.2496 k = 0.2951-0.1704 0.2409 ( 1383 PWs) bands (ev): -7.0011 -7.0011 3.3567 3.3567 5.3194 5.3194 5.6253 5.6253 7.2333 7.2333 7.7075 7.7075 8.0299 8.0299 8.2138 8.2138 8.4214 8.4214 11.7676 11.7676 15.7485 15.7485 16.9790 16.9790 19.3341 19.3341 k = 0.3033-0.1751 0.2476 ( 1383 PWs) bands (ev): -6.9709 -6.9709 3.3017 3.3017 5.2915 5.2915 5.5976 5.5976 7.2228 7.2228 7.7112 7.7112 8.0296 8.0296 8.2125 8.2125 8.4277 8.4277 11.6163 11.6163 15.6967 15.6967 17.1647 17.1647 19.4222 19.4222 k = 0.3115-0.1798 0.2543 ( 1383 PWs) bands (ev): -6.9411 -6.9411 3.2499 3.2499 5.2647 5.2647 5.5709 5.5709 7.2125 7.2125 7.7149 7.7149 8.0285 8.0285 8.2106 8.2106 8.4328 8.4328 11.4670 11.4670 15.6473 15.6473 17.3526 17.3526 19.5134 19.5134 k = 0.3197-0.1846 0.2610 ( 1379 PWs) bands (ev): -6.9118 -6.9118 3.2013 3.2013 5.2390 5.2390 5.5453 5.5453 7.2023 7.2023 7.7185 7.7185 8.0267 8.0267 8.2080 8.2080 8.4367 8.4367 11.3208 11.3208 15.6001 15.6001 17.5415 17.5415 19.6074 19.6074 k = 0.3279-0.1893 0.2677 ( 1379 PWs) bands (ev): -6.8831 -6.8831 3.1558 3.1558 5.2144 5.2144 5.5208 5.5208 7.1923 7.1923 7.7220 7.7220 8.0242 8.0242 8.2049 8.2049 8.4393 8.4393 11.1785 11.1785 15.5552 15.5552 17.7305 17.7305 19.7039 19.7039 k = 0.3361-0.1940 0.2744 ( 1379 PWs) bands (ev): -6.8550 -6.8550 3.1135 3.1135 5.1909 5.1909 5.4975 5.4975 7.1825 7.1825 7.7255 7.7255 8.0212 8.0212 8.2013 8.2013 8.4404 8.4404 11.0408 11.0408 15.5125 15.5125 17.9184 17.9184 19.8028 19.8028 k = 0.3443-0.1988 0.2811 ( 1379 PWs) bands (ev): -6.8278 -6.8278 3.0742 3.0742 5.1685 5.1685 5.4752 5.4752 7.1730 7.1730 7.7289 7.7289 8.0176 8.0176 8.1974 8.1974 8.4401 8.4401 10.9085 10.9085 15.4721 15.4721 18.1046 18.1046 19.9036 19.9036 k = 0.3525-0.2035 0.2878 ( 1379 PWs) bands (ev): -6.8014 -6.8014 3.0379 3.0379 5.1472 5.1472 5.4540 5.4540 7.1637 7.1637 7.7322 7.7322 8.0135 8.0135 8.1931 8.1931 8.4382 8.4382 10.7821 10.7821 15.4339 15.4339 18.2881 18.2881 20.0061 20.0061 k = 0.3607-0.2082 0.2945 ( 1379 PWs) bands (ev): -6.7759 -6.7759 3.0044 3.0044 5.1271 5.1271 5.4340 5.4340 7.1548 7.1548 7.7353 7.7353 8.0091 8.0091 8.1886 8.1886 8.4348 8.4348 10.6621 10.6621 15.3979 15.3979 18.4682 18.4682 20.1098 20.1098 k = 0.3689-0.2130 0.3012 ( 1387 PWs) bands (ev): -6.7514 -6.7514 2.9738 2.9738 5.1081 5.1081 5.4152 5.4152 7.1463 7.1463 7.7383 7.7383 8.0042 8.0042 8.1838 8.1838 8.4297 8.4297 10.5489 10.5489 15.3640 15.3640 18.6441 18.6441 20.2143 20.2143 k = 0.3770-0.2177 0.3079 ( 1379 PWs) bands (ev): -6.7280 -6.7280 2.9459 2.9459 5.0903 5.0903 5.3974 5.3974 7.1381 7.1381 7.7412 7.7412 7.9992 7.9992 8.1791 8.1791 8.4231 8.4231 10.4430 10.4430 15.3324 15.3324 18.8150 18.8150 20.3194 20.3194 k = 0.3852-0.2224 0.3146 ( 1387 PWs) bands (ev): -6.7057 -6.7057 2.9205 2.9205 5.0736 5.0736 5.3808 5.3808 7.1303 7.1303 7.7438 7.7438 7.9938 7.9938 8.1743 8.1743 8.4148 8.4148 10.3444 10.3444 15.3028 15.3028 18.9802 18.9802 20.4241 20.4241 k = 0.3934-0.2272 0.3212 ( 1391 PWs) bands (ev): -6.6846 -6.6846 2.8976 2.8976 5.0580 5.0580 5.3653 5.3653 7.1229 7.1229 7.7463 7.7463 7.9883 7.9883 8.1695 8.1695 8.4050 8.4050 10.2535 10.2535 15.2754 15.2754 19.1390 19.1390 20.5281 20.5281 k = 0.4016-0.2319 0.3279 ( 1391 PWs) bands (ev): -6.6649 -6.6649 2.8771 2.8771 5.0436 5.0436 5.3510 5.3510 7.1160 7.1160 7.7487 7.7487 7.9827 7.9827 8.1649 8.1649 8.3940 8.3940 10.1704 10.1704 15.2500 15.2500 19.2904 19.2904 20.6307 20.6307 k = 0.4098-0.2366 0.3346 ( 1387 PWs) bands (ev): -6.6464 -6.6464 2.8588 2.8588 5.0304 5.0304 5.3378 5.3378 7.1096 7.1096 7.7510 7.7510 7.9771 7.9771 8.1605 8.1605 8.3820 8.3820 10.0952 10.0952 15.2268 15.2268 19.4339 19.4339 20.7311 20.7311 k = 0.4180-0.2414 0.3413 ( 1387 PWs) bands (ev): -6.6294 -6.6294 2.8426 2.8426 5.0183 5.0183 5.3258 5.3258 7.1037 7.1037 7.7530 7.7530 7.9714 7.9714 8.1562 8.1562 8.3691 8.3691 10.0277 10.0277 15.2056 15.2056 19.5684 19.5684 20.8285 20.8285 k = 0.4262-0.2461 0.3480 ( 1387 PWs) bands (ev): -6.6138 -6.6138 2.8284 2.8284 5.0073 5.0073 5.3149 5.3149 7.0983 7.0983 7.7549 7.7549 7.9659 7.9659 8.1523 8.1523 8.3558 8.3558 9.9678 9.9678 15.1865 15.1865 19.6934 19.6934 20.9218 20.9218 k = 0.4344-0.2508 0.3547 ( 1383 PWs) bands (ev): -6.5997 -6.5997 2.8161 2.8161 4.9976 4.9976 5.3051 5.3051 7.0934 7.0934 7.7567 7.7567 7.9605 7.9605 8.1486 8.1486 8.3424 8.3424 9.9153 9.9153 15.1697 15.1697 19.8078 19.8078 21.0102 21.0102 k = 0.4426-0.2555 0.3614 ( 1383 PWs) bands (ev): -6.5872 -6.5872 2.8056 2.8056 4.9889 4.9889 5.2965 5.2965 7.0891 7.0891 7.7581 7.7581 7.9553 7.9553 8.1453 8.1453 8.3294 8.3294 9.8700 9.8700 15.1547 15.1547 19.9111 19.9111 21.0924 21.0924 k = 0.4508-0.2603 0.3681 ( 1383 PWs) bands (ev): -6.5763 -6.5763 2.7967 2.7967 4.9815 4.9815 5.2891 5.2891 7.0853 7.0853 7.7594 7.7594 7.9505 7.9505 8.1424 8.1424 8.3172 8.3172 9.8316 9.8316 15.1417 15.1417 20.0024 20.0024 21.1672 21.1672 k = 0.4590-0.2650 0.3748 ( 1383 PWs) bands (ev): -6.5670 -6.5670 2.7894 2.7894 4.9751 4.9751 5.2828 5.2828 7.0820 7.0820 7.7605 7.7605 7.9462 7.9462 8.1398 8.1398 8.3061 8.3061 9.7998 9.7998 15.1307 15.1307 20.0811 20.0811 21.2333 21.2334 k = 0.4672-0.2697 0.3815 ( 1375 PWs) bands (ev): -6.5593 -6.5593 2.7835 2.7835 4.9700 4.9700 5.2776 5.2776 7.0794 7.0794 7.7615 7.7615 7.9425 7.9425 8.1378 8.1378 8.2966 8.2966 9.7742 9.7742 15.1218 15.1218 20.1464 20.1464 21.2897 21.2897 k = 0.4754-0.2745 0.3882 ( 1375 PWs) bands (ev): -6.5534 -6.5534 2.7790 2.7790 4.9659 4.9659 5.2736 5.2736 7.0773 7.0773 7.7622 7.7622 7.9394 7.9394 8.1362 8.1362 8.2889 8.2889 9.7547 9.7547 15.1148 15.1148 20.1978 20.1978 21.3349 21.3349 k = 0.4836-0.2792 0.3949 ( 1375 PWs) bands (ev): -6.5491 -6.5491 2.7759 2.7759 4.9631 4.9631 5.2707 5.2707 7.0758 7.0758 7.7627 7.7627 7.9371 7.9371 8.1350 8.1350 8.2832 8.2832 9.7409 9.7409 15.1098 15.1098 20.2349 20.2349 21.3680 21.3681 k = 0.4918-0.2839 0.4016 ( 1375 PWs) bands (ev): -6.5465 -6.5465 2.7740 2.7740 4.9613 4.9613 5.2690 5.2690 7.0749 7.0749 7.7630 7.7630 7.9357 7.9357 8.1343 8.1343 8.2797 8.2797 9.7327 9.7327 15.1068 15.1068 20.2573 20.2573 21.3883 21.3883 k = 0.5000-0.2887 0.4082 ( 1362 PWs) bands (ev): -6.5456 -6.5456 2.7734 2.7734 4.9608 4.9608 5.2685 5.2685 7.0747 7.0747 7.7631 7.7631 7.9354 7.9354 8.1342 8.1342 8.2787 8.2787 9.7300 9.7300 15.1058 15.1058 20.2648 20.2648 21.3951 21.3951 k = 0.5000-0.2887 0.4082 ( 1362 PWs) bands (ev): -6.5456 -6.5456 2.7734 2.7734 4.9608 4.9608 5.2685 5.2685 7.0747 7.0747 7.7631 7.7631 7.9354 7.9354 8.1342 8.1342 8.2787 8.2787 9.7300 9.7300 15.1058 15.1058 20.2648 20.2648 21.3951 21.3951 k = 0.5000-0.2794 0.4148 ( 1370 PWs) bands (ev): -6.5455 -6.5455 2.7743 2.7743 4.9575 4.9575 5.2646 5.2646 7.0772 7.0772 7.7648 7.7648 7.9353 7.9353 8.1341 8.1341 8.2786 8.2786 9.7357 9.7357 15.1080 15.1080 20.2594 20.2594 21.3860 21.3860 k = 0.5000-0.2701 0.4214 ( 1374 PWs) bands (ev): -6.5452 -6.5452 2.7770 2.7770 4.9477 4.9477 5.2531 5.2531 7.0849 7.0849 7.7699 7.7699 7.9353 7.9353 8.1343 8.1343 8.2784 8.2784 9.7529 9.7529 15.1143 15.1143 20.2435 20.2435 21.3543 21.3543 k = 0.5000-0.2607 0.4280 ( 1374 PWs) bands (ev): -6.5446 -6.5446 2.7815 2.7815 4.9316 4.9316 5.2343 5.2343 7.0975 7.0975 7.7780 7.7780 7.9354 7.9354 8.1345 8.1345 8.2783 8.2783 9.7816 9.7816 15.1250 15.1250 20.2170 20.2170 21.2901 21.2901 k = 0.5000-0.2514 0.4346 ( 1380 PWs) bands (ev): -6.5438 -6.5438 2.7879 2.7879 4.9096 4.9096 5.2087 5.2087 7.1146 7.1146 7.7887 7.7887 7.9355 7.9355 8.1349 8.1349 8.2780 8.2780 9.8215 9.8215 15.1398 15.1398 20.1802 20.1802 21.1878 21.1878 k = 0.5000-0.2421 0.4412 ( 1384 PWs) bands (ev): -6.5428 -6.5428 2.7960 2.7960 4.8821 4.8821 5.1769 5.1769 7.1358 7.1358 7.8016 7.8016 7.9355 7.9355 8.1353 8.1353 8.2776 8.2776 9.8727 9.8727 15.1590 15.1590 20.1333 20.1333 21.0509 21.0509 k = 0.5000-0.2328 0.4478 ( 1384 PWs) bands (ev): -6.5416 -6.5416 2.8059 2.8059 4.8496 4.8496 5.1397 5.1397 7.1606 7.1606 7.8161 7.8161 7.9357 7.9357 8.1359 8.1359 8.2771 8.2771 9.9349 9.9349 15.1825 15.1825 20.0765 20.0765 20.8873 20.8873 k = 0.5000-0.2235 0.4543 ( 1388 PWs) bands (ev): -6.5403 -6.5403 2.8176 2.8176 4.8126 4.8126 5.0977 5.0977 7.1884 7.1884 7.8316 7.8316 7.9360 7.9360 8.1366 8.1366 8.2765 8.2765 10.0078 10.0078 15.2102 15.2102 20.0103 20.0103 20.7036 20.7036 k = 0.5000-0.2142 0.4609 ( 1388 PWs) bands (ev): -6.5387 -6.5387 2.8312 2.8312 4.7719 4.7719 5.0518 5.0518 7.2188 7.2188 7.8477 7.8477 7.9363 7.9363 8.1373 8.1373 8.2757 8.2757 10.0911 10.0911 15.2423 15.2423 19.9349 19.9349 20.5052 20.5052 k = 0.5000-0.2049 0.4675 ( 1388 PWs) bands (ev): -6.5370 -6.5370 2.8464 2.8464 4.7279 4.7279 5.0025 5.0025 7.2512 7.2512 7.8636 7.8636 7.9369 7.9369 8.1381 8.1381 8.2747 8.2747 10.1844 10.1844 15.2788 15.2788 19.8502 19.8502 20.2964 20.2964 k = 0.5000-0.1956 0.4741 ( 1384 PWs) bands (ev): -6.5351 -6.5351 2.8635 2.8635 4.6814 4.6814 4.9507 4.9507 7.2851 7.2851 7.8792 7.8792 7.9379 7.9379 8.1390 8.1390 8.2734 8.2734 10.2871 10.2871 15.3197 15.3197 19.7557 19.7557 20.0813 20.0813 k = 0.5000-0.1862 0.4807 ( 1384 PWs) bands (ev): -6.5331 -6.5331 2.8822 2.8822 4.6329 4.6329 4.8967 4.8967 7.3200 7.3200 7.8934 7.8934 7.9395 7.9395 8.1398 8.1398 8.2719 8.2719 10.3987 10.3987 15.3650 15.3650 19.6482 19.6482 19.8658 19.8658 k = 0.5000-0.1769 0.4873 ( 1384 PWs) bands (ev): -6.5310 -6.5310 2.9027 2.9027 4.5829 4.5829 4.8413 4.8413 7.3556 7.3556 7.9055 7.9055 7.9427 7.9427 8.1406 8.1406 8.2702 8.2702 10.5186 10.5186 15.4146 15.4146 19.5143 19.5143 19.6657 19.6657 k = 0.5000-0.1676 0.4938 ( 1390 PWs) bands (ev): -6.5288 -6.5288 2.9249 2.9249 4.5320 4.5320 4.7849 4.7849 7.3912 7.3912 7.9143 7.9143 7.9483 7.9483 8.1415 8.1415 8.2681 8.2681 10.6461 10.6461 15.4686 15.4686 19.3303 19.3303 19.5068 19.5068 k = 0.5000-0.1583 0.5004 ( 1390 PWs) bands (ev): -6.5266 -6.5266 2.9488 2.9488 4.4806 4.4806 4.7279 4.7279 7.4269 7.4269 7.9193 7.9193 7.9570 7.9570 8.1424 8.1424 8.2658 8.2658 10.7804 10.7804 15.5270 15.5270 19.1116 19.1116 19.3757 19.3757 k = 0.5000-0.1490 0.5070 ( 1390 PWs) bands (ev): -6.5243 -6.5243 2.9743 2.9743 4.4291 4.4291 4.6708 4.6708 7.4621 7.4621 7.9216 7.9216 7.9674 7.9674 8.1433 8.1433 8.2631 8.2631 10.9210 10.9210 15.5897 15.5897 18.8816 18.8816 19.2506 19.2506 k = 0.5000-0.1397 0.5136 ( 1390 PWs) bands (ev): -6.5220 -6.5220 3.0015 3.0015 4.3778 4.3778 4.6141 4.6141 7.4966 7.4966 7.9223 7.9223 7.9786 7.9786 8.1442 8.1442 8.2602 8.2602 11.0669 11.0669 15.6569 15.6569 18.6484 18.6484 19.1250 19.1250 k = 0.5000-0.1304 0.5202 ( 1394 PWs) bands (ev): -6.5198 -6.5198 3.0302 3.0302 4.3269 4.3269 4.5581 4.5581 7.5302 7.5302 7.9220 7.9220 7.9898 7.9898 8.1450 8.1450 8.2570 8.2570 11.2175 11.2175 15.7283 15.7283 18.4150 18.4150 18.9975 18.9975 k = 0.5000-0.1211 0.5268 ( 1398 PWs) bands (ev): -6.5175 -6.5175 3.0605 3.0605 4.2766 4.2766 4.5034 4.5034 7.5627 7.5627 7.9210 7.9210 8.0007 8.0007 8.1459 8.1459 8.2534 8.2534 11.3718 11.3718 15.8040 15.8040 18.1829 18.1829 18.8680 18.8680 k = 0.5000-0.1117 0.5334 ( 1398 PWs) bands (ev): -6.5153 -6.5153 3.0922 3.0922 4.2269 4.2269 4.4504 4.4504 7.5939 7.5939 7.9196 7.9196 8.0112 8.0112 8.1468 8.1468 8.2496 8.2496 11.5288 11.5288 15.8839 15.8839 17.9536 17.9536 18.7367 18.7367 k = 0.5000-0.1024 0.5399 ( 1396 PWs) bands (ev): -6.5132 -6.5132 3.1254 3.1254 4.1778 4.1778 4.3996 4.3996 7.6237 7.6237 7.9177 7.9177 8.0213 8.0213 8.1478 8.1478 8.2455 8.2455 11.6876 11.6876 15.9680 15.9680 17.7283 17.7283 18.6040 18.6040 