Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 3:25 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: ./SrO.save/ 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 29 17 5 637 275 45 Max 30 18 6 640 288 48 Sum 1069 613 187 22995 10081 1687 bravais-lattice index = 14 lattice parameter (alat) = 6.8968 a.u. unit-cell volume = 231.9631 (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 = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.896752 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 O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 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 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Sr 10.00 87.62000 Sr( 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= 406 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 2) = ( 0.0081967 -0.0047324 0.0066926), wk = 0.0024631 k( 3) = ( 0.0163934 -0.0094648 0.0133852), wk = 0.0024631 k( 4) = ( 0.0245902 -0.0141971 0.0200778), wk = 0.0024631 k( 5) = ( 0.0327869 -0.0189295 0.0267704), wk = 0.0024631 k( 6) = ( 0.0409836 -0.0236619 0.0334630), wk = 0.0024631 k( 7) = ( 0.0491803 -0.0283943 0.0401556), wk = 0.0024631 k( 8) = ( 0.0573770 -0.0331267 0.0468482), wk = 0.0024631 k( 9) = ( 0.0655738 -0.0378590 0.0535408), wk = 0.0024631 k( 10) = ( 0.0737705 -0.0425914 0.0602334), wk = 0.0024631 k( 11) = ( 0.0819672 -0.0473238 0.0669259), wk = 0.0024631 k( 12) = ( 0.0901639 -0.0520562 0.0736185), wk = 0.0024631 k( 13) = ( 0.0983607 -0.0567886 0.0803111), wk = 0.0024631 k( 14) = ( 0.1065574 -0.0615209 0.0870037), wk = 0.0024631 k( 15) = ( 0.1147541 -0.0662533 0.0936963), wk = 0.0024631 k( 16) = ( 0.1229508 -0.0709857 0.1003889), wk = 0.0024631 k( 17) = ( 0.1311475 -0.0757181 0.1070815), wk = 0.0024631 k( 18) = ( 0.1393443 -0.0804504 0.1137741), wk = 0.0024631 k( 19) = ( 0.1475410 -0.0851828 0.1204667), wk = 0.0024631 k( 20) = ( 0.1557377 -0.0899152 0.1271593), wk = 0.0024631 k( 21) = ( 0.1639344 -0.0946476 0.1338519), wk = 0.0024631 k( 22) = ( 0.1721312 -0.0993800 0.1405445), wk = 0.0024631 k( 23) = ( 0.1803279 -0.1041123 0.1472371), wk = 0.0024631 k( 24) = ( 0.1885246 -0.1088447 0.1539297), wk = 0.0024631 k( 25) = ( 0.1967213 -0.1135771 0.1606223), wk = 0.0024631 k( 26) = ( 0.2049180 -0.1183095 0.1673149), wk = 0.0024631 k( 27) = ( 0.2131147 -0.1230419 0.1740075), wk = 0.0024631 k( 28) = ( 0.2213115 -0.1277742 0.1807001), wk = 0.0024631 k( 29) = ( 0.2295082 -0.1325066 0.1873927), wk = 0.0024631 k( 30) = ( 0.2377049 -0.1372390 0.1940853), wk = 0.0024631 k( 31) = ( 0.2459016 -0.1419714 0.2007778), wk = 0.0024631 k( 32) = ( 0.2540984 -0.1467038 0.2074704), wk = 0.0024631 k( 33) = ( 0.2622951 -0.1514361 0.2141630), wk = 0.0024631 k( 34) = ( 0.2704918 -0.1561685 0.2208556), wk = 0.0024631 k( 35) = ( 0.2786885 -0.1609009 0.2275482), wk = 0.0024631 k( 36) = ( 0.2868852 -0.1656333 0.2342408), wk = 0.0024631 k( 37) = ( 0.2950820 -0.1703657 0.2409334), wk = 0.0024631 k( 38) = ( 