Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 20:37: 9 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: ./MgS.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P 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 35 21 6 844 394 66 Max 36 22 7 849 406 69 Sum 1285 769 241 30467 14361 2421 bravais-lattice index = 14 lattice parameter (alat) = 6.9528 a.u. unit-cell volume = 237.6693 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.952848 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 S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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 atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Mg 10.00 24.30500 Mg( 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= 403 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024814 k( 2) = ( 0.0081967 -0.0047324 0.0066926), wk = 0.0024814 k( 3) = ( 0.0163934 -0.0094648 0.0133852), wk = 0.0024814 k( 4) = ( 0.0245902 -0.0141971 0.0200778), wk = 0.0024814 k( 5) = ( 0.0327869 -0.0189295 0.0267704), wk = 0.0024814 k( 6) = ( 0.0409836 -0.0236619 0.0334630), wk = 0.0024814 k( 7) = ( 0.0491803 -0.0283943 0.0401556), wk = 0.0024814 k( 8) = ( 0.0573770 -0.0331267 0.0468482), wk = 0.0024814 k( 9) = ( 0.0655738 -0.0378590 0.0535408), wk = 0.0024814 k( 10) = ( 0.0737705 -0.0425914 0.0602334), wk = 0.0024814 k( 11) = ( 0.0819672 -0.0473238 0.0669259), wk = 0.0024814 k( 12) = ( 0.0901639 -0.0520562 0.0736185), wk = 0.0024814 k( 13) = ( 0.0983607 -0.0567886 0.0803111), wk = 0.0024814 k( 14) = ( 0.1065574 -0.0615209 0.0870037), wk = 0.0024814 k( 15) = ( 0.1147541 -0.0662533 0.0936963), wk = 0.0024814 k( 16) = ( 0.1229508 -0.0709857 0.1003889), wk = 0.0024814 k( 17) = ( 0.1311475 -0.0757181 0.1070815), wk = 0.0024814 k( 18) = ( 0.1393443 -0.0804504 0.1137741), wk = 0.0024814 k( 19) = ( 0.1475410 -0.0851828 0.1204667), wk = 0.0024814 k( 20) = ( 0.1557377 -0.0899152 0.1271593), wk = 0.0024814 k( 21) = ( 0.1639344 -0.0946476 0.1338519), wk = 0.0024814 k( 22) = ( 0.1721312 -0.0993800 0.1405445), wk = 0.0024814 k( 23) = ( 0.1803279 -0.1041123 0.1472371), wk = 0.0024814 k( 24) = ( 0.1885246 -0.1088447 0.1539297), wk = 0.0024814 k( 25) = ( 0.1967213 -0.1135771 0.1606223), wk = 0.0024814 k( 26) = ( 0.2049180 -0.1183095 0.1673149), wk = 0.0024814 k( 27) = ( 0.2131147 -0.1230419 0.1740075), wk = 0.0024814 k( 28) = ( 0.2213115 -0.1277742 0.1807001), wk = 0.0024814 k( 29) = ( 0.2295082 -0.1325066 0.1873927), wk = 0.0024814 k( 30) = ( 0.2377049 -0.1372390 0.1940853), wk = 0.0024814 k( 31) = ( 0.2459016 -0.1419714 0.2007778), wk = 0.0024814 k( 32) = ( 0.2540984 -0.1467038 0.2074704), wk = 0.0024814 k( 33) = ( 0.2622951 -0.1514361 0.2141630), wk = 0.0024814 k( 34) = ( 0.2704918 -0.1561685 0.2208556), wk = 0.0024814 k( 35) = ( 0.2786885 -0.1609009 0.2275482), wk = 0.0024814 k( 36) = ( 0.2868852 -0.1656333 0.2342408), wk = 0.0024814 k( 37) = ( 0.2950820 -0.1703657 0.2409334), wk = 0.0024814 k( 38) = ( 0.3032787 -0.1750980 0.2476260), wk = 0.0024814 k( 39) = ( 0.3114754 -0.1798304 0.2543186), wk = 0.0024814 k( 40) = ( 0.3196721 -0.1845628 0.2610112), wk = 0.0024814 k( 41) = ( 0.3278688 -0.1892952 0.2677038), wk = 0.0024814 k( 42) = ( 0.3360656 -0.1940275 0.2743964), wk = 0.0024814 k( 43) = ( 0.3442623 -0.1987599 0.2810890), wk = 0.0024814 k( 44) = ( 0.3524590 -0.2034923 0.2877816), wk = 0.0024814 k( 45) = ( 0.3606557 -0.2082247 0.2944742), wk = 0.0024814 k( 46) = ( 0.3688525 -0.2129571 0.3011668), wk = 0.0024814 k( 47) = ( 0.3770492 -0.2176894 0.3078594), wk = 0.0024814 k( 48) = ( 0.3852459 -0.2224218 0.3145520), wk = 0.0024814 k( 49) = ( 0.3934426 -0.2271542 0.3212446), wk = 0.0024814 k( 50) = ( 0.4016393 -0.2318866 0.3279371), wk = 0.0024814 k( 51) = ( 0.4098361 -0.2366190 0.3346297), wk = 0.0024814 k( 52) = ( 0.4180328 -0.2413513 0.3413223), wk = 0.0024814 k( 53) = ( 0.4262295 -0.2460837 0.3480149), wk = 0.0024814 k( 54) = ( 0.4344262 -0.2508161 0.3547075), wk = 0.0024814 k( 55) = ( 0.4426230 -0.2555485 0.3614001), wk = 0.0024814 k( 56) = ( 0.4508197 -0.2602809 0.3680927), wk = 0.0024814 k( 57) = ( 0.4590164 -0.2650132 0.3747853), wk = 0.0024814 k( 58) = ( 0.4672131 -0.2697456 0.3814779), wk = 0.0024814 k( 59) = ( 0.4754098 -0.2744780 0.3881705), wk = 0.0024814 k( 60) = ( 0.4836066 -0.2792104 0.3948631), wk = 0.0024814 k( 61) = ( 0.4918033 -0.2839428 0.4015557), wk = 0.0024814 k( 62) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0024814 k( 63) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0024814 k( 64) = ( 0.5000000 -0.2793630 0.4148329), wk = 0.0024814 k( 65) = ( 0.5000000 -0.2700509 0.4214176), wk = 0.0024814 k( 66) = ( 0.5000000 -0.2607388 0.4280022), wk = 0.0024814 k( 67) = ( 0.5000000 -0.2514267 0.4345869), wk = 0.0024814 k( 68) = ( 0.5000000 -0.2421146 0.4411715), wk = 0.0024814 k( 69) = ( 0.5000000 -0.2328025 0.4477562), wk = 0.0024814 k( 70) = ( 0.5000000 -0.2234904 0.4543408), wk = 0.0024814 k( 71) = ( 0.5000000 -0.2141783 0.4609255), wk = 0.0024814 k( 72) = ( 0.5000000 -0.2048662 0.4675101), wk = 0.0024814 k( 73) = ( 0.5000000 -0.1955541 0.4740948), wk = 0.0024814 k( 74) = ( 0.5000000 -0.1862420 0.4806794), wk = 0.0024814 k( 75) = ( 0.5000000 -0.1769299 0.4872641), wk = 0.0024814 k( 76) = ( 0.5000000 -0.1676178 0.4938487), wk = 0.0024814 k( 77) = ( 0.5000000 -0.1583057 0.5004334), wk = 0.0024814 k( 78) = ( 0.5000000 -0.1489936 0.5070180), wk = 0.0024814 k( 79) = ( 0.5000000 -0.1396815 0.5136027), wk = 0.0024814 k( 80) = ( 0.5000000 -0.1303694 0.5201873), wk = 0.0024814 k( 81) = ( 0.5000000 -0.1210573 0.5267720), wk = 0.0024814 k( 82) = ( 0.5000000 -0.1117452 0.5333566), wk = 0.0024814 k( 83) = ( 0.5000000 -0.1024331 0.5399413), wk = 0.0024814 k( 84) = ( 0.5000000 -0.0931210 0.5465259), wk = 0.0024814 k( 85) = ( 0.5000000 -0.0838089 0.5531106), wk = 0.0024814 k( 86) = ( 0.5000000 -0.0744968 0.5596952), wk = 0.0024814 k( 87) = ( 0.5000000 -0.0651847 0.5662799), wk = 0.0024814 k( 88) = ( 0.5000000 -0.0558726 0.5728645), wk = 0.0024814 k( 89) = ( 0.5000000 -0.0465605 0.5794492), wk = 0.0024814 k( 90) = ( 0.5000000 -0.0372484 0.5860338), wk = 0.0024814 k( 91) = ( 0.5000000 -0.0279363 0.5926185), wk = 0.0024814 k( 92) = ( 0.5000000 -0.0186242 0.5992031), wk = 0.0024814 k( 93) = ( 0.5000000 -0.0093121 0.6057878), wk = 0.0024814 k( 94) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0024814 k( 95) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0024814 k( 96) = ( 0.4943182 0.0098412 0.6123724), wk = 0.0024814 k( 97) = ( 0.4886364 0.0196824 0.6123724), wk = 0.0024814 k( 98) = ( 0.4829545 0.0295236 0.6123724), wk = 0.0024814 k( 99) = ( 0.4772727 0.0393648 0.6123724), wk = 0.0024814 k( 100) = ( 0.4715909 0.0492060 0.6123724), wk = 0.0024814 k( 101) = ( 0.4659091 0.0590472 0.6123724), wk = 0.0024814 k( 102) = ( 0.4602273 0.0688884 0.6123724), wk = 0.0024814 k( 103) = ( 0.4545455 0.0787296 0.6123724), wk = 0.0024814 k( 104) = ( 0.4488636 0.0885708 0.6123724), wk = 0.0024814 k( 105) = ( 0.4431818 0.0984120 0.6123724), wk = 0.0024814 k( 106) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0024814 k( 107) = ( 0.4318182 0.1180944 0.6123724), wk = 0.0024814 k( 108) = ( 0.4261364 0.1279356 0.6123724), wk = 0.0024814 k( 109) = ( 0.4204545 0.1377768 0.6123724), wk = 0.0024814 k( 110) = ( 0.4147727 0.1476180 0.6123724), wk = 0.0024814 k( 111) = ( 0.4090909 0.1574592 0.6123724), wk = 0.0024814 k( 112) = ( 0.4034091 0.1673004 0.6123724), wk = 0.0024814 k( 113) = ( 0.3977273 0.1771416 0.6123724), wk = 0.0024814 k( 114) = ( 0.3920455 0.1869828 0.6123724), wk = 0.0024814 k( 115) = ( 0.3863636 0.1968239 0.6123724), wk = 0.0024814 k( 116) = ( 0.3806818 0.2066652 0.6123724), wk = 0.0024814 k( 117) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0024814 k( 118) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0024814 k( 119) = ( 0.3692308 0.2131755 0.6029513), wk = 0.0024814 k( 120) = ( 0.3634615 0.2098446 0.5935302), wk = 0.0024814 k( 121) = ( 0.3576923 0.2065138 0.5841091), wk = 0.0024814 k( 122) = ( 0.3519231 0.2031829 0.5746880), wk = 0.0024814 k( 123) = ( 0.3461538 0.1998520 0.5652669), wk = 0.0024814 k( 124) = ( 0.3403846 0.1965212 0.5558457), wk = 0.0024814 k( 125) = ( 0.3346154 0.1931903 0.5464246), wk = 0.0024814 k( 126) = ( 0.3288462 0.1898594 0.5370035), wk = 0.0024814 k( 127) = ( 0.3230769 0.1865285 0.5275824), wk = 0.0024814 k( 128) = ( 0.3173077 0.1831977 0.5181613), wk = 0.0024814 k( 129) = ( 0.3115385 0.1798668 0.5087402), wk = 0.0024814 k( 130) = ( 0.3057692 0.1765359 0.4993191), wk = 0.0024814 k( 131) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0024814 k( 132) = ( 0.2942308 0.1698742 0.4804768), wk = 0.0024814 k( 133) = ( 0.2884615 0.1665433 0.4710557), wk = 0.0024814 k( 134) = ( 0.2826923 0.1632125 0.4616346), wk = 0.0024814 k( 135) = ( 0.2769231 0.1598816 0.4522135), wk = 0.0024814 k( 136) = ( 0.2711538 0.1565507 0.4427924), wk = 0.0024814 k( 137) = ( 0.2653846 0.1532199 0.4333713), wk = 0.0024814 k( 138) = ( 0.2596154 0.1498890 0.4239502), wk = 0.0024814 k( 139) = ( 0.2538461 0.1465581 0.4145290), wk = 0.0024814 k( 140) = ( 0.2480769 0.1432273 0.4051079), wk = 0.0024814 k( 141) = ( 0.2423077 0.1398964 0.3956868), wk = 0.0024814 k( 142) = ( 0.2365385 0.1365655 0.3862657), wk = 0.0024814 k( 143) = ( 0.2307692 0.1332347 0.3768446), wk = 0.0024814 k( 144) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0024814 k( 145) = ( 0.2192308 0.1265729 0.3580023), wk = 0.0024814 k( 146) = ( 0.2134615 0.1232421 0.3485812), wk = 0.0024814 k( 147) = ( 0.2076923 0.1199112 0.3391601), wk = 0.0024814 k( 148) = ( 0.2019231 0.1165803 0.3297390), wk = 0.0024814 k( 149) = ( 0.1961538 0.1132495 0.3203179), wk = 0.0024814 k( 150) = ( 0.1903846 0.1099186 0.3108968), wk = 0.0024814 k( 151) = ( 0.1846154 0.1065877 0.3014757), wk = 0.0024814 k( 152) = ( 0.1788462 0.1032569 0.2920546), wk = 0.0024814 k( 153) = ( 0.1730769 0.0999260 0.2826334), wk = 0.0024814 k( 154) = ( 0.1673077 0.0965951 0.2732123), wk = 0.0024814 k( 155) = ( 0.1615385 0.0932643 0.2637912), wk = 0.0024814 k( 156) = ( 0.1557692 0.0899334 0.2543701), wk = 0.0024814 k( 157) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0024814 k( 158) = ( 0.1442308 0.0832717 0.2355279), wk = 0.0024814 k( 159) = ( 0.1384615 0.0799408 0.2261067), wk = 0.0024814 k( 160) = ( 0.1326923 0.0766099 0.2166856), wk = 0.0024814 k( 161) = ( 0.1269231 0.0732791 0.2072645), wk = 0.0024814 k( 162) = ( 0.1211538 0.0699482 0.1978434), wk = 0.0024814 k( 163) = ( 0.1153846 0.0666173 0.1884223), wk = 0.0024814 k( 164) = ( 0.1096154 0.0632865 0.1790012), wk = 0.0024814 k( 165) = ( 0.1038461 0.0599556 0.1695801), wk = 0.0024814 k( 166) = ( 0.0980769 0.0566247 0.1601590), wk = 0.0024814 k( 167) = ( 0.0923077 0.0532939 0.1507378), wk = 0.0024814 k( 168) = ( 0.0865385 0.0499630 0.1413167), wk = 0.0024814 k( 169) = ( 0.0807692 0.0466321 0.1318956), wk = 0.0024814 k( 170) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0024814 k( 171) = ( 0.0692308 0.0399704 0.1130534), wk = 0.0024814 k( 172) = ( 0.0634615 0.0366395 0.1036323), wk = 0.0024814 k( 173) = ( 0.0576923 0.0333087 0.0942111), wk = 0.0024814 k( 174) = ( 0.0519231 0.0299778 0.0847900), wk = 0.0024814 k( 175) = ( 0.0461539 0.0266469 0.0753689), wk = 0.0024814 k( 176) = ( 0.0403846 0.0233161 0.0659478), wk = 0.0024814 k( 177) = ( 0.0346154 0.0199852 0.0565267), wk = 0.0024814 k( 178) = ( 0.0288462 0.0166543 0.0471056), wk = 0.0024814 k( 179) = ( 0.0230769 0.0133235 0.0376845), wk = 0.0024814 k( 180) = ( 0.0173077 0.0099926 0.0282633), wk = 0.0024814 k( 181) = ( 0.0115385 0.0066617 0.0188422), wk = 0.0024814 k( 182) = ( 0.0057692 0.0033309 0.0094211), wk = 0.0024814 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024814 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024814 k( 185) = ( 0.0094340 0.0054467 0.0038514), wk = 0.0024814 k( 186) = ( 0.0188679 0.0108934 0.0077028), wk = 0.0024814 k( 187) = ( 0.0283019 0.0163401 0.0115542), wk = 0.0024814 k( 188) = ( 0.0377359 0.0217868 0.0154056), wk = 0.0024814 k( 189) = ( 0.0471698 0.0272335 0.0192570), wk = 0.0024814 k( 190) = ( 0.0566038 0.0326802 0.0231084), wk = 0.0024814 k( 191) = ( 0.0660377 0.0381269 0.0269598), wk = 0.0024814 k( 192) = ( 0.0754717 0.0435736 0.0308112), wk = 0.0024814 k( 193) = ( 0.0849057 0.0490203 0.0346626), wk = 0.0024814 k( 194) = ( 0.0943396 0.0544670 0.0385140), wk = 0.0024814 k( 195) = ( 0.1037736 0.0599137 0.0423654), wk = 0.0024814 k( 196) = ( 0.1132076 0.0653604 0.0462168), wk = 0.0024814 k( 197) = ( 0.1226415 0.0708071 0.0500682), wk = 0.0024814 k( 198) = ( 0.1320755 0.0762538 0.0539196), wk = 0.0024814 k( 199) = ( 0.1415094 0.0817005 0.0577710), wk = 0.0024814 k( 200) = ( 0.1509434 0.0871472 0.0616224), wk = 0.0024814 k( 201) = ( 0.1603774 0.0925939 0.0654738), wk = 0.0024814 k( 202) = ( 0.1698113 0.0980406 0.0693252), wk = 0.0024814 k( 203) = ( 0.1792453 0.1034873 0.0731766), wk = 0.0024814 k( 204) = ( 0.1886792 0.1089340 0.0770280), wk = 0.0024814 k( 205) = ( 0.1981132 0.1143807 0.0808794), wk = 0.0024814 k( 206) = ( 0.2075472 0.1198274 0.0847308), wk = 0.0024814 k( 207) = ( 0.2169811 0.1252741 0.0885822), wk = 0.0024814 k( 208) = ( 0.2264151 0.1307208 0.0924336), wk = 0.0024814 k( 209) = ( 0.2358491 0.1361675 0.0962850), wk = 0.0024814 k( 210) = ( 0.2452830 0.1416142 0.1001364), wk = 0.0024814 k( 211) = ( 0.2547170 0.1470609 0.1039878), wk = 0.0024814 k( 212) = ( 0.2641509 0.1525076 0.1078392), wk = 0.0024814 k( 213) = ( 0.2735849 0.1579543 0.1116906), wk = 0.0024814 k( 214) = ( 0.2830189 0.1634010 0.1155420), wk = 0.0024814 k( 215) = ( 0.2924528 0.1688477 0.1193934), wk = 0.0024814 k( 216) = ( 0.3018868 0.1742944 0.1232448), wk = 0.0024814 k( 217) = ( 0.3113207 0.1797411 0.1270962), wk = 0.0024814 k( 218) = ( 0.3207547 0.1851878 0.1309476), wk = 0.0024814 k( 219) = ( 0.3301887 0.1906345 0.1347990), wk = 0.0024814 k( 220) = ( 0.3396226 0.1960812 0.1386504), wk = 0.0024814 k( 221) = ( 0.3490566 0.2015279 0.1425018), wk = 0.0024814 k( 222) = ( 0.3584906 0.2069746 0.1463532), wk = 0.0024814 k( 223) = ( 0.3679245 0.2124213 0.1502046), wk = 0.0024814 k( 224) = ( 0.3773585 0.2178680 0.1540560), wk = 0.0024814 k( 225) = ( 0.3867925 0.2233147 0.1579074), wk = 0.0024814 k( 226) = ( 0.3962264 0.2287614 0.1617588), wk = 0.0024814 k( 227) = ( 0.4056604 0.2342081 0.1656102), wk = 0.0024814 k( 228) = ( 0.4150943 0.2396548 0.1694616), wk = 0.0024814 k( 229) = ( 0.4245283 0.2451015 0.1733130), wk = 0.0024814 k( 230) = ( 0.4339623 0.2505482 0.1771644), wk = 0.0024814 k( 231) = ( 0.4433962 0.2559949 0.1810158), wk = 0.0024814 k( 232) = ( 0.4528302 0.2614416 0.1848672), wk = 0.0024814 k( 233) = ( 0.4622641 0.2668883 0.1887185), wk = 0.0024814 k( 234) = ( 0.4716981 0.2723350 0.1925699), wk = 0.0024814 k( 235) = ( 0.4811321 0.2777817 0.1964213), wk = 0.0024814 k( 236) = ( 0.4905660 0.2832284 0.2002727), wk = 0.0024814 k( 237) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024814 k( 238) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024814 k( 239) = ( 0.5033784 0.2789226 0.2096410), wk = 0.0024814 k( 240) = ( 0.5067568 0.2691701 0.2151579), wk = 0.0024814 k( 241) = ( 0.5101351 0.2594175 0.2206748), wk = 0.0024814 k( 242) = ( 0.5135135 0.2496650 0.2261916), wk = 0.0024814 k( 243) = ( 0.5168919 0.2399124 0.2317085), wk = 0.0024814 k( 244) = ( 0.5202703 0.2301599 0.2372254), wk = 0.0024814 k( 245) = ( 0.5236487 0.2204074 0.2427422), wk = 0.0024814 k( 246) = ( 0.5270270 0.2106548 0.2482591), wk = 0.0024814 k( 247) = ( 0.5304054 0.2009023 0.2537760), wk = 0.0024814 k( 248) = ( 0.5337838 0.1911498 0.2592928), wk = 0.0024814 k( 249) = ( 0.5371622 0.1813972 0.2648097), wk = 0.0024814 k( 250) = ( 0.5405405 0.1716447 0.2703266), wk = 0.0024814 k( 251) = ( 0.5439189 0.1618921 0.2758434), wk = 0.0024814 k( 252) = ( 0.5472973 0.1521396 0.2813603), wk = 0.0024814 k( 253) = ( 0.5506757 0.1423871 0.2868772), wk = 0.0024814 k( 254) = ( 0.5540540 0.1326345 0.2923940), wk = 0.0024814 k( 255) = ( 0.5574324 0.1228820 0.2979109), wk = 0.0024814 k( 256) = ( 0.5608108 0.1131294 0.3034278), wk = 0.0024814 k( 257) = ( 0.5641892 0.1033769 0.3089447), wk = 0.0024814 k( 258) = ( 0.5675676 0.0936244 0.3144615), wk = 0.0024814 k( 259) = ( 0.5709460 0.0838718 0.3199784), wk = 0.0024814 k( 260) = ( 0.5743243 0.0741193 0.3254953), wk = 0.0024814 k( 261) = ( 0.5777027 0.0643667 0.3310121), wk = 0.0024814 k( 262) = ( 0.5810811 0.0546142 0.3365290), wk = 0.0024814 k( 263) = ( 0.5844595 0.0448617 0.3420459), wk = 0.0024814 k( 264) = ( 0.5878378 0.0351091 0.3475627), wk = 0.0024814 k( 265) = ( 0.5912162 0.0253566 0.3530796), wk = 0.0024814 k( 266) = ( 0.5945946 0.0156041 0.3585965), wk = 0.0024814 k( 267) = ( 0.5979730 0.0058515 0.3641133), wk = 0.0024814 k( 268) = ( 0.6013513 -0.0039010 0.3696302), wk = 0.0024814 k( 269) = ( 0.6047297 -0.0136536 0.3751471), wk = 0.0024814 k( 270) = ( 0.6081081 -0.0234061 0.3806639), wk = 0.0024814 k( 271) = ( 0.6114865 -0.0331586 0.3861808), wk = 0.0024814 k( 272) = ( 0.6148649 -0.0429112 0.3916977), wk = 0.0024814 k( 273) = ( 0.6182432 -0.0526637 0.3972146), wk = 0.0024814 k( 274) = ( 0.6216216 -0.0624162 0.4027314), wk = 0.0024814 k( 275) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0024814 k( 276) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0024814 k( 277) = ( 0.6193182 -0.0688884 0.4175267), wk = 0.0024814 k( 278) = ( 0.6136364 -0.0656080 0.4268050), wk = 0.0024814 k( 279) = ( 0.6079545 -0.0623276 0.4360834), wk = 0.0024814 k( 280) = ( 0.6022727 -0.0590472 0.4453618), wk = 0.0024814 k( 281) = ( 0.5965909 -0.0557668 0.4546401), wk = 0.0024814 k( 282) = ( 0.5909091 -0.0524864 0.4639185), wk = 0.0024814 k( 283) = ( 0.5852273 -0.0492060 0.4731969), wk = 0.0024814 k( 284) = ( 0.5795455 -0.0459256 0.4824753), wk = 0.0024814 k( 285) = ( 0.5738636 -0.0426452 0.4917536), wk = 0.0024814 k( 286) = ( 0.5681818 -0.0393648 0.5010320), wk = 0.0024814 k( 287) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0024814 k( 288) = ( 0.5568182 -0.0328040 0.5195887), wk = 0.0024814 k( 289) = ( 0.5511364 -0.0295236 0.5288671), wk = 0.0024814 k( 290) = ( 0.5454545 -0.0262432 0.5381455), wk = 0.0024814 k( 291) = ( 0.5397727 -0.0229628 0.5474238), wk = 0.0024814 k( 292) = ( 0.5340909 -0.0196824 0.5567022), wk = 0.0024814 k( 293) = ( 0.5284091 -0.0164020 0.5659806), wk = 0.0024814 k( 294) = ( 0.5227273 -0.0131216 0.5752590), wk = 0.0024814 k( 295) = ( 0.5170455 -0.0098412 0.5845373), wk = 0.0024814 k( 296) = ( 0.5113636 -0.0065608 0.5938157), wk = 0.0024814 k( 297) = ( 0.5056818 -0.0032804 0.6030941), wk = 0.0024814 k( 298) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0024814 k( 299) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0024814 k( 300) = ( 0.5000000 0.0067134 0.6028783), wk = 0.0024814 k( 301) = ( 0.5000000 0.0134268 0.5933841), wk = 0.0024814 k( 302) = ( 0.5000000 0.0201401 0.5838900), wk = 0.0024814 k( 303) = ( 0.5000000 0.0268535 0.5743959), wk = 0.0024814 k( 304) = ( 0.5000000 0.0335669 0.5649017), wk = 0.0024814 k( 305) = ( 0.5000000 0.0402803 0.5554076), wk = 0.0024814 k( 306) = ( 0.5000000 0.0469936 0.5459134), wk = 0.0024814 k( 307) = ( 0.5000000 0.0537070 0.5364193), wk = 0.0024814 k( 308) = ( 0.5000000 0.0604204 0.5269251), wk = 0.0024814 k( 309) = ( 0.5000000 0.0671337 0.5174310), wk = 0.0024814 k( 310) = ( 0.5000000 0.0738471 0.5079368), wk = 0.0024814 k( 311) = ( 0.5000000 0.0805605 0.4984427), wk = 0.0024814 k( 312) = ( 0.5000000 0.0872739 0.4889485), wk = 0.0024814 k( 313) = ( 0.5000000 0.0939873 0.4794544), wk = 0.0024814 k( 314) = ( 0.5000000 0.1007006 0.4699602), wk = 0.0024814 k( 315) = ( 0.5000000 0.1074140 0.4604661), wk = 0.0024814 k( 316) = ( 0.5000000 0.1141274 0.4509719), wk = 0.0024814 k( 317) = ( 0.5000000 0.1208408 0.4414778), wk = 0.0024814 k( 318) = ( 0.5000000 0.1275541 0.4319837), wk = 0.0024814 k( 319) = ( 0.5000000 0.1342675 0.4224895), wk = 0.0024814 k( 320) = ( 0.5000000 0.1409809 0.4129954), wk = 0.0024814 k( 321) = ( 0.5000000 0.1476943 0.4035012), wk = 0.0024814 k( 322) = ( 0.5000000 0.1544076 0.3940071), wk = 0.0024814 k( 323) = ( 0.5000000 0.1611210 0.3845129), wk = 0.0024814 k( 324) = ( 0.5000000 0.1678344 0.3750188), wk = 0.0024814 k( 325) = ( 0.5000000 0.1745478 0.3655246), wk = 0.0024814 k( 326) = ( 0.5000000 0.1812611 0.3560305), wk = 0.0024814 k( 327) = ( 0.5000000 0.1879745 0.3465363), wk = 0.0024814 k( 328) = ( 0.5000000 0.1946879 0.3370422), wk = 0.0024814 k( 329) = ( 0.5000000 0.2014013 0.3275481), wk = 0.0024814 k( 330) = ( 0.5000000 0.2081146 0.3180539), wk = 0.0024814 k( 331) = ( 0.5000000 0.2148280 0.3085598), wk = 0.0024814 k( 332) = ( 0.5000000 0.2215414 0.2990656), wk = 0.0024814 k( 333) = ( 0.5000000 0.2282548 0.2895715), wk = 0.0024814 k( 334) = ( 0.5000000 0.2349681 0.2800773), wk = 0.0024814 k( 335) = ( 0.5000000 0.2416815 0.2705832), wk = 0.0024814 k( 336) = ( 0.5000000 0.2483949 0.2610890), wk = 0.0024814 k( 337) = ( 0.5000000 0.2551083 0.2515949), wk = 0.0024814 k( 338) = ( 0.5000000 0.2618216 0.2421007), wk = 0.0024814 k( 339) = ( 0.5000000 0.2685350 0.2326066), wk = 0.0024814 k( 340) = ( 0.5000000 0.2752484 0.2231124), wk = 0.0024814 k( 341) = ( 0.5000000 0.2819618 0.2136183), wk = 0.0024814 k( 342) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024814 k( 343) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024814 k( 344) = ( 0.4966216 0.2867246 0.2151579), wk = 0.0024814 k( 345) = ( 0.4932432 0.2847741 0.2261916), wk = 0.0024814 k( 346) = ( 0.4898649 0.2828236 0.2372254), wk = 0.0024814 k( 347) = ( 0.4864865 0.2808731 0.2482591), wk = 0.0024814 k( 348) = ( 0.4831081 0.2789226 0.2592928), wk = 0.0024814 k( 349) = ( 0.4797297 0.2769721 0.2703266), wk = 0.0024814 k( 350) = ( 0.4763514 0.2750216 0.2813603), wk = 0.0024814 k( 351) = ( 0.4729730 0.2730711 0.2923940), wk = 0.0024814 k( 352) = ( 0.4695946 0.2711206 0.3034278), wk = 0.0024814 k( 353) = ( 0.4662162 0.2691701 