k = 0.5000-0.0931 0.5465 ( 1396 PWs) bands (ev): -6.5112 -6.5112 3.1599 3.1599 4.1292 4.1292 4.3516 4.3516 7.6519 7.6519 7.9153 7.9153 8.0309 8.0309 8.1489 8.1489 8.2412 8.2412 11.8469 11.8469 16.0561 16.0561 17.5084 17.5084 18.4702 18.4702 k = 0.5000-0.0838 0.5531 ( 1400 PWs) bands (ev): -6.5093 -6.5093 3.1957 3.1957 4.0810 4.0810 4.3070 4.3070 7.6784 7.6784 7.9124 7.9124 8.0398 8.0398 8.1500 8.1500 8.2365 8.2365 12.0051 12.0051 16.1481 16.1481 17.2953 17.2953 18.3356 18.3356 k = 0.5000-0.0745 0.5597 ( 1400 PWs) bands (ev): -6.5075 -6.5075 3.2325 3.2325 4.0332 4.0332 4.2662 4.2662 7.7032 7.7032 7.9090 7.9090 8.0482 8.0482 8.1514 8.1514 8.2317 8.2317 12.1607 12.1607 16.2438 16.2438 17.0911 17.0911 18.2008 18.2008 k = 0.5000-0.0652 0.5663 ( 1400 PWs) bands (ev): -6.5059 -6.5059 3.2702 3.2702 3.9858 3.9858 4.2297 4.2297 7.7263 7.7263 7.9050 7.9050 8.0559 8.0559 8.1529 8.1529 8.2267 8.2267 12.3115 12.3115 16.3426 16.3426 16.8981 16.8981 18.0661 18.0661 k = 0.5000-0.0559 0.5729 ( 1396 PWs) bands (ev): -6.5045 -6.5045 3.3085 3.3085 3.9389 3.9389 4.1977 4.1977 7.7476 7.7476 7.9005 7.9005 8.0630 8.0630 8.1547 8.1547 8.2217 8.2217 12.4548 12.4548 16.4426 16.4426 16.7209 16.7209 17.9320 17.9320 k = 0.5000-0.0466 0.5794 ( 1400 PWs) bands (ev): -6.5033 -6.5033 3.3469 3.3469 3.8930 3.8930 4.1706 4.1706 7.7669 7.7669 7.8954 7.8954 8.0691 8.0691 8.1567 8.1567 8.2166 8.2166 12.5874 12.5874 16.5087 16.5087 16.5974 16.5974 17.7987 17.7987 k = 0.5000-0.0372 0.5860 ( 1402 PWs) bands (ev): -6.5023 -6.5023 3.3847 3.3847 3.8489 3.8489 4.1484 4.1484 7.7843 7.7843 7.8897 7.8897 8.0742 8.0742 8.1589 8.1589 8.2117 8.2117 12.7055 12.7055 16.3977 16.3977 16.6744 16.6744 17.6669 17.6669 k = 0.5000-0.0279 0.5926 ( 1398 PWs) bands (ev): -6.5015 -6.5015 3.4206 3.4206 3.8081 3.8081 4.1312 4.1312 7.7995 7.7995 7.8837 7.8837 8.0784 8.0784 8.1613 8.1613 8.2071 8.2071 12.8048 12.8048 16.2815 16.2815 16.7840 16.7840 17.5371 17.5371 k = 0.5000-0.0186 0.5992 ( 1394 PWs) bands (ev): -6.5009 -6.5009 3.4521 3.4521 3.7729 3.7729 4.1189 4.1189 7.8122 7.8122 7.8777 7.8777 8.0814 8.0814 8.1636 8.1636 8.2033 8.2033 12.8803 12.8803 16.1926 16.1926 16.8975 16.8975 17.4103 17.4103 k = 0.5000-0.0093 0.6058 ( 1384 PWs) bands (ev): -6.5005 -6.5005 3.4750 3.4750 3.7477 3.7477 4.1115 4.1115 7.8212 7.8212 7.8727 7.8727 8.0834 8.0834 8.1653 8.1653 8.2007 8.2007 12.9279 12.9279 16.1369 16.1369 17.0095 17.0095 17.2909 17.2909 k = 0.5000-0.0000 0.6124 ( 1384 PWs) bands (ev): -6.5004 -6.5004 3.4837 3.4837 3.7383 3.7383 4.1090 4.1090 7.8247 7.8247 7.8706 7.8706 8.0840 8.0840 8.1660 8.1660 8.1997 8.1997 12.9441 12.9441 16.1179 16.1179 17.0824 17.0824 17.2154 17.2154 k = 0.5000-0.0000 0.6124 ( 1384 PWs) bands (ev): -6.5004 -6.5004 3.4837 3.4837 3.7383 3.7383 4.1090 4.1090 7.8247 7.8247 7.8706 7.8706 8.0840 8.0840 8.1660 8.1660 8.1997 8.1997 12.9441 12.9441 16.1179 16.1179 17.0824 17.0824 17.2154 17.2154 k = 0.4943 0.0098 0.6124 ( 1384 PWs) bands (ev): -6.5006 -6.5006 3.4780 3.4780 3.7398 3.7398 4.1151 4.1151 7.8228 7.8228 7.8715 7.8715 8.0838 8.0838 8.1669 8.1669 8.2005 8.2005 12.9363 12.9363 16.1215 16.1215 17.0454 17.0454 17.2598 17.2598 k = 0.4886 0.0197 0.6124 ( 1393 PWs) bands (ev): -6.5012 -6.5012 3.4637 3.4637 3.7408 3.7408 4.1342 4.1342 7.8174 7.8174 7.8740 7.8740 8.0834 8.0834 8.1700 8.1700 8.2025 8.2025 12.9128 12.9128 16.1310 16.1310 16.9903 16.9903 17.3384 17.3384 k = 0.4830 0.0295 0.6124 ( 1399 PWs) bands (ev): -6.5022 -6.5022 3.4443 3.4443 3.7378 3.7378 4.1659 4.1659 7.8091 7.8091 7.8773 7.8773 8.0835 8.0835 8.1756 8.1756 8.2051 8.2051 12.8741 12.8741 16.1438 16.1438 16.9475 16.9475 17.4237 17.4237 k = 0.4773 0.0394 0.6124 ( 1399 PWs) bands (ev): -6.5035 -6.5035 3.4223 3.4223 3.7298 3.7298 4.2084 4.2084 7.7986 7.7986 7.8812 7.8812 8.0843 8.0843 8.1834 8.1834 8.2084 8.2084 12.8212 12.8212 16.1560 16.1560 16.9245 16.9245 17.5110 17.5110 k = 0.4716 0.0492 0.6124 ( 1399 PWs) bands (ev): -6.5050 -6.5050 3.3993 3.3993 3.7178 3.7178 4.2588 4.2588 7.7864 7.7864 7.8850 7.8850 8.0858 8.0858 8.1931 8.1931 8.2123 8.2123 12.7555 12.7555 16.1638 16.1638 16.9254 16.9254 17.5990 17.5990 k = 0.4659 0.0590 0.6124 ( 1396 PWs) bands (ev): -6.5068 -6.5068 3.3761 3.3761 3.7031 3.7031 4.3147 4.3147 7.7728 7.7728 7.8887 7.8887 8.0882 8.0882 8.2035 8.2035 8.2178 8.2178 12.6787 12.6787 16.1642 16.1642 16.9520 16.9520 17.6867 17.6867 k = 0.4602 0.0689 0.6124 ( 1394 PWs) bands (ev): -6.5087 -6.5087 3.3534 3.3534 3.6868 3.6868 4.3740 4.3740 7.7582 7.7582 7.8922 7.8922 8.0911 8.0911 8.2115 8.2115 8.2280 8.2280 12.5928 12.5928 16.1565 16.1565 17.0036 17.0036 17.7737 17.7737 k = 0.4545 0.0787 0.6124 ( 1392 PWs) bands (ev): -6.5107 -6.5107 3.3315 3.3315 3.6698 3.6698 4.4350 4.4350 7.7429 7.7429 7.8954 7.8954 8.0944 8.0944 8.2164 8.2164 8.2435 8.2435 12.4999 12.4999 16.1420 16.1420 17.0773 17.0773 17.8593 17.8593 k = 0.4489 0.0886 0.6124 ( 1395 PWs) bands (ev): -6.5127 -6.5127 3.3106 3.3106 3.6527 3.6527 4.4964 4.4964 7.7272 7.7272 7.8983 7.8983 8.0979 8.0979 8.2199 8.2199 8.2622 8.2622 12.4021 12.4021 16.1228 16.1228 17.1693 17.1693 17.9430 17.9430 k = 0.4432 0.0984 0.6124 ( 1388 PWs) bands (ev): -6.5148 -6.5148 3.2909 3.2909 3.6360 3.6360 4.5572 4.5572 7.7113 7.7113 7.9009 7.9009 8.1015 8.1015 8.2231 8.2231 8.2833 8.2833 12.3013 12.3013 16.1011 16.1011 17.2759 17.2759 18.0244 18.0244 k = 0.4375 0.1083 0.6124 ( 1388 PWs) bands (ev): -6.5169 -6.5169 3.2726 3.2726 3.6199 3.6199 4.6166 4.6166 7.6956 7.6956 7.9033 7.9033 8.1050 8.1050 8.2259 8.2259 8.3062 8.3062 12.1996 12.1996 16.0785 16.0785 17.3935 17.3935 18.1027 18.1027 k = 0.4318 0.1181 0.6124 ( 1384 PWs) bands (ev): -6.5189 -6.5189 3.2556 3.2556 3.6048 3.6048 4.6736 4.6736 7.6804 7.6804 7.9054 7.9054 8.1083 8.1083 8.2284 8.2284 8.3304 8.3304 12.0988 12.0988 16.0561 16.0561 17.5193 17.5193 18.1775 18.1775 k = 0.4261 0.1279 0.6124 ( 1386 PWs) bands (ev): -6.5209 -6.5209 3.2401 3.2401 3.5907 3.5907 4.7276 4.7276 7.6657 7.6657 7.9072 7.9072 8.1113 8.1113 8.2307 8.2307 8.3553 8.3553 12.0007 12.0007 16.0348 16.0348 17.6507 17.6507 18.2481 18.2481 k = 0.4205 0.1378 0.6124 ( 1384 PWs) bands (ev): -6.5227 -6.5227 3.2262 3.2262 3.5779 3.5779 4.7780 4.7780 7.6518 7.6518 7.9088 7.9088 8.1141 8.1141 8.2328 8.2328 8.3806 8.3806 11.9070 11.9070 16.0151 16.0151 17.7853 17.7853 18.3140 18.3140 k = 0.4148 0.1476 0.6124 ( 1384 PWs) bands (ev): -6.5244 -6.5244 3.2138 3.2138 3.5663 3.5663 4.8240 4.8240 7.6390 7.6390 7.9101 7.9101 8.1166 8.1166 8.2346 8.2346 8.4056 8.4056 11.8194 11.8194 15.9973 15.9973 17.9203 17.9203 18.3745 18.3745 k = 0.4091 0.1575 0.6124 ( 1384 PWs) bands (ev): -6.5259 -6.5259 3.2030 3.2030 3.5562 3.5562 4.8651 4.8651 7.6275 7.6275 7.9113 7.9113 8.1188 8.1188 8.2363 8.2363 8.4294 8.4294 11.7394 11.7394 15.9816 15.9816 18.0528 18.0528 18.4292 18.4292 k = 0.4034 0.1673 0.6124 ( 1386 PWs) bands (ev): -6.5272 -6.5272 3.1938 3.1938 3.5476 3.5476 4.9009 4.9009 7.6173 7.6173 7.9123 7.9123 8.1206 8.1206 8.2376 8.2376 8.4514 8.4514 11.6687 11.6687 15.9681 15.9681 18.1791 18.1791 18.4778 18.4778 k = 0.3977 0.1771 0.6124 ( 1386 PWs) bands (ev): -6.5283 -6.5283 3.1862 3.1862 3.5404 3.5404 4.9308 4.9308 7.6088 7.6088 7.9130 7.9130 8.1221 8.1221 8.2387 8.2387 8.4708 8.4708 11.6086 11.6086 15.9571 15.9571 18.2940 18.2940 18.5205 18.5205 k = 0.3920 0.1870 0.6124 ( 1392 PWs) bands (ev): -6.5291 -6.5291 3.1804 3.1804 3.5348 3.5348 4.9545 4.9545 7.6020 7.6020 7.9136 7.9136 8.1232 8.1232 8.2396 8.2396 8.4868 8.4868 11.5603 11.5603 15.9484 15.9484 18.3908 18.3908 18.5580 18.5580 k = 0.3864 0.1968 0.6124 ( 1396 PWs) bands (ev): -6.5298 -6.5298 3.1762 3.1762 3.5308 3.5308 4.9716 4.9716 7.5970 7.5970 7.9139 7.9139 8.1240 8.1240 8.2402 8.2402 8.4988 8.4988 11.5250 11.5250 15.9422 15.9422 18.4618 18.4618 18.5913 18.5913 k = 0.3807 0.2067 0.6124 ( 1396 PWs) bands (ev): -6.5302 -6.5302 3.1736 3.1736 3.5284 3.5284 4.9820 4.9820 7.5940 7.5940 7.9142 7.9142 8.1245 8.1245 8.2406 8.2406 8.5062 8.5062 11.5035 11.5035 15.9385 15.9385 18.5022 18.5022 18.6174 18.6174 k = 0.3750 0.2165 0.6124 ( 1392 PWs) bands (ev): -6.5303 -6.5303 3.1728 3.1728 3.5276 3.5276 4.9855 4.9855 7.5930 7.5930 7.9143 7.9143 8.1247 8.1247 8.2407 8.2407 8.5088 8.5088 11.4962 11.4962 15.9373 15.9373 18.5148 18.5148 18.6279 18.6279 k = 0.3750 0.2165 0.6124 ( 1392 PWs) bands (ev): -6.5303 -6.5303 3.1728 3.1728 3.5276 3.5276 4.9855 4.9855 7.5930 7.5930 7.9143 7.9143 8.1247 8.1247 8.2407 8.2407 8.5088 8.5088 11.4962 11.4962 15.9373 15.9373 18.5148 18.5148 18.6279 18.6279 k = 0.3692 0.2132 0.6030 ( 1394 PWs) bands (ev): -6.5326 -6.5326 3.1950 3.1950 3.4666 3.4666 4.9792 4.9792 7.6196 7.6196 7.9110 7.9110 8.1271 8.1271 8.2372 8.2372 8.5653 8.5653 11.6033 11.6033 15.9791 15.9791 18.3757 18.3757 18.5008 18.5008 k = 0.3635 0.2098 0.5935 ( 1398 PWs) bands (ev): -6.5357 -6.5357 3.2025 3.2025 3.4253 3.4253 4.9736 4.9736 7.6458 7.6458 7.9073 7.9073 8.1293 8.1293 8.2337 8.2337 8.6228 8.6228 11.7092 11.7092 16.0141 16.0141 18.2314 18.2314 18.3825 18.3825 k = 0.3577 0.2065 0.5841 ( 1398 PWs) bands (ev): -6.5396 -6.5396 3.1855 3.1855 3.4138 3.4138 4.9689 4.9689 7.6714 7.6714 7.9034 7.9034 8.1312 8.1312 8.2303 8.2303 8.6813 8.6813 11.8139 11.8139 16.0410 16.0410 18.0857 18.0857 18.2696 18.2696 k = 0.3519 0.2032 0.5747 ( 1400 PWs) bands (ev): -6.5443 -6.5443 3.1471 3.1471 3.4292 3.4292 4.9650 4.9650 7.6962 7.6962 7.8991 7.8991 8.1328 8.1328 8.2270 8.2270 8.7405 8.7405 11.9175 11.9175 16.0589 16.0589 17.9411 17.9411 18.1603 18.1603 k = 0.3462 0.1999 0.5653 ( 1400 PWs) bands (ev): -6.5499 -6.5499 3.0991 3.0991 3.4599 3.4599 4.9620 4.9620 7.7203 7.7203 7.8946 7.8946 8.1341 8.1341 8.2238 8.2238 8.8001 8.8001 12.0200 12.0200 16.0674 16.0674 17.7987 17.7987 18.0538 18.0538 k = 0.3404 0.1965 0.5558 ( 1388 PWs) bands (ev): -6.5565 -6.5565 3.0490 3.0490 3.4985 3.4985 4.9600 4.9600 7.7435 7.7435 7.8899 7.8899 8.1353 8.1353 8.2211 8.2211 8.8598 8.8598 12.1215 12.1215 16.0659 16.0659 17.6595 17.6595 17.9500 17.9500 k = 0.3346 0.1932 0.5464 ( 1384 PWs) bands (ev): -6.5642 -6.5642 3.0003 3.0003 3.5416 3.5416 4.9590 4.9590 7.7656 7.7656 7.8848 7.8848 8.1361 8.1361 8.2186 8.2186 8.9195 8.9195 12.2222 12.2222 16.0545 16.0545 17.5237 17.5237 17.8485 17.8485 k = 0.3288 0.1899 0.5370 ( 1384 PWs) bands (ev): -6.5729 -6.5729 2.9547 2.9547 3.5878 3.5878 4.9589 4.9589 7.7866 7.7866 7.8795 7.8795 8.1366 8.1366 8.2164 8.2164 8.9786 8.9786 12.3223 12.3223 16.0332 16.0332 17.3918 17.3918 17.7495 17.7495 k = 0.3231 0.1865 0.5276 ( 1392 PWs) bands (ev): -6.5827 -6.5827 2.9128 2.9128 3.6363 3.6363 4.9599 4.9599 7.8061 7.8061 7.8739 7.8739 8.1366 8.1366 8.2145 8.2145 9.0371 9.0371 12.4219 12.4219 16.0026 16.0026 17.2641 17.2641 17.6529 17.6529 k = 0.3173 0.1832 0.5182 ( 1396 PWs) bands (ev): -6.5936 -6.5936 2.8754 2.8754 3.6867 3.6867 4.9620 4.9620 7.8242 7.8242 7.8681 7.8681 8.1364 8.1364 8.2131 8.2131 9.0947 9.0947 12.5211 12.5211 15.9633 15.9633 17.1411 17.1411 17.5591 17.5591 k = 0.3115 0.1799 0.5087 ( 1396 PWs) bands (ev): -6.6057 -6.6057 2.8425 2.8425 3.7388 3.7388 4.9652 4.9652 7.8404 7.8404 7.8624 7.8624 8.1359 8.1359 8.2121 8.2121 9.1510 9.1510 12.6203 12.6203 15.9161 15.9161 17.0232 17.0232 17.4682 17.4682 k = 0.3058 0.1765 0.4993 ( 1392 PWs) bands (ev): -6.6190 -6.6190 2.8146 2.8146 3.7923 3.7923 4.9696 4.9696 7.8506 7.8506 7.8609 7.8609 8.1352 8.1352 8.2115 8.2115 9.2059 9.2059 12.7195 12.7195 15.8617 15.8617 