0.3032787 -0.1750980 0.2476260), wk = 0.0024631 k( 39) = ( 0.3114754 -0.1798304 0.2543186), wk = 0.0024631 k( 40) = ( 0.3196721 -0.1845628 0.2610112), wk = 0.0024631 k( 41) = ( 0.3278688 -0.1892952 0.2677038), wk = 0.0024631 k( 42) = ( 0.3360656 -0.1940275 0.2743964), wk = 0.0024631 k( 43) = ( 0.3442623 -0.1987599 0.2810890), wk = 0.0024631 k( 44) = ( 0.3524590 -0.2034923 0.2877816), wk = 0.0024631 k( 45) = ( 0.3606557 -0.2082247 0.2944742), wk = 0.0024631 k( 46) = ( 0.3688525 -0.2129571 0.3011668), wk = 0.0024631 k( 47) = ( 0.3770492 -0.2176894 0.3078594), wk = 0.0024631 k( 48) = ( 0.3852459 -0.2224218 0.3145520), wk = 0.0024631 k( 49) = ( 0.3934426 -0.2271542 0.3212446), wk = 0.0024631 k( 50) = ( 0.4016393 -0.2318866 0.3279371), wk = 0.0024631 k( 51) = ( 0.4098361 -0.2366190 0.3346297), wk = 0.0024631 k( 52) = ( 0.4180328 -0.2413513 0.3413223), wk = 0.0024631 k( 53) = ( 0.4262295 -0.2460837 0.3480149), wk = 0.0024631 k( 54) = ( 0.4344262 -0.2508161 0.3547075), wk = 0.0024631 k( 55) = ( 0.4426230 -0.2555485 0.3614001), wk = 0.0024631 k( 56) = ( 0.4508197 -0.2602809 0.3680927), wk = 0.0024631 k( 57) = ( 0.4590164 -0.2650132 0.3747853), wk = 0.0024631 k( 58) = ( 0.4672131 -0.2697456 0.3814779), wk = 0.0024631 k( 59) = ( 0.4754098 -0.2744780 0.3881705), wk = 0.0024631 k( 60) = ( 0.4836066 -0.2792104 0.3948631), wk = 0.0024631 k( 61) = ( 0.4918033 -0.2839428 0.4015557), wk = 0.0024631 k( 62) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0024631 k( 63) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0024631 k( 64) = ( 0.5000000 -0.2793630 0.4148329), wk = 0.0024631 k( 65) = ( 0.5000000 -0.2700509 0.4214176), wk = 0.0024631 k( 66) = ( 0.5000000 -0.2607388 0.4280022), wk = 0.0024631 k( 67) = ( 0.5000000 -0.2514267 0.4345869), wk = 0.0024631 k( 68) = ( 0.5000000 -0.2421146 0.4411715), wk = 0.0024631 k( 69) = ( 0.5000000 -0.2328025 0.4477562), wk = 0.0024631 k( 70) = ( 0.5000000 -0.2234904 0.4543408), wk = 0.0024631 k( 71) = ( 0.5000000 -0.2141783 0.4609255), wk = 0.0024631 k( 72) = ( 0.5000000 -0.2048662 0.4675101), wk = 0.0024631 k( 73) = ( 0.5000000 -0.1955541 0.4740948), wk = 0.0024631 k( 74) = ( 0.5000000 -0.1862420 0.4806794), wk = 0.0024631 k( 75) = ( 0.5000000 -0.1769299 0.4872641), wk = 0.0024631 k( 76) = ( 0.5000000 -0.1676178 0.4938487), wk = 0.0024631 k( 77) = ( 0.5000000 -0.1583057 0.5004334), wk = 0.0024631 k( 78) = ( 0.5000000 -0.1489936 0.5070180), wk = 0.0024631 k( 79) = ( 0.5000000 -0.1396815 0.5136027), wk = 0.0024631 k( 80) = ( 0.5000000 -0.1303694 0.5201873), wk = 0.0024631 k( 81) = ( 0.5000000 -0.1210573 0.5267720), wk = 0.0024631 k( 82) = ( 0.5000000 -0.1117452 0.5333566), wk = 0.0024631 k( 83) = ( 0.5000000 -0.1024331 0.5399413), wk = 0.0024631 k( 84) = ( 0.5000000 -0.0931210 0.5465259), wk = 0.0024631 k( 85) = ( 0.5000000 -0.0838089 0.5531106), wk = 0.0024631 k( 86) = ( 0.5000000 -0.0744968 0.5596952), wk = 0.0024631 k( 87) = ( 0.5000000 -0.0651847 0.5662799), wk = 