0.3144615), wk = 0.0024814 k( 354) = ( 0.4628378 0.2672196 0.3254953), wk = 0.0024814 k( 355) = ( 0.4594595 0.2652690 0.3365290), wk = 0.0024814 k( 356) = ( 0.4560811 0.2633185 0.3475627), wk = 0.0024814 k( 357) = ( 0.4527027 0.2613680 0.3585965), wk = 0.0024814 k( 358) = ( 0.4493243 0.2594175 0.3696302), wk = 0.0024814 k( 359) = ( 0.4459459 0.2574670 0.3806639), wk = 0.0024814 k( 360) = ( 0.4425676 0.2555165 0.3916977), wk = 0.0024814 k( 361) = ( 0.4391892 0.2535660 0.4027314), wk = 0.0024814 k( 362) = ( 0.4358108 0.2516155 0.4137652), wk = 0.0024814 k( 363) = ( 0.4324324 0.2496650 0.4247989), wk = 0.0024814 k( 364) = ( 0.4290541 0.2477145 0.4358326), wk = 0.0024814 k( 365) = ( 0.4256757 0.2457640 0.4468664), wk = 0.0024814 k( 366) = ( 0.4222973 0.2438135 0.4579001), wk = 0.0024814 k( 367) = ( 0.4189189 0.2418630 0.4689338), wk = 0.0024814 k( 368) = ( 0.4155405 0.2399124 0.4799676), wk = 0.0024814 k( 369) = ( 0.4121622 0.2379619 0.4910013), wk = 0.0024814 k( 370) = ( 0.4087838 0.2360114 0.5020351), wk = 0.0024814 k( 371) = ( 0.4054054 0.2340609 0.5130688), wk = 0.0024814 k( 372) = ( 0.4020270 0.2321104 0.5241025), wk = 0.0024814 k( 373) = ( 0.3986486 0.2301599 0.5351363), wk = 0.0024814 k( 374) = ( 0.3952703 0.2282094 0.5461700), wk = 0.0024814 k( 375) = ( 0.3918919 0.2262589 0.5572038), wk = 0.0024814 k( 376) = ( 0.3885135 0.2243084 0.5682375), wk = 0.0024814 k( 377) = ( 0.3851351 0.2223579 0.5792712), wk = 0.0024814 k( 378) = ( 0.3817568 0.2204074 0.5903050), wk = 0.0024814 k( 379) = ( 0.3783784 0.2184569 0.6013387), wk = 0.0024814 k( 380) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0024814 k( 381) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0024814 k( 382) = ( 0.6193182 -0.0820100 0.4082483), wk = 0.0024814 k( 383) = ( 0.6136364 -0.0918512 0.4082483), wk = 0.0024814 k( 384) = ( 0.6079545 -0.1016924 0.4082483), wk = 0.0024814 k( 385) = ( 0.6022727 -0.1115336 0.4082483), wk = 0.0024814 k( 386) = ( 0.5965909 -0.1213748 0.4082483), wk = 0.0024814 k( 387) = ( 0.5909091 -0.1312160 0.4082483), wk = 0.0024814 k( 388) = ( 0.5852273 -0.1410572 0.4082483), wk = 0.0024814 k( 389) = ( 0.5795455 -0.1508984 0.4082483), wk = 0.0024814 k( 390) = ( 0.5738636 -0.1607396 0.4082483), wk = 0.0024814 k( 391) = ( 0.5681818 -0.1705808 0.4082483), wk = 0.0024814 k( 392) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0024814 k( 393) = ( 0.5568182 -0.1902632 0.4082483), wk = 0.0024814 k( 394) = ( 0.5511364 -0.2001043 0.4082483), wk = 0.0024814 k( 395) = ( 0.5454545 -0.2099456 0.4082483), wk = 0.0024814 k( 396) = ( 0.5397727 -0.2197868 0.4082483), wk = 0.0024814 k( 397) = ( 0.5340909 -0.2296279 0.4082483), wk = 0.0024814 k( 398) = ( 0.5284091 -0.2394691 0.4082483), wk = 0.0024814 k( 399) = ( 0.5227273 -0.2493103 0.4082483), wk = 0.0024814 k( 400) = ( 0.5170455 -0.2591515 0.4082483), wk = 0.0024814 k( 401) = ( 0.5113636 -0.2689927 0.4082483), wk = 0.0024814 k( 402) = ( 0.5056818 -0.2788339 0.4082483), wk = 0.0024814 k( 403) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0024814 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024814 k( 2) = ( 0.0081967 -0.0000000 0.0081967), wk = 0.0024814 k( 3) = ( 0.0163934 -0.0000000 0.0163934), wk = 0.0024814 k( 4) = ( 0.0245902 -0.0000000 0.0245902), wk = 0.0024814 k( 5) = ( 0.0327869 0.0000000 0.0327869), wk = 0.0024814 k( 6) = ( 0.0409836 -0.0000000 0.0409836), wk = 0.0024814 k( 7) = ( 0.0491803 -0.0000000 0.0491803), wk = 0.0024814 k( 8) = ( 0.0573770 -0.0000000 0.0573771), wk = 0.0024814 k( 9) = ( 0.0655738 -0.0000000 0.0655738), wk = 0.0024814 k( 10) = ( 0.0737705 0.0000000 0.0737705), wk = 0.0024814 k( 11) = ( 0.0819672 -0.0000000 0.0819672), wk = 0.0024814 k( 12) = ( 0.0901639 -0.0000000 0.0901639), wk = 0.0024814 k( 13) = ( 0.0983607 -0.0000000 0.0983607), wk = 0.0024814 k( 14) = ( 0.1065574 -0.0000000 0.1065574), wk = 0.0024814 k( 15) = ( 0.1147541 -0.0000000 0.1147541), wk = 0.0024814 k( 16) = ( 0.1229508 -0.0000000 0.1229508), wk = 0.0024814 k( 17) = ( 0.1311475 -0.0000000 0.1311475), wk = 0.0024814 k( 18) = ( 0.1393443 0.0000000 0.1393443), wk = 0.0024814 k( 19) = ( 0.1475410 0.0000000 0.1475410), wk = 0.0024814 k( 20) = ( 0.1557377 -0.0000000 0.1557377), wk = 0.0024814 k( 21) = ( 0.1639344 -0.0000000 0.1639344), wk = 0.0024814 k( 22) = ( 0.1721312 0.0000000 0.1721312), wk = 0.0024814 k( 23) = ( 0.1803279 -0.0000000 0.1803279), wk = 0.0024814 k( 24) = ( 0.1885246 -0.0000000 0.1885246), wk = 0.0024814 k( 25) = ( 0.1967213 -0.0000000 0.1967213), wk = 0.0024814 k( 26) = ( 0.2049180 -0.0000000 0.2049180), wk = 0.0024814 k( 27) = ( 0.2131147 -0.0000000 0.2131148), wk = 0.0024814 k( 28) = ( 0.2213115 -0.0000000 0.2213115), wk = 0.0024814 k( 29) = ( 0.2295082 -0.0000000 0.2295082), wk = 0.0024814 k( 30) = ( 0.2377049 -0.0000000 0.2377049), wk = 0.0024814 k( 31) = ( 0.2459016 -0.0000000 0.2459016), wk = 0.0024814 k( 32) = ( 0.2540984 0.0000000 0.2540984), wk = 0.0024814 k( 33) = ( 0.2622951 -0.0000000 0.2622951), wk = 0.0024814 k( 34) = ( 0.2704918 0.0000000 0.2704918), wk = 0.0024814 k( 35) = ( 0.2786885 0.0000000 0.2786885), wk = 0.0024814 k( 36) = ( 0.2868852 0.0000000 0.2868852), wk = 0.0024814 k( 37) = ( 0.2950820 -0.0000000 0.2950820), wk = 0.0024814 k( 38) = ( 0.3032787 0.0000000 0.3032787), wk = 0.0024814 k( 39) = ( 0.3114754 0.0000000 0.3114754), wk = 0.0024814 k( 40) = ( 0.3196721 -0.0000000 0.3196721), wk = 0.0024814 k( 41) = ( 0.3278688 0.0000000 0.3278689), wk = 0.0024814 k( 42) = ( 0.3360656 -0.0000000 0.3360656), wk = 0.0024814 k( 43) = ( 0.3442623 0.0000000 0.3442623), wk = 0.0024814 k( 44) = ( 0.3524590 -0.0000000 0.3524590), wk = 0.0024814 k( 45) = ( 0.3606557 -0.0000000 0.3606557), wk = 0.0024814 k( 46) = ( 0.3688525 -0.0000000 0.3688525), wk = 0.0024814 k( 47) = ( 0.3770492 -0.0000000 0.3770492), wk = 0.0024814 k( 48) = ( 0.3852459 -0.0000000 0.3852459), wk = 0.0024814 k( 49) = ( 0.3934426 -0.0000000 0.3934426), wk = 0.0024814 k( 50) = ( 0.4016393 -0.0000000 0.4016393), wk = 0.0024814 k( 51) = ( 0.4098361 -0.0000000 0.4098361), wk = 0.0024814 k( 52) = ( 0.4180328 -0.0000000 0.4180328), wk = 0.0024814 k( 53) = ( 0.4262295 -0.0000000 0.4262295), wk = 0.0024814 k( 54) = ( 0.4344262 -0.0000000 0.4344262), wk = 0.0024814 k( 55) = ( 0.4426230 -0.0000000 0.4426230), wk = 0.0024814 k( 56) = ( 0.4508197 -0.0000000 0.4508197), wk = 0.0024814 k( 57) = ( 0.4590164 -0.0000000 0.4590164), wk = 0.0024814 k( 58) = ( 0.4672131 -0.0000000 0.4672131), wk = 0.0024814 k( 59) = ( 0.4754098 -0.0000000 0.4754098), wk = 0.0024814 k( 60) = ( 0.4836066 -0.0000000 0.4836066), wk = 0.0024814 k( 61) = ( 0.4918033 -0.0000000 0.4918033), wk = 0.0024814 k( 62) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024814 k( 63) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024814 k( 64) = ( 0.5000000 0.0080645 0.5080645), wk = 0.0024814 k( 65) = ( 0.5000000 0.0161290 0.5161290), wk = 0.0024814 k( 66) = ( 0.5000000 0.0241935 0.5241936), wk = 0.0024814 k( 67) = ( 0.5000000 0.0322581 0.5322581), wk = 0.0024814 k( 68) = ( 0.5000000 0.0403226 0.5403226), wk = 0.0024814 k( 69) = ( 0.5000000 0.0483871 0.5483871), wk = 0.0024814 k( 70) = ( 0.5000000 0.0564516 0.5564516), wk = 0.0024814 k( 71) = ( 0.5000000 0.0645161 0.5645161), wk = 0.0024814 k( 72) = ( 0.5000000 0.0725806 0.5725807), wk = 0.0024814 k( 73) = ( 0.5000000 0.0806452 0.5806452), wk = 0.0024814 k( 74) = ( 0.5000000 0.0887097 0.5887097), wk = 0.0024814 k( 75) = ( 0.5000000 0.0967742 0.5967742), wk = 0.0024814 k( 76) = ( 0.5000000 0.1048387 0.6048387), wk = 0.0024814 k( 77) = ( 0.5000000 0.1129032 0.6129032), wk = 0.0024814 k( 78) = ( 0.5000000 0.1209677 0.6209677), wk = 0.0024814 k( 79) = ( 0.5000000 0.1290323 0.6290323), wk = 0.0024814 k( 80) = ( 0.5000000 0.1370968 0.6370968), wk = 0.0024814 k( 81) = ( 0.5000000 0.1451613 0.6451613), wk = 0.0024814 k( 82) = ( 0.5000000 0.1532258 0.6532258), wk = 0.0024814 k( 83) = ( 0.5000000 0.1612903 0.6612903), wk = 0.0024814 k( 84) = ( 0.5000000 0.1693548 0.6693548), wk = 0.0024814 k( 85) = ( 0.5000000 0.1774194 0.6774194), wk = 0.0024814 k( 86) = ( 0.5000000 0.1854839 0.6854839), wk = 0.0024814 k( 87) = ( 0.5000000 0.1935484 0.6935484), wk = 0.0024814 k( 88) = ( 0.5000000 0.2016129 0.7016129), wk = 0.0024814 k( 89) = ( 0.5000000 0.2096774 0.7096774), wk = 0.0024814 k( 90) = ( 0.5000000 0.2177419 0.7177419), wk = 0.0024814 k( 91) = ( 0.5000000 0.2258064 0.7258065), wk = 0.0024814 k( 92) = ( 0.5000000 0.2338710 0.7338710), wk = 0.0024814 k( 93) = ( 0.5000000 0.2419355 0.7419355), wk = 0.0024814 k( 94) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024814 k( 95) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024814 k( 96) = ( 0.4943182 0.2556818 0.7500000), wk = 0.0024814 k( 97) = ( 0.4886364 0.2613636 0.7500000), wk = 0.0024814 k( 98) = ( 0.4829545 0.2670455 0.7500000), wk = 0.0024814 k( 99) = ( 0.4772727 0.2727273 0.7500000), wk = 0.0024814 k( 100) = ( 0.4715909 0.2784091 0.7500000), wk = 0.0024814 k( 101) = ( 0.4659091 0.2840909 0.7500000), wk = 0.0024814 k( 102) = ( 0.4602273 0.2897727 0.7500000), wk = 0.0024814 k( 103) = ( 0.4545455 0.2954545 0.7500000), wk = 0.0024814 k( 104) = ( 0.4488636 0.3011364 0.7500000), wk = 0.0024814 k( 105) = ( 0.4431818 0.3068182 0.7500000), wk = 0.0024814 k( 106) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0024814 k( 107) = ( 0.4318182 0.3181818 0.7500000), wk = 0.0024814 k( 108) = ( 0.4261364 0.3238636 0.7500000), wk = 0.0024814 k( 109) = ( 0.4204545 0.3295455 0.7500000), wk = 0.0024814 k( 110) = ( 0.4147727 0.3352273 0.7500000), wk = 0.0024814 k( 111) = ( 0.4090909 0.3409091 0.7500000), wk = 0.0024814 k( 112) = ( 0.4034091 0.3465909 0.7500000), wk = 0.0024814 k( 113) = ( 0.3977273 0.3522727 0.7500000), wk = 0.0024814 k( 114) = ( 0.3920455 0.3579545 0.7500000), wk = 0.0024814 k( 115) = ( 0.3863636 0.3636364 0.7500000), wk = 0.0024814 k( 116) = ( 0.3806818 0.3693182 0.7500000), wk = 0.0024814 k( 117) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0024814 k( 118) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0024814 k( 119) = ( 0.3692308 0.3692308 0.7384615), wk = 0.0024814 k( 120) = ( 0.3634615 0.3634615 0.7269231), wk = 0.0024814 k( 121) = ( 0.3576923 0.3576923 0.7153846), wk = 0.0024814 k( 122) = ( 0.3519231 0.3519231 0.7038462), wk = 0.0024814 k( 123) = ( 0.3461538 0.3461538 0.6923077), wk = 0.0024814 k( 124) = ( 0.3403846 0.3403846 0.6807692), wk = 0.0024814 k( 125) = ( 0.3346154 0.3346154 0.6692308), wk = 0.0024814 k( 126) = ( 0.3288462 0.3288462 0.6576923), wk = 0.0024814 k( 127) = ( 0.3230769 0.3230769 0.6461539), wk = 0.0024814 k( 128) = ( 0.3173077 0.3173077 0.6346154), wk = 0.0024814 k( 129) = ( 0.3115385 0.3115385 0.6230769), wk = 0.0024814 k( 130) = ( 0.3057692 0.3057692 0.6115385), wk = 0.0024814 k( 131) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0024814 k( 132) = ( 0.2942308 0.2942308 0.5884615), wk = 0.0024814 k( 133) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0024814 k( 134) = ( 0.2826923 0.2826923 0.5653846), wk = 0.0024814 k( 135) = ( 0.2769231 0.2769231 0.5538462), wk = 0.0024814 k( 136) = ( 0.2711538 0.2711538 0.5423077), wk = 0.0024814 k( 137) = ( 0.2653846 0.2653846 0.5307692), wk = 0.0024814 k( 138) = ( 0.2596154 0.2596154 0.5192308), wk = 0.0024814 k( 139) = ( 0.2538461 0.2538462 0.5076923), wk = 0.0024814 k( 140) = ( 0.2480769 0.2480769 0.4961539), wk = 0.0024814 k( 141) = ( 0.2423077 0.2423077 0.4846154), wk = 0.0024814 k( 142) = ( 0.2365385 0.2365385 0.4730769), wk = 0.0024814 k( 143) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0024814 k( 144) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0024814 k( 145) = ( 0.2192308 0.2192308 0.4384615), wk = 0.0024814 k( 146) = ( 0.2134615 0.2134615 0.4269231), wk = 0.0024814 k( 147) = ( 0.2076923 0.2076923 0.4153846), wk = 0.0024814 k( 148) = ( 0.2019231 0.2019231 0.4038462), wk = 0.0024814 k( 149) = ( 0.1961538 0.1961539 0.3923077), wk = 0.0024814 k( 150) = ( 0.1903846 0.1903846 0.3807692), wk = 0.0024814 k( 151) = ( 0.1846154 0.1846154 0.3692308), wk = 0.0024814 k( 152) = ( 0.1788462 0.1788462 0.3576923), wk = 0.0024814 k( 153) = ( 0.1730769 0.1730769 0.3461539), wk = 0.0024814 k( 154) = ( 0.1673077 0.1673077 0.3346154), wk = 0.0024814 k( 155) = ( 0.1615385 0.1615385 0.3230769), wk = 0.0024814 k( 156) = ( 0.1557692 0.1557692 0.3115385), wk = 0.0024814 k( 157) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0024814 k( 158) = ( 0.1442308 0.1442308 0.2884615), wk = 0.0024814 k( 159) = ( 0.1384615 0.1384615 0.2769231), wk = 0.0024814 k( 160) = ( 0.1326923 0.1326923 0.2653846), wk = 0.0024814 k( 161) = ( 0.1269231 0.1269231 0.2538461), wk = 0.0024814 k( 162) = ( 0.1211538 0.1211539 0.2423077), wk = 0.0024814 k( 163) = ( 0.1153846 0.1153846 0.2307692), wk = 0.0024814 k( 164) = ( 0.1096154 0.1096154 0.2192308), wk = 0.0024814 k( 165) = ( 0.1038461 0.1038462 0.2076923), wk = 0.0024814 k( 166) = ( 0.0980769 0.0980769 0.1961539), wk = 0.0024814 k( 167) = ( 0.0923077 0.0923077 0.1846154), wk = 0.0024814 k( 168) = ( 0.0865385 0.0865385 0.1730769), wk = 0.0024814 k( 169) = ( 0.0807692 0.0807692 0.1615385), wk = 0.0024814 k( 170) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0024814 k( 171) = ( 0.0692308 0.0692308 0.1384615), wk = 0.0024814 k( 172) = ( 0.0634615 0.0634615 0.1269231), wk = 0.0024814 k( 173) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0024814 k( 174) = ( 0.0519231 0.0519231 0.1038462), wk = 0.0024814 k( 175) = ( 0.0461539 0.0461539 0.0923077), wk = 0.0024814 k( 176) = ( 0.0403846 0.0403846 0.0807692), wk = 0.0024814 k( 177) = ( 0.0346154 0.0346154 0.0692308), wk = 0.0024814 k( 178) = ( 0.0288462 0.0288462 0.0576923), wk = 0.0024814 k( 179) = ( 0.0230769 0.0230769 0.0461539), wk = 0.0024814 k( 180) = ( 0.0173077 0.0173077 0.0346154), wk = 0.0024814 k( 181) = ( 0.0115385 0.0115385 0.0230769), wk = 0.0024814 k( 182) = ( 0.0057692 0.0057692 0.0115385), wk = 0.0024814 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024814 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024814 k( 185) = ( 0.0094340 0.0094340 0.0094340), wk = 0.0024814 k( 186) = ( 0.0188679 0.0188679 0.0188679), wk = 0.0024814 k( 187) = ( 0.0283019 0.0283019 0.0283019), wk = 0.0024814 k( 188) = ( 0.0377359 0.0377359 0.0377359), wk = 0.0024814 k( 189) = ( 0.0471698 0.0471698 0.0471698), wk = 0.0024814 k( 190) = ( 0.0566038 0.0566038 0.0566038), wk = 0.0024814 k( 191) = ( 0.0660377 0.0660377 0.0660377), wk = 0.0024814 k( 192) = ( 0.0754717 0.0754717 0.0754717), wk = 0.0024814 k( 193) = ( 0.0849057 0.0849057 0.0849057), wk = 0.0024814 k( 194) = ( 0.0943396 0.0943396 0.0943396), wk = 0.0024814 k( 195) = ( 0.1037736 0.1037736 0.1037736), wk = 0.0024814 k( 196) = ( 0.1132076 0.1132076 0.1132076), wk = 0.0024814 k( 197) = ( 0.1226415 0.1226415 0.1226415), wk = 0.0024814 k( 198) = ( 0.1320755 0.1320755 0.1320755), wk = 0.0024814 k( 199) = ( 0.1415094 0.1415094 0.1415094), wk = 0.0024814 k( 200) = ( 0.1509434 0.1509434 0.1509434), wk = 0.0024814 k( 201) = ( 0.1603774 0.1603774 0.1603774), wk = 0.0024814 k( 202) = ( 0.1698113 0.1698113 0.1698113), wk = 0.0024814 k( 203) = ( 0.1792453 0.1792453 0.1792453), wk = 0.0024814 k( 204) = ( 0.1886792 0.1886792 0.1886792), wk = 0.0024814 k( 205) = ( 0.1981132 0.1981132 0.1981132), wk = 0.0024814 k( 206) = ( 0.2075472 0.2075472 0.2075472), wk = 0.0024814 k( 207) = ( 0.2169811 0.2169811 0.2169811), wk = 0.0024814 k( 208) = ( 0.2264151 0.2264151 0.2264151), wk = 0.0024814 k( 209) = ( 0.2358491 0.2358491 0.2358491), wk = 0.0024814 k( 210) = ( 0.2452830 0.2452830 0.2452830), wk = 0.0024814 k( 211) = ( 0.2547170 0.2547170 0.2547170), wk = 0.0024814 k( 212) = ( 0.2641509 0.2641509 0.2641509), wk = 0.0024814 k( 213) = ( 0.2735849 0.2735849 0.2735849), wk = 0.0024814 k( 214) = ( 0.2830189 0.2830189 0.2830189), wk = 0.0024814 k( 215) = ( 0.2924528 0.2924528 0.2924528), wk = 0.0024814 k( 216) = ( 0.3018868 0.3018868 0.3018868), wk = 0.0024814 k( 217) = ( 0.3113207 0.3113208 0.3113208), wk = 0.0024814 k( 218) = ( 0.3207547 0.3207547 0.3207547), wk = 0.0024814 k( 219) = ( 0.3301887 0.3301887 0.3301887), wk = 0.0024814 k( 220) = ( 0.3396226 0.3396226 0.3396226), wk = 0.0024814 k( 221) = ( 0.3490566 0.3490566 0.3490566), wk = 0.0024814 k( 222) = ( 0.3584906 0.3584906 0.3584906), wk = 0.0024814 k( 223) = ( 0.3679245 0.3679245 0.3679245), wk = 0.0024814 k( 224) = ( 0.3773585 0.3773585 0.3773585), wk = 0.0024814 k( 225) = ( 0.3867925 0.3867925 0.3867925), wk = 0.0024814 k( 226) = ( 0.3962264 0.3962264 0.3962264), wk = 0.0024814 k( 227) = ( 0.4056604 0.4056604 0.4056604), wk = 0.0024814 k( 228) = ( 0.4150943 0.4150943 0.4150943), wk = 0.0024814 k( 229) = ( 0.4245283 0.4245283 0.4245283), wk = 0.0024814 k( 230) = ( 0.4339623 0.4339623 0.4339623), wk = 0.0024814 k( 231) = ( 0.4433962 0.4433962 0.4433962), wk = 0.0024814 k( 232) = ( 0.4528302 0.4528302 0.4528302), wk = 0.0024814 k( 233) = ( 0.4622641 0.4622641 0.4622642), wk = 0.0024814 k( 234) = ( 0.4716981 0.4716981 0.4716981), wk = 0.0024814 k( 235) = ( 0.4811321 0.4811321 0.4811321), wk = 0.0024814 k( 236) = ( 0.4905660 0.4905660 0.4905660), wk = 0.0024814 k( 237) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024814 k( 238) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024814 k( 239) = ( 0.5033784 0.4932432 0.5033784), wk = 0.0024814 k( 240) = ( 0.5067568 0.4864865 0.5067568), wk = 0.0024814 k( 241) = ( 0.5101351 0.4797297 0.5101351), wk = 0.0024814 k( 242) = ( 0.5135135 0.4729730 0.5135135), wk = 0.0024814 k( 243) = ( 0.5168919 0.4662162 0.5168919), wk = 0.0024814 k( 244) = ( 0.5202703 0.4594595 0.5202703), wk = 0.0024814 k( 245) = ( 0.5236487 0.4527027 0.5236487), wk = 0.0024814 k( 246) = ( 0.5270270 0.4459459 0.5270270), wk = 0.0024814 k( 247) = ( 0.5304054 0.4391892 0.5304054), wk = 0.0024814 k( 248) = ( 0.5337838 0.4324324 0.5337838), wk = 0.0024814 k( 249) = ( 0.5371622 0.4256757 0.5371622), wk = 0.0024814 k( 250) = ( 0.5405405 0.4189189 0.5405405), wk = 0.0024814 k( 251) = ( 0.5439189 0.4121622 0.5439189), wk = 0.0024814 k( 252) = ( 0.5472973 0.4054054 0.5472973), wk = 0.0024814 k( 253) = ( 0.5506757 0.3986486 0.5506757), wk = 0.0024814 k( 254) = ( 0.5540540 0.3918919 0.5540541), wk = 0.0024814 k( 255) = ( 0.5574324 0.3851351 0.5574324), wk = 0.0024814 k( 256) = ( 0.5608108 0.3783784 0.5608108), wk = 0.0024814 k( 257) = ( 0.5641892 0.3716216 0.5641892), wk = 0.0024814 k( 258) = ( 0.5675676 0.3648649 0.5675676), wk = 0.0024814 k( 259) = ( 0.5709460 0.3581081 0.5709460), wk = 0.0024814 k( 260) = ( 0.5743243 0.3513514 0.5743243), wk = 0.0024814 k( 261) = ( 0.5777027 0.3445946 0.5777027), wk = 0.0024814 k( 262) = ( 0.5810811 0.3378378 0.5810811), wk = 0.0024814 k( 263) = ( 0.5844595 0.3310811 0.5844595), wk = 0.0024814 k( 264) = ( 0.5878378 0.3243243 0.5878378), wk = 0.0024814 k( 265) = ( 0.5912162 0.3175676 0.5912162), wk = 0.0024814 k( 266) = ( 0.5945946 0.3108108 0.5945946), wk = 0.0024814 k( 267) = ( 0.5979730 0.3040541 0.5979730), wk = 0.0024814 k( 268) = ( 0.6013513 0.2972973 0.6013514), wk = 0.0024814 k( 269) = ( 0.6047297 0.2905405 0.6047297), wk = 0.0024814 k( 270) = ( 0.6081081 0.2837838 0.6081081), wk = 0.0024814 k( 271) = ( 0.6114865 0.2770270 0.6114865), wk = 0.0024814 k( 272) = ( 0.6148649 0.2702703 0.6148649), wk = 0.0024814 k( 273) = ( 0.6182432 0.2635135 0.6182432), wk = 0.0024814 k( 274) = ( 0.6216216 0.2567568 0.6216216), wk = 0.0024814 k( 275) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0024814 k( 276) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0024814 k( 277) = ( 0.6193182 0.2500000 0.6306818), wk = 0.0024814 k( 278) = ( 0.6136364 0.2500000 0.6363636), wk = 0.0024814 k( 279) = ( 0.6079545 0.2500000 0.6420455), wk = 0.0024814 k( 280) = ( 0.6022727 0.2500000 0.6477273), wk = 0.0024814 k( 281) = ( 0.5965909 0.2500000 0.6534091), wk = 0.0024814 k( 282) = ( 0.5909091 0.2500000 0.6590909), wk = 0.0024814 k( 283) = ( 0.5852273 0.2500000 0.6647727), wk = 0.0024814 k( 284) = ( 0.5795455 0.2500000 0.6704546), wk = 0.0024814 k( 285) = ( 0.5738636 0.2500000 0.6761364), wk = 0.0024814 k( 286) = ( 0.5681818 0.2500000 0.6818182), wk = 0.0024814 k( 287) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0024814 k( 288) = ( 0.5568182 0.2500000 0.6931818), wk = 0.0024814 k( 289) = ( 0.5511364 0.2500000 0.6988636), wk = 0.0024814 k( 290) = ( 0.5454545 0.2500000 0.7045455), wk = 0.0024814 k( 291) = ( 0.5397727 0.2500000 0.7102273), wk = 0.0024814 k( 292) = ( 0.5340909 0.2500000 0.7159091), wk = 0.0024814 k( 293) = ( 0.5284091 0.2500000 0.7215909), wk = 0.0024814 k( 294) = ( 0.5227273 0.2500000 0.7272727), wk = 0.0024814 k( 295) = ( 0.5170455 0.2500000 0.7329546), wk = 0.0024814 k( 296) = ( 0.5113636 0.2500000 0.7386364), wk = 0.0024814 k( 297) = ( 0.5056818 0.2500000 0.7443182), wk = 0.0024814 k( 298) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024814 k( 299) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024814 k( 300) = ( 0.5000000 0.2558140 0.7441861), wk = 0.0024814 k( 301) = ( 0.5000000 0.2616279 0.7383721), wk = 0.0024814 k( 302) = ( 0.5000000 0.2674419 0.7325581), wk = 0.0024814 k( 303) = ( 0.5000000 0.2732558 0.7267442), wk = 0.0024814 k( 304) = ( 0.5000000 0.2790698 0.7209302), wk = 0.0024814 k( 305) = ( 0.5000000 0.2848837 0.7151163), wk = 0.0024814 k( 306) = ( 0.5000000 0.2906977 0.7093023), wk = 0.0024814 k( 307) = ( 0.5000000 0.2965116 0.7034884), wk = 0.0024814 k( 308) = ( 0.5000000 0.3023256 0.6976744), wk = 0.0024814 k( 309) = ( 0.5000000 0.3081395 0.6918605), wk = 0.0024814 k( 310) = ( 0.5000000 0.3139535 0.6860465), wk = 0.0024814 k( 311) = ( 0.5000000 0.3197674 0.6802326), wk = 0.0024814 k( 312) = ( 0.5000000 0.3255814 0.6744186), wk = 0.0024814 k( 313) = ( 0.5000000 0.3313953 0.6686047), wk = 0.0024814 k( 314) = ( 0.5000000 0.3372093 0.6627907), wk = 0.0024814 k( 315) = ( 0.5000000 0.3430233 0.6569767), wk = 0.0024814 k( 316) = ( 