16.9107 16.9107 17.3802 17.3802 k = 0.3000 0.1732 0.4899 ( 1392 PWs) bands (ev): -6.6335 -6.6335 2.7917 2.7917 3.8472 3.8472 4.9752 4.9752 7.8469 7.8469 7.8713 7.8713 8.1343 8.1343 8.2112 8.2112 9.2588 9.2588 12.8189 12.8189 15.8010 15.8010 16.8038 16.8038 17.2953 17.2953 k = 0.2942 0.1699 0.4805 ( 1388 PWs) bands (ev): -6.6492 -6.6492 2.7740 2.7740 3.9033 3.9033 4.9820 4.9820 7.8404 7.8404 7.8825 7.8825 8.1334 8.1334 8.2113 8.2113 9.3096 9.3096 12.9188 12.9188 15.7347 15.7347 16.7029 16.7029 17.2137 17.2137 k = 0.2885 0.1665 0.4711 ( 1388 PWs) bands (ev): -6.6660 -6.6660 2.7615 2.7615 3.9605 3.9605 4.9901 4.9901 7.8334 7.8334 7.8920 7.8920 8.1323 8.1323 8.2114 8.2114 9.3579 9.3579 13.0191 13.0191 15.6636 15.6636 16.6084 16.6084 17.1355 17.1355 k = 0.2827 0.1632 0.4616 ( 1388 PWs) bands (ev): -6.6841 -6.6841 2.7543 2.7543 4.0188 4.0188 4.9994 4.9994 7.8261 7.8261 7.8997 7.8997 8.1313 8.1313 8.2116 8.2116 9.4033 9.4033 13.1200 13.1200 15.5886 15.5886 16.5207 16.5207 17.0608 17.0608 k = 0.2769 0.1599 0.4522 ( 1384 PWs) bands (ev): -6.7034 -6.7034 2.7525 2.7525 4.0780 4.0780 5.0100 5.0100 7.8185 7.8185 7.9055 7.9055 8.1304 8.1304 8.2119 8.2119 9.4455 9.4455 13.2214 13.2214 15.5104 15.5104 16.4400 16.4400 16.9898 16.9898 k = 0.2712 0.1566 0.4428 ( 1384 PWs) bands (ev): -6.7238 -6.7238 2.7560 2.7560 4.1382 4.1382 5.0220 5.0220 7.8107 7.8107 7.9094 7.9094 8.1294 8.1294 8.2120 8.2120 9.4842 9.4842 13.3233 13.3233 15.4297 15.4297 16.3668 16.3668 16.9225 16.9225 k = 0.2654 0.1532 0.4334 ( 1382 PWs) bands (ev): -6.7453 -6.7453 2.7649 2.7649 4.1991 4.1991 5.0353 5.0353 7.8027 7.8027 7.9115 7.9115 8.1285 8.1285 8.2119 8.2119 9.5190 9.5190 13.4255 13.4255 15.3472 15.3472 16.3016 16.3016 16.8594 16.8594 k = 0.2596 0.1499 0.4240 ( 1382 PWs) bands (ev): -6.7679 -6.7679 2.7791 2.7791 4.2608 4.2608 5.0499 5.0499 7.7945 7.7945 7.9120 7.9120 8.1274 8.1274 8.2115 8.2115 9.5496 9.5496 13.5276 13.5276 15.2638 15.2638 16.2445 16.2445 16.8001 16.8001 k = 0.2538 0.1466 0.4145 ( 1388 PWs) bands (ev): -6.7915 -6.7915 2.7987 2.7987 4.3232 4.3232 5.0660 5.0660 7.7861 7.7861 7.9108 7.9108 8.1261 8.1261 8.2106 8.2106 9.5755 9.5755 13.6289 13.6289 15.1805 15.1805 16.1958 16.1958 16.7449 16.7449 k = 0.2481 0.1432 0.4051 ( 1388 PWs) bands (ev): -6.8161 -6.8161 2.8236 2.8236 4.3861 4.3861 5.0835 5.0835 7.7777 7.7777 7.9084 7.9084 8.1245 8.1245 8.2094 8.2094 9.5968 9.5968 13.7285 13.7285 15.0989 15.0989 16.1560 16.1560 16.6941 16.6941 k = 0.2423 0.1399 0.3957 ( 1386 PWs) bands (ev): -6.8416 -6.8416 2.8537 2.8537 4.4495 4.4495 5.1025 5.1025 7.7691 7.7691 7.9047 7.9047 8.1225 8.1225 8.2077 8.2077 9.6131 9.6131 13.8243 13.8243 15.0210 15.0210 16.1253 16.1253 16.6477 16.6477 k = 0.2365 0.1366 0.3863 ( 1392 PWs) bands (ev): -6.8680 -6.8680 2.8890 2.8890 4.5133 4.5133 5.1229 5.1229 7.7603 7.7603 7.8997 7.8997 8.1200 8.1200 8.2054 8.2054 9.6241 9.6241 13.9131 13.9131 14.9502 14.9502 16.1038 16.1038 16.6058 16.6058 k = 0.2308 0.1332 0.3768 ( 1388 PWs) bands (ev): -6.8951 -6.8951 2.9294 2.9294 4.5774 4.5774 5.1449 5.1449 7.7516 7.7516 7.8940 7.8940 8.1170 8.1170 8.2025 8.2025 9.6298 9.6298 13.9899 13.9899 14.8921 14.8921 16.0919 16.0919 16.5687 16.5687 k = 0.2250 0.1299 0.3674 ( 1392 PWs) bands (ev): -6.9230 -6.9230 2.9749 2.9749 4.6418 4.6418 5.1684 5.1684 7.7426 7.7426 7.8873 7.8873 8.1133 8.1133 8.1989 8.1989 9.6299 9.6299 14.0465 14.0465 14.8547 14.8547 16.0894 16.0894 16.5361 16.5361 k = 0.2192 0.1266 0.3580 ( 1392 PWs) bands (ev): -6.9515 -6.9515 3.0253 3.0253 4.7062 4.7062 5.1935 5.1935 7.7336 7.7336 7.8799 7.8799 8.1090 8.1090 8.1945 8.1945 9.6245 9.6245 14.0737 14.0737 14.8474 14.8474 16.0967 16.0967 16.5085 16.5085 k = 0.2135 0.1232 0.3486 ( 1388 PWs) bands (ev): -6.9805 -6.9805 3.0806 3.0806 4.7706 4.7706 5.2204 5.2204 7.7246 7.7246 7.8719 7.8719 8.1040 8.1040 8.1894 8.1894 9.6136 9.6136 14.0658 14.0658 14.8759 14.8759 16.1137 16.1137 16.4858 16.4858 k = 0.2077 0.1199 0.3392 ( 1388 PWs) bands (ev): -7.0100 -7.0100 3.1407 3.1407 4.8348 4.8348 5.2490 5.2490 7.7155 7.7155 7.8633 7.8633 8.0984 8.0984 8.1835 8.1835 9.5972 9.5972 14.0254 14.0254 14.9375 14.9375 16.1402 16.1402 16.4681 16.4681 k = 0.2019 0.1166 0.3297 ( 1384 PWs) bands (ev): -7.0399 -7.0399 3.2053 3.2053 4.8987 4.8987 5.2794 5.2794 7.7063 7.7063 7.8542 7.8542 8.0921 8.0921 8.1768 8.1768 9.5754 9.5754 13.9607 13.9607 15.0241 15.0241 16.1761 16.1761 16.4556 16.4556 k = 0.1962 0.1132 0.3203 ( 1384 PWs) bands (ev): -7.0700 -7.0700 3.2746 3.2746 4.9621 4.9621 5.3118 5.3118 7.6972 7.6972 7.8446 7.8446 8.0850 8.0850 8.1692 8.1692 9.5484 9.5484 13.8793 13.8793 15.1281 15.1281 16.2213 16.2213 16.4484 16.4484 k = 0.1904 0.1099 0.3109 ( 1386 PWs) bands (ev): -7.1004 -7.1004 3.3482 3.3482 5.0249 5.0249 5.3461 5.3461 7.6880 7.6880 7.8346 7.8346 8.0773 8.0773 8.1608 8.1608 9.5163 9.5163 13.7867 13.7867 15.2437 15.2437 16.2753 16.2753 16.4466 16.4466 k = 0.1846 0.1066 0.3015 ( 1378 PWs) bands (ev): -7.1309 -7.1309 3.4261 3.4261 5.0868 5.0868 5.3827 5.3827 7.6789 7.6789 7.8244 7.8244 8.0690 8.0690 8.1515 8.1515 9.4796 9.4796 13.6863 13.6863 15.3677 15.3677 16.3378 16.3378 16.4508 16.4508 k = 0.1788 0.1033 0.2921 ( 1378 PWs) bands (ev): -7.1614 -7.1614 3.5081 3.5081 5.1477 5.1477 5.4215 5.4215 7.6698 7.6698 7.8138 7.8138 8.0601 8.0601 8.1413 8.1413 9.4382 9.4382 13.5800 13.5800 15.4978 15.4978 16.4060 16.4060 16.4631 16.4631 k = 0.1731 0.0999 0.2826 ( 1380 PWs) bands (ev): -7.1919 -7.1919 3.5941 3.5941 5.2074 5.2074 5.4627 5.4627 7.6607 7.6607 7.8029 7.8029 8.0507 8.0507 8.1302 8.1302 9.3925 9.3925 13.4692 13.4692 15.6325 15.6325 16.4589 16.4589 16.5044 16.5044 k = 0.1673 0.0966 0.2732 ( 1380 PWs) bands (ev): -7.2222 -7.2222 3.6839 3.6839 5.2657 5.2657 5.5064 5.5064 7.6516 7.6516 7.7918 7.7918 8.0407 8.0407 8.1182 8.1182 9.3429 9.3429 13.3546 13.3546 15.7709 15.7709 16.4847 16.4847 16.5864 16.5864 k = 0.1615 0.0933 0.2638 ( 1380 PWs) bands (ev): -7.2523 -7.2523 3.7774 3.7774 5.3225 5.3225 5.5525 5.5525 7.6427 7.6427 7.7805 7.7805 8.0303 8.0303 8.1054 8.1054 9.2897 9.2897 13.2368 13.2368 15.9122 15.9122 16.5110 16.5110 16.6813 16.6813 k = 0.1558 0.0899 0.2544 ( 1376 PWs) bands (ev): -7.2821 -7.2821 3.8745 3.8745 5.3779 5.3779 5.6011 5.6011 7.6338 7.6338 7.7691 7.7691 8.0195 8.0195 8.0918 8.0918 9.2332 9.2332 13.1162 13.1162 16.0557 16.0557 16.5420 16.5420 16.7847 16.7847 k = 0.1500 0.0866 0.2449 ( 1376 PWs) bands (ev): -7.3115 -7.3115 3.9748 3.9748 5.4319 5.4319 5.6519 5.6519 7.6249 7.6249 7.7575 7.7575 8.0083 8.0083 8.0772 8.0772 9.1737 9.1737 12.9931 12.9931 16.2007 16.2007 16.5786 16.5786 16.8956 16.8956 k = 0.1442 0.0833 0.2355 ( 1376 PWs) bands (ev): -7.3405 -7.3405 4.0783 4.0783 5.4848 5.4848 5.7046 5.7046 7.6162 7.6162 7.7458 7.7458 7.9968 7.9968 8.0619 8.0619 9.1115 9.1115 12.8677 12.8677 16.3462 16.3462 16.6215 16.6215 17.0134 17.0134 k = 0.1385 0.0799 0.2261 ( 1376 PWs) bands (ev): -7.3689 -7.3689 4.1846 4.1846 5.5369 5.5369 5.7589 5.7589 7.6076 7.6076 7.7340 7.7340 7.9850 7.9850 8.0458 8.0458 9.0469 9.0469 12.7402 12.7402 16.4902 16.4902 16.6722 16.6722 17.1379 17.1379 k = 0.1327 0.0766 0.2167 ( 1376 PWs) bands (ev): -7.3968 -7.3968 4.2937 4.2937 5.5884 5.5884 5.8144 5.8144 7.5991 7.5991 7.7221 7.7221 7.9729 7.9729 8.0289 8.0289 8.9802 8.9802 12.6108 12.6108 16.6259 16.6259 16.7371 16.7371 17.2688 17.2688 k = 0.1269 0.0733 0.2073 ( 1376 PWs) bands (ev): -7.4239 -7.4239 4.4053 4.4053 5.6396 5.6396 5.8708 5.8708 7.5907 7.5907 7.7103 7.7103 7.9605 7.9605 8.0113 8.0113 8.9118 8.9118 12.4797 12.4797 16.7328 16.7328 16.8361 16.8361 17.4056 17.4056 k = 0.1212 0.0699 0.1978 ( 1376 PWs) bands (ev): -7.4503 -7.4503 4.5190 4.5190 5.6907 5.6907 5.9278 5.9278 7.5824 7.5824 7.6984 7.6984 7.9479 7.9479 7.9931 7.9931 8.8418 8.8418 12.3472 12.3472 16.8105 16.8105 16.9689 16.9689 17.5483 17.5483 k = 0.1154 0.0666 0.1884 ( 1388 PWs) bands (ev): -7.4759 -7.4759 4.6347 4.6347 5.7421 5.7421 5.9850 5.9850 7.5741 7.5741 7.6865 7.6865 7.9349 7.9349 7.9742 7.9742 8.7706 8.7706 12.2135 12.2135 16.8823 16.8823 17.1112 17.1112 17.6962 17.6962 k = 0.1096 0.0633 0.1790 ( 1387 PWs) bands (ev): -7.5006 -7.5006 4.7519 4.7519 5.7938 5.7938 6.0423 6.0423 7.5661 7.5661 7.6748 7.6748 7.9217 7.9217 7.9550 7.9550 8.6985 8.6985 12.0790 12.0790 16.9562 16.9562 17.2548 17.2548 17.8495 17.8495 k = 0.1038 0.0600 0.1696 ( 1387 PWs) bands (ev): -7.5244 -7.5244 4.8703 4.8703 5.8461 5.8461 6.0994 6.0994 7.5581 7.5581 7.6632 7.6632 7.9079 7.9079 7.9356 7.9356 8.6257 8.6257 11.9439 11.9439 17.0336 17.0336 17.3966 17.3966 18.0078 18.0078 k = 0.0981 0.0566 0.1602 ( 1399 PWs) bands (ev): -7.5472 -7.5472 4.9895 4.9895 5.8991 5.8991 6.1561 6.1561 7.5501 7.5501 7.6515 7.6515 7.8933 7.8933 7.9162 7.9162 8.5524 8.5524 11.8086 11.8086 17.1151 17.1151 17.5351 17.5351 18.1709 18.1709 k = 0.0923 0.0533 0.1507 ( 1399 PWs) bands (ev): -7.5690 -7.5690 5.1090 5.1090 5.9529 5.9529 6.2124 6.2124 7.5422 7.5422 7.6400 7.6400 7.8777 7.8777 7.8975 7.8975 8.4790 8.4790 11.6736 11.6736 17.2007 17.2007 17.6689 17.6689 18.3385 18.3385 k = 0.0865 0.0500 0.1413 ( 1399 PWs) bands (ev): -7.5897 -7.5897 5.2282 5.2282 6.0077 6.0077 6.2682 6.2682 7.5344 7.5344 7.6287 7.6287 7.8605 7.8605 7.8798 7.8798 8.4057 8.4057 11.5393 11.5393 17.2902 17.2902 17.7964 17.7964 18.5104 18.5104 k = 0.0808 0.0466 0.1319 ( 1405 PWs) bands (ev): -7.6092 -7.6092 5.3463 5.3463 6.0637 6.0637 6.3232 6.3232 7.5265 7.5265 7.6174 7.6174 7.8418 7.8418 7.8631 7.8631 8.3328 8.3328 11.4064 11.4064 17.3834 17.3834 17.9162 17.9162 18.6856 18.6856 k = 0.0750 0.0433 0.1225 ( 1405 PWs) bands (ev): -7.6276 -7.6276 5.4626 5.4626 6.1210 6.1210 6.3774 6.3774 7.5186 7.5186 7.6062 7.6062 7.8223 7.8223 7.8470 7.8470 8.2606 8.2606 11.2755 11.2755 17.4800 17.4800 18.0267 18.0267 18.7024 18.7024 k = 0.0692 0.0400 0.1131 ( 1405 PWs) bands (ev): -7.6448 -7.6448 5.5759 5.5759 6.1800 6.1800 6.4307 6.4307 7.5106 7.5106 7.5950 7.5950 7.8024 7.8024 7.8310 7.8310 8.1894 8.1894 11.1473 11.1473 17.5794 17.5794 18.1265 18.1265 18.6775 18.6775 k = 0.0635 0.0366 0.1036 ( 1405 PWs) bands (ev): -7.6608 -7.6608 5.6851 5.6851 6.2411 6.2411 6.4830 6.4830 7.5024 7.5024 7.5837 7.5837 7.7828 7.7828 7.8146 7.8146 8.1197 8.1197 11.0226 11.0226 17.6812 17.6812 18.2144 18.2144 18.6545 18.6545 k = 0.0577 0.0333 0.0942 ( 1405 PWs) bands (ev): -7.6754 -7.6754 5.7886 5.7886 6.3047 6.3047 6.5342 6.5342 7.4940 7.4940 7.5721 7.5721 7.7636 7.7636 7.7978 7.7978 8.0519 8.0519 10.9024 10.9024 17.7845 17.7845 18.2898 18.2898 18.6335 18.6335 k = 0.0519 0.0300 0.0848 ( 1401 PWs) bands (ev): -7.6888 -7.6888 5.8850 5.8850 6.3711 6.3711 6.5842 6.5842 7.4851 7.4851 7.5599 7.5599 7.7454 7.7454 7.7804 7.7804 7.9868 7.9868 10.7878 10.7878 17.8885 17.8885 18.3525 18.3525 18.6147 18.6147 k = 0.0462 0.0266 0.0754 ( 1401 PWs) bands (ev): -7.7008 -7.7008 5.9726 5.9726 6.4405 6.4405 6.6327 6.6327 7.4759 7.4759 7.5467 7.5467 7.7283 7.7283 7.7625 7.7625 7.9249 7.9249 10.6798 10.6798 17.9919 17.9919 18.4030 18.4030 18.5979 18.5979 k = 0.0404 0.0233 0.0659 ( 1393 PWs) bands (ev): -7.7115 -7.7115 6.0504 6.0504 6.5125 6.5125 6.6795 6.6795 7.4662 7.4662 7.5320 7.5320 7.7127 7.7127 7.7442 7.7442 7.8673 7.8673 10.5798 10.5798 18.0936 18.0936 18.4426 18.4426 18.5832 18.5832 k = 0.0346 0.0200 0.0565 ( 1399 PWs) bands (ev): -7.7208 -7.7208 6.1174 6.1174 6.5858 6.5858 6.7240 6.7240 7.4559 7.4559 7.5152 7.5152 7.6986 7.6986 7.7259 7.7259 7.8150 7.8150 