0.0024631 k( 88) = ( 0.5000000 -0.0558726 0.5728645), wk = 0.0024631 k( 89) = ( 0.5000000 -0.0465605 0.5794492), wk = 0.0024631 k( 90) = ( 0.5000000 -0.0372484 0.5860338), wk = 0.0024631 k( 91) = ( 0.5000000 -0.0279363 0.5926185), wk = 0.0024631 k( 92) = ( 0.5000000 -0.0186242 0.5992031), wk = 0.0024631 k( 93) = ( 0.5000000 -0.0093121 0.6057878), wk = 0.0024631 k( 94) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0024631 k( 95) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0024631 k( 96) = ( 0.4943182 0.0098412 0.6123724), wk = 0.0024631 k( 97) = ( 0.4886364 0.0196824 0.6123724), wk = 0.0024631 k( 98) = ( 0.4829545 0.0295236 0.6123724), wk = 0.0024631 k( 99) = ( 0.4772727 0.0393648 0.6123724), wk = 0.0024631 k( 100) = ( 0.4715909 0.0492060 0.6123724), wk = 0.0024631 k( 101) = ( 0.4659091 0.0590472 0.6123724), wk = 0.0024631 k( 102) = ( 0.4602273 0.0688884 0.6123724), wk = 0.0024631 k( 103) = ( 0.4545455 0.0787296 0.6123724), wk = 0.0024631 k( 104) = ( 0.4488636 0.0885708 0.6123724), wk = 0.0024631 k( 105) = ( 0.4431818 0.0984120 0.6123724), wk = 0.0024631 k( 106) = ( 0.4375000 0.1082532 0.6123724), wk = 0.0024631 k( 107) = ( 0.4318182 0.1180944 0.6123724), wk = 0.0024631 k( 108) = ( 0.4261364 0.1279356 0.6123724), wk = 0.0024631 k( 109) = ( 0.4204545 0.1377768 0.6123724), wk = 0.0024631 k( 110) = ( 0.4147727 0.1476180 0.6123724), wk = 0.0024631 k( 111) = ( 0.4090909 0.1574592 0.6123724), wk = 0.0024631 k( 112) = ( 0.4034091 0.1673004 0.6123724), wk = 0.0024631 k( 113) = ( 0.3977273 0.1771416 0.6123724), wk = 0.0024631 k( 114) = ( 0.3920455 0.1869828 0.6123724), wk = 0.0024631 k( 115) = ( 0.3863636 0.1968239 0.6123724), wk = 0.0024631 k( 116) = ( 0.3806818 0.2066652 0.6123724), wk = 0.0024631 k( 117) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0024631 k( 118) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0024631 k( 119) = ( 0.3692308 0.2131755 0.6029513), wk = 0.0024631 k( 120) = ( 0.3634615 0.2098446 0.5935302), wk = 0.0024631 k( 121) = ( 0.3576923 0.2065138 0.5841091), wk = 0.0024631 k( 122) = ( 0.3519231 0.2031829 0.5746880), wk = 0.0024631 k( 123) = ( 0.3461538 0.1998520 0.5652669), wk = 0.0024631 k( 124) = ( 0.3403846 0.1965212 0.5558457), wk = 0.0024631 k( 125) = ( 0.3346154 0.1931903 0.5464246), wk = 0.0024631 k( 126) = ( 0.3288462 0.1898594 0.5370035), wk = 0.0024631 k( 127) = ( 0.3230769 0.1865285 0.5275824), wk = 0.0024631 k( 128) = ( 0.3173077 0.1831977 0.5181613), wk = 0.0024631 k( 129) = ( 0.3115385 0.1798668 0.5087402), wk = 0.0024631 k( 130) = ( 0.3057692 0.1765359 0.4993191), wk = 0.0024631 k( 131) = ( 0.3000000 0.1732051 0.4898979), wk = 0.0024631 k( 132) = ( 0.2942308 0.1698742 0.4804768), wk = 0.0024631 k( 133) = ( 0.2884615 0.1665433 0.4710557), wk = 0.0024631 k( 134) = ( 0.2826923 0.1632125 0.4616346), wk = 0.0024631 k( 135) = ( 0.2769231 0.1598816 0.4522135), wk = 0.0024631 k( 136) = ( 0.2711538 0.1565507 0.4427924), wk = 0.0024631 k( 137) = ( 