0.5000000 0.3488372 0.6511628), wk = 0.0024814 k( 317) = ( 0.5000000 0.3546512 0.6453488), wk = 0.0024814 k( 318) = ( 0.5000000 0.3604651 0.6395349), wk = 0.0024814 k( 319) = ( 0.5000000 0.3662791 0.6337209), wk = 0.0024814 k( 320) = ( 0.5000000 0.3720930 0.6279070), wk = 0.0024814 k( 321) = ( 0.5000000 0.3779070 0.6220930), wk = 0.0024814 k( 322) = ( 0.5000000 0.3837209 0.6162791), wk = 0.0024814 k( 323) = ( 0.5000000 0.3895349 0.6104651), wk = 0.0024814 k( 324) = ( 0.5000000 0.3953488 0.6046512), wk = 0.0024814 k( 325) = ( 0.5000000 0.4011628 0.5988372), wk = 0.0024814 k( 326) = ( 0.5000000 0.4069767 0.5930233), wk = 0.0024814 k( 327) = ( 0.5000000 0.4127907 0.5872093), wk = 0.0024814 k( 328) = ( 0.5000000 0.4186047 0.5813954), wk = 0.0024814 k( 329) = ( 0.5000000 0.4244186 0.5755814), wk = 0.0024814 k( 330) = ( 0.5000000 0.4302326 0.5697674), wk = 0.0024814 k( 331) = ( 0.5000000 0.4360465 0.5639535), wk = 0.0024814 k( 332) = ( 0.5000000 0.4418605 0.5581395), wk = 0.0024814 k( 333) = ( 0.5000000 0.4476744 0.5523256), wk = 0.0024814 k( 334) = ( 0.5000000 0.4534884 0.5465116), wk = 0.0024814 k( 335) = ( 0.5000000 0.4593023 0.5406977), wk = 0.0024814 k( 336) = ( 0.5000000 0.4651163 0.5348837), wk = 0.0024814 k( 337) = ( 0.5000000 0.4709302 0.5290698), wk = 0.0024814 k( 338) = ( 0.5000000 0.4767442 0.5232558), wk = 0.0024814 k( 339) = ( 0.5000000 0.4825581 0.5174419), wk = 0.0024814 k( 340) = ( 0.5000000 0.4883721 0.5116279), wk = 0.0024814 k( 341) = ( 0.5000000 0.4941861 0.5058140), wk = 0.0024814 k( 342) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024814 k( 343) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024814 k( 344) = ( 0.4966216 0.4966216 0.5067568), wk = 0.0024814 k( 345) = ( 0.4932432 0.4932432 0.5135135), wk = 0.0024814 k( 346) = ( 0.4898649 0.4898649 0.5202703), wk = 0.0024814 k( 347) = ( 0.4864865 0.4864865 0.5270270), wk = 0.0024814 k( 348) = ( 0.4831081 0.4831081 0.5337838), wk = 0.0024814 k( 349) = ( 0.4797297 0.4797297 0.5405405), wk = 0.0024814 k( 350) = ( 0.4763514 0.4763514 0.5472973), wk = 0.0024814 k( 351) = ( 0.4729730 0.4729730 0.5540541), wk = 0.0024814 k( 352) = ( 0.4695946 0.4695946 0.5608108), wk = 0.0024814 k( 353) = ( 0.4662162 0.4662162 0.5675676), wk = 0.0024814 k( 354) = ( 0.4628378 0.4628378 0.5743243), wk = 0.0024814 k( 355) = ( 0.4594595 0.4594595 0.5810811), wk = 0.0024814 k( 356) = ( 0.4560811 0.4560811 0.5878378), wk = 0.0024814 k( 357) = ( 0.4527027 0.4527027 0.5945946), wk = 0.0024814 k( 358) = ( 0.4493243 0.4493243 0.6013514), wk = 0.0024814 k( 359) = ( 0.4459459 0.4459459 0.6081081), wk = 0.0024814 k( 360) = ( 0.4425676 0.4425676 0.6148649), wk = 0.0024814 k( 361) = ( 0.4391892 0.4391892 0.6216216), wk = 0.0024814 k( 362) = ( 0.4358108 0.4358108 0.6283784), wk = 0.0024814 k( 363) = ( 0.4324324 0.4324324 0.6351351), wk = 0.0024814 k( 364) = ( 0.4290541 0.4290541 0.6418919), wk = 0.0024814 k( 365) = ( 0.4256757 0.4256757 0.6486487), wk = 0.0024814 k( 366) = ( 0.4222973 0.4222973 0.6554054), wk = 0.0024814 k( 367) = ( 0.4189189 0.4189189 0.6621622), wk = 0.0024814 k( 368) = ( 0.4155405 0.4155405 0.6689189), wk = 0.0024814 k( 369) = ( 0.4121622 0.4121622 0.6756757), wk = 0.0024814 k( 370) = ( 0.4087838 0.4087838 0.6824324), wk = 0.0024814 k( 371) = ( 0.4054054 0.4054054 0.6891892), wk = 0.0024814 k( 372) = ( 0.4020270 0.4020270 0.6959460), wk = 0.0024814 k( 373) = ( 0.3986486 0.3986486 0.7027027), wk = 0.0024814 k( 374) = ( 0.3952703 0.3952703 0.7094595), wk = 0.0024814 k( 375) = ( 0.3918919 0.3918919 0.7162162), wk = 0.0024814 k( 376) = ( 0.3885135 0.3885135 0.7229730), wk = 0.0024814 k( 377) = ( 0.3851351 0.3851351 0.7297297), wk = 0.0024814 k( 378) = ( 0.3817568 0.3817568 0.7364865), wk = 0.0024814 k( 379) = ( 0.3783784 0.3783784 0.7432432), wk = 0.0024814 k( 380) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0024814 k( 381) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0024814 k( 382) = ( 0.6193182 0.2386364 0.6193182), wk = 0.0024814 k( 383) = ( 0.6136364 0.2272727 0.6136364), wk = 0.0024814 k( 384) = ( 0.6079545 0.2159091 0.6079546), wk = 0.0024814 k( 385) = ( 0.6022727 0.2045454 0.6022727), wk = 0.0024814 k( 386) = ( 0.5965909 0.1931818 0.5965909), wk = 0.0024814 k( 387) = ( 0.5909091 0.1818182 0.5909091), wk = 0.0024814 k( 388) = ( 0.5852273 0.1704545 0.5852273), wk = 0.0024814 k( 389) = ( 0.5795455 0.1590909 0.5795455), wk = 0.0024814 k( 390) = ( 0.5738636 0.1477273 0.5738636), wk = 0.0024814 k( 391) = ( 0.5681818 0.1363636 0.5681818), wk = 0.0024814 k( 392) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0024814 k( 393) = ( 0.5568182 0.1136364 0.5568182), wk = 0.0024814 k( 394) = ( 0.5511364 0.1022727 0.5511364), wk = 0.0024814 k( 395) = ( 0.5454545 0.0909091 0.5454546), wk = 0.0024814 k( 396) = ( 0.5397727 0.0795454 0.5397727), wk = 0.0024814 k( 397) = ( 0.5340909 0.0681818 0.5340909), wk = 0.0024814 k( 398) = ( 0.5284091 0.0568182 0.5284091), wk = 0.0024814 k( 399) = ( 0.5227273 0.0454545 0.5227273), wk = 0.0024814 k( 400) = ( 0.5170455 0.0340909 0.5170455), wk = 0.0024814 k( 401) = ( 0.5113636 0.0227273 0.5113636), wk = 0.0024814 k( 402) = ( 0.5056818 0.0113636 0.5056818), wk = 0.0024814 k( 403) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024814 Dense grid: 30467 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 14361 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.04 Mb ( 108, 24) NL pseudopotentials 0.04 Mb ( 54, 48) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 848) G-vector shells 0.00 Mb ( 255) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.16 Mb ( 108, 96) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.04 Mb ( 48, 2, 24) Check: negative/imaginary core charge= -0.000015 0.000000 The potential is recalculated from file : ./MgS.save/charge-density.dat Starting wfc are 18 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 1.7 secs Computing kpt #: 3 total cpu time spent up to now is 1.8 secs Computing kpt #: 4 total cpu time spent up to now is 1.9 secs Computing kpt #: 5 total cpu time spent up to now is 2.0 secs Computing kpt #: 6 total cpu time spent up to now is 2.1 secs Computing kpt #: 7 total cpu time spent up to now is 2.2 secs Computing kpt #: 8 total cpu time spent up to now is 2.3 secs Computing kpt #: 9 total cpu time spent up to now is 2.4 secs Computing kpt #: 10 total cpu time spent up to now is 2.5 secs Computing kpt #: 11 total cpu time spent up to now is 2.6 secs Computing kpt #: 12 total cpu time spent up to now is 2.7 secs Computing kpt #: 13 total cpu time spent up to now is 2.7 secs Computing kpt #: 14 total cpu time spent up to now is 2.8 secs Computing kpt #: 15 total cpu time spent up to now is 2.9 secs Computing kpt #: 16 total cpu time spent up to now is 3.1 secs Computing kpt #: 17 total cpu time spent up to now is 3.1 secs Computing kpt #: 18 total cpu time spent up to now is 3.2 secs Computing kpt #: 19 total cpu time spent up to now is 3.3 secs Computing kpt #: 20 total cpu time spent up to now is 3.5 secs Computing kpt #: 21 total cpu time spent up to now is 3.6 secs Computing kpt #: 22 total cpu time spent up to now is 3.7 secs Computing kpt #: 23 total cpu time spent up to now is 3.8 secs Computing kpt #: 24 total cpu time spent up to now is 3.9 secs Computing kpt #: 25 total cpu time spent up to now is 4.1 secs Computing kpt #: 26 total cpu time spent up to now is 4.2 secs Computing kpt #: 27 total cpu time spent up to now is 4.3 secs Computing kpt #: 28 total cpu time spent up to now is 4.5 secs Computing kpt #: 29 total cpu time spent up to now is 4.6 secs Computing kpt #: 30 total cpu time spent up to now is 4.8 secs Computing kpt #: 31 total cpu time spent up to now is 4.9 secs Computing kpt #: 32 total cpu time spent up to now is 4.9 secs Computing kpt #: 33 total cpu time spent up to now is 5.1 secs Computing kpt #: 34 total cpu time spent up to now is 5.3 secs Computing kpt #: 35 total cpu time spent up to now is 5.4 secs Computing kpt #: 36 total cpu time spent up to now is 5.6 secs Computing kpt #: 37 total cpu time spent up to now is 5.7 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 6.3 secs Computing kpt #: 42 total cpu time spent up to now is 6.5 secs Computing kpt #: 43 total cpu time spent up to now is 6.6 secs Computing kpt #: 44 total cpu time spent up to now is 6.8 secs Computing kpt #: 45 total cpu time spent up to now is 7.0 secs Computing kpt #: 46 total cpu time spent up to now is 7.1 secs Computing kpt #: 47 total cpu time spent up to now is 7.3 secs Computing kpt #: 48 total cpu time spent up to now is 7.4 secs Computing kpt #: 49 total cpu time spent up to now is 7.6 secs Computing kpt #: 50 total cpu time spent up to now is 7.7 secs Computing kpt #: 51 total cpu time spent up to now is 7.9 secs Computing kpt #: 52 total cpu time spent up to now is 8.0 secs Computing kpt #: 53 total cpu time spent up to now is 8.2 secs Computing kpt #: 54 total cpu time spent up to now is 8.3 secs Computing kpt #: 55 total cpu time spent up to now is 8.4 secs Computing kpt #: 56 total cpu time spent up to now is 8.6 secs Computing kpt #: 57 total cpu time spent up to now is 8.7 secs Computing kpt #: 58 total cpu time spent up to now is 8.8 secs Computing kpt #: 59 total cpu time spent up to now is 9.0 secs Computing kpt #: 60 total cpu time spent up to now is 9.1 secs Computing kpt #: 61 total cpu time spent up to now is 9.2 secs Computing kpt #: 62 total cpu time spent up to now is 9.3 secs Computing kpt #: 63 total cpu time spent up to now is 9.4 secs Computing kpt #: 64 total cpu time spent up to now is 9.6 secs Computing kpt #: 65 total cpu time spent up to now is 9.7 secs Computing kpt #: 66 total cpu time spent up to now is 9.8 secs Computing kpt #: 67 total cpu time spent up to now is 9.9 secs Computing kpt #: 68 total cpu time spent up to now is 10.0 secs Computing kpt #: 69 total cpu time spent up to now is 10.0 secs Computing kpt #: 70 total cpu time spent up to now is 10.1 secs Computing kpt #: 71 total cpu time spent up to now is 10.2 secs Computing kpt #: 72 total cpu time spent up to now is 10.3 secs Computing kpt #: 73 total cpu time spent up to now is 10.4 secs Computing kpt #: 74 total cpu time spent up to now is 10.5 secs Computing kpt #: 75 total cpu time spent up to now is 10.5 secs Computing kpt #: 76 total cpu time spent up to now is 10.6 secs Computing kpt #: 77 total cpu time spent up to now is 10.7 secs Computing kpt #: 78 total cpu time spent up to now is 10.8 secs Computing kpt #: 79 total cpu time spent up to now is 10.9 secs Computing kpt #: 80 total cpu time spent up to now is 10.9 secs Computing kpt #: 81 total cpu time spent up to now is 11.0 secs Computing kpt #: 82 total cpu time spent up to now is 11.1 secs Computing kpt #: 83 total cpu time spent up to now is 11.2 secs Computing kpt #: 84 total cpu time spent up to now is 11.2 secs Computing kpt #: 85 total cpu time spent up to now is 11.3 secs Computing kpt #: 86 total cpu time spent up to now is 11.4 secs Computing kpt #: 87 total cpu time spent up to now is 11.5 secs Computing kpt #: 88 total cpu time spent up to now is 11.7 secs Computing kpt #: 89 total cpu time spent up to now is 11.7 secs Computing kpt #: 90 total cpu time spent up to now is 11.8 secs Computing kpt #: 91 total cpu time spent up to now is 11.9 secs Computing kpt #: 92 total cpu time spent up to now is 12.0 secs Computing kpt #: 93 total cpu time spent up to now is 12.0 secs Computing kpt #: 94 total cpu time spent up to now is 12.1 secs Computing kpt #: 95 total cpu time spent up to now is 12.2 secs Computing kpt #: 96 total cpu time spent up to now is 12.3 secs Computing kpt #: 97 total cpu time spent up to now is 12.4 secs Computing kpt #: 98 total cpu time spent up to now is 12.4 secs Computing kpt #: 99 total cpu time spent up to now is 12.5 secs Computing kpt #: 100 total cpu time spent up to now is 12.6 secs Computing kpt #: 101 total cpu time spent up to now is 12.7 secs Computing kpt #: 102 total cpu time spent up to now is 12.7 secs Computing kpt #: 103 total cpu time spent up to now is 12.8 secs Computing kpt #: 104 total cpu time spent up to now is 12.9 secs Computing kpt #: 105 total cpu time spent up to now is 13.0 secs Computing kpt #: 106 total cpu time spent up to now is 13.0 secs Computing kpt #: 107 total cpu time spent up to now is 13.1 secs Computing kpt #: 108 total cpu time spent up to now is 13.2 secs Computing kpt #: 109 total cpu time spent up to now is 13.3 secs Computing kpt #: 110 total cpu time spent up to now is 13.4 secs Computing kpt #: 111 total cpu time spent up to now is 13.4 secs Computing kpt #: 112 total cpu time spent up to now is 13.5 secs Computing kpt #: 113 total cpu time spent up to now is 13.6 secs Computing kpt #: 114 total cpu time spent up to now is 13.7 secs Computing kpt #: 115 total cpu time spent up to now is 13.8 secs Computing kpt #: 116 total cpu time spent up to now is 13.8 secs Computing kpt #: 117 total cpu time spent up to now is 13.9 secs Computing kpt #: 118 total cpu time spent up to now is 14.0 secs Computing kpt #: 119 total cpu time spent up to now is 14.1 secs Computing kpt #: 120 total cpu time spent up to now is 14.2 secs Computing kpt #: 121 total cpu time spent up to now is 14.2 secs Computing kpt #: 122 total cpu time spent up to now is 14.3 secs Computing kpt #: 123 total cpu time spent up to now is 14.4 secs Computing kpt #: 124 total cpu time spent up to now is 14.5 secs Computing kpt #: 125 total cpu time spent up to now is 14.6 secs Computing kpt #: 126 total cpu time spent up to now is 14.6 secs Computing kpt #: 127 total cpu time spent up to now is 14.7 secs Computing kpt #: 128 total cpu time spent up to now is 14.8 secs Computing kpt #: 129 total cpu time spent up to now is 14.9 secs Computing kpt #: 130 total cpu time spent up to now is 14.9 secs Computing kpt #: 131 total cpu time spent up to now is 15.0 secs Computing kpt #: 132 total cpu time spent up to now is 15.1 secs Computing kpt #: 133 total cpu time spent up to now is 15.2 secs Computing kpt #: 134 total cpu time spent up to now is 15.3 secs Computing kpt #: 135 total cpu time spent up to now is 15.3 secs Computing kpt #: 136 total cpu time spent up to now is 15.4 secs Computing kpt #: 137 total cpu time spent up to now is 15.5 secs Computing kpt #: 138 total cpu time spent up to now is 15.6 secs Computing kpt #: 139 total cpu time spent up to now is 15.6 secs Computing kpt #: 140 total cpu time spent up to now is 15.7 secs Computing kpt #: 141 total cpu time spent up to now is 15.8 secs Computing kpt #: 142 total cpu time spent up to now is 15.9 secs Computing kpt #: 143 total cpu time spent up to now is 15.9 secs Computing kpt #: 144 total cpu time spent up to now is 16.0 secs Computing kpt #: 145 total cpu time spent up to now is 16.1 secs Computing kpt #: 146 total cpu time spent up to now is 16.2 secs Computing kpt #: 147 total cpu time spent up to now is 16.3 secs Computing kpt #: 148 total cpu time spent up to now is 16.3 secs Computing kpt #: 149 total cpu time spent up to now is 16.4 secs Computing kpt #: 150 total cpu time spent up to now is 16.5 secs Computing kpt #: 151 total cpu time spent up to now is 16.6 secs Computing kpt #: 152 total cpu time spent up to now is 16.7 secs Computing kpt #: 153 total cpu time spent up to now is 16.7 secs Computing kpt #: 154 total cpu time spent up to now is 16.8 secs Computing kpt #: 155 total cpu time spent up to now is 16.9 secs Computing kpt #: 156 total cpu time spent up to now is 17.0 secs Computing kpt #: 157 total cpu time spent up to now is 17.1 secs Computing kpt #: 158 total cpu time spent up to now is 17.2 secs Computing kpt #: 159 total cpu time spent up to now is 17.3 secs Computing kpt #: 160 total cpu time spent up to now is 17.4 secs Computing kpt #: 161 total cpu time spent up to now is 17.5 secs Computing kpt #: 162 total cpu time spent up to now is 17.6 secs Computing kpt #: 163 total cpu time spent up to now is 17.7 secs Computing kpt #: 164 total cpu time spent up to now is 17.9 secs Computing kpt #: 165 total cpu time spent up to now is 18.0 secs Computing kpt #: 166 total cpu time spent up to now is 18.1 secs Computing kpt #: 167 total cpu time spent up to now is 18.2 secs Computing kpt #: 168 total cpu time spent up to now is 18.3 secs Computing kpt #: 169 total cpu time spent up to now is 18.4 secs Computing kpt #: 170 total cpu time spent up to now is 18.5 secs Computing kpt #: 171 total cpu time spent up to now is 18.6 secs Computing kpt #: 172 total cpu time spent up to now is 18.7 secs Computing kpt #: 173 total cpu time spent up to now is 18.8 secs Computing kpt #: 174 total cpu time spent up to now is 18.9 secs Computing kpt #: 175 total cpu time spent up to now is 19.0 secs Computing kpt #: 176 total cpu time spent up to now is 19.1 secs Computing kpt #: 177 total cpu time spent up to now is 19.2 secs Computing kpt #: 178 total cpu time spent up to now is 19.3 secs Computing kpt #: 179 total cpu time spent up to now is 19.3 secs Computing kpt #: 180 total cpu time spent up to now is 19.4 secs Computing kpt #: 181 total cpu time spent up to now is 19.5 secs Computing kpt #: 182 total cpu time spent up to now is 19.6 secs Computing kpt #: 183 total cpu time spent up to now is 19.7 secs Computing kpt #: 184 total cpu time spent up to now is 19.8 secs Computing kpt #: 185 total cpu time spent up to now is 19.9 secs Computing kpt #: 186 total cpu time spent up to now is 20.0 secs Computing kpt #: 187 total cpu time spent up to now is 20.1 secs Computing kpt #: 188 total cpu time spent up to now is 20.1 secs Computing kpt #: 189 total cpu time spent up to now is 20.2 secs Computing kpt #: 190 total cpu time spent up to now is 20.3 secs Computing kpt #: 191 total cpu time spent up to now is 20.4 secs Computing kpt #: 192 total cpu time spent up to now is 20.5 secs Computing kpt #: 193 total cpu time spent up to now is 20.6 secs Computing kpt #: 194 total cpu time spent up to now is 20.7 secs Computing kpt #: 195 total cpu time spent up to now is 20.8 secs Computing kpt #: 196 total cpu time spent up to now is 20.9 secs Computing kpt #: 197 total cpu time spent up to now is 21.0 secs Computing kpt #: 198 total cpu time spent up to now is 21.1 secs Computing kpt #: 199 total cpu time spent up to now is 21.2 secs Computing kpt #: 200 total cpu time spent up to now is 21.3 secs Computing kpt #: 201 total cpu time spent up to now is 21.4 secs Computing kpt #: 202 total cpu time spent up to now is 21.5 secs Computing kpt #: 203 total cpu time spent up to now is 21.6 secs Computing kpt #: 204 total cpu time spent up to now is 21.7 secs Computing kpt #: 205 total cpu time spent up to now is 21.7 secs Computing kpt #: 206 total cpu time spent up to now is 21.8 secs Computing kpt #: 207 total cpu time spent up to now is 21.9 secs Computing kpt #: 208 total cpu time spent up to now is 22.0 secs Computing kpt #: 209 total cpu time spent up to now is 22.1 secs Computing kpt #: 210 total cpu time spent up to now is 22.2 secs Computing kpt #: 211 total cpu time spent up to now is 22.2 secs Computing kpt #: 212 total cpu time spent up to now is 22.3 secs Computing kpt #: 213 total cpu time spent up to now is 22.4 secs Computing kpt #: 214 total cpu time spent up to now is 22.5 secs Computing kpt #: 215 total cpu time spent up to now is 22.6 secs Computing kpt #: 216 total cpu time spent up to now is 22.7 secs Computing kpt #: 217 total cpu time spent up to now is 22.7 secs Computing kpt #: 218 total cpu time spent up to now is 22.8 secs Computing kpt #: 219 total cpu time spent up to now is 22.9 secs Computing kpt #: 220 total cpu time spent up to now is 23.0 secs Computing kpt #: 221 total cpu time spent up to now is 23.1 secs Computing kpt #: 222 total cpu time spent up to now is 23.2 secs Computing kpt #: 223 total cpu time spent up to now is 23.2 secs Computing kpt #: 224 total cpu time spent up to now is 23.3 secs Computing kpt #: 225 total cpu time spent up to now is 23.4 secs Computing kpt #: 226 total cpu time spent up to now is 23.5 secs Computing kpt #: 227 total cpu time spent up to now is 23.6 secs Computing kpt #: 228 total cpu time spent up to now is 23.7 secs Computing kpt #: 229 total cpu time spent up to now is 23.7 secs Computing kpt #: 230 total cpu time spent up to now is 23.8 secs Computing kpt #: 231 total cpu time spent up to now is 23.9 secs Computing kpt #: 232 total cpu time spent up to now is 24.0 secs Computing kpt #: 233 total cpu time spent up to now is 24.1 secs Computing kpt #: 234 total cpu time spent up to now is 24.1 secs Computing kpt #: 235 total cpu time spent up to now is 24.2 secs Computing kpt #: 236 total cpu time spent up to now is 24.3 secs Computing kpt #: 237 total cpu time spent up to now is 24.4 secs Computing kpt #: 238 total cpu time spent up to now is 24.5 secs Computing kpt #: 239 total cpu time spent up to now is 24.6 secs Computing kpt #: 240 total cpu time spent up to now is 24.6 secs Computing kpt #: 241 total cpu time spent up to now is 24.7 secs Computing kpt #: 242 total cpu time spent up to now is 24.8 secs Computing kpt #: 243 total cpu time spent up to now is 24.9 secs Computing kpt #: 244 total cpu time spent up to now is 25.0 secs Computing kpt #: 245 total cpu time spent up to now is 25.0 secs Computing kpt #: 246 total cpu time spent up to now is 25.1 secs Computing kpt #: 247 total cpu time spent up to now is 25.2 secs Computing kpt #: 248 total cpu time spent up to now is 25.3 secs Computing kpt #: 249 total cpu time spent up to now is 25.4 secs Computing kpt #: 250 total cpu time spent up to now is 25.5 secs Computing kpt #: 251 total cpu time spent up to now is 25.6 secs Computing kpt #: 252 total cpu time spent up to now is 25.6 secs