10.4890 10.4890 18.1910 18.1910 18.4724 18.4724 18.5708 18.5708 k = 0.0288 0.0167 0.0471 ( 1399 PWs) bands (ev): -7.7286 -7.7286 6.1736 6.1736 6.6585 6.6585 6.7657 6.7657 7.4453 7.4453 7.4957 7.4957 7.6863 7.6863 7.7085 7.7085 7.7695 7.7695 10.4090 10.4090 18.2821 18.2821 18.4940 18.4940 18.5608 18.5608 k = 0.0231 0.0133 0.0377 ( 1403 PWs) bands (ev): -7.7351 -7.7351 6.2191 6.2191 6.7274 6.7274 6.8035 6.8035 7.4345 7.4345 7.4737 7.4737 7.6758 7.6758 7.6929 7.6929 7.7317 7.7317 10.3410 10.3410 18.3636 18.3636 18.5086 18.5086 18.5535 18.5535 k = 0.0173 0.0100 0.0283 ( 1407 PWs) bands (ev): -7.7402 -7.7402 6.2542 6.2542 6.7890 6.7890 6.8359 6.8359 7.4241 7.4241 7.4503 7.4503 7.6670 7.6670 7.6803 7.6803 7.7023 7.7023 10.2865 10.2865 18.4322 18.4322 18.5172 18.5172 18.5497 18.5497 k = 0.0115 0.0067 0.0188 ( 1411 PWs) bands (ev): -7.7438 -7.7438 6.2791 6.2791 6.8388 6.8388 6.8613 6.8613 7.4152 7.4152 7.4286 7.4286 7.6600 7.6600 7.6715 7.6715 7.6814 7.6814 10.2467 10.2467 18.4834 18.4834 18.5208 18.5208 18.5501 18.5501 k = 0.0058 0.0033 0.0094 ( 1411 PWs) bands (ev): -7.7460 -7.7460 6.2940 6.2940 6.8717 6.8717 6.8777 6.8777 7.4091 7.4091 7.4128 7.4128 7.6552 7.6552 7.6665 7.6665 7.6690 7.6690 10.2223 10.2223 18.5131 18.5131 18.5216 18.5216 18.5541 18.5541 k = 0.0000 0.0000 0.0000 ( 1411 PWs) bands (ev): -7.7467 -7.7467 6.2989 6.2989 6.8834 6.8834 6.8834 6.8834 7.4069 7.4069 7.4069 7.4069 7.6535 7.6535 7.6649 7.6649 7.6649 7.6649 10.2142 10.2142 18.5217 18.5217 18.5217 18.5217 18.5572 18.5572 k = 0.0000 0.0000 0.0000 ( 1411 PWs) bands (ev): -7.7467 -7.7467 6.2989 6.2989 6.8834 6.8834 6.8834 6.8834 7.4069 7.4069 7.4069 7.4069 7.6535 7.6535 7.6649 7.6649 7.6649 7.6649 10.2142 10.2142 18.5217 18.5217 18.5217 18.5217 18.5572 18.5572 k = 0.0094 0.0054 0.0039 ( 1411 PWs) bands (ev): -7.7460 -7.7460 6.2940 6.2940 6.8729 6.8729 6.8765 6.8765 7.4101 7.4101 7.4118 7.4118 7.6553 7.6553 7.6675 7.6675 7.6680 7.6680 10.2224 10.2224 18.5125 18.5125 18.5221 18.5221 18.5542 18.5542 k = 0.0189 0.0109 0.0077 ( 1411 PWs) bands (ev): -7.7438 -7.7438 6.2791 6.2791 6.8428 6.8428 6.8567 6.8567 7.4187 7.4187 7.4255 7.4255 7.6601 7.6601 7.6754 7.6754 7.6776 7.6776 10.2467 10.2467 18.4806 18.4806 18.5232 18.5232 18.5504 18.5504 k = 0.0283 0.0163 0.0116 ( 1405 PWs) bands (ev): -7.7402 -7.7402 6.2543 6.2543 6.7964 6.7964 6.8264 6.8264 7.4308 7.4308 7.4449 7.4449 7.6674 7.6674 7.6894 7.6894 7.6937 7.6937 10.2865 10.2865 18.4257 18.4257 18.5247 18.5247 18.5486 18.5486 k = 0.0377 0.0218 0.0154 ( 1399 PWs) bands (ev): -7.7351 -7.7351 6.2196 6.2196 6.7375 6.7375 6.7881 6.7881 7.4441 7.4441 7.4668 7.4668 7.6765 7.6765 7.7101 7.7101 7.7163 7.7163 10.3408 10.3408 18.3520 18.3520 18.5264 18.5264 18.5473 18.5473 k = 0.0472 0.0272 0.0193 ( 1399 PWs) bands (ev): -7.7286 -7.7286 6.1747 6.1747 6.6701 6.6701 6.7443 6.7443 7.4572 7.4572 7.4881 7.4881 7.6868 7.6868 7.7381 7.7381 7.7449 7.7449 10.4081 10.4081 18.2642 18.2642 18.5274 18.5274 18.5450 18.5450 k = 0.0566 0.0327 0.0231 ( 1396 PWs) bands (ev): -7.7207 -7.7207 6.1194 6.1194 6.5976 6.5976 6.6965 6.6965 7.4695 7.4695 7.5073 7.5073 7.6977 7.6977 7.7733 7.7733 7.7788 7.7788 10.4870 10.4870 18.1656 18.1656 18.5271 18.5271 18.5406 18.5406 k = 0.0660 0.0381 0.0270 ( 1396 PWs) bands (ev): -7.7114 -7.7114 6.0533 6.0533 6.5233 6.5233 6.6462 6.6462 7.4808 7.4808 7.5238 7.5238 7.7089 7.7089 7.8149 7.8149 7.8174 7.8174 10.5760 10.5760 18.0599 18.0599 18.5243 18.5243 18.5327 18.5327 k = 0.0755 0.0436 0.0308 ( 1396 PWs) bands (ev): -7.7007 -7.7007 5.9761 5.9761 6.4497 6.4497 6.5940 6.5940 7.4912 7.4912 7.5380 7.5380 7.7201 7.7201 7.8599 7.8599 7.8618 7.8618 10.6735 10.6735 17.9493 17.9493 18.5174 18.5174 18.5195 18.5195 k = 0.0849 0.0490 0.0347 ( 1399 PWs) bands (ev): -7.6886 -7.6886 5.8882 5.8882 6.3783 6.3783 6.5408 6.5408 7.5010 7.5010 7.5504 7.5504 7.7311 7.7311 7.9056 7.9056 7.9125 7.9125 10.7780 10.7780 17.8358 17.8358 18.4992 18.4992 18.5047 18.5047 k = 0.0943 0.0545 0.0385 ( 1399 PWs) bands (ev): -7.6752 -7.6752 5.7903 5.7903 6.3101 6.3101 6.4870 6.4870 7.5103 7.5103 7.5616 7.5616 7.7418 7.7418 7.9540 7.9540 7.9663 7.9663 10.8882 10.8882 17.7210 17.7210 18.4696 18.4696 18.4841 18.4841 k = 0.1038 0.0599 0.0424 ( 1405 PWs) bands (ev): -7.6605 -7.6605 5.6837 5.6837 6.2452 6.2452 6.4328 6.4328 7.5195 7.5195 7.5721 7.5721 7.7523 7.7523 8.0043 8.0043 8.0220 8.0220 11.0027 11.0027 17.6063 17.6063 18.4288 18.4288 18.4535 18.4535 k = 0.1132 0.0654 0.0462 ( 1399 PWs) bands (ev): -7.6445 -7.6445 5.5699 5.5699 6.1833 6.1833 6.3787 6.3787 7.5286 7.5286 7.5822 7.5822 7.7626 7.7626 8.0566 8.0566 8.0794 8.0794 11.1204 11.1204 17.4927 17.4927 18.3755 18.3755 18.4111 18.4111 k = 0.1226 0.0708 0.0501 ( 1405 PWs) bands (ev): -7.6273 -7.6273 5.4504 5.4504 6.1240 6.1240 6.3247 6.3247 7.5377 7.5377 7.5920 7.5920 7.7726 7.7726 8.1100 8.1100 8.1377 8.1377 11.2401 11.2401 17.3812 17.3812 18.3088 18.3088 18.3552 18.3552 k = 0.1321 0.0763 0.0539 ( 1405 PWs) bands (ev): -7.6089 -7.6089 5.3264 5.3264 6.0668 6.0668 6.2711 6.2711 7.5469 7.5469 7.6018 7.6018 7.7826 7.7826 8.1645 8.1645 8.1968 8.1968 11.3608 11.3608 17.2727 17.2727 18.2296 18.2296 18.2861 18.2861 k = 0.1415 0.0817 0.0578 ( 1399 PWs) bands (ev): -7.5893 -7.5893 5.1993 5.1993 6.0114 6.0114 6.2180 6.2180 7.5564 7.5564 7.6117 7.6117 7.7926 7.7926 8.2197 8.2197 8.2563 8.2563 11.4815 11.4815 17.1678 17.1678 18.1392 18.1392 18.2045 18.2045 k = 0.1509 0.0871 0.0616 ( 1399 PWs) bands (ev): -7.5686 -7.5686 5.0698 5.0698 5.9576 5.9576 6.1655 6.1655 7.5660 7.5660 7.6217 7.6217 7.8025 7.8025 8.2755 8.2755 8.3160 8.3160 11.6011 11.6011 17.0672 17.0672 18.0393 18.0393 18.1119 18.1119 k = 0.1604 0.0926 0.0655 ( 1399 PWs) bands (ev): -7.5468 -7.5468 4.9387 4.9387 5.9051 5.9051 6.1137 6.1137 7.5759 7.5759 7.6319 7.6319 7.8125 7.8125 8.3316 8.3316 8.3756 8.3756 11.7189 11.7189 16.9716 16.9716 17.9321 17.9321 18.0104 18.0104 k = 0.1698 0.0980 0.0693 ( 1399 PWs) bands (ev): -7.5239 -7.5239 4.8066 4.8066 5.8540 5.8540 6.0627 6.0627 7.5859 7.5859 7.6423 7.6423 7.8225 7.8225 8.3878 8.3878 8.4352 8.4352 11.8338 11.8338 16.8816 16.8816 17.8195 17.8195 17.9022 17.9022 k = 0.1792 0.1035 0.0732 ( 1387 PWs) bands (ev): -7.5002 -7.5002 4.6743 4.6743 5.8040 5.8040 6.0126 6.0126 7.5964 7.5964 7.6529 7.6529 7.8328 7.8328 8.4441 8.4441 8.4945 8.4945 11.9450 11.9450 16.7980 16.7980 17.7031 17.7031 17.7890 17.7890 k = 0.1887 0.1089 0.0770 ( 1387 PWs) bands (ev): -7.4755 -7.4755 4.5420 4.5420 5.7552 5.7552 5.9635 5.9635 7.6070 7.6070 7.6637 7.6637 7.8431 7.8431 8.5002 8.5002 8.5534 8.5534 12.0515 12.0515 16.7212 16.7212 17.5844 17.5844 17.6725 17.6725 k = 0.1981 0.1144 0.0809 ( 1387 PWs) bands (ev): -7.4499 -7.4499 4.4102 4.4102 5.7075 5.7075 5.9153 5.9153 7.6178 7.6178 7.6746 7.6746 7.8536 7.8536 8.5561 8.5561 8.6118 8.6118 12.1525 12.1525 16.6518 16.6518 17.4644 17.4644 17.5540 17.5540 k = 0.2075 0.1198 0.0847 ( 1387 PWs) bands (ev): -7.4236 -7.4236 4.2792 4.2792 5.6610 5.6610 5.8682 5.8682 7.6288 7.6288 7.6858 7.6858 7.8643 7.8643 8.6116 8.6116 8.6696 8.6696 12.2471 12.2471 16.5905 16.5905 17.3440 17.3440 17.4345 17.4345 k = 0.2170 0.1253 0.0886 ( 1387 PWs) bands (ev): -7.3966 -7.3966 4.1495 4.1495 5.6156 5.6156 5.8222 5.8222 7.6400 7.6400 7.6970 7.6970 7.8752 7.8752 8.6666 8.6666 8.7268 8.7268 12.3345 12.3345 16.5376 16.5376 17.2240 17.2240 17.3148 17.3148 k = 0.2264 0.1307 0.0924 ( 1393 PWs) bands (ev): -7.3690 -7.3690 4.0212 4.0212 5.5714 5.5714 5.7773 5.7773 7.6513 7.6513 7.7084 7.7084 7.8863 7.8863 8.7210 8.7210 8.7833 8.7833 12.4140 12.4140 16.4936 16.4936 17.1049 17.1049 17.1955 17.1955 k = 0.2358 0.1362 0.0963 ( 1396 PWs) bands (ev): -7.3408 -7.3408 3.8947 3.8947 5.5285 5.5285 5.7337 5.7337 7.6628 7.6628 7.7198 7.7198 7.8975 7.8975 8.7748 8.7748 8.8389 8.8389 12.4850 12.4850 16.4586 16.4586 16.9876 16.9876 17.0775 17.0775 k = 0.2453 0.1416 0.1001 ( 1390 PWs) bands (ev): -7.3121 -7.3121 3.7701 3.7701 5.4867 5.4867 5.6912 5.6912 7.6746 7.6746 7.7315 7.7315 7.9090 7.9090 8.8278 8.8278 8.8937 8.8937 12.5470 12.5470 16.4327 16.4327 16.8724 16.8724 16.9609 16.9609 k = 0.2547 0.1471 0.1040 ( 1390 PWs) bands (ev): -7.2830 -7.2830 3.6478 3.6478 5.4463 5.4463 5.6501 5.6501 7.6864 7.6864 7.7430 7.7430 7.9207 7.9207 8.8800 8.8800 8.9476 8.9476 12.5998 12.5998 16.4154 16.4154 16.7601 16.7601 16.8462 16.8462 k = 0.2642 0.1525 0.1078 ( 1384 PWs) bands (ev): -7.2537 -7.2537 3.5279 3.5279 5.4071 5.4071 5.6103 5.6103 7.6983 7.6983 7.7547 7.7547 7.9325 7.9325 8.9312 8.9312 9.0005 9.0005 12.6431 12.6431 16.4052 16.4052 16.6524 16.6524 16.7337 16.7337 k = 0.2736 0.1580 0.1117 ( 1387 PWs) bands (ev): -7.2242 -7.2242 3.4107 3.4107 5.3693 5.3693 5.5717 5.5717 7.7101 7.7101 7.7662 7.7662 7.9444 7.9444 8.9815 8.9815 9.0522 9.0522 12.6770 12.6770 16.3969 16.3969 16.5540 16.5540 16.6237 16.6237 k = 0.2830 0.1634 0.1155 ( 1387 PWs) bands (ev): -7.1946 -7.1946 3.2964 3.2964 5.3327 5.3327 5.5346 5.5346 7.7219 7.7219 7.7776 7.7776 7.9564 7.9564 9.0307 9.0307 9.1029 9.1029 12.7020 12.7020 16.3689 16.3689 16.4863 16.4863 16.5163 16.5163 k = 0.2925 0.1688 0.1194 ( 1387 PWs) bands (ev): -7.1650 -7.1650 3.1852 3.1852 5.2976 5.2976 5.4988 5.4988 7.7337 7.7337 7.7889 7.7889 7.9685 7.9685 9.0787 9.0787 9.1523 9.1523 12.7184 12.7184 16.2956 16.2956 16.4118 16.4118 16.4745 16.4745 k = 0.3019 0.1743 0.1232 ( 1387 PWs) bands (ev): -7.1356 -7.1356 3.0772 3.0772 5.2638 5.2638 5.4645 5.4645 7.7454 7.7454 7.8001 7.8001 7.9806 7.9806 9.1255 9.1255 9.2004 9.2004 12.7270 12.7270 16.2040 16.2040 16.3104 16.3104 16.4904 16.4904 k = 0.3113 0.1797 0.1271 ( 1393 PWs) bands (ev): -7.1063 -7.1063 2.9727 2.9727 5.2315 5.2315 5.4316 5.4316 7.7569 7.7569 7.8110 7.8110 7.9927 7.9927 9.1709 9.1709 9.2471 9.2471 12.7285 12.7285 16.1104 16.1104 16.2123 16.2123 16.5169 16.5169 k = 0.3208 0.1852 0.1309 ( 1399 PWs) bands (ev): -7.0775 -7.0775 2.8718 2.8718 5.2005 5.2005 5.4002 5.4002 7.7683 7.7683 7.8217 7.8217 8.0046 8.0046 9.2150 9.2150 9.2923 9.2923 12.7237 12.7237 16.0184 16.0184 16.1176 16.1176 16.5494 16.5494 k = 0.3302 0.1906 0.1348 ( 1399 PWs) bands (ev): -7.0491 -7.0491 2.7748 2.7748 5.1711 5.1711 5.3703 5.3703 7.7795 7.7795 7.8322 7.8322 8.0165 8.0165 9.2576 9.2576 9.3361 9.3361 12.7135 12.7135 15.9293 15.9293 16.0266 16.0266 16.5860 16.5860 k = 0.3396 0.1961 0.1387 ( 1399 PWs) bands (ev): -7.0213 -7.0213 2.6817 2.6817 5.1431 5.1431 5.3418 5.3418 7.7904 7.7904 7.8423 7.8423 8.0283 8.0283 9.2986 9.2986 9.3783 9.3783 12.6989 12.6989 15.8435 15.8435 15.9393 15.9393 16.6251 16.6251 k = 0.3491 0.2015 0.1425 ( 1410 PWs) bands (ev): -6.9942 -6.9942 2.5929 2.5929 5.1166 5.1166 5.3149 5.3149 7.8009 7.8009 7.8520 7.8520 8.0398 8.0398 9.3378 9.3378 9.4186 9.4186 12.6806 12.6806 15.7614 15.7614 15.8559 15.8559 16.6654 16.6654 k = 0.3585 0.2070 0.1464 ( 1410 PWs) bands (ev): -6.9680 -6.9680 2.5084 2.5084 5.0917 5.0917 5.2896 5.2896 7.8112 7.8112 7.8614 7.8614 8.0511 8.0511 9.3754 9.3754 9.4573 9.4573 12.6595 12.6595 15.6833 15.6833 15.7767 15.7767 16.7061 16.7061 k = 0.3679 0.2124 0.1502 ( 1410 PWs) bands (ev): -6.9427 -6.9427 2.4284 2.4284 5.0682 5.0682 5.2658 5.2658 7.8210 7.8210 7.8704 7.8704 8.0621 8.0621 9.4112 9.4112 9.4941 9.4941 12.6365 12.6365 15.6093 15.6093 15.7017 15.7017 16.7463 16.7463 k = 0.3774 0.2179 0.1541 ( 1398 PWs) bands (ev): -6.9185 -6.9185 2.3532 2.3532 5.0464 5.0464 5.2436 5.2436 7.8306 7.8306 7.8791 7.8791 8.0728 