0.2653846 0.1532199 0.4333713), wk = 0.0024631 k( 138) = ( 0.2596154 0.1498890 0.4239502), wk = 0.0024631 k( 139) = ( 0.2538461 0.1465581 0.4145290), wk = 0.0024631 k( 140) = ( 0.2480769 0.1432273 0.4051079), wk = 0.0024631 k( 141) = ( 0.2423077 0.1398964 0.3956868), wk = 0.0024631 k( 142) = ( 0.2365385 0.1365655 0.3862657), wk = 0.0024631 k( 143) = ( 0.2307692 0.1332347 0.3768446), wk = 0.0024631 k( 144) = ( 0.2250000 0.1299038 0.3674235), wk = 0.0024631 k( 145) = ( 0.2192308 0.1265729 0.3580023), wk = 0.0024631 k( 146) = ( 0.2134615 0.1232421 0.3485812), wk = 0.0024631 k( 147) = ( 0.2076923 0.1199112 0.3391601), wk = 0.0024631 k( 148) = ( 0.2019231 0.1165803 0.3297390), wk = 0.0024631 k( 149) = ( 0.1961538 0.1132495 0.3203179), wk = 0.0024631 k( 150) = ( 0.1903846 0.1099186 0.3108968), wk = 0.0024631 k( 151) = ( 0.1846154 0.1065877 0.3014757), wk = 0.0024631 k( 152) = ( 0.1788462 0.1032569 0.2920546), wk = 0.0024631 k( 153) = ( 0.1730769 0.0999260 0.2826334), wk = 0.0024631 k( 154) = ( 0.1673077 0.0965951 0.2732123), wk = 0.0024631 k( 155) = ( 0.1615385 0.0932643 0.2637912), wk = 0.0024631 k( 156) = ( 0.1557692 0.0899334 0.2543701), wk = 0.0024631 k( 157) = ( 0.1500000 0.0866025 0.2449490), wk = 0.0024631 k( 158) = ( 0.1442308 0.0832717 0.2355279), wk = 0.0024631 k( 159) = ( 0.1384615 0.0799408 0.2261067), wk = 0.0024631 k( 160) = ( 0.1326923 0.0766099 0.2166856), wk = 0.0024631 k( 161) = ( 0.1269231 0.0732791 0.2072645), wk = 0.0024631 k( 162) = ( 0.1211538 0.0699482 0.1978434), wk = 0.0024631 k( 163) = ( 0.1153846 0.0666173 0.1884223), wk = 0.0024631 k( 164) = ( 0.1096154 0.0632865 0.1790012), wk = 0.0024631 k( 165) = ( 0.1038461 0.0599556 0.1695801), wk = 0.0024631 k( 166) = ( 0.0980769 0.0566247 0.1601590), wk = 0.0024631 k( 167) = ( 0.0923077 0.0532939 0.1507378), wk = 0.0024631 k( 168) = ( 0.0865385 0.0499630 0.1413167), wk = 0.0024631 k( 169) = ( 0.0807692 0.0466321 0.1318956), wk = 0.0024631 k( 170) = ( 0.0750000 0.0433013 0.1224745), wk = 0.0024631 k( 171) = ( 0.0692308 0.0399704 0.1130534), wk = 0.0024631 k( 172) = ( 0.0634615 0.0366395 0.1036323), wk = 0.0024631 k( 173) = ( 0.0576923 0.0333087 0.0942111), wk = 0.0024631 k( 174) = ( 0.0519231 0.0299778 0.0847900), wk = 0.0024631 k( 175) = ( 0.0461539 0.0266469 0.0753689), wk = 0.0024631 k( 176) = ( 0.0403846 0.0233161 0.0659478), wk = 0.0024631 k( 177) = ( 0.0346154 0.0199852 0.0565267), wk = 0.0024631 k( 178) = ( 0.0288462 0.0166543 0.0471056), wk = 0.0024631 k( 179) = ( 0.0230769 0.0133235 0.0376845), wk = 0.0024631 k( 180) = ( 0.0173077 0.0099926 0.0282633), wk = 0.0024631 k( 181) = ( 0.0115385 0.0066617 0.0188422), wk = 0.0024631 k( 182) = ( 0.0057692 0.0033309 0.0094211), wk = 0.0024631 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 185) = ( 0.0094340 0.0054467 0.0038514), wk = 0.0024631 k( 186) = ( 0.0188679 0.0108934 0.0077028), wk = 0.0024631 k( 187) = ( 0.0283019 0.0163401 0.0115542), wk = 0.0024631 k( 188) = ( 