Computing kpt #: 253 total cpu time spent up to now is 25.7 secs Computing kpt #: 254 total cpu time spent up to now is 25.8 secs Computing kpt #: 255 total cpu time spent up to now is 25.9 secs Computing kpt #: 256 total cpu time spent up to now is 26.0 secs Computing kpt #: 257 total cpu time spent up to now is 26.1 secs Computing kpt #: 258 total cpu time spent up to now is 26.2 secs Computing kpt #: 259 total cpu time spent up to now is 26.2 secs Computing kpt #: 260 total cpu time spent up to now is 26.3 secs Computing kpt #: 261 total cpu time spent up to now is 26.4 secs Computing kpt #: 262 total cpu time spent up to now is 26.5 secs Computing kpt #: 263 total cpu time spent up to now is 26.6 secs Computing kpt #: 264 total cpu time spent up to now is 26.7 secs Computing kpt #: 265 total cpu time spent up to now is 26.7 secs Computing kpt #: 266 total cpu time spent up to now is 26.8 secs Computing kpt #: 267 total cpu time spent up to now is 26.9 secs Computing kpt #: 268 total cpu time spent up to now is 27.0 secs Computing kpt #: 269 total cpu time spent up to now is 27.1 secs Computing kpt #: 270 total cpu time spent up to now is 27.1 secs Computing kpt #: 271 total cpu time spent up to now is 27.2 secs Computing kpt #: 272 total cpu time spent up to now is 27.3 secs Computing kpt #: 273 total cpu time spent up to now is 27.4 secs Computing kpt #: 274 total cpu time spent up to now is 27.5 secs Computing kpt #: 275 total cpu time spent up to now is 27.5 secs Computing kpt #: 276 total cpu time spent up to now is 27.6 secs Computing kpt #: 277 total cpu time spent up to now is 27.7 secs Computing kpt #: 278 total cpu time spent up to now is 27.8 secs Computing kpt #: 279 total cpu time spent up to now is 27.9 secs Computing kpt #: 280 total cpu time spent up to now is 27.9 secs Computing kpt #: 281 total cpu time spent up to now is 28.0 secs Computing kpt #: 282 total cpu time spent up to now is 28.1 secs Computing kpt #: 283 total cpu time spent up to now is 28.2 secs Computing kpt #: 284 total cpu time spent up to now is 28.2 secs Computing kpt #: 285 total cpu time spent up to now is 28.3 secs Computing kpt #: 286 total cpu time spent up to now is 28.4 secs Computing kpt #: 287 total cpu time spent up to now is 28.5 secs Computing kpt #: 288 total cpu time spent up to now is 28.6 secs Computing kpt #: 289 total cpu time spent up to now is 28.6 secs Computing kpt #: 290 total cpu time spent up to now is 28.7 secs Computing kpt #: 291 total cpu time spent up to now is 28.8 secs Computing kpt #: 292 total cpu time spent up to now is 28.9 secs Computing kpt #: 293 total cpu time spent up to now is 29.0 secs Computing kpt #: 294 total cpu time spent up to now is 29.0 secs Computing kpt #: 295 total cpu time spent up to now is 29.1 secs Computing kpt #: 296 total cpu time spent up to now is 29.2 secs Computing kpt #: 297 total cpu time spent up to now is 29.3 secs Computing kpt #: 298 total cpu time spent up to now is 29.4 secs Computing kpt #: 299 total cpu time spent up to now is 29.4 secs Computing kpt #: 300 total cpu time spent up to now is 29.5 secs Computing kpt #: 301 total cpu time spent up to now is 29.6 secs Computing kpt #: 302 total cpu time spent up to now is 29.7 secs Computing kpt #: 303 total cpu time spent up to now is 29.7 secs Computing kpt #: 304 total cpu time spent up to now is 29.8 secs Computing kpt #: 305 total cpu time spent up to now is 29.9 secs Computing kpt #: 306 total cpu time spent up to now is 30.0 secs Computing kpt #: 307 total cpu time spent up to now is 30.1 secs Computing kpt #: 308 total cpu time spent up to now is 30.1 secs Computing kpt #: 309 total cpu time spent up to now is 30.2 secs Computing kpt #: 310 total cpu time spent up to now is 30.3 secs Computing kpt #: 311 total cpu time spent up to now is 30.4 secs Computing kpt #: 312 total cpu time spent up to now is 30.5 secs Computing kpt #: 313 total cpu time spent up to now is 30.5 secs Computing kpt #: 314 total cpu time spent up to now is 30.6 secs Computing kpt #: 315 total cpu time spent up to now is 30.7 secs Computing kpt #: 316 total cpu time spent up to now is 30.8 secs Computing kpt #: 317 total cpu time spent up to now is 30.8 secs Computing kpt #: 318 total cpu time spent up to now is 30.9 secs Computing kpt #: 319 total cpu time spent up to now is 31.0 secs Computing kpt #: 320 total cpu time spent up to now is 31.1 secs Computing kpt #: 321 total cpu time spent up to now is 31.2 secs Computing kpt #: 322 total cpu time spent up to now is 31.2 secs Computing kpt #: 323 total cpu time spent up to now is 31.3 secs Computing kpt #: 324 total cpu time spent up to now is 31.4 secs Computing kpt #: 325 total cpu time spent up to now is 31.5 secs Computing kpt #: 326 total cpu time spent up to now is 31.6 secs Computing kpt #: 327 total cpu time spent up to now is 31.7 secs Computing kpt #: 328 total cpu time spent up to now is 31.8 secs Computing kpt #: 329 total cpu time spent up to now is 31.8 secs Computing kpt #: 330 total cpu time spent up to now is 31.9 secs Computing kpt #: 331 total cpu time spent up to now is 32.0 secs Computing kpt #: 332 total cpu time spent up to now is 32.1 secs Computing kpt #: 333 total cpu time spent up to now is 32.2 secs Computing kpt #: 334 total cpu time spent up to now is 32.3 secs Computing kpt #: 335 total cpu time spent up to now is 32.4 secs Computing kpt #: 336 total cpu time spent up to now is 32.4 secs Computing kpt #: 337 total cpu time spent up to now is 32.5 secs Computing kpt #: 338 total cpu time spent up to now is 32.6 secs Computing kpt #: 339 total cpu time spent up to now is 32.7 secs Computing kpt #: 340 total cpu time spent up to now is 32.8 secs Computing kpt #: 341 total cpu time spent up to now is 32.8 secs Computing kpt #: 342 total cpu time spent up to now is 32.9 secs Computing kpt #: 343 total cpu time spent up to now is 33.0 secs Computing kpt #: 344 total cpu time spent up to now is 33.1 secs Computing kpt #: 345 total cpu time spent up to now is 33.2 secs Computing kpt #: 346 total cpu time spent up to now is 33.3 secs Computing kpt #: 347 total cpu time spent up to now is 33.3 secs Computing kpt #: 348 total cpu time spent up to now is 33.4 secs Computing kpt #: 349 total cpu time spent up to now is 33.5 secs Computing kpt #: 350 total cpu time spent up to now is 33.6 secs Computing kpt #: 351 total cpu time spent up to now is 33.7 secs Computing kpt #: 352 total cpu time spent up to now is 33.7 secs Computing kpt #: 353 total cpu time spent up to now is 33.8 secs Computing kpt #: 354 total cpu time spent up to now is 33.9 secs Computing kpt #: 355 total cpu time spent up to now is 34.0 secs Computing kpt #: 356 total cpu time spent up to now is 34.1 secs Computing kpt #: 357 total cpu time spent up to now is 34.2 secs Computing kpt #: 358 total cpu time spent up to now is 34.3 secs Computing kpt #: 359 total cpu time spent up to now is 34.4 secs Computing kpt #: 360 total cpu time spent up to now is 34.4 secs Computing kpt #: 361 total cpu time spent up to now is 34.5 secs Computing kpt #: 362 total cpu time spent up to now is 34.6 secs Computing kpt #: 363 total cpu time spent up to now is 34.7 secs Computing kpt #: 364 total cpu time spent up to now is 34.8 secs Computing kpt #: 365 total cpu time spent up to now is 34.9 secs Computing kpt #: 366 total cpu time spent up to now is 35.0 secs Computing kpt #: 367 total cpu time spent up to now is 35.0 secs Computing kpt #: 368 total cpu time spent up to now is 35.1 secs Computing kpt #: 369 total cpu time spent up to now is 35.2 secs Computing kpt #: 370 total cpu time spent up to now is 35.3 secs Computing kpt #: 371 total cpu time spent up to now is 35.4 secs Computing kpt #: 372 total cpu time spent up to now is 35.4 secs Computing kpt #: 373 total cpu time spent up to now is 35.5 secs Computing kpt #: 374 total cpu time spent up to now is 35.6 secs Computing kpt #: 375 total cpu time spent up to now is 35.7 secs Computing kpt #: 376 total cpu time spent up to now is 35.8 secs Computing kpt #: 377 total cpu time spent up to now is 35.8 secs Computing kpt #: 378 total cpu time spent up to now is 35.9 secs Computing kpt #: 379 total cpu time spent up to now is 36.0 secs Computing kpt #: 380 total cpu time spent up to now is 36.1 secs Computing kpt #: 381 total cpu time spent up to now is 36.2 secs Computing kpt #: 382 total cpu time spent up to now is 36.2 secs Computing kpt #: 383 total cpu time spent up to now is 36.3 secs Computing kpt #: 384 total cpu time spent up to now is 36.4 secs Computing kpt #: 385 total cpu time spent up to now is 36.5 secs Computing kpt #: 386 total cpu time spent up to now is 36.6 secs Computing kpt #: 387 total cpu time spent up to now is 36.6 secs Computing kpt #: 388 total cpu time spent up to now is 36.7 secs Computing kpt #: 389 total cpu time spent up to now is 36.8 secs Computing kpt #: 390 total cpu time spent up to now is 36.9 secs Computing kpt #: 391 total cpu time spent up to now is 37.0 secs Computing kpt #: 392 total cpu time spent up to now is 37.1 secs Computing kpt #: 393 total cpu time spent up to now is 37.2 secs Computing kpt #: 394 total cpu time spent up to now is 37.3 secs Computing kpt #: 395 total cpu time spent up to now is 37.3 secs Computing kpt #: 396 total cpu time spent up to now is 37.4 secs Computing kpt #: 397 total cpu time spent up to now is 37.5 secs Computing kpt #: 398 total cpu time spent up to now is 37.6 secs Computing kpt #: 399 total cpu time spent up to now is 37.7 secs Computing kpt #: 400 total cpu time spent up to now is 37.8 secs Computing kpt #: 401 total cpu time spent up to now is 38.0 secs Computing kpt #: 402 total cpu time spent up to now is 38.1 secs Computing kpt #: 403 total cpu time spent up to now is 38.2 secs ethr = 6.25E-08, avg # of iterations = 14.6 total cpu time spent up to now is 38.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1837 PWs) bands (ev): -68.4908 -68.4908 -35.4302 -35.4302 -35.1419 -35.1419 -35.1419 -35.1419 -6.4420 -6.4420 6.1575 6.1575 6.2512 6.2512 6.2512 6.2512 9.9387 9.9387 14.1390 14.1390 14.1390 14.1390 14.1397 14.1397 k = 0.0082-0.0047 0.0067 ( 1837 PWs) bands (ev): -68.4908 -68.4908 -35.4302 -35.4302 -35.1419 -35.1419 -35.1419 -35.1419 -6.4411 -6.4411 6.1545 6.1545 6.2467 6.2467 6.2496 6.2496 9.9454 9.9454 14.1337 14.1337 14.1421 14.1421 14.1426 14.1426 k = 0.0164-0.0095 0.0134 ( 1828 PWs) bands (ev): -68.4908 -68.4908 -35.4302 -35.4302 -35.1419 -35.1419 -35.1419 -35.1419 -6.4385 -6.4385 6.1450 6.1450 6.2339 6.2339 6.2449 6.2449 9.9656 9.9656 14.1171 14.1171 14.1513 14.1513 14.1519 14.1519 k = 0.0246-0.0142 0.0201 ( 1828 PWs) bands (ev): -68.4908 -68.4908 -35.4302 -35.4302 -35.1419 -35.1419 -35.1419 -35.1419 -6.4340 -6.4340 6.1273 6.1273 6.2149 6.2149 6.2371 6.2371 9.9987 9.9987 14.0899 14.0899 14.1667 14.1667 14.1674 14.1674 k = 0.0328-0.0189 0.0268 ( 1824 PWs) bands (ev): -68.4908 -68.4908 -35.4302 -35.4302 -35.1419 -35.1419 -35.1419 -35.1419 -6.4278 -6.4278 6.0989 6.0989 6.1928 6.1928 6.2262 6.2262 10.0441 10.0441 14.0526 14.0526 14.1880 14.1880 14.1890 14.1890 k = 0.0410-0.0237 0.0335 ( 1824 PWs) bands (ev): -68.4908 -68.4908 -35.4302 -35.4302 -35.1420 -35.1420 -35.1419 -35.1419 -6.4198 -6.4198 6.0582 6.0582 6.1702 6.1702 6.2123 6.2123 10.1009 10.1009 14.0059 14.0059 14.2153 14.2153 14.2165 14.2165 k = 0.0492-0.0284 0.0402 ( 1824 PWs) bands (ev): -68.4908 -68.4908 -35.4303 -35.4303 -35.1420 -35.1420 -35.1419 -35.1419 -6.4101 -6.4101 6.0057 6.0057 6.1477 6.1477 6.1955 6.1955 10.1680 10.1680 13.9508 13.9508 14.2484 14.2484 14.2500 14.2500 k = 0.0574-0.0331 0.0468 ( 1832 PWs) bands (ev): -68.4908 -68.4908 -35.4303 -35.4303 -35.1421 -35.1421 -35.1420 -35.1420 -6.3987 -6.3987 5.9430 5.9430 6.1245 6.1245 6.1759 6.1759 10.2444 10.2444 13.8882 13.8882 14.2872 14.2872 14.2892 14.2892 k = 0.0656-0.0379 0.0535 ( 1832 PWs) bands (ev): -68.4908 -68.4908 -35.4304 -35.4304 -35.1421 -35.1421 -35.1420 -35.1420 -6.3855 -6.3855 5.8719 5.8719 6.1000 6.1000 6.1536 6.1536 10.3290 10.3290 13.8189 13.8189 14.3316 14.3316 14.3340 14.3340 k = 0.0738-0.0426 0.0602 ( 1836 PWs) bands (ev): -68.4908 -68.4908 -35.4304 -35.4304 -35.1422 -35.1422 -35.1420 -35.1420 -6.3706 -6.3706 5.7940 5.7940 6.0738 6.0738 6.1288 6.1288 10.4205 10.4205 13.7439 13.7439 14.3813 14.3813 14.3843 14.3843 k = 0.0820-0.0473 0.0669 ( 1836 PWs) bands (ev): -68.4908 -68.4908 -35.4305 -35.4305 -35.1423 -35.1423 -35.1420 -35.1420 -6.3540 -6.3540 5.7103 5.7103 6.0457 6.0457 6.1016 6.1016 10.5179 10.5179 13.6641 13.6641 14.4363 14.4363 14.4398 14.4398 k = 0.0902-0.0521 0.0736 ( 1836 PWs) bands (ev): -68.4908 -68.4908 -35.4305 -35.4305 -35.1423 -35.1423 -35.1421 -35.1421 -6.3358 -6.3358 5.6220 5.6220 6.0157 6.0157 6.0722 6.0722 10.6200 10.6200 13.5803 13.5803 14.4963 14.4963 14.5003 14.5003 k = 0.0984-0.0568 0.0803 ( 1840 PWs) bands (ev): -68.4908 -68.4908 -35.4306 -35.4306 -35.1424 -35.1424 -35.1421 -35.1421 -6.3160 -6.3160 5.5297 5.5297 5.9838 5.9838 6.0406 6.0406 10.7257 10.7257 13.4932 13.4932 14.5610 14.5610 14.5658 14.5658 k = 0.1066-0.0615 0.0870 ( 1840 PWs) bands (ev): -68.4907 -68.4907 -35.4306 -35.4306 -35.1425 -35.1425 -35.1422 -35.1422 -6.2945 -6.2945 5.4343 5.4343 5.9503 5.9503 6.0072 6.0072 10.8337 10.8337 13.4036 13.4036 14.6304 14.6304 14.6358 14.6358 k = 0.1148-0.0663 0.0937 ( 1832 PWs) bands (ev): -68.4907 -68.4907 -35.4307 -35.4307 -35.1426 -35.1426 -35.1422 -35.1422 -6.2715 -6.2715 5.3364 5.3364 5.9150 5.9150 5.9720 5.9720 10.9429 10.9429 13.3120 13.3120 14.7042 14.7042 14.7103 14.7103 k = 0.1230-0.0710 0.1004 ( 1832 PWs) bands (ev): -68.4907 -68.4907 -35.4307 -35.4307 -35.1426 -35.1426 -35.1422 -35.1422 -6.2469 -6.2469 5.2365 5.2365 5.8783 5.8783 5.9353 5.9353 11.0518 11.0518 13.2189 13.2189 14.7644 14.7644 14.7823 14.7823 k = 0.1311-0.0757 0.1071 ( 1836 PWs) bands (ev): -68.4907 -68.4907 -35.4308 -35.4308 -35.1427 -35.1427 -35.1423 -35.1423 -6.2208 -6.2208 5.1350 5.1350 5.8403 5.8403 5.8971 5.8971 11.1588 11.1588 13.1249 13.1249 14.6229 14.6229 14.8640 14.8640 k = 0.1393-0.0805 0.1138 ( 1836 PWs) bands (ev): -68.4907 -68.4907 -35.4309 -35.4309 -35.1428 -35.1428 -35.1424 -35.1424 -6.1932 -6.1932 5.0325 5.0325 5.8010 5.8010 5.8576 5.8576 11.2623 11.2623 13.0304 13.0304 14.4881 14.4881 14.9495 14.9495 k = 0.1475-0.0852 0.1205 ( 1836 PWs) bands (ev): -68.4907 -68.4907 -35.4310 -35.4310 -35.1429 -35.1429 -35.1424 -35.1424 -6.1643 -6.1643 4.9292 4.9292 5.7607 5.7607 5.8172 5.8172 11.3600 11.3600 12.9356 12.9356 14.3623 14.3623 15.0386 15.0386 k = 0.1557-0.0899 0.1272 ( 1828 PWs) bands (ev): -68.4907 -68.4907 -35.4310 -35.4310 -35.1430 -35.1430 -35.1425 -35.1425 -6.1339 -6.1339 4.8255 4.8255 5.7196 5.7196 5.7758 5.7758 11.4494 11.4494 12.8411 12.8411 14.2484 14.2484 15.1309 15.1309 k = 0.1639-0.0946 0.1339 ( 1832 PWs) bands (ev): -68.4907 -68.4907 -35.4311 -35.4311 -35.1431 -35.1431 -35.1425 -35.1425 -6.1022 -6.1022 4.7216 4.7216 5.6777 5.6777 5.7336 5.7336 11.5276 11.5276 12.7469 12.7469 14.1488 14.1488 15.2262 15.2263 k = 0.1721-0.0994 0.1405 ( 1832 PWs) bands (ev): -68.4907 -68.4907 -35.4312 -35.4312 -35.1432 -35.1432 -35.1426 -35.1426 -6.0693 -6.0693 4.6179 4.6179 5.6351 5.6351 5.6908 5.6908 11.5914 11.5914 12.6535 12.6535 14.0673 14.0673 15.3244 15.3244 k = 0.1803-0.1041 0.1472 ( 1832 PWs) bands (ev): -68.4907 -68.4907 -35.4313 -35.4313 -35.1433 -35.1433 -35.1426 -35.1426 -6.0351 -6.0351 4.5144 4.5144 5.5922 5.5922 5.6476 5.6476 11.6375 11.6375 12.5610 12.5610 14.0071 14.0071 15.4252 15.4252 k = 0.1885-0.1088 0.1539 ( 1824 PWs) bands (ev): -68.4906 -68.4906 -35.4313 -35.4313 -35.1434 -35.1434 -35.1427 -35.1427 -5.9998 -5.9998 4.4115 4.4115 5.5489 5.5489 5.6040 5.6040 11.6630 11.6630 12.4695 12.4695 13.9711 13.9711 15.5286 15.5286 k = 0.1967-0.1136 0.1606 ( 1824 PWs) bands (ev): -68.4906 -68.4906 -35.4314 -35.4314 -35.1436 -35.1436 -35.1427 -35.1427 -5.9634 -5.9634 4.3093 4.3093 5.5055 5.5055 5.5603 5.5603 11.6659 11.6659 12.3794 12.3794 13.9611 13.9611 15.6341 15.6341 k = 0.2049-0.1183 0.1673 ( 1824 PWs) bands (ev): -68.4906 -68.4906 -35.4315 -35.4315 -35.1437 -35.1437 -35.1428 -35.1428 -5.9259 -5.9259 4.2080 4.2080 5.4620 5.4620 5.5165 5.5165 11.6462 11.6462 12.2907 12.2907 13.9777 13.9777 15.7417 15.7417 k = 0.2131-0.1230 0.1740 ( 1820 PWs) bands (ev): -68.4906 -68.4906 -35.4316 -35.4316 -35.1438 -35.1438 -35.1428 -35.1428 -5.8875 -5.8875 4.1077 4.1077 5.4185 5.4185 5.4728 5.4728 11.6049 11.6049 12.2036 12.2036 14.0195 14.0195 15.8512 15.8512 k = 0.2213-0.1278 0.1807 ( 1820 PWs) bands (ev): -68.4906 -68.4906 -35.4317 -35.4317 -35.1439 -35.1439 -35.1429 -35.1429 -5.8482 -5.8482 4.0085 4.0085 5.3753 5.3753 5.4292 5.4292 11.5448 11.5448 12.1181 12.1181 14.0839 14.0839 15.9625 15.9625 k = 0.2295-0.1325 0.1874 ( 1820 PWs) bands (ev): -68.4906 -68.4906 -35.4317 -35.4317 -35.1440 -35.1440 -35.1430 -35.1430 -5.8081 -5.8081 3.9106 3.9106 5.3323 5.3323 5.3860 5.3860 11.4689 11.4689 12.0345 12.0345 14.1679 14.1679 16.0753 16.0753 k = 0.2377-0.1372 0.1941 ( 1820 PWs) bands (ev): -68.4906 -68.4906 -35.4318 -35.4318 -35.1441 -35.1441 -35.1430 -35.1430 -5.7672 -5.7672 3.8140 3.8140 5.2897 5.2897 5.3431 5.3431 11.3807 11.3807 11.9527 11.9527 14.2680 14.2680 16.1896 16.1896 k = 0.2459-0.1420 0.2008 ( 1828 PWs) bands (ev): -68.4906 -68.4906 -35.4320 -35.4320 -35.1443 -35.1443 -35.1431 -35.1431 -5.7257 -5.7257 3.7190 3.7190 5.2477 5.2477 5.3008 5.3008 11.2831 11.2831 11.8730 11.8730 14.3813 14.3813 16.3052 16.3052 k = 0.2541-0.1467 0.2075 ( 1828 PWs) bands (ev): -68.4906 -68.4906 -35.4321 -35.4321 -35.1444 -35.1444 -35.1432 -35.1432 -5.6837 -5.6837 3.6256 3.6256 5.2061 5.2061 5.2590 5.2590 11.1788 11.1788 11.7952 11.7952 14.5054 14.5054 16.4220 16.4220 k = 0.2623-0.1514 0.2142 ( 1824 PWs) bands (ev): -68.4906 -68.4906 -35.4321 -35.4321 -35.1445 -35.1445 -35.1432 -35.1432 -5.6412 -5.6412 3.5339 3.5339 5.1653 5.1653 5.2179 5.2179 11.0699 11.0699 11.7197 11.7197 14.6380 14.6380 16.5399 16.5400 k = 0.2705-0.1562 0.2209 ( 1824 PWs) bands (ev): -68.4905 -68.4905 -35.4322 -35.4322 -35.1447 -35.1447 -35.1433 -35.1433 -5.5984 -5.5984 3.4439 3.4439 5.1252 5.1252 5.1776 5.1776 10.9580 10.9580 11.6462 11.6462 14.7774 14.7774 16.6588 16.6588 k = 0.2787-0.1609 0.2275 ( 1824 PWs) bands (ev): -68.4905 -68.4905 -35.4323 -35.4323 -35.1448 -35.1448 -35.1433 -35.1433 -5.5553 -5.5553 3.3559 3.3559 5.0860 5.0860 5.1381 5.1381 10.8447 10.8447 11.5751 11.5751 14.9222 14.9222 16.7786 16.7786 k = 0.2869-0.1656 0.2342 ( 1824 PWs) bands (ev): -68.4905 -68.4905 -35.4324 -35.4324 -35.1449 -35.1449 -35.1434 -35.1434 -5.5121 -5.5121 3.2699 3.2699 5.0476 5.0476 5.0995 5.0995 10.7310 10.7310 11.5062 11.5062 15.0713 15.0713 16.8992 16.8992 k = 0.2951-0.1704 0.2409 ( 1824 PWs) bands (ev): -68.4905 -68.4905 -35.4325 -35.4325 -35.1450 -35.1450 -35.1435 -35.1435 -5.4688 -5.4688 3.1859 3.1859 5.0103 5.0103 5.0619 5.0619 10.6178 10.6178 11.4396 11.4396 15.2238 15.2238 17.0205 17.0205 k = 0.3033-0.1751 0.2476 ( 1820 PWs) bands (ev): -68.4905 -68.4905 -35.4326 -35.4326 -35.1451 -35.1451 -35.1436 -35.1436 -5.4257 -5.4257 3.1041 3.1041 4.9739 4.9739 5.0254 5.0254 10.5058 10.5058 11.3754 11.3754 15.3789 15.3789 17.1424 17.1424 k = 0.3115-0.1798 0.2543 ( 1820 PWs) bands (ev): -68.4905 -68.4905 -35.4326 -35.4326 -35.1452 -35.1452 -35.1436 -35.1436 -5.3827 -5.3827 3.0245 3.0245 4.9386 4.9386 4.9899 4.9899 10.3957 10.3957 11.3137 11.3137 15.5359 15.5359 17.2649 17.2649 k = 0.3197-0.1846 0.2610 ( 1820 PWs) bands (ev): -68.4905 -68.4905 -35.4327 -35.4327 -35.1453 -35.1453 -35.1437 -35.1437 -5.3401 -5.3401 2.9473 2.9473 4.9045 4.9045 4.9556 4.9556 10.2880 10.2880 11.2543 11.2543 15.6942 15.6942 17.3879 17.3879 k = 0.3279-0.1893 0.2677 ( 1820 PWs) bands (ev): -68.4905 -68.4905 -35.4328 -35.4328 -35.1454 -35.1454 -35.1437 -35.1437 -5.2980 -5.2980 2.8725 2.8725 4.8716 4.8716 4.9225 4.9225 10.1830 10.1830 11.1975 11.1975 15.8533 15.8533 17.5112 17.5112 k = 0.3361-0.1940 0.2744 ( 1820 PWs) bands (ev): -68.4905 -68.4905 -35.4329 -35.4329 -35.1456 -35.1456 -35.1438 -35.1438 -5.2565 -5.2565 2.8003 2.8003 4.8399 4.8399 4.8907 4.8907 10.0811 10.0811 11.1431 11.1431 16.0127 16.0127 17.6351 17.6351 k = 0.3443-0.1988 0.2811 ( 1820 PWs) bands (ev): -68.4904 -68.4904 -35.4330 -35.4330 -35.1457 -35.1457 -35.1438 -35.1438 -5.2157 -5.2157 2.7307 2.7307 4.8096 4.8096 4.8601 4.8601 9.9827 9.9827 11.0913 11.0913 16.1719 16.1719 17.7589 17.7589 k = 0.3525-0.2035 0.2878 ( 1816 PWs) bands (ev): -68.4904 -68.4904 -35.4330 -35.4330 -35.1457 -35.1457 -35.1439 -35.1439 -5.1758 -5.1758 2.6638 2.6638 4.7805 4.7805 4.8310 4.8310 9.8880 9.8880 11.0420 11.0420 16.3304 16.3304 17.8829 17.8829 k = 0.3607-0.2082 0.2945 ( 1804 PWs) bands (ev): -68.4904 -68.4904 -35.4331 -35.4331 -35.1458 -35.1458 -35.1439 -35.1439 -5.1369 -5.1369 2.5998 2.5998 4.7529 4.7529 4.8031 4.8031 9.7974 9.7974 10.9953 10.9953 16.4878 16.4878 18.0068 18.0068 k = 0.3689-0.2130 0.3012 ( 1804 PWs) bands (ev): -68.4904 -68.4904 -35.4331 -35.4331 -35.1459 -35.1459 -35.1439 -35.1439 -5.0992 -5.0992 2.5386 2.5386 4.7266 4.7266 4.7767 4.7767 9.7110 9.7110 10.9511 10.9511 16.6433 16.6433 18.1306 18.1306 k = 0.3770-0.2177 0.3079 ( 1796 PWs) bands (ev): -68.4904 -68.4904 -35.4332 -35.4332 -35.1459 -35.1459 -35.1440 -35.1440 -5.0629 -5.0629 2.4805 2.4805 4.7018 4.7018 4.7518 4.7518 9.6289 9.6289 10.9096 10.9096 16.7965 16.7965 18.2540 18.2540 k = 0.3852-0.2224 0.3146 ( 1796 PWs) bands (ev): -68.4904 -68.4904 -35.4332 -35.4332 -35.1460 -35.1460 -35.1440 -35.1440 -5.0280 -5.0280 2.4256 2.4256 4.6784 4.6784 4.7283 4.7283 9.5514 9.5514 10.8707 10.8707 16.9468 16.9468 18.3767 18.3768 k = 0.3934-0.2272 0.3212 ( 1796 PWs) bands (ev): -68.4904 -68.4904 -35.4333 -35.4333 -35.1461 -35.1461 -35.1441 -35.1441 -4.9947 -4.9947 2.3738 2.3738 4.6565 4.6565 4.7063 4.7063 9.4786 