8.0728 9.4451 9.4451 9.5289 9.5289 12.6122 12.6122 15.5397 15.5397 15.6312 15.6312 16.7852 16.7852 k = 0.3868 0.2233 0.1579 ( 1398 PWs) bands (ev): -6.8955 -6.8955 2.2827 2.2827 5.0261 5.0261 5.2230 5.2230 7.8395 7.8395 7.8872 7.8872 8.0829 8.0829 9.4770 9.4770 9.5617 9.5617 12.5873 12.5873 15.4744 15.4744 15.5650 15.5650 16.8224 16.8224 k = 0.3962 0.2288 0.1618 ( 1392 PWs) bands (ev): -6.8738 -6.8738 2.2173 2.2173 5.0074 5.0074 5.2040 5.2040 7.8479 7.8479 7.8948 7.8948 8.0925 8.0925 9.5068 9.5068 9.5923 9.5923 12.5624 12.5624 15.4138 15.4138 15.5036 15.5036 16.8572 16.8572 k = 0.4057 0.2342 0.1656 ( 1392 PWs) bands (ev): -6.8535 -6.8535 2.1571 2.1571 4.9903 4.9903 5.1866 5.1866 7.8557 7.8557 7.9018 7.9018 8.1015 8.1015 9.5343 9.5343 9.6206 9.6206 12.5379 12.5379 15.3578 15.3578 15.4470 15.4470 16.8896 16.8896 k = 0.4151 0.2397 0.1695 ( 1401 PWs) bands (ev): -6.8349 -6.8349 2.1021 2.1021 4.9747 4.9747 5.1708 5.1708 7.8629 7.8629 7.9081 7.9081 8.1099 8.1099 9.5594 9.5594 9.6465 9.6465 12.5145 12.5145 15.3067 15.3067 15.3952 15.3952 16.9191 16.9191 k = 0.4245 0.2451 0.1733 ( 1401 PWs) bands (ev): -6.8178 -6.8178 2.0525 2.0525 4.9608 4.9608 5.1567 5.1567 7.8694 7.8694 7.9139 7.9139 8.1176 8.1176 9.5823 9.5823 9.6701 9.6701 12.4924 12.4924 15.2607 15.2607 15.3485 15.3485 16.9456 16.9456 k = 0.4340 0.2505 0.1772 ( 1401 PWs) bands (ev): -6.8026 -6.8026 2.0085 2.0085 4.9484 4.9484 5.1442 5.1442 7.8753 7.8753 7.9191 7.9191 8.1246 8.1246 9.6026 9.6026 9.6911 9.6911 12.4721 12.4721 15.2197 15.2197 15.3070 15.3070 16.9691 16.9691 k = 0.4434 0.2560 0.1810 ( 1398 PWs) bands (ev): -6.7891 -6.7891 1.9701 1.9701 4.9378 4.9378 5.1334 5.1334 7.8804 7.8804 7.9236 7.9236 8.1308 8.1308 9.6205 9.6205 9.7095 9.7095 12.4539 12.4539 15.1840 15.1840 15.2708 15.2708 16.9894 16.9894 k = 0.4528 0.2614 0.1849 ( 1392 PWs) bands (ev): -6.7776 -6.7776 1.9374 1.9374 4.9287 4.9287 5.1242 5.1242 7.8849 7.8849 7.9275 7.9275 8.1362 8.1362 9.6357 9.6357 9.7252 9.7252 12.4381 12.4381 15.1536 15.1536 15.2400 15.2400 17.0065 17.0065 k = 0.4623 0.2669 0.1887 ( 1392 PWs) bands (ev): -6.7681 -6.7681 1.9106 1.9106 4.9213 4.9213 5.1167 5.1167 7.8885 7.8885 7.9307 7.9307 8.1406 8.1406 9.6483 9.6483 9.7381 9.7381 12.4249 12.4249 15.1287 15.1287 15.2147 15.2147 17.0205 17.0205 k = 0.4717 0.2723 0.1926 ( 1392 PWs) bands (ev): -6.7606 -6.7606 1.8896 1.8896 4.9155 4.9155 5.1108 5.1108 7.8914 7.8914 7.9332 7.9332 8.1440 8.1440 9.6581 9.6581 9.7483 9.7483 12.4144 12.4144 15.1091 15.1091 15.1949 15.1949 17.0314 17.0314 k = 0.4811 0.2778 0.1964 ( 1392 PWs) bands (ev): -6.7553 -6.7553 1.8746 1.8746 4.9114 4.9114 5.1067 5.1067 7.8934 7.8934 7.9350 7.9350 8.1465 8.1465 9.6651 9.6651 9.7555 9.7555 12.4068 12.4068 15.0952 15.0952 15.1808 15.1808 17.0391 17.0391 k = 0.4906 0.2832 0.2003 ( 1392 PWs) bands (ev): -6.7520 -6.7520 1.8656 1.8656 4.9089 4.9089 5.1041 5.1041 7.8947 7.8947 7.9361 7.9361 8.1480 8.1480 9.6694 9.6694 9.7599 9.7599 12.4022 12.4022 15.0868 15.0868 15.1722 15.1722 17.0437 17.0437 k = 0.5000 0.2887 0.2041 ( 1404 PWs) bands (ev): -6.7510 -6.7510 1.8626 1.8626 4.9081 4.9081 5.1033 5.1033 7.8949 7.8949 7.9363 7.9363 8.1484 8.1484 9.6708 9.6708 9.7613 9.7613 12.4005 12.4005 15.0839 15.0839 15.1694 15.1694 17.0453 17.0453 k = 0.5000 0.2887 0.2041 ( 1404 PWs) bands (ev): -6.7510 -6.7510 1.8626 1.8626 4.9081 4.9081 5.1033 5.1033 7.8949 7.8949 7.9363 7.9363 8.1484 8.1484 9.6708 9.6708 9.7613 9.7613 12.4005 12.4005 15.0839 15.0839 15.1694 15.1694 17.0453 17.0453 k = 0.5033 0.2792 0.2095 ( 1400 PWs) bands (ev): -6.7507 -6.7507 1.8638 1.8638 4.9071 4.9071 5.1024 5.1024 7.8948 7.8948 7.9363 7.9363 8.1483 8.1483 9.6675 9.6675 9.7576 9.7576 12.4081 12.4081 15.0797 15.0797 15.1660 15.1660 17.0573 17.0573 k = 0.5066 0.2697 0.2149 ( 1396 PWs) bands (ev): -6.7498 -6.7498 1.8674 1.8674 4.9042 4.9042 5.0997 5.0997 7.8944 7.8944 7.9359 7.9359 8.1479 8.1479 9.6575 9.6575 9.7469 9.7469 12.4305 12.4305 15.0602 15.0602 15.1635 15.1635 17.0922 17.0922 k = 0.5099 0.2602 0.2202 ( 1396 PWs) bands (ev): -6.7483 -6.7483 1.8734 1.8734 4.8991 4.8991 5.0954 5.0954 7.8936 7.8936 7.9354 7.9354 8.1471 8.1471 9.6399 9.6399 9.7306 9.7306 12.4670 12.4670 15.0169 15.0169 15.1732 15.1732 17.1470 17.1470 k = 0.5132 0.2507 0.2256 ( 1396 PWs) bands (ev): -6.7462 -6.7462 1.8819 1.8819 4.8917 4.8917 5.0896 5.0896 7.8925 7.8925 7.9346 7.9346 8.1461 8.1461 9.6138 9.6138 9.7108 9.7108 12.5163 12.5163 14.9532 14.9532 15.1956 15.1956 17.2177 17.2177 k = 0.5164 0.2412 0.2310 ( 1396 PWs) bands (ev): -6.7435 -6.7435 1.8927 1.8927 4.8818 4.8818 5.0828 5.0828 7.8910 7.8910 7.9337 7.9337 8.1447 8.1447 9.5788 9.5788 9.6890 9.6890 12.5771 12.5771 14.8756 14.8756 15.2281 15.2281 17.2997 17.2997 k = 0.5197 0.2317 0.2364 ( 1396 PWs) bands (ev): -6.7402 -6.7402 1.9059 1.9059 4.8690 4.8690 5.0752 5.0752 7.8892 7.8892 7.9326 7.9326 8.1432 8.1432 9.5356 9.5356 9.6658 9.6658 12.6474 12.6474 14.7894 14.7894 15.2689 15.2689 17.3890 17.3890 k = 0.5230 0.2222 0.2417 ( 1396 PWs) bands (ev): -6.7364 -6.7364 1.9215 1.9215 4.8529 4.8529 5.0671 5.0671 7.8870 7.8870 7.9313 7.9313 8.1414 8.1414 9.4859 9.4859 9.6412 9.6412 12.7251 12.7251 14.6989 14.6989 15.3175 15.3175 17.4817 17.4817 k = 0.5263 0.2127 0.2471 ( 1402 PWs) bands (ev): -6.7321 -6.7321 1.9395 1.9395 4.8334 4.8334 5.0590 5.0590 7.8843 7.8843 7.9300 7.9300 8.1393 8.1393 9.4311 9.4311 9.6149 9.6149 12.8079 12.8079 14.6076 14.6076 15.3732 15.3732 17.5744 17.5744 k = 0.5296 0.2032 0.2525 ( 1400 PWs) bands (ev): -6.7272 -6.7272 1.9598 1.9598 4.8102 4.8102 5.0512 5.0512 7.8814 7.8814 7.9286 7.9286 8.1371 8.1371 9.3726 9.3726 9.5869 9.5869 12.8929 12.8929 14.5192 14.5192 15.4358 15.4358 17.6641 17.6641 k = 0.5329 0.1937 0.2578 ( 1400 PWs) bands (ev): -6.7218 -6.7218 1.9824 1.9824 4.7832 4.7832 5.0438 5.0438 7.8780 7.8780 7.9272 7.9272 8.1347 8.1347 9.3116 9.3116 9.5572 9.5572 12.9763 12.9763 14.4378 14.4378 15.5048 15.5048 17.7484 17.7484 k = 0.5362 0.1842 0.2632 ( 1396 PWs) bands (ev): -6.7159 -6.7159 2.0074 2.0074 4.7524 4.7524 5.0369 5.0369 7.8742 7.8742 7.9258 7.9258 8.1322 8.1322 9.2491 9.2491 9.5257 9.5257 13.0536 13.0536 14.3680 14.3680 15.5801 15.5801 17.8249 17.8249 k = 0.5395 0.1747 0.2686 ( 1402 PWs) bands (ev): -6.7096 -6.7096 2.0346 2.0346 4.7180 4.7180 5.0305 5.0305 7.8699 7.8699 7.9243 7.9243 8.1295 8.1295 9.1858 9.1858 9.4926 9.4926 13.1186 13.1186 14.3158 14.3158 15.6611 15.6611 17.8920 17.8920 k = 0.5428 0.1652 0.2740 ( 1400 PWs) bands (ev): -6.7029 -6.7029 2.0641 2.0641 4.6800 4.6800 5.0246 5.0246 7.8653 7.8653 7.9229 7.9229 8.1268 8.1268 9.1226 9.1226 9.4580 9.4580 13.1646 13.1646 14.2881 14.2881 15.7475 15.7475 17.9483 17.9483 k = 0.5461 0.1557 0.2793 ( 1400 PWs) bands (ev): -6.6958 -6.6958 2.0958 2.0958 4.6388 4.6388 5.0192 5.0192 7.8603 7.8603 7.9214 7.9214 8.1241 8.1241 9.0598 9.0598 9.4221 9.4221 13.1856 13.1856 14.2904 14.2904 15.8391 15.8391 17.9930 17.9930 k = 0.5493 0.1462 0.2847 ( 1400 PWs) bands (ev): -6.6883 -6.6883 2.1297 2.1297 4.5944 4.5944 5.0142 5.0142 7.8549 7.8549 7.9200 7.9200 8.1215 8.1215 8.9979 8.9979 9.3851 9.3851 13.1791 13.1791 14.3248 14.3248 15.9354 15.9354 18.0260 18.0260 k = 0.5526 0.1367 0.2901 ( 1396 PWs) bands (ev): -6.6806 -6.6806 2.1658 2.1658 4.5472 4.5472 5.0096 5.0096 7.8491 7.8491 7.9186 7.9186 8.1190 8.1190 8.9374 8.9374 9.3471 9.3471 13.1477 13.1477 14.3885 14.3885 16.0361 16.0361 18.0474 18.0474 k = 0.5559 0.1272 0.2954 ( 1396 PWs) bands (ev): -6.6725 -6.6725 2.2040 2.2040 4.4974 4.4974 5.0053 5.0053 7.8428 7.8428 7.9172 7.9172 8.1165 8.1165 8.8784 8.8784 9.3083 9.3083 13.0965 13.0965 14.4756 14.4756 16.1409 16.1409 18.0582 18.0582 k = 0.5592 0.1177 0.3008 ( 1390 PWs) bands (ev): -6.6642 -6.6642 2.2442 2.2442 4.4453 4.4453 5.0013 5.0013 7.8362 7.8362 7.9159 7.9159 8.1143 8.1143 8.8215 8.8215 9.2689 9.2689 13.0316 13.0316 14.5798 14.5798 16.2494 16.2494 18.0595 18.0595 k = 0.5625 0.1083 0.3062 ( 1394 PWs) bands (ev): -6.6558 -6.6558 2.2865 2.2865 4.3911 4.3911 4.9976 4.9976 7.8291 7.8291 7.9145 7.9145 8.1123 8.1123 8.7665 8.7665 9.2289 9.2289 12.9576 12.9576 14.6956 14.6956 16.3612 16.3612 18.0528 18.0528 k = 0.5658 0.0988 0.3116 ( 1390 PWs) bands (ev): -6.6471 -6.6471 2.3308 2.3308 4.3351 4.3351 4.9941 4.9941 7.8214 7.8214 7.9133 7.9133 8.1105 8.1105 8.7139 8.7139 9.1886 9.1886 12.8779 12.8779 14.8188 14.8188 16.4761 16.4761 18.0398 18.0398 k = 0.5691 0.0893 0.3169 ( 1392 PWs) bands (ev): -6.6384 -6.6384 2.3769 2.3769 4.2775 4.2775 4.9908 4.9908 7.8132 7.8132 7.9120 7.9120 8.1091 8.1091 8.6636 8.6636 9.1481 9.1481 12.7949 12.7949 14.9461 14.9461 16.5935 16.5935 18.0224 18.0224 k = 0.5724 0.0798 0.3223 ( 1392 PWs) bands (ev): -6.6297 -6.6297 2.4249 2.4249 4.2187 4.2187 4.9878 4.9878 7.8045 7.8045 7.9109 7.9109 8.1079 8.1079 8.6158 8.6158 9.1075 9.1075 12.7102 12.7102 15.0748 15.0748 16.7131 16.7131 18.0027 18.0027 k = 0.5757 0.0703 0.3277 ( 1394 PWs) bands (ev): -6.6209 -6.6209 2.4747 2.4747 4.1589 4.1589 4.9850 4.9850 7.7951 7.7951 7.9098 7.9098 8.1072 8.1072 8.5706 8.5706 9.0669 9.0669 12.6248 12.6248 15.2027 15.2027 16.8345 16.8345 17.9828 17.9828 k = 0.5789 0.0608 0.3330 ( 1396 PWs) bands (ev): -6.6122 -6.6122 2.5262 2.5262 4.0984 4.0984 4.9824 4.9824 7.7852 7.7852 7.9089 7.9089 8.1069 8.1069 8.5281 8.5281 9.0264 9.0264 12.5396 12.5396 15.3275 15.3275 16.9573 16.9573 17.9647 17.9647 k = 0.5822 0.0513 0.3384 ( 1396 PWs) bands (ev): -6.6037 -6.6037 2.5793 2.5793 4.0376 4.0376 4.9802 4.9802 7.7746 7.7746 7.9080 7.9080 8.1070 8.1070 8.4883 8.4883 8.9861 8.9861 12.4550 12.4550 15.4469 15.4469 17.0810 17.0810 17.9510 17.9510 k = 0.5855 0.0418 0.3438 ( 1400 PWs) bands (ev): -6.5953 -6.5953 2.6338 2.6338 3.9766 3.9766 4.9782 4.9782 7.7634 7.7634 7.9073 7.9073 8.1075 8.1075 8.4513 8.4513 8.9461 8.9461 12.3714 12.3714 15.5588 15.5588 17.2051 17.2051 17.9438 17.9438 k = 0.5888 0.0323 0.3492 ( 1400 PWs) bands (ev): -6.5871 -6.5871 2.6897 2.6897 3.9159 3.9159 4.9765 4.9765 7.7516 7.7516 7.9068 7.9068 8.1085 8.1085 8.4171 8.4171 8.9064 8.9064 12.2891 12.2891 15.6611 15.6611 17.3292 17.3292 17.9453 17.9453 k = 0.5921 0.0228 0.3545 ( 1399 PWs) bands (ev): -6.5793 -6.5793 2.7467 2.7467 3.8558 3.8558 4.9751 4.9751 7.7392 7.7392 7.9065 7.9065 8.1100 8.1100 8.3858 8.3858 8.8672 8.8672 12.2082 12.2082 15.7515 15.7515 17.4527 17.4527 17.9576 17.9576 k = 0.5954 0.0133 0.3599 ( 1399 PWs) bands (ev): -6.5718 -6.5718 2.8046 2.8046 3.7967 3.7967 4.9741 4.9741 7.7262 7.7262 7.9064 7.9064 8.1118 8.1118 8.3574 8.3574 8.8284 8.8284 12.1288 12.1288 15.8285 15.8285 17.5751 17.5751 17.9823 17.9823 k = 0.5987 0.0038 0.3653 ( 1399 PWs) bands (ev): -6.5647 -6.5647 2.8632 2.8632 3.7390 3.7390 4.9734 4.9734 7.7127 7.7127 7.9064 7.9064 8.1139 8.1139 8.3318 8.3318 8.7901 8.7901 12.0512 12.0512 15.8908 15.8908 17.6956 17.6956 18.0204 18.0204 k = 0.6020-0.0057 0.3706 ( 1399 PWs) bands (ev): -6.5581 -6.5581 2.9219 2.9219 3.6834 3.6834 4.9732 4.9732 7.6986 7.6986 7.9067 7.9067 8.1163 8.1163 8.3092 8.3092 8.7524 8.7524 11.9752 11.9752 15.9379 15.9379 17.8135 17.8135 18.0720 18.0720 k = 0.6053-0.0152 0.3760 ( 1395 PWs) bands (ev): -6.5520 -6.5520 2.9801 2.9801 3.6308 3.6308 4.9734 4.9734 7.6842 7.6842 7.9071 7.9071 8.1188 8.1188 8.2896 8.2896 8.7153 8.7153 11.9011 11.9011 15.9703 15.9703 17.9280 17.9280 18.1362 18.1362 k = 0.6086-0.0247 0.3814 ( 1396 PWs) bands (ev): -6.5466 -6.5466 3.0367 3.0367 3.5823 3.5823 4.9740 4.9740 7.6694 