9.4786 10.8344 10.8344 17.0934 17.0934 18.4985 18.4986 k = 0.4016-0.2319 0.3279 ( 1804 PWs) bands (ev): -68.4904 -68.4904 -35.4333 -35.4333 -35.1462 -35.1462 -35.1441 -35.1441 -4.9632 -4.9632 2.3253 2.3253 4.6362 4.6362 4.6859 4.6859 9.4107 9.4107 10.8007 10.8007 17.2357 17.2357 18.5611 18.5611 k = 0.4098-0.2366 0.3346 ( 1788 PWs) bands (ev): -68.4904 -68.4904 -35.4333 -35.4333 -35.1462 -35.1462 -35.1441 -35.1441 -4.9336 -4.9336 2.2803 2.2803 4.6174 4.6174 4.6671 4.6671 9.3478 9.3478 10.7697 10.7697 17.3728 17.3728 18.6093 18.6094 k = 0.4180-0.2414 0.3413 ( 1788 PWs) bands (ev): -68.4904 -68.4904 -35.4334 -35.4334 -35.1462 -35.1462 -35.1441 -35.1441 -4.9060 -4.9060 2.2389 2.2389 4.6002 4.6002 4.6497 4.6497 9.2899 9.2899 10.7414 10.7414 17.5038 17.5038 18.6545 18.6545 k = 0.4262-0.2461 0.3480 ( 1796 PWs) bands (ev): -68.4904 -68.4904 -35.4335 -35.4335 -35.1463 -35.1463 -35.1442 -35.1442 -4.8806 -4.8806 2.2010 2.2010 4.5846 4.5846 4.6340 4.6340 9.2373 9.2373 10.7158 10.7158 17.6275 17.6275 18.6964 18.6964 k = 0.4344-0.2508 0.3547 ( 1796 PWs) bands (ev): -68.4904 -68.4904 -35.4335 -35.4335 -35.1464 -35.1464 -35.1442 -35.1442 -4.8575 -4.8575 2.1668 2.1668 4.5705 4.5705 4.6199 4.6199 9.1899 9.1899 10.6928 10.6928 17.7431 17.7431 18.7348 18.7348 k = 0.4426-0.2555 0.3614 ( 1796 PWs) bands (ev): -68.4903 -68.4903 -35.4335 -35.4335 -35.1464 -35.1464 -35.1442 -35.1442 -4.8368 -4.8368 2.1365 2.1365 4.5581 4.5581 4.6074 4.6074 9.1480 9.1480 10.6725 10.6725 17.8494 17.8494 18.7695 18.7695 k = 0.4508-0.2603 0.3681 ( 1796 PWs) bands (ev): -68.4903 -68.4903 -35.4335 -35.4335 -35.1465 -35.1465 -35.1442 -35.1442 -4.8187 -4.8187 2.1100 2.1100 4.5473 4.5473 4.5966 4.5966 9.1115 9.1115 10.6549 10.6549 17.9450 17.9450 18.8001 18.8001 k = 0.4590-0.2650 0.3748 ( 1780 PWs) bands (ev): -68.4903 -68.4903 -35.4335 -35.4335 -35.1465 -35.1465 -35.1442 -35.1442 -4.8032 -4.8032 2.0875 2.0875 4.5382 4.5382 4.5874 4.5874 9.0806 9.0806 10.6401 10.6401 18.0288 18.0288 18.8265 18.8265 k = 0.4672-0.2697 0.3815 ( 1780 PWs) bands (ev): -68.4903 -68.4903 -35.4335 -35.4335 -35.1465 -35.1465 -35.1442 -35.1442 -4.7903 -4.7903 2.0689 2.0689 4.5307 4.5307 4.5799 4.5799 9.0551 9.0551 10.6279 10.6279 18.0994 18.0994 18.8483 18.8483 k = 0.4754-0.2745 0.3882 ( 1776 PWs) bands (ev): -68.4903 -68.4903 -35.4335 -35.4335 -35.1465 -35.1465 -35.1442 -35.1442 -4.7803 -4.7803 2.0545 2.0545 4.5248 4.5248 4.5740 4.5740 9.0353 9.0353 10.6184 10.6184 18.1558 18.1558 18.8655 18.8655 k = 0.4836-0.2792 0.3949 ( 1776 PWs) bands (ev): -68.4903 -68.4903 -35.4335 -35.4335 -35.1465 -35.1465 -35.1442 -35.1442 -4.7730 -4.7730 2.0441 2.0441 4.5207 4.5207 4.5698 4.5698 9.0212 9.0212 10.6116 10.6116 18.1968 18.1968 18.8779 18.8779 k = 0.4918-0.2839 0.4016 ( 1772 PWs) bands (ev): -68.4903 -68.4903 -35.4335 -35.4335 -35.1465 -35.1465 -35.1442 -35.1442 -4.7687 -4.7687 2.0379 2.0379 4.5182 4.5182 4.5673 4.5673 9.0127 9.0127 10.6075 10.6075 18.2218 18.2218 18.8854 18.8854 k = 0.5000-0.2887 0.4082 ( 1772 PWs) bands (ev): -68.4903 -68.4903 -35.4335 -35.4335 -35.1465 -35.1465 -35.1442 -35.1442 -4.7672 -4.7672 2.0358 2.0358 4.5173 4.5173 4.5665 4.5665 9.0098 9.0098 10.6062 10.6062 18.2301 18.2301 18.8879 18.8879 k = 0.5000-0.2887 0.4082 ( 1772 PWs) bands (ev): -68.4903 -68.4903 -35.4335 -35.4335 -35.1465 -35.1465 -35.1442 -35.1442 -4.7672 -4.7672 2.0358 2.0358 4.5173 4.5173 4.5665 4.5665 9.0098 9.0098 10.6062 10.6062 18.2301 18.2301 18.8879 18.8879 k = 0.5000-0.2794 0.4148 ( 1772 PWs) bands (ev): -68.4903 -68.4903 -35.4335 -35.4335 -35.1465 -35.1465 -35.1442 -35.1442 -4.7671 -4.7671 2.0369 2.0369 4.5148 4.5148 4.5639 4.5639 9.0148 9.0148 10.6113 10.6113 18.2232 18.2232 18.8468 18.8468 k = 0.5000-0.2701 0.4214 ( 1780 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1465 -35.1465 -35.1442 -35.1442 -4.7668 -4.7668 2.0401 2.0401 4.5074 4.5074 4.5564 4.5564 9.0295 9.0295 10.6265 10.6265 18.2025 18.2025 18.7416 18.7416 k = 0.5000-0.2607 0.4280 ( 1784 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1465 -35.1465 -35.1443 -35.1443 -4.7662 -4.7662 2.0453 2.0453 4.4949 4.4949 4.5441 4.5441 9.0540 9.0540 10.6517 10.6517 18.1682 18.1682 18.6002 18.6002 k = 0.5000-0.2514 0.4346 ( 1784 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1465 -35.1465 -35.1443 -35.1443 -4.7654 -4.7654 2.0527 2.0527 4.4775 4.4775 4.5273 4.5273 9.0879 9.0879 10.6868 10.6868 18.1208 18.1208 18.4395 18.4395 k = 0.5000-0.2421 0.4412 ( 1790 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1465 -35.1465 -35.1443 -35.1443 -4.7643 -4.7643 2.0622 2.0622 4.4552 4.4552 4.5065 4.5065 9.1311 9.1311 10.7316 10.7316 18.0606 18.0606 18.2677 18.2677 k = 0.5000-0.2328 0.4478 ( 1798 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1465 -35.1465 -35.1444 -35.1444 -4.7631 -4.7631 2.0738 2.0738 4.4280 4.4280 4.4823 4.4823 9.1830 9.1830 10.7858 10.7858 17.9880 17.9880 18.0893 18.0893 k = 0.5000-0.2235 0.4543 ( 1802 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1465 -35.1465 -35.1444 -35.1444 -4.7616 -4.7616 2.0875 2.0875 4.3959 4.3959 4.4551 4.4551 9.2434 9.2434 10.8490 10.8490 17.8943 17.8943 17.9159 17.9159 k = 0.5000-0.2142 0.4609 ( 1802 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1465 -35.1465 -35.1444 -35.1444 -4.7600 -4.7600 2.1032 2.1032 4.3593 4.3593 4.4257 4.4257 9.3117 9.3117 10.9210 10.9210 17.7163 17.7163 17.8130 17.8130 k = 0.5000-0.2049 0.4675 ( 1798 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1465 -35.1465 -35.1444 -35.1444 -4.7582 -4.7582 2.1211 2.1211 4.3183 4.3183 4.3944 4.3944 9.3875 9.3875 11.0013 11.0013 17.5279 17.5279 17.7086 17.7086 k = 0.5000-0.1956 0.4741 ( 1800 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1464 -35.1464 -35.1444 -35.1444 -4.7563 -4.7563 2.1410 2.1410 4.2733 4.2733 4.3617 4.3617 9.4703 9.4703 11.0896 11.0896 17.3376 17.3376 17.5953 17.5953 k = 0.5000-0.1862 0.4807 ( 1796 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1464 -35.1464 -35.1444 -35.1444 -4.7542 -4.7542 2.1629 2.1629 4.2247 4.2247 4.3280 4.3280 9.5595 9.5595 11.1854 11.1854 17.1465 17.1465 17.4737 17.4737 k = 0.5000-0.1769 0.4873 ( 1800 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1464 -35.1464 -35.1445 -35.1445 -4.7520 -4.7520 2.1869 2.1869 4.1730 4.1730 4.2935 4.2935 9.6547 9.6547 11.2885 11.2885 16.9551 16.9551 17.3444 17.3444 k = 0.5000-0.1676 0.4938 ( 1800 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1464 -35.1464 -35.1445 -35.1445 -4.7497 -4.7497 2.2130 2.2130 4.1185 4.1185 4.2586 4.2586 9.7552 9.7552 11.3983 11.3983 16.7640 16.7640 17.2080 17.2080 k = 0.5000-0.1583 0.5004 ( 1800 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1464 -35.1464 -35.1445 -35.1445 -4.7474 -4.7474 2.2410 2.2410 4.0616 4.0616 4.2238 4.2238 9.8605 9.8605 11.5146 11.5146 16.5737 16.5737 17.0653 17.0653 k = 0.5000-0.1490 0.5070 ( 1802 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1463 -35.1463 -35.1446 -35.1446 -4.7450 -4.7450 2.2710 2.2710 4.0027 4.0027 4.1892 4.1892 9.9700 9.9700 11.6369 11.6369 16.3847 16.3847 16.9167 16.9167 k = 0.5000-0.1397 0.5136 ( 1802 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1463 -35.1463 -35.1446 -35.1446 -4.7427 -4.7427 2.3030 2.3030 3.9421 3.9421 4.1552 4.1552 10.0831 10.0831 11.7649 11.7649 16.1974 16.1974 16.7630 16.7630 k = 0.5000-0.1304 0.5202 ( 1806 PWs) bands (ev): -68.4903 -68.4903 -35.4337 -35.4337 -35.1463 -35.1463 -35.1447 -35.1447 -4.7403 -4.7403 2.3370 2.3370 3.8802 3.8802 4.1222 4.1222 10.1992 10.1992 11.8982 11.8982 16.0125 16.0125 16.6046 16.6046 k = 0.5000-0.1211 0.5268 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1463 -35.1463 -35.1447 -35.1447 -4.7379 -4.7379 2.3728 2.3728 3.8172 3.8172 4.0903 4.0903 10.3175 10.3175 12.0365 12.0365 15.8304 15.8304 16.4421 16.4421 k = 0.5000-0.1117 0.5334 ( 1810 PWs) bands (ev): -68.4903 -68.4903 -35.4337 -35.4337 -35.1463 -35.1463 -35.1447 -35.1447 -4.7356 -4.7356 2.4106 2.4106 3.7534 3.7534 4.0598 4.0598 10.4374 10.4374 12.1794 12.1794 15.6522 15.6522 16.2760 16.2760 k = 0.5000-0.1024 0.5399 ( 1810 PWs) bands (ev): -68.4903 -68.4903 -35.4337 -35.4337 -35.1462 -35.1462 -35.1448 -35.1448 -4.7334 -4.7334 2.4502 2.4502 3.6891 3.6891 4.0309 4.0309 10.5579 10.5579 12.3267 12.3267 15.4782 15.4782 16.1068 16.1068 k = 0.5000-0.0931 0.5465 ( 1810 PWs) bands (ev): -68.4903 -68.4903 -35.4337 -35.4337 -35.1462 -35.1462 -35.1448 -35.1448 -4.7313 -4.7313 2.4917 2.4917 3.6245 3.6245 4.0039 4.0039 10.6780 10.6780 12.4781 12.4781 15.3095 15.3095 15.9350 15.9350 k = 0.5000-0.0838 0.5531 ( 1810 PWs) bands (ev): -68.4903 -68.4903 -35.4337 -35.4337 -35.1462 -35.1462 -35.1448 -35.1448 -4.7293 -4.7293 2.5350 2.5350 3.5597 3.5597 3.9790 3.9790 10.7966 10.7966 12.6332 12.6332 15.1472 15.1472 15.7609 15.7609 k = 0.5000-0.0745 0.5597 ( 1808 PWs) bands (ev): -68.4903 -68.4903 -35.4337 -35.4337 -35.1461 -35.1461 -35.1448 -35.1448 -4.7275 -4.7275 2.5801 2.5801 3.4951 3.4951 3.9562 3.9562 10.9123 10.9123 12.7919 12.7919 14.9925 14.9925 15.5849 15.5849 k = 0.5000-0.0652 0.5663 ( 1808 PWs) bands (ev): -68.4903 -68.4903 -35.4337 -35.4337 -35.1461 -35.1461 -35.1449 -35.1449 -4.7258 -4.7258 2.6269 2.6269 3.4307 3.4307 3.9358 3.9358 11.0235 11.0235 12.9537 12.9537 14.8471 14.8471 15.4076 15.4076 k = 0.5000-0.0559 0.5729 ( 1812 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1461 -35.1461 -35.1449 -35.1449 -4.7244 -4.7244 2.6753 2.6753 3.3668 3.3668 3.9178 3.9178 11.1283 11.1283 13.1184 13.1184 14.7128 14.7128 15.2291 15.2291 k = 0.5000-0.0466 0.5794 ( 1808 PWs) bands (ev): -68.4903 -68.4903 -35.4337 -35.4337 -35.1461 -35.1461 -35.1449 -35.1449 -4.7231 -4.7231 2.7254 2.7254 3.3035 3.3035 3.9024 3.9024 11.2242 11.2242 13.2859 13.2859 14.5919 14.5919 15.0499 15.0499 k = 0.5000-0.0372 0.5860 ( 1812 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1461 -35.1461 -35.1450 -35.1450 -4.7220 -4.7220 2.7770 2.7770 3.2409 3.2409 3.8897 3.8897 11.3087 11.3087 13.4557 13.4557 14.4870 14.4870 14.8703 14.8703 k = 0.5000-0.0279 0.5926 ( 1808 PWs) bands (ev): -68.4903 -68.4903 -35.4337 -35.4337 -35.1460 -35.1460 -35.1450 -35.1450 -4.7212 -4.7212 2.8301 2.8301 3.1792 3.1792 3.8798 3.8798 11.3788 11.3788 13.6278 13.6278 14.4012 14.4012 14.6907 14.6907 k = 0.5000-0.0186 0.5992 ( 1800 PWs) bands (ev): -68.4903 -68.4903 -35.4337 -35.4337 -35.1460 -35.1460 -35.1449 -35.1449 -4.7206 -4.7206 2.8844 2.8844 3.1187 3.1187 3.8726 3.8726 11.4316 11.4316 13.8017 13.8017 14.3373 14.3373 14.5114 14.5114 k = 0.5000-0.0093 0.6058 ( 1800 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1460 -35.1460 -35.1449 -35.1449 -4.7202 -4.7202 2.9395 2.9395 3.0598 3.0598 3.8683 3.8683 11.4645 11.4645 13.9771 13.9771 14.2976 14.2976 14.3326 14.3326 k = 0.5000-0.0000 0.6124 ( 1800 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1460 -35.1460 -35.1449 -35.1449 -4.7201 -4.7201 2.9834 2.9834 3.0148 3.0148 3.8669 3.8669 11.4757 11.4757 14.1442 14.1442 14.1644 14.1644 14.2842 14.2842 k = 0.5000-0.0000 0.6124 ( 1800 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1460 -35.1460 -35.1449 -35.1449 -4.7201 -4.7201 2.9834 2.9834 3.0148 3.0148 3.8669 3.8669 11.4757 11.4757 14.1442 14.1442 14.1644 14.1644 14.2842 14.2842 k = 0.4943 0.0098 0.6124 ( 1800 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1460 -35.1460 -35.1449 -35.1449 -4.7204 -4.7204 2.9559 2.9559 3.0404 3.0404 3.8714 3.8714 11.4700 11.4700 14.0170 14.0170 14.2800 14.2800 14.3049 14.3049 k = 0.4886 0.0197 0.6124 ( 1800 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1460 -35.1460 -35.1449 -35.1449 -4.7214 -4.7214 2.9188 2.9188 3.0714 3.0714 3.8856 3.8856 11.4521 11.4521 13.8805 13.8805 14.3430 14.3430 14.4066 14.4066 k = 0.4830 0.0295 0.6124 ( 1810 PWs) bands (ev): -68.4903 -68.4903 -35.4337 -35.4337 -35.1460 -35.1460 -35.1450 -35.1450 -4.7229 -4.7229 2.8825 2.8825 3.0965 3.0965 3.9102 3.9102 11.4217 11.4217 13.7527 13.7527 14.3917 14.3917 14.5334 14.5334 k = 0.4773 0.0394 0.6124 ( 1816 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1461 -35.1461 -35.1450 -35.1450 -4.7249 -4.7249 2.8477 2.8477 3.1146 3.1146 3.9450 3.9450 11.3786 11.3786 13.6355 13.6355 14.4494 14.4494 14.6604 14.6604 k = 0.4716 0.0492 0.6124 ( 1810 PWs) bands (ev): -68.4903 -68.4903 -35.4337 -35.4337 -35.1461 -35.1461 -35.1449 -35.1449 -4.7273 -4.7273 2.8145 2.8145 3.1261 3.1261 3.9893 3.9893 11.3232 11.3232 13.5298 13.5298 14.5156 14.5156 14.7874 14.7874 k = 0.4659 0.0590 0.6124 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1461 -35.1461 -35.1449 -35.1449 -4.7299 -4.7299 2.7830 2.7830 3.1316 3.1316 4.0420 4.0420 11.2564 11.2564 13.4355 13.4355 14.5893 14.5893 14.9140 14.9140 k = 0.4602 0.0689 0.6124 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1461 -35.1461 -35.1449 -35.1449 -4.7329 -4.7329 2.7533 2.7533 3.1323 3.1323 4.1014 4.1014 11.1796 11.1796 13.3523 13.3523 14.6701 14.6701 15.0396 15.0396 k = 0.4545 0.0787 0.6124 ( 1812 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1461 -35.1461 -35.1448 -35.1448 -4.7359 -4.7359 2.7253 2.7253 3.1293 3.1293 4.1660 4.1660 11.0946 11.0946 13.2795 13.2795 14.7571 14.7571 15.1638 15.1638 k = 0.4489 0.0886 0.6124 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1461 -35.1461 -35.1448 -35.1448 -4.7391 -4.7391 2.6993 2.6993 3.1236 3.1236 4.2340 4.2340 11.0034 11.0034 13.2163 13.2163 14.8495 14.8495 15.2860 15.2860 k = 0.4432 0.0984 0.6124 ( 1811 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1461 -35.1461 -35.1448 -35.1448 -4.7423 -4.7423 2.6750 2.6750 3.1161 3.1161 4.3041 4.3041 10.9081 10.9081 13.1616 13.1616 14.9464 14.9464 15.4057 15.4057 k = 0.4375 0.1083 0.6124 ( 1809 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1462 -35.1462 -35.1447 -35.1447 -4.7455 -4.7455 2.6526 2.6526 3.1075 3.1075 4.3748 4.3748 10.8110 10.8110 13.1145 13.1145 15.0467 15.0467 15.5221 15.5221 k = 0.4318 0.1181 0.6124 ( 1813 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1462 -35.1462 -35.1447 -35.1447 -4.7486 -4.7486 2.6322 2.6322 3.0984 3.0984 4.4447 4.4447 10.7141 10.7141 13.0740 13.0740 15.1494 15.1494 15.6343 15.6343 k = 0.4261 0.1279 0.6124 ( 1811 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1462 -35.1462 -35.1447 -35.1447 -4.7515 -4.7515 2.6136 2.6136 3.0892 3.0892 4.5128 4.5128 10.6194 10.6194 13.0394 13.0394 15.2532 15.2532 15.7415 15.7415 k = 0.4205 0.1378 0.6124 ( 1811 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1462 -35.1462 -35.1447 -35.1447 -4.7543 -4.7543 2.5969 2.5969 3.0803 3.0803 4.5777 4.5777 10.5290 10.5290 13.0099 13.0099 15.3565 15.3565 15.8426 15.8426 k = 0.4148 0.1476 0.6124 ( 1807 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1462 -35.1462 -35.1446 -35.1446 -4.7568 -4.7568 2.5822 2.5822 3.0720 3.0720 4.6384 4.6384 10.4444 10.4444 12.9850 12.9850 15.4578 15.4578 15.9364 15.9364 k = 0.4091 0.1575 0.6124 ( 1807 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1462 -35.1462 -35.1446 -35.1446 -4.7591 -4.7591 2.5694 2.5694 3.0644 3.0644 4.6938 4.6938 10.3674 10.3674 12.9642 12.9642 15.5550 15.5550 16.0218 16.0218 k = 0.4034 0.1673 0.6124 ( 1807 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1463 -35.1463 -35.1446 -35.1446 -4.7611 -4.7611 2.5586 2.5586 3.0578 3.0578 4.7427 4.7427 10.2995 10.2995 12.9471 12.9471 15.6455 15.6455 16.0973 16.0973 k = 0.3977 0.1771 0.6124 ( 1809 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1463 -35.1463 -35.1446 -35.1446 -4.7627 -4.7627 2.5497 2.5497 3.0522 3.0522 4.7842 4.7842 10.2420 10.2420 12.9335 12.9335 15.7265 15.7265 16.1615 16.1615 k = 0.3920 0.1870 0.6124 ( 1812 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1463 -35.1463 -35.1446 -35.1446 -4.7640 -4.7640 2.5428 2.5428 3.0478 3.0478 4.8175 4.8175 10.1960 10.1960 12.9231 12.9231 15.7949 15.7949 16.2133 16.2133 k = 0.3864 0.1968 0.6124 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1463 -35.1463 -35.1446 -35.1446 -4.7650 -4.7650 2.5379 2.5379 3.0445 3.0445 4.8419 4.8419 10.1624 10.1624 12.9158 12.9158 15.8472 15.8472 16.2512 16.2512 k = 0.3807 0.2067 0.6124 ( 1822 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1463 -35.1463 -35.1446 -35.1446 -4.7656 -4.7656 2.5349 2.5349 3.0426 3.0426 4.8567 4.8567 10.1420 10.1420 12.9114 12.9114 15.8799 15.8799 16.2744 16.2744 k = 0.3750 0.2165 0.6124 ( 1822 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1463 -35.1463 -35.1446 -35.1446 -4.7658 -4.7658 2.5339 2.5339 3.0419 3.0419 4.8617 4.8617 10.1352 10.1352 12.9100 12.9100 15.8912 15.8912 16.2822 16.2822 k = 0.3750 0.2165 0.6124 ( 1822 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1463 -35.1463 -35.1446 -35.1446 -4.7658 -4.7658 2.5339 2.5339 3.0419 3.0419 4.8617 4.8617 10.1352 10.1352 12.9100 12.9100 15.8912 15.8912 16.2822 16.2822 k = 0.3692 0.2132 0.6030 ( 1822 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1463 -35.1463 -35.1446 -35.1446 -4.7710 -4.7710 2.5798 2.5798 2.9677 2.9677 4.8900 4.8900 10.2030 10.2030 13.0755 13.0755 15.7716 15.7716 16.1627 16.1627 k = 0.3635 0.2098 0.5935 ( 1816 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1463 -35.1463 -35.1446 -35.1446 -4.7774 -4.7774 2.6275 2.6275 2.8973 2.8973 4.9192 4.9192 10.2722 10.2722 13.2366 13.2366 15.6555 15.6555 16.0441 16.0441 k = 0.3577 0.2065 0.5841 ( 1810 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1462 -35.1462 -35.1445 -35.1445 -4.7850 -4.7850 2.6767 2.6767 2.8314 2.8314 4.9493 4.9493 10.3427 10.3427 13.3913 13.3913 15.5429 15.5429 15.9265 15.9265 k = 0.3519 0.2032 0.5747 ( 1806 PWs) bands (ev): -68.4904 -68.4904 -35.4335 -35.4335 -35.1462 -35.1462 -35.1445 -35.1445 -4.7939 -4.7939 2.7244 2.7244 2.7730 2.7730 4.9803 4.9803 10.4146 10.4146 13.5375 13.5375 15.4339 15.4339 15.8100 15.8100 k = 0.3462 0.1999 0.5653 ( 1806 PWs) bands (ev): -68.4904 -68.4904 -35.4335 -35.4335 -35.1462 -35.1462 -35.1444 -35.1444 -4.8041 -4.8041 2.7066 2.7066 2.7864 2.7864 5.0119 5.0119 10.4880 10.4880 13.6729 13.6729 15.3283 15.3283 15.6950 15.6950 k = 0.3404 0.1965 0.5558 ( 1802 PWs) bands (ev): -68.4904 -68.4904 -35.4335 -35.4335 -35.1462 -35.1462 -35.1444 -35.1444 -4.8159 -4.8159 2.6554 2.6554 2.8398 2.8398 5.0443 5.0443 10.5629 10.5629 13.7956 13.7956 15.2266 15.2266 15.5814 15.5814 k = 0.3346 0.1932 0.5464 ( 1798 PWs) bands (ev): -68.4904 -68.4904 -35.4334 -35.4334 -35.1462 -35.1462 -35.1443 -35.1443 -4.8291 -4.8291 2.6077 2.6077 2.8962 2.8962 5.0773 5.0773 10.6394 10.6394 13.9034 13.9034 15.1284 15.1284 15.4694 15.4694 k = 0.3288 0.1899 0.5370 ( 1798 PWs) bands (ev): -68.4904 -68.4904 -35.4334 -35.4334 -35.1461 -35.1461 -35.1443 -35.1443 -4.8439 -4.8439 2.5649 2.5649 2.9546 2.9546 5.1109 5.1109 10.7174 10.7174 13.9947 13.9947 15.0341 15.0341 15.3593 15.3593 k = 0.3231 0.1865 0.5276 ( 1798 PWs) bands (ev): -68.4904 -68.4904 -35.4334 -35.4334 -35.1461 -35.1461 -35.1442 -35.1442 -4.8603 -4.8603 2.5272 2.5272 3.0146 3.0146 5.1451 5.1451 10.7968 10.7968 14.0683 14.0683 14.9437 14.9437 15.2510 15.2510 k = 0.3173 0.1832 0.5182 ( 1796 PWs) bands (ev): -68.4904 -68.4904 -35.4333 -35.4333 -35.1461 -35.1461 -35.1442 -35.1442 -4.8784 -4.8784 2.4948 2.4948 3.0763 3.0763 5.1796 5.1796 10.8778 10.8778 14.1238 14.1238 14.8574 14.8574 15.1448 15.1448 k = 0.3115 0.1799 0.5087 ( 1806 PWs) bands (ev): -68.4904 -68.4904 -35.4333 -35.4333 -35.1461 -35.1461 -35.1442 -35.1442 -4.8981 -4.8981 2.4678 2.4678 3.1396 3.1396 5.2146 5.2146 10.9602 10.9602 14.1612 14.1612 14.7749 14.7749 15.0407 15.0407 k = 0.3058 0.1765 0.4993 ( 1806 PWs) bands (ev): -68.4904 -68.4904 -35.4333 -35.4333 -35.1461 -35.1461 -35.1441 -35.1441 -4.9195 -4.9195 2.4464 2.4464 3.2044 3.2044 5.2498 5.2498 11.0441 11.0441 14.1814 14.1814 14.6966 14.6966 14.9388 14.9388 k = 0.3000 0.1732 0.4899 ( 1806 PWs) bands (ev): -68.4904 -68.4904 -35.4333 -35.4333 -35.1461 -35.1461 -35.1441 -35.1441 -4.9426 -4.9426 2.4305 2.4305 3.2706 3.2706 5.2853 5.2853 11.1292 11.1292 14.1856 14.1856 14.6226 14.6226 14.8393 14.8393 k = 0.2942 0.1699 0.4805 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4333 -35.4333 -35.1461 -35.1461 -35.1440 -35.1440 -4.9673 -4.9673 2.4202 2.4202 3.3381 3.3381 5.3209 5.3209 11.2157 11.2157 14.1755 14.1755 14.5527 14.5527 14.7423 14.7423 k = 0.2885 0.1665 0.4711 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4332 -35.4332 -35.1460 -35.1460 -35.1440 -35.1440 -4.9937 -4.9937 2.4156 2.4156 3.4071 3.4071 5.3566 5.3566 11.3032 11.3032 14.1528 14.1528 14.4873 14.4873 14.6478 14.6478 k = 0.2827 0.1632 0.4616 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4332 -35.4332 -35.1460 -35.1460 -35.1439 -35.1439 -5.0216 -5.0216 2.4165 2.4165 3.4772 3.4772 5.3923 5.3923 11.3918 11.3918 14.1195 14.1195 14.4263 14.4263 14.5560 14.5560 k = 0.2769 0.1599 0.4522 ( 1812 PWs) bands (ev): -68.4904 -68.4904 -35.4331 -35.4331 -35.1460 -35.1460 -35.1438 -35.1438 -5.0511 -5.0511 2.4231 2.4231 3.5486 3.5486 5.4279 5.4279 11.4813 11.4813 14.0771 14.0771 14.3698 14.3698 14.4670 14.4670 k = 0.2712 0.1566 0.4428 ( 1812 PWs) bands (ev): -68.4904 -68.4904 -35.4331 -35.4331 -35.1459 -35.1459 -35.1438 -35.1438 -5.0820 -5.0820 2.4353 2.4353 3.6210 3.6210 5.4634 5.4634 11.5714 11.5714 14.0275 14.0275 14.3178 14.3178 14.3808 14.3808 k = 0.2654 0.1532 0.4334 ( 1816 PWs) bands (ev): -68.4904 -68.4904 -35.4330 -35.4330 -35.1459 -35.1459 -35.1437 -35.1437 -5.1144 -5.1144 2.4530 2.4530 3.6945 3.6945 5.4986 5.4986 11.6618 11.6618 13.9721 13.9721 14.2702 14.2702 14.2978 14.2978 k = 0.2596 0.1499 0.4240 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4330 -35.4330 -35.1458 -35.1458 -35.1436 -35.1436 -5.1481 -5.1481 2.4762 2.4762 3.7690 3.7690 5.5335 5.5335 11.7524 11.7524 13.9124 13.9124 14.2159 14.2159 14.2292 14.2292 k = 0.2538 0.1466 0.4145 ( 1814 PWs) bands (ev): -68.4905 -68.4905 -35.4329 -35.4329 -35.1458 -35.1458 -35.1436 -35.1436 -5.1830 -5.1830 2.5048 2.5048 3.8443 3.8443 5.5680 5.5680 11.8425 11.8425 13.8496 13.8496 14.1396 14.1396 14.1907 14.1907 k = 0.2481 0.1432 0.4051 ( 1827 PWs) bands (ev): -68.4905 -68.4905 -35.4329 -35.4329 -35.1457 -35.1457 -35.1436 -35.1436 -5.2190 -5.2190 2.5386 2.5386 3.9203 3.9203 5.6020 5.6020 11.9317 11.9317 13.7851 13.7851 14.0657 14.0657 14.1575 14.1575 k = 0.2423 0.1399 0.3957 ( 1827 PWs) bands (ev): -68.4905 -68.4905 -35.4328 -35.4328 -35.1457 -35.1457 -35.1435 -35.1435 -5.2561 -5.2561 2.5777 2.5777 3.9971 3.9971 5.6355 5.6355 12.0193 12.0193 13.7203 13.7203 13.9952 13.9952 14.1296 14.1296 k = 0.2365 0.1366 0.3863 ( 1827 PWs) bands (ev): -68.4905 -68.4905 -35.4327 -35.4327 -35.1456 -35.1456 -35.1435 -35.1435 -5.2941 -5.2941 2.6219 2.6219 4.0744 4.0744 5.6683 5.6683 12.1042 12.1042 13.6566 13.6566 13.9280 13.9280 14.1067 14.1067 k = 0.2308 0.1332 0.3768 ( 1835 PWs) bands (ev): -68.4905 -68.4905 -35.4327 -35.4327 -35.1455 -35.1455 -35.1434 -35.1434 -5.3329 -5.3329 2.6711 2.6711 4.1522 4.1522 5.7005 5.7005 12.1849 12.1849 13.5957 13.5957 13.8642 13.8642 14.0888 14.0888 k = 0.2250 0.1299 0.3674 ( 1831 PWs) bands (ev): -68.4905 -68.4905 -35.4326 -35.4326 -35.1454 -35.1454 -35.1433 -35.1433 -5.3723 -5.3723 2.7251 2.7251 4.2304 4.2304 5.7318 5.7318 12.2599 12.2599 13.5400 13.5400 13.8041 13.8041 14.0760 14.0760 k = 0.2192 0.1266 0.3580 ( 1831 PWs) bands (ev): -68.4905 -68.4905 -35.4325 -35.4325 -35.1454 -35.1454 -35.1433 -35.1433 -5.4124 -5.4124 2.7838 2.7838 4.3088 4.3088 5.7624 5.7624 12.3264 12.3264 13.4920 13.4920 13.7477 13.7477 14.0685 14.0685 k = 0.2135 0.1232 0.3486 ( 1841 PWs) bands (ev): -68.4905 -68.4905 -35.4325 -35.4325 -35.1453 -35.1453 -35.1432 -35.1432 -5.4529 -5.4529 2.8471 2.8471 4.3873 4.3873 5.7921 5.7921 12.3811 12.3811 13.4551 13.4551 13.6951 13.6951 14.0660 14.0660 k = 0.2077 0.1199 0.3392 ( 1841 PWs) bands (ev): -68.4905 -68.4905 -35.4324 -35.4324 -35.1452 -35.1452 -35.1432 -35.1432 -5.4938 -5.4938 2.9148 2.9148 4.4659 4.4659 5.8208 5.8208 12.4207 12.4207 13.4330 13.4330 13.6463 13.6463 14.0688 14.0688 k = 0.2019 0.1166 0.3297 ( 1849 PWs) bands (ev): -68.4906 -68.4906 -35.4324 -35.4324 -35.1452 -35.1452 -35.1431 -35.1431 -5.5349 -5.5349 2.9869 2.9869 4.5443 4.5443 5.8485 5.8485 12.4416 12.4416 13.4289 13.4289 13.6016 13.6016 14.0769 14.0769 k = 0.1962 0.1132 0.3203 ( 1849 PWs) bands (ev): -68.4906 -68.4906 -35.4323 -35.4323 -35.1450 -35.1450 -35.1431 -35.1431 -5.5761 -5.5761 3.0631 3.0631 4.6225 4.6225 5.8753 5.8753 12.4425 12.4425 13.4443 13.4443 13.5611 13.5611 14.0903 14.0903 k = 0.1904 0.1099 0.3109 ( 1835 PWs) bands (ev): -68.4906 -68.4906 -35.4322 -35.4322 -35.1449 -35.1449 -35.1430 -35.1430 -5.6173 -5.6173 3.1433 3.1433 4.7003 4.7003 5.9009 5.9009 12.4238 12.4238 13.4777 13.4777 13.5257 13.5257 14.1090 14.1090 k = 0.1846 0.1066 0.3015 ( 1835 PWs) bands (ev): -68.4906 -68.4906 -35.4321 -35.4321 -35.1448 -35.1448 -35.1429 -35.1429 -5.6583 -5.6583 3.2273 3.2273 4.7776 4.7776 5.9255 5.9255 12.3882 12.3882 13.4892 13.4892 13.5326 13.5326 14.1329 14.1329 k = 0.1788 0.1033 0.2921 ( 1835 PWs) bands (ev): -68.4906 -68.4906 -35.4320 -35.4320 -35.1447 -35.1447 -35.1428 -35.1428 -5.6992 -5.6992 3.3149 3.3149 4.8542 4.8542 5.9490 5.9490 12.3389 12.3389 13.4625 13.4625 13.5944 13.5944 14.1620 14.1620 k = 0.1731 0.0999 0.2826 ( 1835 PWs) bands (ev): -68.4906 -68.4906 -35.4319 -35.4319 -35.1445 -35.1445 -35.1428 -35.1428 -5.7397 -5.7397 3.4061 3.4061 4.9299 4.9299 5.9713 5.9713 12.2793 12.2793 13.4391 13.4391 13.6664 13.6664 14.1963 14.1963 k = 0.1673 0.0966 0.2732 ( 1825 PWs) bands (ev): -68.4906 -68.4906 -35.4318 -35.4318 -35.1444 -35.1444 -35.1427 -35.1427 -5.7798 -5.7798 3.5006 3.5006 5.0048 5.0048 5.9925 5.9925 12.2120 12.2120 13.4198 13.4198 13.7448 13.7448 14.2358 14.2358 k = 0.1615 0.0933 0.2638 ( 1829 PWs) bands (ev): -68.4906 -68.4906 -35.4317 -35.4317 -35.1443 -35.1443 -35.1427 -35.1427 -5.8194 -5.8194 3.5983 3.5983 5.0785 5.0785 6.0126 6.0126 12.1388 12.1388 13.4050 13.4050 13.8269 13.8269 14.2803 14.2803 k = 0.1558 0.0899 0.2544 ( 1829 PWs) bands (ev): -68.4906 -68.4906 -35.4316 -35.4316 -35.1441 -35.1441 -35.1426 -35.1426 -5.8583 -5.8583 3.6989 3.6989 5.1509 5.1509 6.0315 6.0315 12.0610 12.0610 13.3948 13.3948 13.9109 13.9109 14.3300 14.3300 k = 0.1500 0.0866 0.2449 ( 1829 PWs) bands (ev): -68.4906 -68.4906 -35.4316 -35.4316 -35.1440 -35.1440 -35.1426 -35.1426 -5.8965 -5.8965 3.8022 3.8022 5.2220 5.2220 6.0493 6.0493 11.9798 11.9798 13.3890 13.3890 13.9953 13.9953 14.3846 14.3846 k = 0.1442 0.0833 0.2355 ( 1833 PWs) bands (ev): -68.4906 -68.4906 -35.4315 -35.4315 -35.1439 -35.1439 -35.1425 -35.1425 -5.9340 -5.9340 3.9082 3.9082 5.2915 5.2915 6.0660 6.0660 11.8956 11.8956 13.3878 13.3878 14.0786 14.0786 14.4442 14.4442 k = 0.1385 0.0799 0.2261 ( 1833 PWs) bands (ev): -68.4906 -68.4906 -35.4314 -35.4314 -35.1438 -35.1438 -35.1425 -35.1425 -5.9706 -5.9706 4.0165 4.0165 5.3592 5.3592 6.0817 6.0817 11.8092 11.8092 13.3911 13.3911 14.1596 14.1596 14.5085 14.5085 k = 0.1327 0.0766 0.2167 ( 1837 PWs) bands (ev): -68.4907 -68.4907 -35.4313 -35.4313 -35.1437 -35.1437 -35.1425 -35.1425 -6.0062 -6.0062 4.1269 4.1269 5.4251 5.4251 6.0962 6.0962 11.7206 11.7206 13.3989 13.3989 14.2370 14.2370 14.5774 14.5774 k = 0.1269 0.0733 0.2073 ( 1839 PWs) bands (ev): -68.4907 -68.4907 -35.4313 -35.4313 -35.1436 -35.1436 -35.1424 -35.1424 -6.0408 -6.0408 4.2393 4.2393 5.4891 5.4891 6.1098 6.1098 11.6303 11.6303 13.4113 13.4113 14.3093 14.3093 14.6509 14.6509 k = 0.1212 0.0699 0.1978 ( 1839 PWs) bands (ev): -68.4907 -68.4907 -35.4312 -35.4312 -35.1434 -35.1434 -35.1424 -35.1424 -6.0743 -6.0743 4.3533 4.3533 5.5509 5.5509 6.1223 6.1223 11.5384 11.5384 13.4280 13.4280 14.3752 14.3752 14.7288 14.7288 k = 0.1154 0.0666 0.1884 ( 1835 PWs) bands (ev): -68.4907 -68.4907 -35.4311 -35.4311 -35.1433 -35.1433 -35.1423 -35.1423 -6.1066 -6.1066 4.4686 4.4686 5.6105 5.6105 6.1339 6.1339 11.4451 11.4451 13.4490 13.4490 14.4330 14.4330 14.6922 14.6922 k = 0.1096 0.0633 0.1790 ( 1839 PWs) bands (ev): -68.4907 -68.4907 -35.4310 -35.4310 -35.1432 -35.1432 -35.1423 -35.1423 -6.1378 -6.1378 4.5849 4.5849 5.6678 5.6678 6.1447 6.1447 11.3505 11.3505 13.4742 13.4742 14.4812 14.4812 14.6385 14.6385 k = 0.1038 0.0600 0.1696 ( 1831 PWs) bands (ev): -68.4907 -68.4907 -35.4309 -35.4309 -35.1430 -35.1430 -35.1422 -35.1422 -6.1676 -6.1676 4.7020 4.7020 5.7225 5.7225 6.1545 6.1545 11.2549 11.2549 13.5032 13.5032 14.5182 14.5182 14.5874 14.5874 k = 0.0981 0.0566 0.1602 ( 1831 PWs) bands (ev): -68.4907 -68.4907 -35.4309 -35.4309 -35.1429 -35.1429 -35.1422 -35.1422 -6.1962 -6.1962 4.8195 4.8195 5.7747 5.7747 6.1636 6.1636 11.1583 11.1583 13.5360 13.5360 14.5391 14.5391 14.5427 14.5427 k = 0.0923 0.0533 0.1507 ( 1835 PWs) bands (ev): -68.4907 -68.4907 -35.4308 -35.4308 -35.1428 -35.1428 -35.1422 -35.1422 -6.2233 -6.2233 4.9368 4.9368 5.8242 5.8242 6.1719 6.1719 11.0610 11.0610 13.5722 13.5722 14.4936 14.4936 14.5539 14.5539 k = 0.0865 0.0500 0.1413 ( 1837 PWs) bands (ev): -68.4907 -68.4907 -35.4308 -35.4308 -35.1428 -35.1428 -35.1422 -35.1422 -6.2490 -6.2490 5.0537 5.0537 5.8710 5.8710 6.1795 6.1795 10.9634 10.9634 13.6115 13.6115 14.4507 14.4507 14.5520 14.5520 k = 0.0808 0.0466 0.1319 ( 1841 PWs) bands (ev): -68.4907 -68.4907 -35.4307 -35.4307 -35.1427 -35.1427 -35.1421 -35.1421 -6.2733 -6.2733 5.1695 5.1695 5.9149 5.9149 6.1866 6.1866 10.8657 10.8657 13.6534 13.6534 14.4107 14.4107 14.5380 14.5380 k = 0.0750 0.0433 0.1225 ( 1841 PWs) bands (ev): -68.4908 -68.4908 -35.4306 -35.4306 -35.1426 -35.1426 -35.1421 -35.1421 -6.2961 -6.2961 5.2836 5.2836 5.9559 5.9559 6.1930 6.1930 10.7685 10.7685 13.6975 13.6975 14.3733 14.3733 14.5136 14.5136 k = 0.0692 0.0400 0.1131 ( 1841 PWs) bands (ev): -68.4908 -68.4908 -35.4306 -35.4306 -35.1425 -35.1425 -35.1421 -35.1421 -6.3173 -6.3173 5.3955 5.3955 5.9939 5.9939 6.1990 6.1990 10.6723 10.6723 13.7433 13.7433 14.3387 14.3387 14.4810 14.4810 k = 0.0635 0.0366 0.1036 ( 1837 PWs) bands (ev): -68.4908 -68.4908 -35.4305 -35.4305 -35.1424 -35.1424 -35.1420 -35.1420 -6.3369 -6.3369 5.5043 5.5043 6.0288 6.0288 6.2045 6.2045 10.5778 10.5778 13.7902 13.7902 14.3069 14.3069 14.4431 14.4431 k = 0.0577 0.0333 0.0942 ( 1835 PWs) bands (ev): -68.4908 -68.4908 -35.4305 -35.4305 -35.1423 -35.1423 -35.1420 -35.1420 -6.3549 -6.3549 5.6091 5.6091 6.0607 6.0607 6.2098 6.2098 10.4857 10.4857 13.8373 13.8373 14.2779 14.2779 14.4021 14.4021 k = 0.0519 0.0300 0.0848 ( 1831 PWs) bands (ev): -68.4908 -68.4908 -35.4304 -35.4304 -35.1422 -35.1422 -35.1420 -35.1420 -6.3713 -6.3713 5.7091 5.7091 6.0894 6.0894 6.2148 6.2148 10.3969 10.3969 13.8841 13.8841 14.2515 14.2515 14.3601 14.3601 k = 0.0462 0.0266 0.0754 ( 1831 PWs) bands (ev): -68.4908 -68.4908 -35.4304 -35.4304 -35.1422 -35.1422 -35.1420 -35.1420 -6.3860 -6.3860 5.8030 5.8030 6.1151 6.1151 6.2197 6.2197 10.3124 10.3124 13.9295 13.9295 14.2280 14.2280 14.3190 14.3190 k = 0.0404 0.0233 0.0659 ( 1829 PWs) bands (ev): -68.4908 -68.4908 -35.4303 -35.4303 -35.1421 -35.1421 -35.1419 -35.1419 -6.3991 -6.3991 5.8895 5.8895 6.1378 6.1378 6.2247 6.2247 10.2334 10.2334 13.9728 13.9728 14.2072 14.2072 14.2801 14.2801 k = 0.0346 0.0200 0.0565 ( 1825 PWs) bands (ev): -68.4908 -68.4908 -35.4303 -35.4303 -35.1420 -35.1420 -35.1419 -35.1419 -6.4104 -6.4104 5.9670 5.9670 6.1578 6.1578 6.2297 6.2297 10.1612 10.1612 14.0130 14.0130 14.1892 14.1892 14.2447 14.2447 k = 0.0288 0.0167 0.0471 ( 1829 PWs) bands (ev): -68.4908 -68.4908 -35.4303 -35.4303 -35.1420 -35.1420 -35.1419 -35.1419 -6.4201 -6.4201 6.0334 6.0334 6.1760 6.1760 6.2349 6.2349 10.0970 10.0970 14.0491 14.0491 14.1739 14.1739 14.2136 14.2136 k = 0.0231 0.0133 0.0377 ( 1829 PWs) bands (ev): -68.4908 -68.4908 -35.4302 -35.4302 -35.1419 -35.1419 -35.1419 -35.1419 -6.4279 -6.4279 6.0861 6.0861 6.1939 6.1939 6.2399 6.2399 10.0421 10.0421 14.0802 14.0802 14.1614 14.1614 14.1874 14.1874 k = 0.0173 0.0100 0.0283 ( 1829 PWs) bands (ev): -68.4908 -68.4908 -35.4302 -35.4302 -35.1419 -35.1419 -35.1419 -35.1419 -6.4341 -6.4341 6.1228 6.1228 6.2130 6.2130 6.2444 6.2444 9.9978 9.9978 14.1054 14.1054 14.1517 14.1517 14.1666 14.1666 k = 0.0115 0.0067 0.0188 ( 1829 PWs) bands (ev): -68.4908 -68.4908 -35.4302 -35.4302 -35.1419 -35.1419 -35.1419 -35.1419 -6.4385 -6.4385 6.1442 6.1442 6.2320 6.2320 6.2480 6.2480 9.9653 9.9653 14.1240 14.1240 14.1448 14.1448 14.1515 14.1515 k = 0.0058 0.0033 0.0094 ( 1837 PWs) bands (ev): -68.4908 -68.4908 -35.4302 -35.4302 -35.1419 -35.1419 -35.1419 -35.1419 -6.4411 -6.4411 6.1545 6.1545 6.2461 6.2461 6.2504 6.2504 9.9454 9.9454 14.1354 14.1354 14.1406 14.1406 14.1424 14.1424 k = 0.0000 0.0000 0.0000 ( 1837 PWs) bands (ev): -68.4908 -68.4908 -35.4302 -35.4302 -35.1419 -35.1419 -35.1419 -35.1419 -6.4420 -6.4420 6.1575 6.1575 6.2512 6.2512 6.2512 6.2512 9.9387 9.9387 14.1390 14.1390 14.1390 14.1390 14.1397 14.1397 k = 0.0000 0.0000 0.0000 ( 1837 PWs) bands (ev): -68.4908 -68.4908 -35.4302 -35.4302 -35.1419 -35.1419 -35.1419 -35.1419 -6.4420 -6.4420 6.1575 6.1575 6.2512 6.2512 6.2512 6.2512 9.9387 9.9387 14.1390 14.1390 14.1390 14.1390 14.1397 14.1397 k = 0.0094 0.0054 0.0039 ( 1837 PWs) bands (ev): -68.4908 -68.4908 -35.4302 -35.4302 -35.1419 -35.1419 -35.1419 -35.1419 -6.4411 -6.4411 6.1545 6.1545 6.2459 6.2459 6.2506 6.2506 9.9454 9.9454 14.1359 14.1359 14.1410 14.1410 14.1414 14.1414 k = 0.0189 0.0109 0.0077 ( 1834 PWs) bands (ev): -68.4908 -68.4908 -35.4302 -35.4302 -35.1419 -35.1419 -35.1419 -35.1419 -6.4385 -6.4385 6.1438 6.1438 6.2317 6.2317 6.2487 6.2487 9.9653 9.9653 14.1262 14.1262 14.1468 14.1468 14.1472 14.1472 k = 0.0283 0.0163 0.0116 ( 1828 PWs) bands (ev): -68.4908 -68.4908 -35.4302 -35.4302 -35.1419 -35.1419 -35.1419 -35.1419 -6.4341 -6.4341 6.1208 6.1208 6.2137 6.2137 6.2456 6.2456 9.9979 9.9979 14.1105 14.1105 14.1564 14.1564 14.1568 14.1568 k = 0.0377 0.0218 0.0154 ( 1828 PWs) bands (ev): -68.4908 -68.4908 -35.4302 -35.4302 -35.1419 -35.1419 -35.1419 -35.1419 -6.4279 -6.4279 6.0806 6.0806 6.1979 6.1979 6.2412 6.2412 10.0420 10.0420 14.0893 14.0893 14.1697 14.1697 14.1700 14.1700 k = 0.0472 0.0272 0.0193 ( 1828 PWs) bands (ev): -68.4908 -68.4908 -35.4303 -35.4303 -35.1420 -35.1420 -35.1419 -35.1419 -6.4200 -6.4200 6.0230 6.0230 6.1856 6.1856 6.2357 6.2357 10.0964 10.0964 14.0635 14.0635 14.1864 14.1864 14.1866 14.1866 k = 0.0566 0.0327 0.0231 ( 1828 PWs) bands (ev): -68.4908 -68.4908 -35.4303 -35.4303 -35.1420 -35.1420 -35.1419 -35.1419 -6.4103 -6.4103 5.9509 5.9509 6.1750 6.1750 6.2289 6.2289 10.1597 10.1597 14.0343 14.0343 14.2062 14.2062 14.2063 14.2063 k = 0.0660 0.0381 0.0270 ( 1823 PWs) bands (ev): -68.4908 -68.4908 -35.4303 -35.4303 -35.1421 -35.1421 -35.1419 -35.1419 -6.3990 -6.3990 5.8670 5.8670 6.1649 6.1649 6.2211 6.2211 10.2304 10.2304 14.0027 14.0027 14.2288 14.2288 14.2288 14.2288 k = 0.0755 0.0436 0.0308 ( 1829 PWs) bands (ev): -68.4908 -68.4908 -35.4304 -35.4304 -35.1422 -35.1422 -35.1419 -35.1419 -6.3859 -6.3859 5.7732 5.7732 6.1546 6.1546 6.2121 6.2121 10.3068 10.3068 13.9700 13.9700 14.2534 14.2534 14.2535 14.2535 k = 0.0849 0.0490 0.0347 ( 1835 PWs) bands (ev): -68.4908 -68.4908 -35.4304 -35.4304 -35.1423 -35.1423 -35.1420 -35.1420 -6.3711 -6.3711 5.6712 5.6712 6.1438 6.1438 6.2021 6.2021 10.3873 10.3873 13.9374 13.9374 14.2795 14.2796 14.2799 14.2799 k = 0.0943 0.0545 0.0385 ( 1835 PWs) bands (ev): -68.4908 -68.4908 -35.4305 -35.4305 -35.1423 -35.1423 -35.1420 -35.1420 -6.3547 -6.3547 5.5622 5.5622 6.1322 6.1322 6.1912 6.1912 10.4703 10.4703 13.9062 13.9062 14.3065 14.3065 14.3070 14.3070 k = 0.1038 0.0599 0.0424 ( 1835 PWs) bands (ev): -68.4908 -68.4908 -35.4305 -35.4305 -35.1424 -35.1424 -35.1420 -35.1420 -6.3367 -6.3367 5.4473 5.4473 6.1200 6.1200 6.1793 6.1793 10.5543 10.5543 13.8780 13.8780 14.3331 14.3331 14.3339 14.3339 k = 0.1132 0.0654 0.0462 ( 1835 PWs) bands (ev): -68.4908 -68.4908 -35.4306 -35.4306 -35.1425 -35.1425 -35.1420 -35.1420 -6.3170 -6.3170 5.3276 5.3276 6.1070 6.1070 6.1665 6.1665 10.6378 10.6378 13.8539 13.8539 14.3582 14.3582 14.3593 14.3593 k = 0.1226 0.0708 0.0501 ( 1835 PWs) bands (ev): -68.4907 -68.4907 -35.4306 -35.4306 -35.1426 -35.1426 -35.1420 -35.1420 -6.2958 -6.2958 5.2039 5.2039 6.0933 6.0933 6.1530 6.1530 10.7192 10.7192 13.8353 13.8353 14.3804 14.3804 14.3819 14.3819 k = 0.1321 0.0763 0.0539 ( 1835 PWs) bands (ev): -68.4907 -68.4907 -35.4307 -35.4307 -35.1427 -35.1427 -35.1421 -35.1421 -6.2730 -6.2730 5.0769 5.0769 6.0790 6.0790 6.1387 6.1387 10.7973 10.7973 13.8236 13.8236 14.3982 14.3982 14.4000 14.4000 k = 0.1415 0.0817 0.0578 ( 1835 PWs) bands (ev): -68.4907 -68.4907 -35.4307 -35.4307 -35.1428 -35.1428 -35.1421 -35.1421 -6.2487 -6.2487 4.9473 4.9473 6.0641 6.0641 6.1238 6.1238 10.8706 10.8706 13.8199 13.8199 14.4097 14.4097 14.4121 14.4121 k = 0.1509 0.0871 0.0616 ( 1829 PWs) bands (ev): -68.4907 -68.4907 -35.4308 -35.4308 -35.1429 -35.1429 -35.1421 -35.1421 -6.2230 -6.2230 4.8157 4.8157 6.0486 6.0486 6.1083 6.1083 10.9380 10.9380 13.8254 13.8254 14.4137 14.4137 14.4166 14.4166 k = 0.1604 0.0926 0.0655 ( 1820 PWs) bands (ev): -68.4907 -68.4907 -35.4308 -35.4308 -35.1430 -35.1430 -35.1421 -35.1421 -6.1959 -6.1959 4.6826 4.6826 6.0326 6.0326 6.0922 6.0922 10.9984 10.9984 13.8409 13.8409 14.4089 14.4089 14.4124 14.4124 k = 0.1698 0.0980 0.0693 ( 1820 PWs) bands (ev): -68.4907 -68.4907 -35.4309 -35.4309 -35.1431 -35.1431 -35.1421 -35.1421 -6.1674 -6.1674 4.5484 4.5484 6.0162 6.0162 6.0758 6.0758 11.0510 11.0510 13.8673 13.8673 14.3947 14.3947 14.3989 14.3989 k = 0.1792 0.1035 0.0732 ( 1820 PWs) bands (ev): -68.4907 -68.4907 -35.4310 -35.4310 -35.1432 -35.1432 -35.1421 -35.1421 -6.1376 -6.1376 4.4135 4.4135 5.9995 5.9995 6.0589 6.0589 11.0953 11.0953 13.9049 13.9049 14.3714 14.3714 14.3763 14.3763 k = 0.1887 0.1089 0.0770 ( 1835 PWs) bands (ev): -68.4907 -68.4907 -35.4311 -35.4311 -35.1434 -35.1434 -35.1422 -35.1422 -6.1066 -6.1066 4.2784 4.2784 5.9824 5.9824 6.0417 6.0417 11.1310 11.1310 13.9539 13.9539 14.3397 14.3397 14.3452 14.3452 k = 0.1981 0.1144 0.0809 ( 1841 PWs) bands (ev): -68.4907 -68.4907 -35.4312 -35.4312 -35.1435 -35.1435 -35.1423 -35.1423 -6.0744 -6.0744 4.1434 4.1434 5.9652 5.9652 6.0244 6.0244 11.1583 11.1583 14.0141 14.0141 14.3007 14.3007 14.3068 14.3068 k = 0.2075 0.1198 0.0847 ( 1835 PWs) bands (ev): -68.4907 -68.4907 -35.4312 -35.4312 -35.1437 -35.1437 -35.1423 -35.1423 -6.0411 -6.0411 4.0089 4.0089 5.9478 5.9478 6.0068 6.0068 11.1775 11.1775 14.0850 14.0850 14.2559 14.2559 14.2625 14.2625 k = 0.2170 0.1253 0.0886 ( 1832 PWs) bands (ev): -68.4907 -68.4907 -35.4313 -35.4313 -35.1438 -35.1438 -35.1423 -35.1423 -6.0067 -6.0067 3.8750 3.8750 5.9303 5.9303 5.9892 5.9892 11.1891 11.1891 14.1655 14.1655 14.2069 14.2069 14.2135 14.2135 k = 0.2264 0.1307 0.0924 ( 1832 PWs) bands (ev): -68.4907 -68.4907 -35.4314 -35.4314 -35.1439 -35.1439 -35.1423 -35.1423 -5.9715 -5.9715 3.7422 3.7422 5.9128 5.9128 5.9715 5.9715 11.1938 11.1938 14.1531 14.1531 14.1610 14.1610 14.2564 14.2564 k = 0.2358 0.1362 0.0963 ( 1832 PWs) bands (ev): -68.4906 -68.4906 -35.4315 -35.4315 -35.1440 -35.1440 -35.1423 -35.1423 -5.9353 -5.9353 3.6106 3.6106 5.8953 5.8953 5.9539 5.9539 11.1924 11.1924 14.0980 14.0980 14.1062 14.1062 14.3543 14.3543 k = 0.2453 0.1416 0.1001 ( 1829 PWs) bands (ev): -68.4906 -68.4906 -35.4315 -35.4315 -35.1442 -35.1442 -35.1424 -35.1424 -5.8984 -5.8984 3.4805 3.4805 5.8780 5.8780 5.9364 5.9364 11.1858 11.1858 14.0414 14.0414 14.0499 14.0499 14.4594 14.4594 k = 0.2547 0.1471 0.1040 ( 1829 PWs) bands (ev): -68.4906 -68.4906 -35.4316 -35.4316 -35.1443 -35.1443 -35.1424 -35.1424 -5.8608 -5.8608 3.3522 3.3522 5.8607 5.8607 5.9190 5.9190 11.1749 11.1749 13.9840 13.9840 13.9929 13.9929 14.5703 14.5703 k = 0.2642 0.1525 0.1078 ( 1829 PWs) bands (ev): -68.4906 -68.4906 -35.4317 -35.4317 -35.1445 -35.1445 -35.1424 -35.1424 -5.8227 -5.8227 3.2259 3.2259 5.8437 5.8437 5.9019 5.9019 11.1603 11.1603 13.9265 13.9265 13.9357 13.9357 14.6859 14.6859 k = 0.2736 0.1580 0.1117 ( 1835 PWs) bands (ev): -68.4906 -68.4906 -35.4318 -35.4318 -35.1446 -35.1446 -35.1425 -35.1425 -5.7841 -5.7841 3.1019 3.1019 5.8270 5.8270 5.8849 5.8849 11.1429 11.1429 13.8694 13.8694 13.8788 13.8788 14.8052 14.8052 k = 0.2830 0.1634 0.1155 ( 1841 PWs) bands (ev): -68.4906 -68.4906 -35.4319 -35.4319 -35.1448 -35.1448 -35.1425 -35.1425 -5.7453 -5.7453 2.9804 2.9804 5.8105 5.8105 5.8684 5.8684 11.1232 11.1232 13.8130 13.8130 13.8227 13.8227 14.9269 14.9269 k = 0.2925 0.1688 0.1194 ( 1841 PWs) bands (ev): -68.4906 -68.4906 -35.4320 -35.4320 -35.1449 -35.1449 -35.1425 -35.1425 -5.7062 -5.7062 2.8616 2.8616 5.7945 5.7945 5.8522 5.8522 11.1019 11.1019 13.7578 13.7578 13.7677 13.7677 15.0500 15.0500 k = 0.3019 0.1743 0.1232 ( 1841 PWs) bands (ev): -68.4906 -68.4906 -35.4321 -35.4321 -35.1451 -35.1451 -35.1425 -35.1425 -5.6670 -5.6670 2.7457 2.7457 5.7788 5.7788 5.8364 5.8364 11.0795 11.0795 13.7040 13.7040 13.7141 13.7141 15.1733 15.1733 k = 0.3113 0.1797 0.1271 ( 1841 PWs) bands (ev): -68.4906 -68.4906 -35.4321 -35.4321 -35.1452 -35.1452 -35.1426 -35.1426 -5.6280 -5.6280 2.6330 2.6330 5.7636 5.7636 5.8210 5.8210 11.0563 11.0563 13.6518 13.6518 13.6621 13.6621 15.2956 15.2956 k = 0.3208 0.1852 0.1309 ( 1841 PWs) bands (ev): -68.4906 -68.4906 -35.4322 -35.4322 -35.1453 -35.1453 -35.1426 -35.1426 -5.5891 -5.5891 2.5237 2.5237 5.7489 5.7489 5.8062 5.8062 11.0328 11.0328 13.6014 13.6014 13.6119 13.6119 15.4158 15.4158 k = 0.3302 0.1906 0.1348 ( 1853 PWs) bands (ev): -68.4906 -68.4906 -35.4323 -35.4323 -35.1455 -35.1455 -35.1427 -35.1427 -5.5507 -5.5507 2.4181 2.4181 5.7347 5.7347 5.7919 5.7919 11.0093 11.0093 13.5530 13.5530 13.5636 13.5636 15.5326 15.5326 k = 0.3396 0.1961 0.1387 ( 1847 PWs) bands (ev): -68.4906 -68.4906 -35.4324 -35.4324 -35.1456 -35.1456 -35.1427 -35.1427 -5.5129 -5.5129 2.3163 2.3163 5.7211 5.7211 5.7782 5.7782 10.9862 10.9862 13.5067 13.5067 13.5175 13.5175 15.6447 15.6447 k = 0.3491 0.2015 0.1425 ( 1838 PWs) bands (ev): -68.4905 -68.4905 -35.4324 -35.4324 -35.1456 -35.1456 -35.1427 -35.1427 -5.4757 -5.4757 2.2186 2.2186 5.7081 5.7081 5.7650 5.7650 10.9635 10.9635 13.4627 13.4627 13.4736 13.4736 15.7508 15.7508 k = 0.3585 0.2070 0.1464 ( 1838 PWs) bands (ev): -68.4905 -68.4905 -35.4325 -35.4325 -35.1457 -35.1457 -35.1427 -35.1427 -5.4395 -5.4395 2.1253 2.1253 5.6958 5.6958 5.7526 5.7526 10.9414 10.9414 13.4209 13.4209 13.4320 13.4320 15.8495 15.8495 k = 0.3679 0.2124 0.1502 ( 1838 PWs) bands (ev): -68.4905 -68.4905 -35.4325 -35.4325 -35.1458 -35.1458 -35.1427 -35.1427 -5.4045 -5.4045 2.0365 2.0365 5.6841 5.6841 5.7408 5.7408 10.9202 10.9202 13.3816 13.3816 13.3927 13.3927 15.9397 15.9397 k = 0.3774 0.2179 0.1541 ( 1838 PWs) bands (ev): -68.4905 -68.4905 -35.4326 -35.4326 -35.1459 -35.1459 -35.1427 -35.1427 -5.3707 -5.3707 1.9525 1.9525 5.6731 5.6731 5.7297 5.7297 10.9000 10.9000 13.3447 13.3447 13.3560 13.3560 16.0206 16.0206 k = 0.3868 0.2233 0.1579 ( 1832 PWs) bands (ev): -68.4905 -68.4905 -35.4326 -35.4326 -35.1460 -35.1460 -35.1427 -35.1427 -5.3383 -5.3383 1.8736 1.8736 5.6628 5.6628 5.7193 5.7193 10.8810 10.8810 13.3104 13.3104 13.3217 13.3217 16.0915 16.0915 k = 0.3962 0.2288 0.1618 ( 1832 PWs) bands (ev): -68.4905 -68.4905 -35.4327 -35.4327 -35.1461 -35.1461 -35.1428 -35.1428 -5.3077 -5.3077 1.8000 1.8000 5.6532 5.6532 5.7097 5.7097 10.8632 10.8632 13.2786 13.2786 13.2900 13.2900 16.1523 16.1523 k = 0.4057 0.2342 0.1656 ( 1832 PWs) bands (ev): -68.4905 -68.4905 -35.4327 -35.4327 -35.1462 -35.1462 -35.1428 -35.1428 -5.2789 -5.2789 1.7318 1.7318 5.6445 5.6445 5.7008 5.7008 10.8467 10.8467 13.2495 13.2495 13.2610 13.2610 16.2032 16.2032 k = 0.4151 0.2397 0.1695 ( 1832 PWs) bands (ev): -68.4905 -68.4905 -35.4328 -35.4328 -35.1462 -35.1462 -35.1428 -35.1428 -5.2522 -5.2522 1.6694 1.6694 5.6365 5.6365 5.6927 5.6927 10.8316 10.8316 13.2230 13.2230 13.2346 13.2346 16.2450 16.2450 k = 0.4245 0.2451 0.1733 ( 1832 PWs) bands (ev): -68.4905 -68.4905 -35.4328 -35.4328 -35.1463 -35.1463 -35.1428 -35.1428 -5.2277 -5.2277 1.6129 1.6129 5.6293 5.6293 5.6855 5.6855 10.8179 10.8179 13.1992 13.1992 