7.6694 7.9078 7.9078 8.1212 8.1212 8.2731 8.2731 8.6789 8.6789 11.8287 11.8287 15.9889 15.9889 18.0387 18.0387 18.2108 18.2108 k = 0.6118-0.0342 0.3868 ( 1398 PWs) bands (ev): -6.5417 -6.5417 3.0895 3.0895 3.5402 3.5402 4.9752 4.9752 7.6543 7.6543 7.9086 7.9086 8.1234 8.1234 8.2597 8.2597 8.6433 8.6433 11.7583 11.7583 15.9954 15.9954 18.1450 18.1450 18.2931 18.2931 k = 0.6151-0.0437 0.3921 ( 1396 PWs) bands (ev): -6.5377 -6.5377 3.1349 3.1349 3.5082 3.5082 4.9769 4.9769 7.6391 7.6391 7.9097 7.9097 8.1250 8.1250 8.2498 8.2498 8.6084 8.6084 11.6898 11.6898 15.9916 15.9916 18.2465 18.2465 18.3794 18.3794 k = 0.6184-0.0532 0.3975 ( 1400 PWs) bands (ev): -6.5344 -6.5344 3.1670 3.1670 3.4923 3.4923 4.9791 4.9791 7.6237 7.6237 7.9110 7.9110 8.1258 8.1258 8.2432 8.2432 8.5743 8.5743 11.6232 11.6232 15.9795 15.9795 18.3428 18.3428 18.4658 18.4658 k = 0.6217-0.0627 0.4029 ( 1393 PWs) bands (ev): -6.5319 -6.5319 3.1797 3.1797 3.4986 3.4986 4.9820 4.9820 7.6084 7.6084 7.9126 7.9126 8.1258 8.1258 8.2403 8.2403 8.5411 8.5411 11.5587 11.5587 15.9609 15.9609 18.4329 18.4329 18.5494 18.5494 k = 0.6250-0.0722 0.4082 ( 1392 PWs) bands (ev): -6.5303 -6.5303 3.1728 3.1728 3.5276 3.5276 4.9855 4.9855 7.5930 7.5930 7.9143 7.9143 8.1247 8.1247 8.2407 8.2407 8.5088 8.5088 11.4962 11.4962 15.9373 15.9373 18.5148 18.5148 18.6279 18.6279 k = 0.6250-0.0722 0.4082 ( 1392 PWs) bands (ev): -6.5303 -6.5303 3.1728 3.1728 3.5276 3.5276 4.9855 4.9855 7.5930 7.5930 7.9143 7.9143 8.1247 8.1247 8.2407 8.2407 8.5088 8.5088 11.4962 11.4962 15.9373 15.9373 18.5148 18.5148 18.6279 18.6279 k = 0.6193-0.0689 0.4175 ( 1396 PWs) bands (ev): -6.5302 -6.5302 3.1736 3.1736 3.5284 3.5284 4.9820 4.9820 7.5940 7.5940 7.9142 7.9142 8.1245 8.1245 8.2406 8.2406 8.5062 8.5062 11.5035 11.5035 15.9385 15.9385 18.5022 18.5022 18.6174 18.6174 k = 0.6136-0.0656 0.4268 ( 1396 PWs) bands (ev): -6.5298 -6.5298 3.1762 3.1762 3.5308 3.5308 4.9716 4.9716 7.5970 7.5970 7.9139 7.9139 8.1240 8.1240 8.2402 8.2402 8.4988 8.4988 11.5250 11.5250 15.9422 15.9422 18.4618 18.4618 18.5913 18.5913 k = 0.6080-0.0623 0.4361 ( 1392 PWs) bands (ev): -6.5291 -6.5291 3.1804 3.1804 3.5348 3.5348 4.9545 4.9545 7.6020 7.6020 7.9136 7.9136 8.1232 8.1232 8.2396 8.2396 8.4868 8.4868 11.5603 11.5603 15.9484 15.9484 18.3908 18.3908 18.5580 18.5580 k = 0.6023-0.0590 0.4454 ( 1386 PWs) bands (ev): -6.5283 -6.5283 3.1862 3.1862 3.5404 3.5404 4.9308 4.9308 7.6088 7.6088 7.9130 7.9130 8.1221 8.1221 8.2387 8.2387 8.4708 8.4708 11.6086 11.6086 15.9571 15.9571 18.2940 18.2940 18.5205 18.5205 k = 0.5966-0.0558 0.4546 ( 1386 PWs) bands (ev): -6.5272 -6.5272 3.1938 3.1938 3.5476 3.5476 4.9009 4.9009 7.6173 7.6173 7.9123 7.9123 8.1206 8.1206 8.2376 8.2376 8.4514 8.4514 11.6687 11.6687 15.9681 15.9681 18.1791 18.1791 18.4778 18.4778 k = 0.5909-0.0525 0.4639 ( 1384 PWs) bands (ev): -6.5259 -6.5259 3.2030 3.2030 3.5562 3.5562 4.8651 4.8651 7.6275 7.6275 7.9113 7.9113 8.1188 8.1188 8.2363 8.2363 8.4294 8.4294 11.7394 11.7394 15.9816 15.9816 18.0528 18.0528 18.4292 18.4292 k = 0.5852-0.0492 0.4732 ( 1384 PWs) bands (ev): -6.5244 -6.5244 3.2138 3.2138 3.5663 3.5663 4.8240 4.8240 7.6390 7.6390 7.9101 7.9101 8.1166 8.1166 8.2346 8.2346 8.4056 8.4056 11.8194 11.8194 15.9973 15.9973 17.9203 17.9203 18.3745 18.3745 k = 0.5795-0.0459 0.4825 ( 1384 PWs) bands (ev): -6.5227 -6.5227 3.2262 3.2262 3.5779 3.5779 4.7780 4.7780 7.6518 7.6518 7.9088 7.9088 8.1141 8.1141 8.2328 8.2328 8.3806 8.3806 11.9070 11.9070 16.0151 16.0151 17.7853 17.7853 18.3140 18.3140 k = 0.5739-0.0426 0.4918 ( 1386 PWs) bands (ev): -6.5209 -6.5209 3.2401 3.2401 3.5907 3.5907 4.7276 4.7276 7.6657 7.6657 7.9072 7.9072 8.1113 8.1113 8.2307 8.2307 8.3553 8.3553 12.0007 12.0007 16.0348 16.0348 17.6507 17.6507 18.2481 18.2481 k = 0.5682-0.0394 0.5010 ( 1384 PWs) bands (ev): -6.5189 -6.5189 3.2556 3.2556 3.6048 3.6048 4.6736 4.6736 7.6804 7.6804 7.9054 7.9054 8.1083 8.1083 8.2284 8.2284 8.3304 8.3304 12.0988 12.0988 16.0561 16.0561 17.5193 17.5193 18.1775 18.1775 k = 0.5625-0.0361 0.5103 ( 1388 PWs) bands (ev): -6.5169 -6.5169 3.2726 3.2726 3.6199 3.6199 4.6166 4.6166 7.6956 7.6956 7.9033 7.9033 8.1050 8.1050 8.2259 8.2259 8.3062 8.3062 12.1996 12.1996 16.0785 16.0785 17.3935 17.3935 18.1027 18.1027 k = 0.5568-0.0328 0.5196 ( 1388 PWs) bands (ev): -6.5148 -6.5148 3.2909 3.2909 3.6360 3.6360 4.5572 4.5572 7.7113 7.7113 7.9009 7.9009 8.1015 8.1015 8.2231 8.2231 8.2833 8.2833 12.3013 12.3013 16.1011 16.1011 17.2759 17.2759 18.0244 18.0244 k = 0.5511-0.0295 0.5289 ( 1395 PWs) bands (ev): -6.5127 -6.5127 3.3106 3.3106 3.6527 3.6527 4.4964 4.4964 7.7272 7.7272 7.8983 7.8983 8.0979 8.0979 8.2199 8.2199 8.2622 8.2622 12.4021 12.4021 16.1228 16.1228 17.1693 17.1693 17.9430 17.9430 k = 0.5455-0.0262 0.5381 ( 1392 PWs) bands (ev): -6.5107 -6.5107 3.3315 3.3315 3.6698 3.6698 4.4350 4.4350 7.7429 7.7429 7.8954 7.8954 8.0944 8.0944 8.2164 8.2164 8.2435 8.2435 12.4999 12.4999 16.1420 16.1420 17.0773 17.0773 17.8593 17.8593 k = 0.5398-0.0230 0.5474 ( 1394 PWs) bands (ev): -6.5087 -6.5087 3.3534 3.3534 3.6868 3.6868 4.3740 4.3740 7.7582 7.7582 7.8922 7.8922 8.0911 8.0911 8.2115 8.2115 8.2280 8.2280 12.5928 12.5928 16.1565 16.1565 17.0036 17.0036 17.7737 17.7737 k = 0.5341-0.0197 0.5567 ( 1396 PWs) bands (ev): -6.5068 -6.5068 3.3761 3.3761 3.7031 3.7031 4.3147 4.3147 7.7728 7.7728 7.8887 7.8887 8.0882 8.0882 8.2035 8.2035 8.2178 8.2178 12.6787 12.6787 16.1642 16.1642 16.9520 16.9520 17.6867 17.6867 k = 0.5284-0.0164 0.5660 ( 1399 PWs) bands (ev): -6.5050 -6.5050 3.3993 3.3993 3.7178 3.7178 4.2588 4.2588 7.7864 7.7864 7.8850 7.8850 8.0858 8.0858 8.1931 8.1931 8.2123 8.2123 12.7555 12.7555 16.1638 16.1638 16.9254 16.9254 17.5990 17.5990 k = 0.5227-0.0131 0.5753 ( 1399 PWs) bands (ev): -6.5035 -6.5035 3.4223 3.4223 3.7298 3.7298 4.2084 4.2084 7.7986 7.7986 7.8812 7.8812 8.0843 8.0843 8.1834 8.1834 8.2084 8.2084 12.8212 12.8212 16.1560 16.1560 16.9245 16.9245 17.5110 17.5110 k = 0.5170-0.0098 0.5845 ( 1399 PWs) bands (ev): -6.5022 -6.5022 3.4443 3.4443 3.7378 3.7378 4.1659 4.1659 7.8091 7.8091 7.8773 7.8773 8.0835 8.0835 8.1756 8.1756 8.2051 8.2051 12.8741 12.8741 16.1438 16.1438 16.9475 16.9475 17.4237 17.4237 k = 0.5114-0.0066 0.5938 ( 1393 PWs) bands (ev): -6.5012 -6.5012 3.4637 3.4637 3.7408 3.7408 4.1342 4.1342 7.8174 7.8174 7.8740 7.8740 8.0834 8.0834 8.1700 8.1700 8.2025 8.2025 12.9128 12.9128 16.1310 16.1310 16.9903 16.9903 17.3384 17.3384 k = 0.5057-0.0033 0.6031 ( 1384 PWs) bands (ev): -6.5006 -6.5006 3.4780 3.4780 3.7398 3.7398 4.1151 4.1151 7.8228 7.8228 7.8715 7.8715 8.0838 8.0838 8.1669 8.1669 8.2005 8.2005 12.9363 12.9363 16.1215 16.1215 17.0454 17.0454 17.2598 17.2598 k = 0.5000-0.0000 0.6124 ( 1384 PWs) bands (ev): -6.5004 -6.5004 3.4837 3.4837 3.7383 3.7383 4.1090 4.1090 7.8247 7.8247 7.8706 7.8706 8.0840 8.0840 8.1660 8.1660 8.1997 8.1997 12.9441 12.9441 16.1179 16.1179 17.0824 17.0824 17.2154 17.2154 k = 0.5000-0.0000 0.6124 ( 1384 PWs) bands (ev): -6.5004 -6.5004 3.4837 3.4837 3.7383 3.7383 4.1090 4.1090 7.8247 7.8247 7.8706 7.8706 8.0840 8.0840 8.1660 8.1660 8.1997 8.1997 12.9441 12.9441 16.1179 16.1179 17.0824 17.0824 17.2154 17.2154 k = 0.5000 0.0067 0.6029 ( 1384 PWs) bands (ev): -6.5008 -6.5008 3.4799 3.4799 3.7337 3.7337 4.1183 4.1183 7.8245 7.8245 7.8702 7.8702 8.0841 8.0841 8.1683 8.1683 8.2008 8.2008 12.9449 12.9449 16.1061 16.1061 17.0885 17.0885 17.2214 17.2214 k = 0.5000 0.0134 0.5934 ( 1396 PWs) bands (ev): -6.5018 -6.5018 3.4677 3.4677 3.7228 3.7228 4.1439 4.1439 7.8240 7.8240 7.8691 7.8691 8.0844 8.0844 8.1752 8.1752 8.2040 8.2040 12.9472 12.9472 16.0722 16.0722 17.1047 17.1047 17.2397 17.2397 k = 0.5000 0.0201 0.5839 ( 1402 PWs) bands (ev): -6.5036 -6.5036 3.4458 3.4458 3.7118 3.7118 4.1811 4.1811 7.8233 7.8233 7.8674 7.8674 8.0850 8.0850 8.1859 8.1859 8.2101 8.2101 12.9511 12.9511 16.0197 16.0197 17.1268 17.1268 17.2710 17.2710 k = 0.5000 0.0269 0.5744 ( 1402 PWs) bands (ev): -6.5060 -6.5060 3.4133 3.4133 3.7059 3.7059 4.2254 4.2254 7.8226 7.8226 7.8654 7.8654 8.0860 8.0860 8.1992 8.1992 8.2200 8.2200 12.9567 12.9567 15.9529 15.9529 17.1514 17.1514 17.3139 17.3139 k = 0.5000 0.0336 0.5649 ( 1398 PWs) bands (ev): -6.5092 -6.5092 3.3712 3.3712 3.7072 3.7072 4.2736 4.2736 7.8217 7.8217 7.8634 7.8634 8.0872 8.0872 8.2130 8.2130 8.2356 8.2356 12.9640 12.9640 15.8755 15.8755 17.1775 17.1775 17.3648 17.3648 k = 0.5000 0.0403 0.5554 ( 1398 PWs) bands (ev): -6.5130 -6.5130 3.3217 3.3217 3.7157 3.7157 4.3236 4.3236 7.8209 7.8209 7.8613 7.8613 8.0885 8.0885 8.2266 8.2266 8.2573 8.2573 12.9730 12.9730 15.7905 15.7905 17.2054 17.2054 17.4194 17.4194 k = 0.5000 0.0470 0.5459 ( 1400 PWs) bands (ev): -6.5174 -6.5174 3.2669 3.2669 3.7302 3.7302 4.3741 4.3741 7.8201 7.8201 7.8595 7.8595 8.0898 8.0898 8.2410 8.2410 8.2838 8.2838 12.9839 12.9839 15.7001 15.7001 17.2356 17.2356 17.4736 17.4736 k = 0.5000 0.0537 0.5364 ( 1400 PWs) bands (ev): -6.5224 -6.5224 3.2087 3.2087 3.7499 3.7499 4.4242 4.4242 7.8194 7.8194 7.8582 7.8582 8.0911 8.0911 8.2570 8.2570 8.3143 8.3143 12.9968 12.9968 15.6058 15.6058 17.2684 17.2684 17.5240 17.5240 k = 0.5000 0.0604 0.5269 ( 1400 PWs) bands (ev): -6.5280 -6.5280 3.1485 3.1485 3.7740 3.7740 4.4732 4.4732 7.8189 7.8189 7.8574 7.8574 8.0923 8.0923 8.2749 8.2749 8.3483 8.3483 13.0117 13.0117 15.5089 15.5089 17.3039 17.3039 17.5679 17.5679 k = 0.5000 0.0671 0.5174 ( 1400 PWs) bands (ev): -6.5341 -6.5341 3.0870 3.0870 3.8019 3.8019 4.5206 4.5206 7.8186 7.8186 7.8572 7.8572 8.0933 8.0933 8.2947 8.2947 8.3854 8.3854 13.0288 13.0288 15.4101 15.4101 17.3418 17.3418 17.6028 17.6028 k = 0.5000 0.0738 0.5079 ( 1398 PWs) bands (ev): -6.5408 -6.5408 3.0251 3.0251 3.8332 3.8332 4.5661 4.5661 7.8184 7.8184 7.8578 7.8578 8.0943 8.0943 8.3166 8.3166 8.4255 8.4255 13.0482 13.0482 15.3099 15.3099 17.3814 17.3814 17.6265 17.6265 k = 0.5000 0.0806 0.4984 ( 1398 PWs) bands (ev): -6.5479 -6.5479 2.9631 2.9631 3.8674 3.8674 4.6095 4.6095 7.8184 7.8184 7.8591 7.8591 8.0952 8.0952 8.3406 8.3406 8.4683 8.4683 13.0701 13.0701 15.2089 15.2089 17.4216 17.4216 17.6380 17.6380 k = 0.5000 0.0873 0.4889 ( 1402 PWs) bands (ev): -6.5554 -6.5554 2.9014 2.9014 3.9044 3.9044 4.6505 4.6505 7.8187 7.8187 7.8610 7.8610 8.0959 8.0959 8.3665 8.3665 8.5136 8.5136 13.0947 13.0947 15.1074 15.1074 17.4595 17.4595 17.6380 17.6380 k = 0.5000 0.0940 0.4795 ( 1402 PWs) bands (ev): -6.5633 -6.5633 2.8404 2.8404 3.9438 3.9438 4.6891 4.6891 7.8192 7.8192 7.8636 7.8636 8.0967 8.0967 8.3945 8.3945 8.5613 8.5613 13.1220 13.1220 15.0055 15.0055 17.4869 17.4869 17.6334 17.6334 k = 0.5000 0.1007 0.4700 ( 1402 PWs) bands (ev): -6.5715 -6.5715 2.7802 2.7802 3.9854 3.9854 4.7252 4.7252 7.8200 7.8200 7.8667 7.8667 8.0976 8.0976 8.4245 8.4245 8.6112 8.6112 13.1523 13.1523 14.9034 14.9034 17.4858 17.4858 17.6413 17.6413 k = 0.5000 0.1074 0.4605 ( 1400 PWs) bands (ev): -6.5800 -6.5800 2.7211 2.7211 4.0289 4.0289 4.7588 4.7588 7.8212 7.8212 7.8703 7.8703 8.0985 8.0985 8.4566 8.4566 8.6630 8.6630 13.1858 13.1858 14.8012 14.8012 17.4462 17.4462 17.6714 17.6714 k = 0.5000 0.1141 0.4510 ( 1400 PWs) bands (ev): -6.5887 -6.5887 2.6633 2.6633 4.0740 4.0740 4.7898 4.7898 7.8226 7.8226 7.8742 7.8742 8.0994 8.0994 8.4907 8.4907 8.7165 8.7165 13.2227 13.2227 14.6989 14.6989 17.3785 17.3785 17.7136 17.7136 k = 0.5000 0.1208 0.4415 ( 1398 PWs) bands (ev): -6.5976 -6.5976 2.6068 2.6068 