13.2109 13.2109 16.2785 16.2785 k = 0.4340 0.2505 0.1772 ( 1823 PWs) bands (ev): -68.4905 -68.4905 -35.4328 -35.4328 -35.1463 -35.1463 -35.1428 -35.1428 -5.2057 -5.2057 1.5625 1.5625 5.6229 5.6229 5.6790 5.6790 10.8058 10.8058 13.1783 13.1783 13.1900 13.1900 16.3050 16.3050 k = 0.4434 0.2560 0.1810 ( 1823 PWs) bands (ev): -68.4905 -68.4905 -35.4328 -35.4328 -35.1464 -35.1464 -35.1428 -35.1428 -5.1862 -5.1862 1.5185 1.5185 5.6173 5.6173 5.6734 5.6734 10.7952 10.7952 13.1600 13.1600 13.1718 13.1718 16.3254 16.3254 k = 0.4528 0.2614 0.1849 ( 1823 PWs) bands (ev): -68.4905 -68.4905 -35.4329 -35.4329 -35.1464 -35.1464 -35.1428 -35.1428 -5.1694 -5.1694 1.4809 1.4809 5.6126 5.6126 5.6686 5.6686 10.7862 10.7862 13.1445 13.1445 13.1563 13.1563 16.3408 16.3408 k = 0.4623 0.2669 0.1887 ( 1826 PWs) bands (ev): -68.4905 -68.4905 -35.4329 -35.4329 -35.1465 -35.1465 -35.1428 -35.1428 -5.1555 -5.1555 1.4499 1.4499 5.6087 5.6087 5.6647 5.6647 10.7787 10.7787 13.1318 13.1318 13.1437 13.1437 16.3522 16.3522 k = 0.4717 0.2723 0.1926 ( 1826 PWs) bands (ev): -68.4905 -68.4905 -35.4329 -35.4329 -35.1465 -35.1465 -35.1428 -35.1428 -5.1446 -5.1446 1.4257 1.4257 5.6057 5.6057 5.6617 5.6617 10.7729 10.7729 13.1220 13.1220 13.1338 13.1338 16.3603 16.3603 k = 0.4811 0.2778 0.1964 ( 1817 PWs) bands (ev): -68.4905 -68.4905 -35.4329 -35.4329 -35.1465 -35.1465 -35.1428 -35.1428 -5.1367 -5.1367 1.4083 1.4083 5.6035 5.6035 5.6595 5.6595 10.7688 10.7688 13.1150 13.1150 13.1269 13.1269 16.3657 16.3657 k = 0.4906 0.2832 0.2003 ( 1811 PWs) bands (ev): -68.4904 -68.4904 -35.4329 -35.4329 -35.1465 -35.1465 -35.1428 -35.1428 -5.1320 -5.1320 1.3979 1.3979 5.6022 5.6022 5.6582 5.6582 10.7663 10.7663 13.1109 13.1109 13.1227 13.1227 16.3687 16.3687 k = 0.5000 0.2887 0.2041 ( 1802 PWs) bands (ev): -68.4904 -68.4904 -35.4329 -35.4329 -35.1465 -35.1465 -35.1428 -35.1428 -5.1304 -5.1304 1.3944 1.3944 5.6018 5.6018 5.6577 5.6577 10.7655 10.7655 13.1095 13.1095 13.1214 13.1214 16.3697 16.3697 k = 0.5000 0.2887 0.2041 ( 1802 PWs) bands (ev): -68.4904 -68.4904 -35.4329 -35.4329 -35.1465 -35.1465 -35.1428 -35.1428 -5.1304 -5.1304 1.3944 1.3944 5.6018 5.6018 5.6577 5.6577 10.7655 10.7655 13.1095 13.1095 13.1214 13.1214 16.3697 16.3697 k = 0.5034 0.2789 0.2096 ( 1811 PWs) bands (ev): -68.4904 -68.4904 -35.4329 -35.4329 -35.1465 -35.1465 -35.1428 -35.1428 -5.1299 -5.1299 1.3956 1.3956 5.5983 5.5983 5.6545 5.6545 10.7717 10.7717 13.1056 13.1056 13.1213 13.1213 16.3764 16.3764 k = 0.5068 0.2692 0.2152 ( 1820 PWs) bands (ev): -68.4905 -68.4905 -35.4329 -35.4329 -35.1465 -35.1465 -35.1428 -35.1428 -5.1284 -5.1284 1.3991 1.3991 5.5871 5.5871 5.6456 5.6456 10.7901 10.7901 13.0867 13.0867 13.1289 13.1289 16.3960 16.3960 k = 0.5101 0.2594 0.2207 ( 1822 PWs) bands (ev): -68.4905 -68.4905 -35.4329 -35.4329 -35.1465 -35.1465 -35.1429 -35.1429 -5.1259 -5.1259 1.4051 1.4051 5.5658 5.5658 5.6339 5.6339 10.8204 10.8204 13.0539 13.0539 13.1444 13.1444 16.4266 16.4266 k = 0.5135 0.2497 0.2262 ( 1822 PWs) bands (ev): -68.4905 -68.4905 -35.4329 -35.4329 -35.1465 -35.1465 -35.1429 -35.1429 -5.1225 -5.1225 1.4134 1.4134 5.5327 5.5327 5.6215 5.6215 10.8618 10.8618 13.0095 13.0095 13.1666 13.1666 16.4655 16.4655 k = 0.5169 0.2399 0.2317 ( 1824 PWs) bands (ev): -68.4905 -68.4905 -35.4330 -35.4330 -35.1465 -35.1465 -35.1429 -35.1429 -5.1181 -5.1181 1.4241 1.4241 5.4883 5.4883 5.6085 5.6085 10.9133 10.9133 12.9558 12.9558 13.1950 13.1950 16.5089 16.5089 k = 0.5203 0.2302 0.2372 ( 1822 PWs) bands (ev): -68.4905 -68.4905 -35.4330 -35.4330 -35.1465 -35.1465 -35.1429 -35.1429 -5.1127 -5.1127 1.4372 1.4372 5.4337 5.4337 5.5947 5.5947 10.9738 10.9738 12.8949 12.8949 13.2296 13.2296 16.5518 16.5518 k = 0.5236 0.2204 0.2427 ( 1822 PWs) bands (ev): -68.4905 -68.4905 -35.4330 -35.4330 -35.1465 -35.1465 -35.1430 -35.1430 -5.1065 -5.1065 1.4526 1.4526 5.3703 5.3703 5.5796 5.5796 11.0416 11.0416 12.8291 12.8291 13.2702 13.2702 16.5889 16.5889 k = 0.5270 0.2107 0.2483 ( 1822 PWs) bands (ev): -68.4905 -68.4905 -35.4330 -35.4330 -35.1465 -35.1465 -35.1430 -35.1430 -5.0993 -5.0993 1.4704 1.4704 5.2991 5.2991 5.5630 5.5630 11.1148 11.1148 12.7613 12.7613 13.3167 13.3167 16.6146 16.6146 k = 0.5304 0.2009 0.2538 ( 1823 PWs) bands (ev): -68.4905 -68.4905 -35.4330 -35.4330 -35.1465 -35.1465 -35.1431 -35.1431 -5.0913 -5.0913 1.4905 1.4905 5.2211 5.2211 5.5449 5.5449 11.1908 11.1908 12.6944 12.6944 13.3689 13.3689 16.6238 16.6238 k = 0.5338 0.1911 0.2593 ( 1824 PWs) bands (ev): -68.4905 -68.4905 -35.4330 -35.4330 -35.1465 -35.1465 -35.1431 -35.1431 -5.0824 -5.0824 1.5129 1.5129 5.1373 5.1373 5.5253 5.5253 11.2664 11.2664 12.6320 12.6320 13.4266 13.4266 16.6133 16.6133 k = 0.5372 0.1814 0.2648 ( 1822 PWs) bands (ev): -68.4904 -68.4904 -35.4330 -35.4330 -35.1465 -35.1465 -35.1431 -35.1431 -5.0728 -5.0728 1.5376 1.5376 5.0485 5.0485 5.5044 5.5044 11.3373 11.3373 12.5788 12.5788 13.4895 13.4895 16.5822 16.5822 k = 0.5405 0.1716 0.2703 ( 1820 PWs) bands (ev): -68.4904 -68.4904 -35.4331 -35.4331 -35.1465 -35.1465 -35.1432 -35.1432 -5.0623 -5.0623 1.5645 1.5645 4.9554 4.9554 5.4821 5.4821 11.3981 11.3981 12.5400 12.5400 13.5575 13.5575 16.5318 16.5318 k = 0.5439 0.1619 0.2758 ( 1818 PWs) bands (ev): -68.4904 -68.4904 -35.4331 -35.4331 -35.1464 -35.1464 -35.1433 -35.1433 -5.0512 -5.0512 1.5938 1.5938 4.8589 4.8589 5.4587 5.4587 11.4426 11.4426 12.5219 12.5219 13.6304 13.6304 16.4649 16.4649 k = 0.5473 0.1521 0.2814 ( 1816 PWs) bands (ev): -68.4904 -68.4904 -35.4331 -35.4331 -35.1464 -35.1464 -35.1433 -35.1433 -5.0394 -5.0394 1.6252 1.6252 4.7596 4.7596 5.4342 5.4342 11.4653 11.4653 12.5296 12.5296 13.7078 13.7078 16.3848 16.3848 k = 0.5507 0.1424 0.2869 ( 1820 PWs) bands (ev): -68.4904 -68.4904 -35.4331 -35.4331 -35.1464 -35.1464 -35.1434 -35.1434 -5.0270 -5.0270 1.6588 1.6588 4.6581 4.6581 5.4088 5.4088 11.4636 11.4636 12.5653 12.5653 13.7894 13.7894 16.2947 16.2947 k = 0.5541 0.1326 0.2924 ( 1812 PWs) bands (ev): -68.4904 -68.4904 -35.4331 -35.4331 -35.1464 -35.1464 -35.1434 -35.1434 -5.0140 -5.0140 1.6946 1.6946 4.5550 4.5550 5.3826 5.3826 11.4393 11.4393 12.6270 12.6270 13.8751 13.8751 16.1977 16.1977 k = 0.5574 0.1229 0.2979 ( 1812 PWs) bands (ev): -68.4904 -68.4904 -35.4332 -35.4332 -35.1464 -35.1464 -35.1435 -35.1435 -5.0006 -5.0006 1.7325 1.7325 4.4509 4.4509 5.3558 5.3558 11.3967 11.3967 12.7096 12.7096 13.9645 13.9645 16.0964 16.0964 k = 0.5608 0.1131 0.3034 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4332 -35.4332 -35.1464 -35.1464 -35.1436 -35.1436 -4.9867 -4.9867 1.7724 1.7724 4.3462 4.3462 5.3284 5.3284 11.3407 11.3407 12.8071 12.8071 14.0572 14.0572 15.9933 15.9933 k = 0.5642 0.1034 0.3089 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4332 -35.4332 -35.1464 -35.1464 -35.1436 -35.1436 -4.9725 -4.9725 1.8144 1.8144 4.2415 4.2415 5.3007 5.3007 11.2758 11.2758 12.9141 12.9141 14.1530 14.1530 15.8907 15.8907 k = 0.5676 0.0936 0.3145 ( 1812 PWs) bands (ev): -68.4904 -68.4904 -35.4332 -35.4332 -35.1463 -35.1463 -35.1437 -35.1437 -4.9581 -4.9581 1.8583 1.8583 4.1371 4.1371 5.2727 5.2727 11.2053 11.2053 13.0258 13.0258 14.2515 14.2515 15.7909 15.7909 k = 0.5709 0.0839 0.3200 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4333 -35.4333 -35.1463 -35.1463 -35.1438 -35.1438 -4.9434 -4.9434 1.9042 1.9042 4.0335 4.0335 5.2445 5.2445 11.1316 11.1316 13.1379 13.1379 14.3522 14.3522 15.6965 15.6965 k = 0.5743 0.0741 0.3255 ( 1816 PWs) bands (ev): -68.4904 -68.4904 -35.4333 -35.4333 -35.1463 -35.1463 -35.1439 -35.1439 -4.9287 -4.9287 1.9519 1.9519 3.9310 3.9310 5.2164 5.2164 11.0563 11.0563 13.2462 13.2462 14.4548 14.4548 15.6105 15.6105 k = 0.5777 0.0644 0.3310 ( 1818 PWs) bands (ev): -68.4904 -68.4904 -35.4333 -35.4333 -35.1463 -35.1463 -35.1440 -35.1440 -4.9139 -4.9139 2.0012 2.0012 3.8301 3.8301 5.1884 5.1884 10.9805 10.9805 13.3465 13.3465 14.5589 14.5589 15.5363 15.5363 k = 0.5811 0.0546 0.3365 ( 1822 PWs) bands (ev): -68.4904 -68.4904 -35.4334 -35.4334 -35.1463 -35.1463 -35.1440 -35.1440 -4.8992 -4.8992 2.0522 2.0522 3.7312 3.7312 5.1606 5.1606 10.9053 10.9053 13.4341 13.4341 14.6639 14.6639 15.4778 15.4778 k = 0.5845 0.0449 0.3420 ( 1822 PWs) bands (ev): -68.4904 -68.4904 -35.4334 -35.4334 -35.1463 -35.1463 -35.1441 -35.1441 -4.8847 -4.8847 2.1047 2.1047 3.6345 3.6345 5.1331 5.1331 10.8312 10.8312 13.5043 13.5043 14.7694 14.7694 15.4391 15.4391 k = 0.5878 0.0351 0.3476 ( 1819 PWs) bands (ev): -68.4904 -68.4904 -35.4334 -35.4334 -35.1463 -35.1463 -35.1442 -35.1442 -4.8705 -4.8705 2.1584 2.1584 3.5407 3.5407 5.1061 5.1061 10.7587 10.7587 13.5529 13.5529 14.8750 14.8750 15.4240 15.4240 k = 0.5912 0.0254 0.3531 ( 1819 PWs) bands (ev): -68.4904 -68.4904 -35.4335 -35.4335 -35.1463 -35.1463 -35.1442 -35.1442 -4.8568 -4.8568 2.2132 2.2132 3.4501 3.4501 5.0796 5.0796 10.6882 10.6882 13.5769 13.5769 14.9801 14.9801 15.4347 15.4347 k = 0.5946 0.0156 0.3586 ( 1817 PWs) bands (ev): -68.4904 -68.4904 -35.4335 -35.4335 -35.1463 -35.1463 -35.1443 -35.1443 -4.8435 -4.8435 2.2686 2.2686 3.3633 3.3633 5.0537 5.0537 10.6200 10.6200 13.5755 13.5755 15.0841 15.0841 15.4714 15.4714 k = 0.5980 0.0059 0.3641 ( 1818 PWs) bands (ev): -68.4904 -68.4904 -35.4335 -35.4335 -35.1463 -35.1463 -35.1443 -35.1443 -4.8308 -4.8308 2.3241 2.3241 3.2810 3.2810 5.0286 5.0286 10.5542 10.5542 13.5506 13.5506 15.1866 15.1866 15.5315 15.5315 k = 0.6014-0.0039 0.3696 ( 1816 PWs) bands (ev): -68.4904 -68.4904 -35.4335 -35.4335 -35.1463 -35.1463 -35.1444 -35.1444 -4.8189 -4.8189 2.3790 2.3790 3.2042 3.2042 5.0042 5.0042 10.4911 10.4911 13.5053 13.5053 15.2869 15.2869 15.6108 15.6108 k = 0.6047-0.0137 0.3751 ( 1815 PWs) bands (ev): -68.4904 -68.4904 -35.4335 -35.4335 -35.1463 -35.1463 -35.1444 -35.1444 -4.8078 -4.8078 2.4320 2.4320 3.1343 3.1343 4.9807 4.9807 10.4309 10.4309 13.4437 13.4437 15.3846 15.3846 15.7041 15.7041 k = 0.6081-0.0234 0.3807 ( 1817 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1463 -35.1463 -35.1445 -35.1445 -4.7977 -4.7977 2.4809 2.4809 3.0735 3.0735 4.9582 4.9582 10.3737 10.3737 13.3698 13.3698 15.4791 15.4791 15.8060 15.8060 k = 0.6115-0.0332 0.3862 ( 1813 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1463 -35.1463 -35.1445 -35.1445 -4.7887 -4.7887 2.5223 2.5223 3.0255 3.0255 4.9366 4.9366 10.3195 10.3195 13.2868 13.2868 15.5702 15.5702 15.9116 15.9116 k = 0.6149-0.0429 0.3917 ( 1815 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1463 -35.1463 -35.1445 -35.1445 -4.7809 -4.7809 2.5511 2.5511 2.9954 2.9954 4.9161 4.9161 10.2685 10.2685 13.1974 13.1974 15.6571 15.6571 16.0161 16.0161 k = 0.6182-0.0527 0.3972 ( 1815 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1463 -35.1463 -35.1446 -35.1446 -4.7744 -4.7744 2.5625 2.5625 2.9882 2.9882 4.8968 4.8968 10.2207 10.2207 13.1038 13.1038 15.7398 15.7398 16.1151 16.1151 k = 0.6216-0.0624 0.4027 ( 1818 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1463 -35.1463 -35.1446 -35.1446 -4.7693 -4.7693 2.5553 2.5553 3.0052 3.0052 4.8786 4.8786 10.1763 10.1763 13.0076 13.0076 15.8178 15.8178 16.2049 16.2049 k = 0.6250-0.0722 0.4082 ( 1822 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1463 -35.1463 -35.1446 -35.1446 -4.7658 -4.7658 2.5339 2.5339 3.0419 3.0419 4.8617 4.8617 10.1352 10.1352 12.9100 12.9100 15.8912 15.8912 16.2822 16.2822 k = 0.6250-0.0722 0.4082 ( 1822 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1463 -35.1463 -35.1446 -35.1446 -4.7658 -4.7658 2.5339 2.5339 3.0419 3.0419 4.8617 4.8617 10.1352 10.1352 12.9100 12.9100 15.8912 15.8912 16.2822 16.2822 k = 0.6193-0.0689 0.4175 ( 1822 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1463 -35.1463 -35.1446 -35.1446 -4.7656 -4.7656 2.5349 2.5349 3.0426 3.0426 4.8567 4.8567 10.1420 10.1420 12.9114 12.9114 15.8799 15.8799 16.2744 16.2744 k = 0.6136-0.0656 0.4268 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1463 -35.1463 -35.1446 -35.1446 -4.7650 -4.7650 2.5379 2.5379 3.0445 3.0445 4.8419 4.8419 10.1624 10.1624 12.9158 12.9158 15.8472 15.8472 16.2512 16.2512 k = 0.6080-0.0623 0.4361 ( 1812 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1463 -35.1463 -35.1446 -35.1446 -4.7640 -4.7640 2.5428 2.5428 3.0478 3.0478 4.8175 4.8175 10.1960 10.1960 12.9231 12.9231 15.7949 15.7949 16.2133 16.2133 k = 0.6023-0.0590 0.4454 ( 1809 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1463 -35.1463 -35.1446 -35.1446 -4.7627 -4.7627 2.5497 2.5497 3.0522 3.0522 4.7842 4.7842 10.2420 10.2420 12.9335 12.9335 15.7265 15.7265 16.1615 16.1615 k = 0.5966-0.0558 0.4546 ( 1807 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1463 -35.1463 -35.1446 -35.1446 -4.7611 -4.7611 2.5586 2.5586 3.0578 3.0578 4.7427 4.7427 10.2995 10.2995 12.9471 12.9471 15.6455 15.6455 16.0973 16.0973 k = 0.5909-0.0525 0.4639 ( 1807 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1462 -35.1462 -35.1446 -35.1446 -4.7591 -4.7591 2.5694 2.5694 3.0644 3.0644 4.6938 4.6938 10.3674 10.3674 12.9642 12.9642 15.5550 15.5550 16.0218 16.0218 k = 0.5852-0.0492 0.4732 ( 1807 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1462 -35.1462 -35.1446 -35.1446 -4.7568 -4.7568 2.5822 2.5822 3.0720 3.0720 4.6384 4.6384 10.4444 10.4444 12.9850 12.9850 15.4578 15.4578 15.9364 15.9364 k = 0.5795-0.0459 0.4825 ( 1811 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1462 -35.1462 -35.1447 -35.1447 -4.7543 -4.7543 2.5969 2.5969 3.0803 3.0803 4.5777 4.5777 10.5290 10.5290 13.0099 13.0099 15.3565 15.3565 15.8426 15.8426 k = 0.5739-0.0426 0.4918 ( 1811 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1462 -35.1462 -35.1447 -35.1447 -4.7515 -4.7515 2.6136 2.6136 3.0892 3.0892 4.5128 4.5128 10.6194 10.6194 13.0394 13.0394 15.2532 15.2532 15.7415 15.7415 k = 0.5682-0.0394 0.5010 ( 1813 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1462 -35.1462 -35.1447 -35.1447 -4.7486 -4.7486 2.6322 2.6322 3.0984 3.0984 4.4447 4.4447 10.7141 10.7141 13.0740 13.0740 15.1494 15.1494 15.6343 15.6343 k = 0.5625-0.0361 0.5103 ( 1809 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1462 -35.1462 -35.1447 -35.1447 -4.7455 -4.7455 2.6526 2.6526 3.1075 3.1075 4.3748 4.3748 10.8110 10.8110 13.1145 13.1145 15.0467 15.0467 15.5221 15.5221 k = 0.5568-0.0328 0.5196 ( 1811 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1461 -35.1461 -35.1448 -35.1448 -4.7423 -4.7423 2.6750 2.6750 3.1161 3.1161 4.3041 4.3041 10.9081 10.9081 13.1616 13.1616 14.9464 14.9464 15.4057 15.4057 k = 0.5511-0.0295 0.5289 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1461 -35.1461 -35.1448 -35.1448 -4.7391 -4.7391 2.6993 2.6993 3.1236 3.1236 4.2340 4.2340 11.0034 11.0034 13.2163 13.2163 14.8495 14.8495 15.2860 15.2860 k = 0.5455-0.0262 0.5381 ( 1812 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1461 -35.1461 -35.1448 -35.1448 -4.7359 -4.7359 2.7253 2.7253 3.1293 3.1293 4.1660 4.1660 11.0946 11.0946 13.2795 13.2795 14.7571 14.7571 15.1638 15.1638 k = 0.5398-0.0230 0.5474 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1461 -35.1461 -35.1449 -35.1449 -4.7329 -4.7329 2.7533 2.7533 3.1323 3.1323 4.1014 4.1014 11.1796 11.1796 13.3523 13.3523 14.6701 14.6701 15.0396 15.0396 k = 0.5341-0.0197 0.5567 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1461 -35.1461 -35.1449 -35.1449 -4.7299 -4.7299 2.7830 2.7830 3.1316 3.1316 4.0420 4.0420 11.2564 11.2564 13.4355 13.4355 14.5893 14.5893 14.9140 14.9140 k = 0.5284-0.0164 0.5660 ( 1810 PWs) bands (ev): -68.4903 -68.4903 -35.4337 -35.4337 -35.1461 -35.1461 -35.1449 -35.1449 -4.7273 -4.7273 2.8145 2.8145 3.1261 3.1261 3.9893 3.9893 11.3232 11.3232 13.5298 13.5298 14.5156 14.5156 14.7874 14.7874 k = 0.5227-0.0131 0.5753 ( 1816 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1461 -35.1461 -35.1450 -35.1450 -4.7249 -4.7249 2.8477 2.8477 3.1146 3.1146 3.9450 3.9450 11.3786 11.3786 13.6355 13.6355 14.4494 14.4494 14.6604 14.6604 k = 0.5170-0.0098 0.5845 ( 1810 PWs) bands (ev): -68.4903 -68.4903 -35.4337 -35.4337 -35.1460 -35.1460 -35.1450 -35.1450 -4.7229 -4.7229 2.8825 2.8825 3.0965 3.0965 3.9102 3.9102 11.4217 11.4217 13.7527 13.7527 14.3917 14.3917 14.5334 14.5334 k = 0.5114-0.0066 0.5938 ( 1800 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1460 -35.1460 -35.1449 -35.1449 -4.7214 -4.7214 2.9188 2.9188 3.0714 3.0714 3.8856 3.8856 11.4521 11.4521 13.8805 13.8805 14.3430 14.3430 14.4066 14.4066 k = 0.5057-0.0033 0.6031 ( 1800 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1460 -35.1460 -35.1449 -35.1449 -4.7204 -4.7204 2.9559 2.9559 3.0404 3.0404 3.8714 3.8714 11.4700 11.4700 14.0170 14.0170 14.2800 14.2800 14.3049 14.3049 k = 0.5000-0.0000 0.6124 ( 1800 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1460 -35.1460 -35.1449 -35.1449 -4.7201 -4.7201 2.9834 2.9834 3.0148 3.0148 3.8669 3.8669 11.4757 11.4757 14.1442 14.1442 14.1644 14.1644 14.2842 14.2842 k = 0.5000-0.0000 0.6124 ( 1800 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1460 -35.1460 -35.1449 -35.1449 -4.7201 -4.7201 2.9834 2.9834 3.0148 3.0148 3.8669 3.8669 11.4757 11.4757 14.1442 14.1442 14.1644 14.1644 14.2842 14.2842 k = 0.5000 0.0067 0.6029 ( 1800 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1460 -35.1460 -35.1449 -35.1449 -4.7207 -4.7207 2.9804 2.9804 3.0133 3.0133 3.8744 3.8744 11.4757 11.4757 14.1045 14.1045 14.1596 14.1596 14.3322 14.3322 k = 0.5000 0.0134 0.5934 ( 1802 PWs) bands (ev): -68.4903 -68.4903 -35.4337 -35.4337 -35.1460 -35.1460 -35.1449 -35.1449 -4.7225 -4.7225 2.9659 2.9659 3.0152 3.0152 3.8962 3.8962 11.4755 11.4755 14.0220 14.0220 14.1705 14.1705 14.4144 14.4144 k = 0.5000 0.0201 0.5839 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1461 -35.1461 -35.1449 -35.1449 -4.7256 -4.7256 2.9366 2.9366 3.0255 3.0255 3.9305 3.9305 11.4753 11.4753 13.9330 13.9330 14.1900 14.1900 14.5010 14.5010 k = 0.5000 0.0269 0.5744 ( 1812 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1461 -35.1461 -35.1449 -35.1449 -4.7299 -4.7299 2.8967 2.8967 3.0426 3.0426 3.9747 3.9747 11.4752 11.4752 13.8424 13.8424 14.2173 14.2173 14.5876 14.5876 k = 0.5000 0.0336 0.5649 ( 1810 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1461 -35.1461 -35.1449 -35.1449 -4.7353 -4.7353 2.8493 2.8493 3.0655 3.0655 4.0266 4.0266 11.4755 11.4755 13.7516 13.7516 14.2522 14.2522 14.6724 14.6724 k = 0.5000 0.0403 0.5554 ( 1806 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1461 -35.1461 -35.1448 -35.1448 -4.7418 -4.7418 2.7967 2.7967 3.0937 3.0937 4.0842 4.0842 11.4764 11.4764 13.6610 13.6610 14.2943 14.2943 14.7543 14.7543 k = 0.5000 0.0470 0.5459 ( 1812 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1461 -35.1461 -35.1448 -35.1448 -4.7495 -4.7495 2.7407 2.7407 3.1270 3.1270 4.1459 4.1459 11.4782 11.4782 13.5708 13.5708 14.3433 14.3433 14.8318 14.8318 k = 0.5000 0.0537 0.5364 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1461 -35.1461 -35.1448 -35.1448 -4.7581 -4.7581 2.6823 2.6823 3.1652 3.1652 4.2105 4.2105 11.4812 11.4812 13.4812 13.4812 14.3989 14.3989 14.9040 14.9040 k = 0.5000 0.0604 0.5269 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1461 -35.1461 -35.1447 -35.1447 -4.7677 -4.7677 2.6227 2.6227 3.2083 3.2083 4.2770 4.2770 11.4858 11.4858 13.3924 13.3924 14.4608 14.4608 14.9693 14.9693 k = 0.5000 0.0671 0.5174 ( 1816 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1461 -35.1461 -35.1447 -35.1447 -4.7782 -4.7782 2.5623 2.5623 3.2561 3.2561 4.3446 4.3446 11.4923 11.4923 13.3043 13.3043 14.5287 14.5287 15.0259 15.0259 k = 0.5000 0.0738 0.5079 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1461 -35.1461 -35.1446 -35.1446 -4.7895 -4.7895 2.5017 2.5017 3.3084 3.3084 4.4128 4.4128 11.5009 11.5009 13.2169 13.2169 14.6021 14.6021 15.0719 15.0719 k = 0.5000 0.0806 0.4984 ( 1816 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1462 -35.1462 -35.1446 -35.1446 -4.8015 -4.8015 2.4413 2.4413 3.3651 3.3651 4.4811 4.4811 11.5121 11.5121 13.1302 13.1302 14.6807 14.6807 15.1054 15.1054 k = 0.5000 0.0873 0.4889 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4335 -35.4335 -35.1462 -35.1462 -35.1445 -35.1445 -4.8142 -4.8142 2.3815 2.3815 3.4261 3.4261 4.5491 4.5491 11.5262 11.5262 13.0442 13.0442 14.7642 14.7642 15.1243 15.1243 k = 0.5000 0.0940 0.4795 ( 1816 PWs) bands (ev): -68.4904 -68.4904 -35.4335 -35.4335 -35.1462 -35.1462 -35.1444 -35.1444 -4.8275 -4.8275 2.3225 2.3225 3.4912 3.4912 4.6163 4.6163 11.5434 11.5434 12.9587 12.9587 14.8521 14.8521 15.1267 15.1267 k = 0.5000 0.1007 0.4700 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4335 -35.4335 -35.1462 -35.1462 -35.1443 -35.1443 -4.8413 -4.8413 2.2645 2.2645 3.5602 3.5602 4.6826 4.6826 11.5640 11.5640 12.8737 12.8737 14.9439 14.9439 15.1115 15.1115 k = 0.5000 0.1074 0.4605 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4334 -35.4334 -35.1462 -35.1462 -35.1443 -35.1443 -4.8555 -4.8555 2.2077 2.2077 3.6328 3.6328 4.7476 4.7476 11.5882 11.5882 12.7891 12.7891 15.0375 15.0375 15.0800 15.0800 k = 0.5000 0.1141 0.4510 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4334 -35.4334 -35.1462 -35.1462 -35.1442 -35.1442 -4.8700 -4.8700 2.1522 2.1522 3.7090 3.7090 4.8111 4.8111 11.6163 11.6163 12.7047 12.7047 15.0242 15.0242 15.1408 15.1408 k = 0.5000 0.1208 0.4415 ( 1816 PWs) bands (ev): -68.4904 -68.4904 -35.4334 -35.4334 -35.1463 -35.1463 -35.1441 -35.1441 -4.8848 -4.8848 2.0981 2.0981 3.7884 3.7884 4.8729 4.8729 11.6485 11.6485 12.6203 12.6203 14.9562 14.9562 15.2424 15.2424 k = 0.5000 0.1276 0.4320 ( 1816 PWs) bands (ev): -68.4904 -68.4904 -35.4334 -35.4334 -35.1463 -35.1463 -35.1440 -35.1440 -4.8997 -4.8997 2.0456 2.0456 3.8709 3.8709 4.9328 4.9328 11.6848 11.6848 12.5358 12.5358 14.8730 14.8730 15.3470 15.3470 k = 0.5000 0.1343 0.4225 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4333 -35.4333 -35.1463 -35.1463 -35.1440 -35.1440 -4.9147 -4.9147 1.9948 1.9948 3.9561 3.9561 4.9907 4.9907 11.7254 11.7254 12.4510 12.4510 14.7775 14.7775 15.4537 15.4537 k = 0.5000 0.1410 0.4130 ( 1808 PWs) bands (ev): -68.4904 -68.4904 -35.4333 -35.4333 -35.1463 -35.1463 -35.1439 -35.1439 -4.9297 -4.9297 1.9457 1.9457 4.0438 4.0438 5.0464 5.0464 11.7703 11.7703 12.3657 12.3657 14.6727 14.6727 15.5621 15.5621 k = 0.5000 0.1477 0.4035 ( 1808 PWs) bands (ev): -68.4904 -68.4904 -35.4333 -35.4333 -35.1463 -35.1463 -35.1438 -35.1438 -4.9446 -4.9446 1.8983 1.8983 4.1337 4.1337 5.0997 5.0997 11.8195 11.8195 12.2796 12.2796 14.5612 14.5612 15.6716 15.6716 k = 0.5000 0.1544 0.3940 ( 1812 PWs) bands (ev): -68.4904 -68.4904 -35.4332 -35.4332 -35.1463 -35.1463 -35.1437 -35.1437 -4.9594 -4.9594 1.8529 1.8529 4.2254 4.2254 5.1506 5.1506 11.8730 11.8730 12.1926 12.1926 14.4456 14.4456 15.7814 15.7814 k = 0.5000 0.1611 0.3845 ( 1810 PWs) bands (ev): -68.4904 -68.4904 -35.4332 -35.4332 -35.1463 -35.1463 -35.1436 -35.1436 -4.9739 -4.9739 1.8094 1.8094 4.3187 4.3187 5.1990 5.1990 11.9307 11.9307 12.1046 12.1046 14.3284 14.3284 15.8909 15.8909 k = 0.5000 0.1678 0.3750 ( 1810 PWs) bands (ev): -68.4904 -68.4904 -35.4332 -35.4332 -35.1464 -35.1464 -35.1436 -35.1436 -4.9881 -4.9881 1.7678 1.7678 4.4132 4.4132 5.2448 5.2448 11.9910 11.9910 12.0170 12.0170 14.2115 14.2115 15.9991 15.9991 k = 0.5000 0.1745 0.3655 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4332 -35.4332 -35.1464 -35.1464 -35.1435 -35.1435 -5.0019 -5.0019 1.7283 1.7283 4.5083 4.5083 5.2881 5.2881 11.9244 11.9244 12.0588 12.0588 14.0968 14.0968 16.1048 16.1048 k = 0.5000 0.1813 0.3560 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4331 -35.4331 -35.1464 -35.1464 -35.1434 -35.1434 -5.0152 -5.0152 1.6909 1.6909 4.6037 4.6037 5.3286 5.3286 11.8331 11.8331 12.1279 12.1279 13.9858 13.9858 16.2068 16.2068 k = 0.5000 0.1880 0.3465 ( 1820 PWs) bands (ev): -68.4904 -68.4904 -35.4331 -35.4331 -35.1464 -35.1464 -35.1434 -35.1434 -5.0281 -5.0281 1.6555 1.6555 4.6989 4.6989 5.3666 5.3666 11.7407 11.7407 12.2004 12.2004 13.8795 13.8795 16.3032 16.3032 k = 0.5000 0.1947 0.3370 ( 1820 PWs) bands (ev): -68.4904 -68.4904 -35.4331 -35.4331 -35.1464 -35.1464 -35.1433 -35.1433 -5.0404 -5.0404 1.6223 1.6223 4.7934 4.7934 5.4019 5.4019 11.6478 11.6478 12.2758 12.2758 13.7791 13.7791 16.3920 16.3920 k = 0.5000 0.2014 0.3275 ( 1822 PWs) bands (ev): -68.4904 -68.4904 -35.4331 -35.4331 -35.1465 -35.1465 -35.1433 -35.1433 -5.0521 -5.0521 1.5912 1.5912 4.8864 4.8864 5.4345 5.4345 11.5547 11.5547 12.3534 12.3534 13.6852 13.6852 16.4704 16.4704 k = 0.5000 0.2081 0.3181 ( 1816 PWs) bands (ev): -68.4904 -68.4904 -35.4330 -35.4330 -35.1464 -35.1464 -35.1432 -35.1432 -5.0631 -5.0631 1.5624 1.5624 4.9775 4.9775 5.4646 5.4646 11.4623 11.4623 12.4328 12.4328 13.5983 13.5983 16.5356 16.5356 k = 0.5000 0.2148 0.3086 ( 1820 PWs) bands (ev): -68.4904 -68.4904 -35.4330 -35.4330 -35.1465 -35.1465 -35.1431 -35.1431 -5.0734 -5.0734 1.5358 1.5358 5.0658 5.0658 5.4921 5.4921 11.3711 11.3711 12.5131 12.5131 13.5186 13.5186 16.5843 16.5843 k = 0.5000 0.2215 0.2991 ( 1820 PWs) bands (ev): -68.4904 -68.4904 -35.4330 -35.4330 -35.1465 -35.1465 -35.1431 -35.1431 -5.0830 -5.0830 1.5114 1.5114 5.1507 5.1507 5.5171 5.5171 11.2823 11.2823 12.5935 12.5935 13.4464 13.4464 16.6139 16.6139 k = 0.5000 0.2283 0.2896 ( 1820 PWs) bands (ev): -68.4904 -68.4904 -35.4330 -35.4330 -35.1465 -35.1465 -35.1430 -35.1430 -5.0918 -5.0918 1.4893 1.4893 5.2312 5.2312 5.5396 5.5396 11.1969 11.1969 12.6729 12.6729 13.3817 13.3817 16.6233 16.6233 k = 0.5000 0.2350 0.2801 ( 1820 PWs) bands (ev): -68.4905 -68.4905 -35.4330 -35.4330 -35.1465 -35.1465 -35.1430 -35.1430 -5.0997 -5.0997 1.4694 1.4694 5.3064 5.3064 5.5599 5.5599 11.1159 11.1159 12.7503 12.7503 13.3244 13.3244 16.6133 16.6133 k = 0.5000 0.2417 0.2706 ( 1820 PWs) bands (ev): -68.4905 -68.4905 -35.4330 -35.4330 -35.1465 -35.1465 -35.1430 -35.1430 -5.1068 -5.1068 1.4519 1.4519 5.3754 5.3754 5.5779 5.5779 11.0406 11.0406 12.8242 12.8242 13.2744 13.2744 16.5873 16.5873 k = 0.5000 0.2484 0.2611 ( 1820 PWs) bands (ev): -68.4905 -68.4905 -35.4330 -35.4330 -35.1465 -35.1465 -35.1429 -35.1429 -5.1130 -5.1130 1.4367 1.4367 5.4372 5.4372 5.5940 5.5940 10.9721 10.9721 12.8933 12.8933 13.2315 13.2315 16.5502 16.5502 k = 0.5000 0.2551 0.2516 ( 1820 PWs) bands (ev): -68.4905 -68.4905 -35.4329 -35.4329 -35.1465 -35.1465 -35.1429 -35.1429 -5.1182 -5.1182 1.4238 1.4238 5.4904 5.4904 5.6084 5.6084 10.9118 10.9118 12.9558 12.9558 13.1957 13.1957 16.5074 16.5074 k = 0.5000 0.2618 0.2421 ( 1822 PWs) bands (ev): -68.4905 -68.4905 -35.4329 -35.4329 -35.1465 -35.1465 -35.1429 -35.1429 -5.1226 -5.1226 1.4132 1.4132 5.5339 5.5339 5.6216 5.6216 10.8606 10.8606 13.0101 13.0101 13.1666 13.1666 16.4645 16.4645 k = 0.5000 0.2685 0.2326 ( 1822 PWs) bands (ev): -68.4905 -68.4905 -35.4329 -35.4329 -35.1465 -35.1465 -35.1429 -35.1429 -5.1260 -5.1260 1.4050 1.4050 5.5663 5.5663 5.6341 5.6341 10.8197 10.8197 13.0544 13.0544 13.1443 13.1443 16.4259 16.4259 k = 0.5000 0.2752 0.2231 ( 1820 PWs) bands (ev): -68.4905 -68.4905 -35.4329 -35.4329 -35.1465 -35.1465 -35.1428 -35.1428 -5.1284 -5.1284 1.3991 1.3991 5.5873 5.5873 5.6458 5.6458 10.7898 10.7898 13.0870 13.0870 13.1288 13.1288 16.3957 16.3957 k = 0.5000 0.2820 0.2136 ( 1812 PWs) bands (ev): -68.4904 -68.4904 -35.4329 -35.4329 -35.1465 -35.1465 -35.1428 -35.1428 -5.1299 -5.1299 1.3956 1.3956 5.5984 5.5984 5.6545 5.6545 10.7716 10.7716 13.1056 13.1056 13.1213 13.1213 16.3764 16.3764 k = 0.5000 0.2887 0.2041 ( 1802 PWs) bands (ev): -68.4904 -68.4904 -35.4329 -35.4329 -35.1465 -35.1465 -35.1428 -35.1428 -5.1304 -5.1304 1.3944 1.3944 5.6018 5.6018 5.6577 5.6577 10.7655 10.7655 13.1095 13.1095 13.1214 13.1214 16.3697 16.3697 k = 0.5000 0.2887 0.2041 ( 1802 PWs) bands (ev): -68.4904 -68.4904 -35.4329 -35.4329 -35.1465 -35.1465 -35.1428 -35.1428 -5.1304 -5.1304 1.3944 1.3944 5.6018 5.6018 5.6577 5.6577 10.7655 10.7655 13.1095 13.1095 13.1214 13.1214 16.3697 16.3697 k = 0.4966 0.2867 0.2152 ( 1811 PWs) bands (ev): -68.4904 -68.4904 -35.4329 -35.4329 -35.1465 -35.1465 -35.1428 -35.1428 -5.1299 -5.1299 1.3956 1.3956 5.5983 5.5983 5.6545 5.6545 10.7717 10.7717 13.1056 13.1056 13.1213 13.1213 16.3764 16.3764 k = 0.4932 0.2848 0.2262 ( 1820 PWs) bands (ev): -68.4905 -68.4905 -35.4329 -35.4329 -35.1465 -35.1465 -35.1428 -35.1428 -5.1284 -5.1284 1.3991 1.3991 5.5871 5.5871 5.6456 5.6456 10.7901 10.7901 13.0867 13.0867 13.1289 13.1289 16.3960 16.3960 k = 0.4899 0.2828 0.2372 ( 1822 PWs) bands (ev): -68.4905 -68.4905 -35.4329 -35.4329 -35.1465 -35.1465 -35.1429 -35.1429 -5.1259 -5.1259 1.4051 1.4051 5.5658 5.5658 5.6339 5.6339 10.8204 10.8204 13.0539 13.0539 13.1444 13.1444 16.4266 16.4266 k = 0.4865 0.2809 0.2483 ( 1822 PWs) bands (ev): -68.4905 -68.4905 -35.4329 -35.4329 -35.1465 -35.1465 -35.1429 -35.1429 -5.1225 -5.1225 1.4134 1.4134 5.5327 5.5327 5.6215 5.6215 10.8618 10.8618 13.0095 13.0095 13.1666 13.1666 16.4655 16.4655 k = 0.4831 0.2789 0.2593 ( 1824 PWs) bands (ev): -68.4905 -68.4905 -35.4330 -35.4330 -35.1465 -35.1465 -35.1429 -35.1429 -5.1181 -5.1181 1.4241 1.4241 5.4883 5.4883 5.6085 5.6085 10.9133 10.9133 12.9558 12.9558 13.1950 13.1950 16.5089 16.5089 k = 0.4797 0.2770 0.2703 ( 1822 PWs) bands (ev): -68.4905 -68.4905 -35.4330 -35.4330 -35.1465 -35.1465 -35.1429 -35.1429 -5.1127 -5.1127 1.4372 1.4372 5.4338 5.4338 5.5947 5.5947 10.9738 10.9738 12.8949 12.8949 13.2296 13.2296 16.5518 16.5518 k = 0.4764 0.2750 0.2814 ( 1822 PWs) bands (ev): -68.4905 -68.4905 -35.4330 -35.4330 -35.1465 -35.1465 -35.1430 -35.1430 -5.1065 -5.1065 1.4526 1.4526 5.3703 5.3703 5.5796 5.5796 11.0416 11.0416 12.8291 12.8291 13.2702 13.2702 16.5889 16.5889 k = 0.4730 0.2731 0.2924 ( 1822 PWs) bands (ev): -68.4905 -68.4905 -35.4330 -35.4330 -35.1465 -35.1465 -35.1430 -35.1430 -5.0993 -5.0993 1.4704 1.4704 5.2991 5.2991 5.5630 5.5630 11.1148 11.1148 12.7613 12.7613 13.3167 13.3167 16.6146 16.6146 k = 0.4696 0.2711 0.3034 ( 1823 PWs) bands (ev): -68.4905 -68.4905 -35.4330 -35.4330 -35.1465 -35.1465 -35.1431 -35.1431 -5.0913 -5.0913 1.4905 1.4905 5.2211 5.2211 5.5449 5.5449 11.1908 11.1908 12.6944 12.6944 13.3689 13.3689 16.6238 16.6238 k = 0.4662 0.2692 0.3145 ( 1824 PWs) bands (ev): -68.4905 -68.4905 -35.4330 -35.4330 -35.1465 -35.1465 -35.1431 -35.1431 -5.0824 -5.0824 1.5129 1.5129 5.1373 5.1373 5.5253 5.5253 11.2664 11.2664 12.6320 12.6320 13.4266 13.4266 16.6133 16.6133 k = 0.4628 0.2672 0.3255 ( 1822 PWs) bands (ev): -68.4904 -68.4904 -35.4330 -35.4330 -35.1465 -35.1465 -35.1431 -35.1431 -5.0728 -5.0728 1.5376 1.5376 5.0485 5.0485 5.5044 5.5044 11.3373 11.3373 12.5788 12.5788 13.4895 13.4895 16.5822 16.5822 k = 0.4595 0.2653 0.3365 ( 1820 PWs) bands (ev): -68.4904 -68.4904 -35.4331 -35.4331 -35.1465 -35.1465 -35.1432 -35.1432 -5.0623 -5.0623 1.5645 1.5645 4.9554 4.9554 5.4821 5.4821 11.3981 11.3981 12.5400 12.5400 13.5575 13.5575 16.5318 16.5318 k = 0.4561 0.2633 0.3476 ( 1818 PWs) bands (ev): -68.4904 -68.4904 -35.4331 -35.4331 -35.1464 -35.1464 -35.1433 -35.1433 -5.0512 -5.0512 1.5938 1.5938 4.8589 4.8589 5.4587 5.4587 11.4426 11.4426 12.5219 12.5219 13.6304 13.6304 16.4649 16.4649 k = 0.4527 0.2614 0.3586 ( 1816 PWs) bands (ev): -68.4904 -68.4904 -35.4331 -35.4331 -35.1464 -35.1464 -35.1433 -35.1433 -5.0394 -5.0394 1.6252 1.6252 4.7596 4.7596 5.4342 5.4342 11.4653 11.4653 12.5296 12.5296 13.7078 13.7078 16.3848 16.3848 k = 0.4493 0.2594 0.3696 ( 1820 PWs) bands (ev): -68.4904 -68.4904 -35.4331 -35.4331 -35.1464 -35.1464 -35.1434 -35.1434 -5.0270 -5.0270 1.6588 1.6588 4.6581 4.6581 5.4088 5.4088 11.4636 11.4636 12.5653 12.5653 13.7894 13.7894 16.2947 16.2947 k = 0.4459 0.2575 0.3807 ( 1812 PWs) bands (ev): -68.4904 -68.4904 -35.4331 -35.4331 -35.1464 -35.1464 -35.1434 -35.1434 -5.0140 -5.0140 1.6946 1.6946 4.5550 4.5550 5.3826 5.3826 11.4393 11.4393 12.6270 12.6270 13.8751 13.8751 16.1977 16.1977 k = 0.4426 0.2555 0.3917 ( 1812 PWs) bands (ev): -68.4904 -68.4904 -35.4332 -35.4332 -35.1464 -35.1464 -35.1435 -35.1435 -5.0006 -5.0006 1.7325 1.7325 4.4509 4.4509 5.3558 5.3558 11.3967 11.3967 12.7096 12.7096 13.9645 13.9645 16.0964 16.0964 k = 0.4392 0.2536 0.4027 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4332 -35.4332 -35.1464 -35.1464 -35.1436 -35.1436 -4.9867 -4.9867 1.7724 1.7724 4.3462 4.3462 5.3284 5.3284 11.3407 11.3407 12.8071 12.8071 14.0572 14.0572 15.9933 15.9933 k = 0.4358 0.2516 0.4138 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4332 -35.4332 -35.1464 -35.1464 -35.1436 -35.1436 -4.9725 -4.9725 1.8144 1.8144 4.2415 4.2415 5.3007 5.3007 11.2758 11.2758 12.9141 12.9141 14.1530 14.1530 15.8907 15.8907 k = 0.4324 0.2497 0.4248 ( 1812 PWs) bands (ev): -68.4904 -68.4904 -35.4332 -35.4332 -35.1463 -35.1463 -35.1437 -35.1437 -4.9581 -4.9581 1.8583 1.8583 4.1371 4.1371 5.2727 5.2727 11.2053 11.2053 13.0258 13.0258 14.2515 14.2515 15.7909 15.7909 k = 0.4291 0.2477 0.4358 ( 1814 PWs) bands (ev): -68.4904 -68.4904 -35.4333 -35.4333 -35.1463 -35.1463 -35.1438 -35.1438 -4.9434 -4.9434 1.9042 1.9042 4.0335 4.0335 5.2445 5.2445 11.1316 11.1316 13.1379 13.1379 14.3522 14.3522 15.6965 15.6965 k = 0.4257 0.2458 0.4469 ( 1816 PWs) bands (ev): -68.4904 -68.4904 -35.4333 -35.4333 -35.1463 -35.1463 -35.1439 -35.1439 -4.9287 -4.9287 1.9519 1.9519 3.9310 3.9310 5.2164 5.2164 11.0563 11.0563 13.2462 13.2462 14.4548 14.4548 15.6105 15.6105 k = 0.4223 0.2438 0.4579 ( 1818 PWs) bands (ev): -68.4904 -68.4904 -35.4333 -35.4333 -35.1463 -35.1463 -35.1440 -35.1440 -4.9139 -4.9139 2.0012 2.0012 3.8301 3.8301 5.1884 5.1884 10.9805 10.9805 13.3465 13.3465 14.5589 14.5589 15.5363 15.5363 k = 0.4189 0.2419 0.4689 ( 1822 PWs) bands (ev): -68.4904 -68.4904 -35.4334 -35.4334 -35.1463 -35.1463 -35.1440 -35.1440 -4.8992 -4.8992 2.0522 2.0522 3.7312 3.7312 5.1606 5.1606 10.9053 10.9053 13.4341 13.4341 14.6639 14.6639 15.4778 15.4778 k = 0.4155 0.2399 0.4800 ( 1822 PWs) bands (ev): -68.4904 -68.4904 -35.4334 -35.4334 -35.1463 -35.1463 -35.1441 -35.1441 -4.8847 -4.8847 2.1047 2.1047 3.6345 3.6345 5.1331 5.1331 10.8312 10.8312 13.5043 13.5043 14.7694 14.7694 15.4391 15.4391 k = 0.4122 0.2380 0.4910 ( 1819 PWs) bands (ev): -68.4904 -68.4904 -35.4334 -35.4334 -35.1463 -35.1463 -35.1442 -35.1442 -4.8705 -4.8705 2.1584 2.1584 3.5407 3.5407 5.1061 5.1061 10.7587 10.7587 13.5529 13.5529 14.8750 14.8750 15.4240 15.4240 k = 0.4088 0.2360 0.5020 ( 1819 PWs) bands (ev): -68.4904 -68.4904 -35.4335 -35.4335 -35.1463 -35.1463 -35.1442 -35.1442 -4.8568 -4.8568 2.2132 2.2132 3.4501 3.4501 5.0796 5.0796 10.6882 10.6882 13.5769 13.5769 14.9801 14.9801 15.4347 15.4347 k = 0.4054 0.2341 0.5131 ( 1817 PWs) bands (ev): -68.4904 -68.4904 -35.4335 -35.4335 -35.1463 -35.1463 -35.1443 -35.1443 -4.8435 -4.8435 2.2686 2.2686 3.3633 3.3633 5.0537 5.0537 10.6200 10.6200 13.5755 13.5755 15.0841 15.0841 15.4714 15.4714 k = 0.4020 0.2321 0.5241 ( 1818 PWs) bands (ev): -68.4904 -68.4904 -35.4335 -35.4335 -35.1463 -35.1463 -35.1443 -35.1443 -4.8308 -4.8308 2.3241 2.3241 3.2810 3.2810 5.0286 5.0286 10.5542 10.5542 13.5506 13.5506 15.1866 15.1866 15.5315 15.5315 k = 0.3986 0.2302 0.5351 ( 1816 PWs) bands (ev): -68.4904 -68.4904 -35.4335 -35.4335 -35.1463 -35.1463 -35.1444 -35.1444 -4.8189 -4.8189 2.3790 2.3790 3.2042 3.2042 5.0042 5.0042 10.4911 10.4911 13.5053 13.5053 15.2869 15.2869 15.6108 15.6108 k = 0.3953 0.2282 0.5462 ( 1815 PWs) bands (ev): -68.4904 -68.4904 -35.4335 -35.4335 -35.1463 -35.1463 -35.1444 -35.1444 -4.8078 -4.8078 2.4320 2.4320 3.1343 3.1343 4.9807 4.9807 10.4309 10.4309 13.4437 13.4437 15.3846 15.3846 15.7041 15.7041 k = 0.3919 0.2263 0.5572 ( 1817 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1463 -35.1463 -35.1445 -35.1445 -4.7977 -4.7977 2.4809 2.4809 3.0735 3.0735 4.9582 4.9582 10.3737 10.3737 13.3698 13.3698 15.4791 15.4791 15.8060 15.8060 k = 0.3885 0.2243 0.5682 ( 1813 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1463 -35.1463 -35.1445 -35.1445 -4.7887 -4.7887 2.5223 2.5223 3.0255 3.0255 4.9366 4.9366 10.3195 10.3195 13.2868 13.2868 15.5702 15.5702 15.9116 15.9116 k = 0.3851 0.2224 0.5793 ( 1815 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1463 -35.1463 -35.1445 -35.1445 -4.7809 -4.7809 2.5511 2.5511 2.9954 2.9954 4.9161 4.9161 10.2685 10.2685 13.1974 13.1974 15.6571 15.6571 16.0161 16.0161 k = 0.3818 0.2204 0.5903 ( 1815 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1463 -35.1463 -35.1446 -35.1446 -4.7744 -4.7744 2.5625 2.5625 2.9882 2.9882 4.8968 4.8968 10.2207 10.2207 13.1038 13.1038 15.7398 15.7398 16.1151 16.1151 k = 0.3784 0.2185 0.6013 ( 1818 PWs) bands (ev): -68.4904 -68.4904 -35.4336 -35.4336 -35.1463 -35.1463 -35.1446 -35.1446 -4.7693 -4.7693 2.5553 2.5553 3.0052 3.0052 4.8786 4.8786 10.1763 10.1763 13.0076 13.0076 15.8178 15.8178 16.2049 16.2049 k = 0.3750 0.2165 0.6124 ( 1822 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1463 -35.1463 -35.1446 -35.1446 -4.7658 -4.7658 2.5339 2.5339 3.0419 3.0419 4.8617 4.8617 10.1352 10.1352 12.9100 12.9100 15.8912 15.8912 16.2822 16.2822 k = 0.6250-0.0722 0.4082 ( 1822 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1463 -35.1463 -35.1446 -35.1446 -4.7658 -4.7658 2.5339 2.5339 3.0419 3.0419 4.8617 4.8617 10.1352 10.1352 12.9100 12.9100 15.8912 15.8912 16.2822 16.2822 k = 0.6193-0.0820 0.4082 ( 1822 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1463 -35.1463 -35.1446 -35.1446 -4.7616 -4.7616 2.4905 2.4905 3.1185 3.1185 4.8348 4.8348 10.0695 10.0695 12.7443 12.7443 16.0122 16.0122 16.4004 16.4004 k = 0.6136-0.0919 0.4082 ( 1816 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1463 -35.1463 -35.1446 -35.1446 -4.7584 -4.7584 2.4489 2.4489 3.1981 3.1981 4.8089 4.8089 10.0048 10.0048 12.5775 12.5775 16.1364 16.1364 16.5189 16.5189 k = 0.6080-0.1017 0.4082 ( 1816 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1463 -35.1463 -35.1446 -35.1446 -4.7560 -4.7560 2.4092 2.4092 3.2803 3.2803 4.7839 4.7839 9.9410 9.9410 12.4112 12.4112 16.2637 16.2637 16.6376 16.6376 k = 0.6023-0.1115 0.4082 ( 1816 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1464 -35.1464 -35.1446 -35.1446 -4.7543 -4.7543 2.3715 2.3715 3.3648 3.3648 4.7601 4.7601 9.8780 9.8780 12.2467 12.2467 16.3939 16.3939 16.7561 16.7561 k = 0.5966-0.1214 0.4082 ( 1816 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1464 -35.1464 -35.1446 -35.1446 -4.7534 -4.7534 2.3356 2.3356 3.4512 3.4512 4.7373 4.7373 9.8157 9.8157 12.0852 12.0852 16.5271 16.5271 16.8741 16.8741 k = 0.5909-0.1312 0.4082 ( 1816 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1464 -35.1464 -35.1446 -35.1446 -4.7529 -4.7529 2.3017 2.3017 3.5389 3.5389 4.7157 4.7157 9.7538 9.7538 11.9279 11.9279 16.6632 16.6632 16.9913 16.9913 k = 0.5852-0.1411 0.4082 ( 1812 PWs) bands (ev): -68.4904 -68.4904 -35.4337 -35.4337 -35.1464 -35.1464 -35.1445 -35.1445 -4.7530 -4.7530 2.2698 2.2698 3.6275 3.6275 4.6953 4.6953 9.6923 9.6923 11.7759 11.7759 16.8021 16.8021 17.1073 17.1073 k = 0.5795-0.1509 0.4082 ( 1804 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1464 -35.1464 -35.1445 -35.1445 -4.7535 -4.7535 2.2399 2.2399 3.7164 3.7164 4.6761 4.6761 9.6310 9.6310 11.6303 11.6303 16.9437 16.9437 17.2217 17.2217 k = 0.5739-0.1607 0.4082 ( 1804 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1464 -35.1464 -35.1445 -35.1445 -4.7543 -4.7543 2.2119 2.2119 3.8049 3.8049 4.6580 4.6580 9.5699 9.5699 11.4920 11.4920 17.0878 17.0878 17.3338 17.3338 k = 0.5682-0.1706 0.4082 ( 1804 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1464 -35.1464 -35.1445 -35.1445 -4.7553 -4.7553 2.1860 2.1860 3.8924 3.8924 4.6413 4.6413 9.5090 9.5090 11.3620 11.3620 17.2344 17.2344 17.4433 17.4433 k = 0.5625-0.1804 0.4082 ( 1802 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1465 -35.1465 -35.1444 -35.1444 -4.7565 -4.7565 2.1621 2.1621 3.9780 3.9780 4.6259 4.6259 9.4485 9.4485 11.2411 11.2411 17.3833 17.3833 17.5495 17.5495 k = 0.5568-0.1903 0.4082 ( 1806 PWs) bands (ev): -68.4903 -68.4903 -35.4337 -35.4337 -35.1465 -35.1465 -35.1444 -35.1444 -4.7579 -4.7579 2.1403 2.1403 4.0610 4.0610 4.6117 4.6117 9.3887 9.3887 11.1299 11.1299 17.5342 17.5342 17.6516 17.6516 k = 0.5511-0.2001 0.4082 ( 1806 PWs) bands (ev): -68.4903 -68.4903 -35.4337 -35.4337 -35.1465 -35.1465 -35.1444 -35.1444 -4.7593 -4.7593 2.1205 2.1205 4.1405 4.1405 4.5990 4.5990 9.3301 9.3301 11.0291 11.0291 17.6865 17.6865 17.7495 17.7495 k = 0.5455-0.2099 0.4082 ( 1798 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1465 -35.1465 -35.1444 -35.1444 -4.7607 -4.7607 2.1028 2.1028 4.2155 4.2155 4.5876 4.5876 9.2734 9.2734 10.9389 10.9389 17.8302 17.8302 17.8517 17.8517 k = 0.5398-0.2198 0.4082 ( 1802 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1465 -35.1465 -35.1444 -35.1444 -4.7620 -4.7620 2.0871 2.0871 4.2849 4.2849 4.5778 4.5778 9.2194 9.2194 10.8597 10.8597 17.9216 17.9216 18.0006 18.0006 k = 0.5341-0.2296 0.4082 ( 1798 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1465 -35.1465 -35.1444 -35.1444 -4.7633 -4.7633 2.0735 2.0735 4.3476 4.3476 4.5695 4.5695 9.1692 9.1692 10.7915 10.7915 17.9987 17.9987 18.1564 18.1564 k = 0.5284-0.2395 0.4082 ( 1794 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1465 -35.1465 -35.1443 -35.1443 -4.7644 -4.7644 2.0620 2.0620 4.4024 4.4024 4.5629 4.5629 9.1239 9.1239 10.7342 10.7342 18.0663 18.0663 18.3122 18.3122 k = 0.5227-0.2493 0.4082 ( 1784 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1465 -35.1465 -35.1443 -35.1443 -4.7654 -4.7654 2.0526 2.0526 4.4480 4.4480 4.5586 4.5586 9.0847 9.0847 10.6878 10.6878 18.1235 18.1235 18.4656 18.4656 k = 0.5170-0.2592 0.4082 ( 1784 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1465 -35.1465 -35.1443 -35.1443 -4.7662 -4.7662 2.0453 2.0453 4.4825 4.4825 4.5572 4.5572 9.0528 9.0528 10.6519 10.6519 18.1693 18.1693 18.6127 18.6127 k = 0.5114-0.2690 0.4082 ( 1780 PWs) bands (ev): -68.4903 -68.4903 -35.4336 -35.4336 -35.1465 -35.1465 -35.1442 -35.1442 -4.7668 -4.7668 2.0400 2.0400 4.5044 4.5044 4.5596 4.5596 9.0292 9.0292 10.6264 10.6264 18.2028 18.2028 18.7457 18.7457 k = 0.5057-0.2788 0.4082 ( 1772 PWs) bands (ev): -68.4903 -68.4903 -35.4335 -35.4335 -35.1465 -35.1465 -35.1442 -35.1442 -4.7671 -4.7671 2.0369 2.0369 4.5147 4.5147 4.5642 4.5642 9.0147 9.0147 10.6112 10.6112 18.2233 18.2233 18.8474 18.8474 k = 0.5000-0.2887 0.4082 ( 1772 PWs) bands (ev): -68.4903 -68.4903 -35.4335 -35.4335 -35.1465 -35.1465 -35.1442 -35.1442 -4.7672 -4.7672 2.0358 2.0358 4.5173 4.5173 4.5665 4.5665 9.0098 9.0098 10.6062 10.6062 18.2301 18.2301 18.8879 18.8879 Writing output data file MgS.save init_run : 0.14s CPU 0.24s WALL ( 1 calls) electrons : 35.72s CPU 36.74s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 35.71s CPU 36.73s 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 : 0.02s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 403 calls) cegterg : 32.70s CPU 33.44s WALL ( 453 calls) Called by sum_band: Called by *egterg: h_psi : 16.38s CPU 17.01s WALL ( 6741 calls) s_psi : 0.52s CPU 0.52s WALL ( 6741 calls) g_psi : 0.05s CPU 0.05s WALL ( 5885 calls) cdiaghg : 15.10s CPU 15.37s WALL ( 6288 calls) cegterg:over : 0.99s CPU 1.01s WALL ( 5885 calls) cegterg:upda : 0.82s CPU 0.79s WALL ( 5885 calls) cegterg:last : 0.48s CPU 0.45s WALL ( 1259 calls) cdiaghg:chol : 0.83s CPU 0.80s WALL ( 6288 calls) cdiaghg:inve : 0.24s CPU 0.26s WALL ( 6288 calls) cdiaghg:para : 1.11s CPU 1.04s WALL ( 12576 calls) Called by h_psi: h_psi:vloc : 15.20s CPU 15.73s WALL ( 6741 calls) h_psi:vnl : 1.16s CPU 1.26s WALL ( 6741 calls) add_vuspsi : 0.61s CPU 0.64s WALL ( 6741 calls) General routines calbec : 0.53s CPU 0.60s WALL ( 6741 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 14.20s CPU 14.62s WALL ( 340280 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.04s CPU 0.13s WALL ( 806 calls) Parallel routines fft_scatter : 6.89s CPU 7.22s WALL ( 340303 calls) PWSCF : 43.12s CPU 52.90s WALL This run was terminated on: 20:38: 1 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=