4.1205 4.1205 4.8184 4.8184 7.8245 7.8245 7.8783 7.8783 8.1005 8.1005 8.5269 8.5269 8.7713 8.7713 13.2631 13.2631 14.5966 14.5966 17.2914 17.2914 17.7604 17.7604 k = 0.5000 0.1276 0.4320 ( 1396 PWs) bands (ev): -6.6066 -6.6066 2.5519 2.5519 4.1681 4.1681 4.8445 4.8445 7.8267 7.8267 7.8826 7.8826 8.1018 8.1018 8.5652 8.5652 8.8272 8.8272 13.3071 13.3071 14.4942 14.4942 17.1898 17.1898 17.8081 17.8081 k = 0.5000 0.1343 0.4225 ( 1396 PWs) bands (ev): -6.6158 -6.6158 2.4986 2.4986 4.2165 4.2165 4.8684 4.8684 7.8292 7.8292 7.8868 7.8868 8.1032 8.1032 8.6056 8.6056 8.8839 8.8839 13.3550 13.3550 14.3917 14.3917 17.0769 17.0769 17.8548 17.8548 k = 0.5000 0.1410 0.4130 ( 1396 PWs) bands (ev): -6.6249 -6.6249 2.4470 2.4470 4.2655 4.2655 4.8900 4.8900 7.8320 7.8320 7.8911 7.8911 8.1047 8.1047 8.6481 8.6481 8.9410 8.9410 13.4069 13.4069 14.2890 14.2890 16.9556 16.9556 17.8990 17.8990 k = 0.5000 0.1477 0.4035 ( 1394 PWs) bands (ev): -6.6340 -6.6340 2.3972 2.3972 4.3147 4.3147 4.9097 4.9097 7.8352 7.8352 7.8953 7.8953 8.1066 8.1066 8.6927 8.6927 8.9982 8.9982 13.4628 13.4628 14.1862 14.1862 16.8285 16.8285 17.9392 17.9392 k = 0.5000 0.1544 0.3940 ( 1394 PWs) bands (ev): -6.6431 -6.6431 2.3493 2.3493 4.3638 4.3638 4.9274 4.9274 7.8386 7.8386 7.8992 7.8992 8.1085 8.1085 8.7396 8.7396 9.0551 9.0551 13.5226 13.5226 14.0833 14.0833 16.6979 16.6979 17.9742 17.9742 k = 0.5000 0.1611 0.3845 ( 1394 PWs) bands (ev): -6.6521 -6.6521 2.3034 2.3034 4.4125 4.4125 4.9434 4.9434 7.8422 7.8422 7.9030 7.9030 8.1106 8.1106 8.7886 8.7886 9.1113 9.1113 13.5860 13.5860 13.9809 13.9809 16.5657 16.5657 18.0025 18.0025 k = 0.5000 0.1678 0.3750 ( 1396 PWs) bands (ev): -6.6609 -6.6609 2.2595 2.2595 4.4605 4.4605 4.9579 4.9579 7.8461 7.8461 7.9065 7.9065 8.1129 8.1129 8.8398 8.8398 9.1665 9.1665 13.6507 13.6507 13.8811 13.8811 16.4338 16.4338 18.0224 18.0224 k = 0.5000 0.1745 0.3655 ( 1400 PWs) bands (ev): -6.6695 -6.6695 2.2177 2.2177 4.5075 4.5075 4.9709 4.9709 7.8500 7.8500 7.9098 7.9098 8.1154 8.1154 8.8930 8.8930 9.2205 9.2205 13.6973 13.6973 13.8032 13.8032 16.3040 16.3040 18.0327 18.0327 k = 0.5000 0.1813 0.3560 ( 1400 PWs) bands (ev): -6.6778 -6.6778 2.1780 2.1780 4.5531 4.5531 4.9828 4.9828 7.8542 7.8542 7.9128 7.9128 8.1179 8.1179 8.9482 8.9482 9.2728 9.2728 13.6421 13.6421 13.8312 13.8312 16.1774 16.1774 18.0319 18.0319 k = 0.5000 0.1880 0.3465 ( 1400 PWs) bands (ev): -6.6859 -6.6859 2.1405 2.1405 4.5970 4.5970 4.9936 4.9936 7.8583 7.8583 7.9156 7.9156 8.1206 8.1206 9.0052 9.0052 9.3232 9.3232 13.5433 13.5433 13.9068 13.9068 16.0554 16.0554 18.0189 18.0189 k = 0.5000 0.1947 0.3370 ( 1400 PWs) bands (ev): -6.6937 -6.6937 2.1053 2.1053 4.6389 4.6389 5.0036 5.0036 7.8625 7.8625 7.9181 7.9181 8.1233 8.1233 9.0639 9.0639 9.3714 9.3714 13.4392 13.4392 13.9918 13.9918 15.9390 15.9390 17.9930 17.9930 k = 0.5000 0.2014 0.3275 ( 1398 PWs) bands (ev): -6.7010 -6.7010 2.0723 2.0723 4.6784 4.6784 5.0131 5.0131 7.8666 7.8666 7.9205 7.9205 8.1261 8.1261 9.1238 9.1238 9.4173 9.4173 13.3340 13.3340 14.0820 14.0820 15.8290 15.8290 17.9539 17.9539 k = 0.5000 0.2081 0.3181 ( 1400 PWs) bands (ev): -6.7080 -6.7080 2.0416 2.0416 4.7153 4.7153 5.0221 5.0221 7.8705 7.8705 7.9226 7.9226 8.1288 8.1288 9.1847 9.1847 9.4605 9.4605 13.2289 13.2289 14.1763 14.1763 15.7259 15.7259 17.9018 17.9018 k = 0.5000 0.2148 0.3086 ( 1400 PWs) bands (ev): -6.7146 -6.7146 2.0133 2.0133 4.7491 4.7491 5.0308 5.0308 7.8743 7.8743 7.9246 7.9246 8.1315 8.1315 9.2460 9.2460 9.5010 9.5010 13.1249 13.1249 14.2738 14.2738 15.6306 15.6306 17.8376 17.8376 k = 0.5000 0.2215 0.2991 ( 1394 PWs) bands (ev): -6.7206 -6.7206 1.9874 1.9874 4.7798 4.7798 5.0395 5.0395 7.8779 7.8779 7.9264 7.9264 8.1342 8.1342 9.3072 9.3072 9.5386 9.5386 13.0230 13.0230 14.3737 14.3737 15.5432 15.5432 17.7627 17.7627 k = 0.5000 0.2283 0.2896 ( 1396 PWs) bands (ev): -6.7262 -6.7262 1.9638 1.9638 4.8070 4.8070 5.0482 5.0482 7.8811 7.8811 7.9281 7.9281 8.1367 8.1367 9.3674 9.3674 9.5734 9.5734 12.9240 12.9240 14.4752 14.4752 15.4640 15.4640 17.6789 17.6789 k = 0.5000 0.2350 0.2801 ( 1392 PWs) bands (ev): -6.7313 -6.7313 1.9427 1.9427 4.8307 4.8307 5.0569 5.0569 7.8841 7.8841 7.9297 7.9297 8.1390 8.1390 9.4257 9.4257 9.6053 9.6053 12.8293 12.8293 14.5769 14.5769 15.3933 15.3933 17.5887 17.5887 k = 0.5000 0.2417 0.2706 ( 1396 PWs) bands (ev): -6.7358 -6.7358 1.9240 1.9240 4.8507 4.8507 5.0656 5.0656 7.8867 7.8867 7.9311 7.9311 8.1411 8.1411 9.4807 9.4807 9.6345 9.6345 12.7400 12.7400 14.6772 14.6772 15.3312 15.3312 17.4947 17.4947 k = 0.5000 0.2484 0.2611 ( 1398 PWs) bands (ev): -6.7398 -6.7398 1.9077 1.9077 4.8673 4.8673 5.0740 5.0740 7.8889 7.8889 7.9324 7.9324 8.1430 8.1430 9.5311 9.5311 9.6613 9.6613 12.6579 12.6579 14.7742 14.7742 15.2778 15.2778 17.4001 17.4001 k = 0.5000 0.2551 0.2516 ( 1392 PWs) bands (ev): -6.7432 -6.7432 1.8940 1.8940 4.8807 4.8807 5.0820 5.0820 7.8909 7.8909 7.9336 7.9336 8.1447 8.1447 9.5753 9.5753 9.6860 9.6860 12.5843 12.5843 14.8652 14.8652 15.2335 15.2335 17.3085 17.3085 k = 0.5000 0.2618 0.2421 ( 1392 PWs) bands (ev): -6.7460 -6.7460 1.8827 1.8827 4.8911 4.8911 5.0891 5.0891 7.8924 7.8924 7.9346 7.9346 8.1460 8.1460 9.6114 9.6114 9.7089 9.7089 12.5210 12.5210 14.9466 14.9466 15.1986 15.1986 17.2240 17.2240 k = 0.5000 0.2685 0.2326 ( 1394 PWs) bands (ev): -6.7481 -6.7481 1.8739 1.8739 4.8987 4.8987 5.0951 5.0951 7.8936 7.8936 7.9354 7.9354 8.1471 8.1471 9.6386 9.6386 9.7294 9.7294 12.4697 12.4697 15.0134 15.0134 15.1745 15.1745 17.1509 17.1509 k = 0.5000 0.2752 0.2231 ( 1394 PWs) bands (ev): -6.7497 -6.7497 1.8676 1.8676 4.9040 4.9040 5.0996 5.0996 7.8944 7.8944 7.9359 7.9359 8.1479 8.1479 9.6570 9.6570 9.7463 9.7463 12.4317 12.4317 15.0589 15.0589 15.1636 15.1636 17.0941 17.0941 k = 0.5000 0.2820 0.2136 ( 1402 PWs) bands (ev): -6.7507 -6.7507 1.8638 1.8638 4.9071 4.9071 5.1023 5.1023 7.8948 7.8948 7.9362 7.9362 8.1482 8.1482 9.6674 9.6674 9.7574 9.7574 12.4084 12.4084 15.0795 15.0795 15.1658 15.1658 17.0578 17.0578 k = 0.5000 0.2887 0.2041 ( 1404 PWs) bands (ev): -6.7510 -6.7510 1.8626 1.8626 4.9081 4.9081 5.1033 5.1033 7.8949 7.8949 7.9363 7.9363 8.1484 8.1484 9.6708 9.6708 9.7613 9.7613 12.4005 12.4005 15.0839 15.0839 15.1694 15.1694 17.0453 17.0453 k = 0.5000 0.2887 0.2041 ( 1404 PWs) bands (ev): -6.7510 -6.7510 1.8626 1.8626 4.9081 4.9081 5.1033 5.1033 7.8949 7.8949 7.9363 7.9363 8.1484 8.1484 9.6708 9.6708 9.7613 9.7613 12.4005 12.4005 15.0839 15.0839 15.1694 15.1694 17.0453 17.0453 k = 0.4967 0.2868 0.2149 ( 1400 PWs) bands (ev): -6.7507 -6.7507 1.8638 1.8638 4.9071 4.9071 5.1024 5.1024 7.8948 7.8948 7.9363 7.9363 8.1483 8.1483 9.6675 9.6675 9.7576 9.7576 12.4081 12.4081 15.0797 15.0797 15.1660 15.1660 17.0573 17.0573 k = 0.4934 0.2849 0.2256 ( 1396 PWs) bands (ev): -6.7498 -6.7498 1.8674 1.8674 4.9042 4.9042 5.0997 5.0997 7.8944 7.8944 7.9359 7.9359 8.1479 8.1479 9.6575 9.6575 9.7469 9.7469 12.4305 12.4305 15.0602 15.0602 15.1635 15.1635 17.0922 17.0922 k = 0.4901 0.2830 0.2364 ( 1396 PWs) bands (ev): -6.7483 -6.7483 1.8734 1.8734 4.8991 4.8991 5.0954 5.0954 7.8936 7.8936 7.9354 7.9354 8.1471 8.1471 9.6399 9.6399 9.7306 9.7306 12.4670 12.4670 15.0169 15.0169 15.1732 15.1732 17.1470 17.1470 k = 0.4868 0.2811 0.2471 ( 1396 PWs) bands (ev): -6.7462 -6.7462 1.8819 1.8819 4.8917 4.8917 5.0896 5.0896 7.8925 7.8925 7.9346 7.9346 8.1461 8.1461 9.6138 9.6138 9.7108 9.7108 12.5163 12.5163 14.9532 14.9532 15.1956 15.1956 17.2177 17.2177 k = 0.4836 0.2792 0.2578 ( 1396 PWs) bands (ev): -6.7435 -6.7435 1.8927 1.8927 4.8818 4.8818 5.0828 5.0828 7.8910 7.8910 7.9337 7.9337 8.1447 8.1447 9.5788 9.5788 9.6890 9.6890 12.5771 12.5771 14.8756 14.8756 15.2281 15.2281 17.2997 17.2997 k = 0.4803 0.2773 0.2686 ( 1396 PWs) bands (ev): -6.7402 -6.7402 1.9059 1.9059 4.8690 4.8690 5.0752 5.0752 7.8892 7.8892 7.9326 7.9326 8.1432 8.1432 9.5356 9.5356 9.6658 9.6658 12.6474 12.6474 14.7894 14.7894 15.2689 15.2689 17.3890 17.3890 k = 0.4770 0.2754 0.2793 ( 1396 PWs) bands (ev): -6.7364 -6.7364 1.9215 1.9215 4.8529 4.8529 5.0671 5.0671 7.8870 7.8870 7.9313 7.9313 8.1414 8.1414 9.4859 9.4859 9.6412 9.6412 12.7251 12.7251 14.6989 14.6989 15.3175 15.3175 17.4817 17.4817 k = 0.4737 0.2735 0.2901 ( 1402 PWs) bands (ev): -6.7321 -6.7321 1.9395 1.9395 4.8334 4.8334 5.0590 5.0590 7.8843 7.8843 7.9300 7.9300 8.1393 8.1393 9.4311 9.4311 9.6149 9.6149 12.8079 12.8079 14.6076 14.6076 15.3732 15.3732 17.5744 17.5744 k = 0.4704 0.2716 0.3008 ( 1400 PWs) bands (ev): -6.7272 -6.7272 1.9598 1.9598 4.8102 4.8102 5.0512 5.0512 7.8814 7.8814 7.9286 7.9286 8.1371 8.1371 9.3726 9.3726 9.5869 9.5869 12.8929 12.8929 14.5192 14.5192 15.4358 15.4358 17.6641 17.6641 k = 0.4671 0.2697 0.3116 ( 1400 PWs) bands (ev): -6.7218 -6.7218 1.9824 1.9824 4.7832 4.7832 5.0438 5.0438 7.8780 7.8780 7.9272 7.9272 8.1347 8.1347 9.3116 9.3116 9.5572 9.5572 12.9763 12.9763 14.4378 14.4378 15.5048 15.5048 17.7484 17.7484 k = 0.4638 0.2678 0.3223 ( 1396 PWs) bands (ev): -6.7159 -6.7159 2.0074 2.0074 4.7524 4.7524 5.0369 5.0369 7.8742 7.8742 7.9258 7.9258 8.1322 8.1322 9.2491 9.2491 9.5257 9.5257 13.0536 13.0536 14.3680 14.3680 15.5801 15.5801 17.8249 17.8249 k = 0.4605 0.2659 0.3330 ( 1402 PWs) bands (ev): -6.7096 -6.7096 2.0346 2.0346 4.7180 4.7180 5.0305 5.0305 7.8699 7.8699 7.9243 7.9243 8.1295 8.1295 9.1858 9.1858 9.4926 9.4926 13.1186 13.1186 14.3158 14.3158 15.6611 15.6611 17.8920 17.8920 k = 0.4572 0.2640 0.3438 ( 1400 PWs) bands (ev): -6.7029 -6.7029 2.0641 2.0641 4.6800 4.6800 5.0246 5.0246 7.8653 7.8653 7.9229 7.9229 8.1268 8.1268 9.1226 9.1226 9.4580 9.4580 13.1646 13.1646 14.2881 14.2881 15.7475 15.7475 17.9483 17.9483 k = 0.4539 0.2621 0.3545 ( 1400 PWs) bands (ev): -6.6958 -6.6958 2.0958 2.0958 4.6388 4.6388 5.0192 5.0192 7.8603 7.8603 7.9214 7.9214 8.1241 8.1241 9.0598 9.0598 9.4221 9.4221 13.1856 13.1856 14.2904 14.2904 15.8391 15.8391 17.9930 17.9930 k = 0.4507 0.2602 0.3653 ( 1400 PWs) bands (ev): -6.6883 -6.6883 2.1297 2.1297 4.5944 4.5944 5.0142 5.0142 7.8549 7.8549 7.9200 7.9200 8.1215 8.1215 8.9979 8.9979 9.3851 9.3851 13.1791 13.1791 14.3248 14.3248 15.9354 15.9354 18.0260 18.0260 k = 0.4474 0.2583 0.3760 ( 1396 PWs) bands (ev): -6.6806 -6.6806 2.1658 2.1658 4.5472 4.5472 5.0096 5.0096 7.8491 7.8491 7.9186 7.9186 8.1190 8.1190 8.9374 8.9374 9.3471 9.3471 13.1477 13.1477 14.3885 14.3885 16.0361 16.0361 18.0474 18.0474 k = 0.4441 0.2564 0.3868 ( 1396 PWs) bands (ev): -6.6725 -6.6725 2.2040 2.2040 4.4974 4.4974 5.0053 5.0053 7.8428 7.8428 7.9172 7.9172 8.1165 8.1165 8.8784 8.8784 9.3083 9.3083 13.0965 13.0965 14.4756 14.4756 16.1409 16.1409 18.0582 18.0582 k = 0.4408 0.2545 0.3975 ( 1390 PWs) bands (ev): -6.6642 -6.6642 2.2442 2.2442 4.4453 4.4453 5.0013 5.0013 7.8362 7.8362 7.9159 7.9159 8.1143 8.1143 8.8215 8.8215 9.2689 9.2689 13.0316 13.0316 14.5798 14.5798 16.2494 16.2494 18.0595 18.0595 k = 0.4375 0.2526 0.4082 ( 1394 PWs) bands (ev): -6.6558 -6.6558 2.2865 2.2865 4.3911 4.3911 4.9976 4.9976 7.8291 7.8291 7.9145 7.9145 8.1123 8.1123 8.7665 8.7665 9.2289 9.2289 12.9576 12.9576 14.6956 14.6956 16.3612 16.3612 18.0528 18.0528 k = 0.4342 0.2507 0.4190 ( 1390 PWs) bands (ev): -6.6471 -6.6471 2.3308 2.3308 4.3351 4.3351 4.9941 4.9941 7.8214 7.8214 7.9133 7.9133 8.1105 8.1105 8.7139 8.7139 9.1886 9.1886 12.8779 12.8779 14.8188 14.8188 16.4761 16.4761 18.0398 18.0398 k = 0.4309 0.2488 0.4297 ( 1392 PWs) bands (ev): -6.6384 -6.6384 2.3769 2.3769 4.2775 4.2775 4.9908 4.9908 7.8132 7.8132 7.9120 7.9120 8.1091 8.1091 8.6636 8.6636 9.1481 9.1481 12.7949 12.7949 14.9461 14.9461 16.5935 16.5935 18.0224 18.0224 k = 0.4276 0.2469 0.4405 ( 1392 PWs) bands (ev): -6.6297 -6.6297 2.4249 2.4249 4.2187 4.2187 4.9878 4.9878 7.8045 7.8045 7.9109 7.9109 8.1079 8.1079 8.6158 8.6158 9.1075 9.1075 12.7102 12.7102 15.0748 15.0748 16.7131 16.7131 18.0027 18.0027 k = 0.4243 0.2450 0.4512 ( 1394 PWs) bands (ev): -6.6209 -6.6209 2.4747 2.4747 4.1589 4.1589 4.9850 4.9850 7.7951 7.7951 7.9098 7.9098 8.1072 8.1072 8.5706 8.5706 9.0669 9.0669 12.6248 12.6248 15.2027 15.2027 16.8345 16.8345 17.9828 17.9828 k = 0.4211 0.2431 0.4620 ( 1396 PWs) bands (ev): -6.6122 -6.6122 2.5262 2.5262 4.0984 4.0984 4.9824 4.9824 7.7852 7.7852 7.9089 7.9089 8.1069 8.1069 8.5281 8.5281 9.0264 9.0264 12.5396 12.5396 15.3275 15.3275 16.9573 16.9573 17.9647 17.9647 k = 0.4178 0.2412 0.4727 ( 1396 PWs) bands (ev): -6.6037 -6.6037 2.5793 2.5793 4.0376 4.0376 4.9802 4.9802 7.7746 7.7746 7.9080 7.9080 8.1070 8.1070 8.4883 8.4883 8.9861 8.9861 12.4550 12.4550 15.4469 15.4469 17.0810 17.0810 17.9510 17.9510 k = 0.4145 0.2393 0.4835 ( 1400 PWs) bands (ev): -6.5953 -6.5953 2.6338 2.6338 3.9766 3.9766 4.9782 4.9782 7.7634 7.7634 7.9073 7.9073 8.1075 8.1075 8.4513 8.4513 8.9461 8.9461 12.3714 12.3714 15.5588 15.5588 17.2051 17.2051 17.9438 17.9438 k = 0.4112 0.2374 0.4942 ( 1400 PWs) bands (ev): -6.5871 -6.5871 2.6897 2.6897 3.9159 3.9159 4.9765 4.9765 7.7516 7.7516 7.9068 7.9068 8.1085 8.1085 8.4171 8.4171 8.9064 8.9064 12.2891 12.2891 15.6611 15.6611 17.3292 17.3292 17.9453 17.9453 k = 0.4079 0.2355 0.5049 ( 1399 PWs) bands (ev): -6.5793 -6.5793 2.7467 2.7467 3.8558 3.8558 4.9751 4.9751 7.7392 7.7392 7.9065 7.9065 8.1100 8.1100 8.3858 8.3858 8.8672 8.8672 12.2082 12.2082 15.7515 15.7515 17.4527 17.4527 17.9576 17.9576 k = 0.4046 0.2336 0.5157 ( 1399 PWs) bands (ev): -6.5718 -6.5718 2.8046 2.8046 3.7967 3.7967 4.9741 4.9741 7.7262 7.7262 7.9064 7.9064 8.1118 8.1118 8.3574 8.3574 8.8284 8.8284 12.1288 12.1288 15.8285 15.8285 17.5751 17.5751 17.9823 17.9823 k = 0.4013 0.2317 0.5264 ( 1399 PWs) bands (ev): -6.5647 -6.5647 2.8632 2.8632 3.7390 3.7390 4.9734 4.9734 7.7127 7.7127 7.9064 7.9064 8.1139 8.1139 8.3318 8.3318 8.7901 8.7901 12.0512 12.0512 15.8908 15.8908 17.6956 17.6956 18.0204 18.0204 k = 0.3980 0.2298 0.5372 ( 1399 PWs) bands (ev): -6.5581 -6.5581 2.9219 2.9219 3.6834 3.6834 4.9732 4.9732 7.6986 7.6986 7.9067 7.9067 8.1163 8.1163 8.3092 8.3092 8.7524 8.7524 11.9752 11.9752 15.9379 15.9379 17.8135 17.8135 18.0720 18.0720 k = 0.3947 0.2279 0.5479 ( 1395 PWs) bands (ev): -6.5520 -6.5520 2.9801 2.9801 3.6308 3.6308 4.9734 4.9734 7.6842 7.6842 7.9071 7.9071 8.1188 8.1188 8.2896 8.2896 8.7153 8.7153 11.9011 11.9011 15.9703 15.9703 17.9280 17.9280 18.1362 18.1362 k = 0.3914 0.2260 0.5587 ( 1396 PWs) bands (ev): -6.5466 -6.5466 3.0367 3.0367 3.5823 3.5823 4.9740 4.9740 7.6694 7.6694 7.9078 7.9078 8.1212 8.1212 8.2731 8.2731 8.6789 8.6789 11.8287 11.8287 15.9889 15.9889 18.0387 18.0387 18.2108 18.2108 k = 0.3882 0.2241 0.5694 ( 1398 PWs) bands (ev): -6.5417 -6.5417 3.0895 3.0895 3.5402 3.5402 4.9752 4.9752 7.6543 7.6543 7.9086 7.9086 8.1234 8.1234 8.2597 8.2597 8.6433 8.6433 11.7583 11.7583 15.9954 15.9954 18.1450 18.1450 18.2931 18.2931 k = 0.3849 0.2222 0.5801 ( 1396 PWs) bands (ev): -6.5377 -6.5377 3.1349 3.1349 3.5082 3.5082 4.9769 4.9769 7.6391 7.6391 7.9097 7.9097 8.1250 8.1250 8.2498 8.2498 8.6084 8.6084 11.6898 11.6898 15.9916 15.9916 18.2465 18.2465 18.3794 18.3794 k = 0.3816 0.2203 0.5909 ( 1400 PWs) bands (ev): -6.5344 -6.5344 3.1670 3.1670 3.4923 3.4923 4.9791 4.9791 7.6237 7.6237 7.9110 7.9110 8.1258 8.1258 8.2432 8.2432 8.5743 8.5743 11.6232 11.6232 15.9795 15.9795 18.3428 18.3428 18.4658 18.4658 k = 0.3783 0.2184 0.6016 ( 1393 PWs) bands (ev): -6.5319 -6.5319 3.1797 3.1797 3.4986 3.4986 4.9820 4.9820 7.6084 7.6084 7.9126 7.9126 8.1258 8.1258 8.2403 8.2403 8.5411 8.5411 11.5587 11.5587 15.9609 15.9609 18.4329 18.4329 18.5494 18.5494 k = 0.3750 0.2165 0.6124 ( 1392 PWs) bands (ev): -6.5303 -6.5303 3.1728 3.1728 3.5276 3.5276 4.9855 4.9855 7.5930 7.5930 7.9143 7.9143 8.1247 8.1247 8.2407 8.2407 8.5088 8.5088 11.4962 11.4962 15.9373 15.9373 18.5148 18.5148 18.6279 18.6279 k = 0.6250-0.0722 0.4082 ( 1392 PWs) bands (ev): -6.5303 -6.5303 3.1728 3.1728 3.5276 3.5276 4.9855 4.9855 7.5930 7.5930 7.9143 7.9143 8.1247 8.1247 8.2407 8.2407 8.5088 8.5088 11.4962 11.4962 15.9373 15.9373 18.5148 18.5148 18.6279 18.6279 k = 0.6193-0.0820 0.4082 ( 1394 PWs) bands (ev): -6.5286 -6.5286 3.1449 3.1449 3.5984 3.5984 4.9924 4.9924 7.5662 7.5662 7.9173 7.9173 8.1219 8.1219 8.2442 8.2442 8.4546 8.4546 11.3897 11.3897 15.8903 15.8903 18.6432 18.6432 18.7645 18.7645 k = 0.6136-0.0919 0.4082 ( 1396 PWs) bands (ev): -6.5276 -6.5276 3.1149 3.1149 3.6757 3.6757 4.9999 4.9999 7.5391 7.5391 7.9200 7.9200 8.1186 8.1186 8.2475 8.2475 8.4022 8.4022 11.2823 11.2823 15.8392 15.8392 18.7635 18.7635 18.9115 18.9115 k = 0.6080-0.1017 0.4082 ( 1388 PWs) bands (ev): -6.5270 -6.5270 3.0846 3.0846 3.7574 3.7574 5.0081 5.0081 7.5117 7.5117 7.9225 7.9225 8.1145 8.1145 8.2508 8.2508 8.3523 8.3523 11.1741 11.1741 15.7850 15.7850 18.8786 18.8786 19.0656 19.0656 k = 0.6023-0.1115 0.4082 ( 1384 PWs) bands (ev): -6.5270 -6.5270 3.0547 3.0547 3.8423 3.8423 5.0168 5.0168 7.4840 7.4840 7.9247 7.9247 8.1091 8.1091 8.2538 8.2538 8.3052 8.3052 11.0655 11.0655 15.7289 15.7289 18.9905 18.9905 19.2239 19.2239 k = 0.5966-0.1214 0.4082 ( 1384 PWs) bands (ev): -6.5273 -6.5273 3.0258 3.0258 3.9297 3.9297 5.0260 5.0260 7.4562 7.4562 7.9266 7.9266 8.1014 8.1014 8.2550 8.2550 8.2638 8.2638 10.9569 10.9569 15.6718 15.6718 19.1000 19.1000 19.3848 19.3848 k = 0.5909-0.1312 0.4082 ( 1388 PWs) bands (ev): -6.5280 -6.5280 2.9980 2.9980 4.0188 4.0188 5.0358 5.0358 7.4281 7.4281 7.9282 7.9282 8.0898 8.0898 8.2238 8.2238 8.2604 8.2604 10.8485 10.8485 15.6149 15.6149 19.2074 19.2074 19.5472 19.5472 k = 0.5852-0.1411 0.4082 ( 1392 PWs) bands (ev): -6.5289 -6.5289 2.9716 2.9716 4.1089 4.1089 5.0459 5.0459 7.4000 7.4000 7.9296 7.9296 8.0724 8.0724 8.1944 8.1944 8.2629 8.2629 10.7410 10.7410 15.5590 15.5590 19.3125 19.3125 19.7104 19.7104 k = 0.5795-0.1509 0.4082 ( 1392 PWs) bands (ev): -6.5301 -6.5301 2.9466 2.9466 4.1993 4.1993 5.0566 5.0566 7.3717 7.3717 7.9308 7.9308 8.0484 8.0484 8.1739 8.1739 8.2653 8.2653 10.6349 10.6349 15.5047 15.5047 19.4152 19.4152 19.8738 19.8738 k = 0.5739-0.1607 0.4082 ( 1384 PWs) bands (ev): -6.5315 -6.5315 2.9232 2.9232 4.2894 4.2894 5.0678 5.0678 7.3436 7.3436 7.9317 7.9317 8.0193 8.0193 8.1609 8.1609 8.2676 8.2676 10.5309 10.5309 15.4527 15.4527 19.5150 19.5150 20.0366 20.0366 k = 0.5682-0.1706 0.4082 ( 1384 PWs) bands (ev): -6.5329 -6.5329 2.9014 2.9014 4.3782 4.3782 5.0796 5.0796 7.3153 7.3153 7.9323 7.9323 7.9880 7.9880 8.1526 8.1526 8.2696 8.2696 10.4297 10.4297 15.4035 15.4035 19.6113 19.6113 20.1977 20.1977 k = 0.5625-0.1804 0.4082 ( 1384 PWs) bands (ev): -6.5345 -6.5345 2.8812 2.8812 4.4648 4.4648 5.0921 5.0921 7.2871 7.2871 7.9319 7.9319 7.9572 7.9572 8.1472 8.1472 8.2714 8.2714 10.3320 10.3320 15.3573 15.3573 19.7037 19.7037 20.3564 20.3564 k = 0.5568-0.1903 0.4082 ( 1384 PWs) bands (ev): -6.5360 -6.5360 2.8626 2.8626 4.5481 4.5481 5.1054 5.1054 7.2592 7.2592 7.9213 7.9213 7.9376 7.9376 8.1436 8.1436 8.2729 8.2729 10.2386 10.2386 15.3145 15.3145 19.7914 19.7914 20.5113 20.5113 k = 0.5511-0.2001 0.4082 ( 1384 PWs) bands (ev): -6.5376 -6.5376 2.8458 2.8458 4.6268 4.6268 5.1199 5.1199 7.2317 7.2317 7.8946 7.8946 7.9357 7.9357 8.1409 8.1409 8.2743 8.2743 10.1505 10.1505 15.2754 15.2754 19.8738 19.8738 20.6610 20.6610 k = 0.5455-0.2099 0.4082 ( 1384 PWs) bands (ev): -6.5391 -6.5391 2.8307 2.8307 4.6995 4.6995 5.1360 5.1360 7.2049 7.2049 7.8683 7.8683 7.9355 7.9355 8.1390 8.1390 8.2754 8.2754 10.0686 10.0686 15.2401 15.2401 19.9502 19.9502 20.8036 20.8036 k = 0.5398-0.2198 0.4082 ( 1384 PWs) bands (ev): -6.5405 -6.5405 2.8173 2.8173 4.7647 4.7647 5.1538 5.1538 7.1792 7.1792 7.8445 7.8445 7.9355 7.9355 8.1375 8.1375 8.2763 8.2763 9.9937 9.9937 15.2088 15.2088 20.0199 20.0199 20.9366 20.9366 k = 0.5341-0.2296 0.4082 ( 1384 PWs) bands (ev): -6.5418 -6.5418 2.8057 2.8057 4.8209 4.8209 5.1735 5.1735 7.1549 7.1549 7.8233 7.8233 7.9355 7.9355 8.1364 8.1364 8.2770 8.2770 9.9266 9.9266 15.1815 15.1815 20.0822 20.0822 21.0571 21.0571 k = 0.5284-0.2395 0.4082 ( 1384 PWs) bands (ev): -6.5429 -6.5429 2.7958 2.7958 4.8672 4.8672 5.1949 5.1949 7.1327 7.1327 7.8051 7.8051 7.9354 7.9354 8.1356 8.1356 8.2775 8.2775 9.8683 9.8683 15.1584 15.1584 20.1363 20.1363 21.1619 21.1619 k = 0.5227-0.2493 0.4082 ( 1376 PWs) bands (ev): -6.5439 -6.5439 2.7877 2.7877 4.9033 4.9033 5.2167 5.2167 7.1131 7.1131 7.7902 7.7902 7.9354 7.9354 8.1350 8.1350 8.2780 8.2780 9.8194 9.8194 15.1395 15.1395 20.1817 20.1817 21.2481 21.2481 k = 0.5170-0.2592 0.4082 ( 1372 PWs) bands (ev): -6.5446 -6.5446 2.7815 2.7815 4.9296 4.9296 5.2370 5.2370 7.0970 7.0970 7.7784 7.7784 7.9354 7.9354 8.1346 8.1346 8.2783 8.2783 9.7807 9.7807 15.1248 15.1248 20.2176 20.2176 21.3140 21.3140 k = 0.5114-0.2690 0.4082 ( 1372 PWs) bands (ev): -6.5452 -6.5452 2.7770 2.7770 4.9474 4.9474 5.2537 5.2537 7.0848 7.0848 7.7699 7.7699 7.9353 7.9353 8.1343 8.1343 8.2784 8.2784 9.7527 9.7527 15.1143 15.1143 20.2437 20.2437 21.3597 21.3597 k = 0.5057-0.2788 0.4082 ( 1368 PWs) bands (ev): -6.5455 -6.5455 2.7743 2.7743 4.9575 4.9575 5.2646 5.2646 7.0772 7.0772 7.7648 7.7648 7.9354 7.9354 8.1342 8.1342 8.2786 8.2786 9.7357 9.7357 15.1080 15.1080 20.2595 20.2595 21.3864 21.3864 k = 0.5000-0.2887 0.4082 ( 1362 PWs) bands (ev): -6.5456 -6.5456 2.7734 2.7734 4.9608 4.9608 5.2685 5.2685 7.0747 7.0747 7.7631 7.7631 7.9354 7.9354 8.1342 8.1342 8.2787 8.2787 9.7300 9.7300 15.1058 15.1058 20.2648 20.2648 21.3951 21.3951 Writing output data file CuBr.save init_run : 0.10s CPU 0.43s WALL ( 1 calls) electrons : 28.92s CPU 31.66s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.11s WALL ( 1 calls) potinit : 0.00s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 28.91s CPU 31.65s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.03s WALL ( 405 calls) cegterg : 26.34s CPU 27.12s WALL ( 417 calls) Called by sum_band: Called by *egterg: h_psi : 12.45s CPU 12.93s WALL ( 4915 calls) s_psi : 0.52s CPU 0.52s WALL ( 4915 calls) g_psi : 0.04s CPU 0.04s WALL ( 4093 calls) cdiaghg : 13.15s CPU 13.34s WALL ( 4498 calls) cegterg:over : 0.80s CPU 0.95s WALL ( 4093 calls) cegterg:upda : 0.58s CPU 0.64s WALL ( 4093 calls) cegterg:last : 0.32s CPU 0.37s WALL ( 1062 calls) cdiaghg:chol : 0.66s CPU 0.68s WALL ( 4498 calls) cdiaghg:inve : 0.28s CPU 0.32s WALL ( 4498 calls) cdiaghg:para : 0.78s CPU 0.81s WALL ( 8996 calls) Called by h_psi: h_psi:vloc : 11.29s CPU 11.73s WALL ( 4915 calls) h_psi:vnl : 1.14s CPU 1.18s WALL ( 4915 calls) add_vuspsi : 0.63s CPU 0.65s WALL ( 4915 calls) General routines calbec : 0.48s CPU 0.52s WALL ( 4915 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 10.50s CPU 11.04s WALL ( 344848 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.09s WALL ( 810 calls) Parallel routines fft_scatter : 6.66s CPU 6.94s WALL ( 344871 calls) PWSCF : 0m36.43s CPU 1m18.03s WALL This run was terminated on: 16: 4:12 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=