0.0377359 0.0217868 0.0154056), wk = 0.0024631 k( 189) = ( 0.0471698 0.0272335 0.0192570), wk = 0.0024631 k( 190) = ( 0.0566038 0.0326802 0.0231084), wk = 0.0024631 k( 191) = ( 0.0660377 0.0381269 0.0269598), wk = 0.0024631 k( 192) = ( 0.0754717 0.0435736 0.0308112), wk = 0.0024631 k( 193) = ( 0.0849057 0.0490203 0.0346626), wk = 0.0024631 k( 194) = ( 0.0943396 0.0544670 0.0385140), wk = 0.0024631 k( 195) = ( 0.1037736 0.0599137 0.0423654), wk = 0.0024631 k( 196) = ( 0.1132076 0.0653604 0.0462168), wk = 0.0024631 k( 197) = ( 0.1226415 0.0708071 0.0500682), wk = 0.0024631 k( 198) = ( 0.1320755 0.0762538 0.0539196), wk = 0.0024631 k( 199) = ( 0.1415094 0.0817005 0.0577710), wk = 0.0024631 k( 200) = ( 0.1509434 0.0871472 0.0616224), wk = 0.0024631 k( 201) = ( 0.1603774 0.0925939 0.0654738), wk = 0.0024631 k( 202) = ( 0.1698113 0.0980406 0.0693252), wk = 0.0024631 k( 203) = ( 0.1792453 0.1034873 0.0731766), wk = 0.0024631 k( 204) = ( 0.1886792 0.1089340 0.0770280), wk = 0.0024631 k( 205) = ( 0.1981132 0.1143807 0.0808794), wk = 0.0024631 k( 206) = ( 0.2075472 0.1198274 0.0847308), wk = 0.0024631 k( 207) = ( 0.2169811 0.1252741 0.0885822), wk = 0.0024631 k( 208) = ( 0.2264151 0.1307208 0.0924336), wk = 0.0024631 k( 209) = ( 0.2358491 0.1361675 0.0962850), wk = 0.0024631 k( 210) = ( 0.2452830 0.1416142 0.1001364), wk = 0.0024631 k( 211) = ( 0.2547170 0.1470609 0.1039878), wk = 0.0024631 k( 212) = ( 0.2641509 0.1525076 0.1078392), wk = 0.0024631 k( 213) = ( 0.2735849 0.1579543 0.1116906), wk = 0.0024631 k( 214) = ( 0.2830189 0.1634010 0.1155420), wk = 0.0024631 k( 215) = ( 0.2924528 0.1688477 0.1193934), wk = 0.0024631 k( 216) = ( 0.3018868 0.1742944 0.1232448), wk = 0.0024631 k( 217) = ( 0.3113207 0.1797411 0.1270962), wk = 0.0024631 k( 218) = ( 0.3207547 0.1851878 0.1309476), wk = 0.0024631 k( 219) = ( 0.3301887 0.1906345 0.1347990), wk = 0.0024631 k( 220) = ( 0.3396226 0.1960812 0.1386504), wk = 0.0024631 k( 221) = ( 0.3490566 0.2015279 0.1425018), wk = 0.0024631 k( 222) = ( 0.3584906 0.2069746 0.1463532), wk = 0.0024631 k( 223) = ( 0.3679245 0.2124213 0.1502046), wk = 0.0024631 k( 224) = ( 0.3773585 0.2178680 0.1540560), wk = 0.0024631 k( 225) = ( 0.3867925 0.2233147 0.1579074), wk = 0.0024631 k( 226) = ( 0.3962264 0.2287614 0.1617588), wk = 0.0024631 k( 227) = ( 0.4056604 0.2342081 0.1656102), wk = 0.0024631 k( 228) = ( 0.4150943 0.2396548 0.1694616), wk = 0.0024631 k( 229) = ( 0.4245283 0.2451015 0.1733130), wk = 0.0024631 k( 230) = ( 0.4339623 0.2505482 0.1771644), wk = 0.0024631 k( 231) = ( 0.4433962 0.2559949 0.1810158), wk = 0.0024631 k( 232) = ( 0.4528302 0.2614416 0.1848672), wk = 0.0024631 k( 233) = ( 0.4622641 0.2668883 0.1887185), wk = 0.0024631 k( 234) = ( 0.4716981 0.2723350 0.1925699), wk = 0.0024631 k( 235) = ( 0.4811321 0.2777817 0.1964213), wk = 0.0024631 k( 236) = ( 0.4905660 0.2832284 0.2002727), wk = 0.0024631 k( 237) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024631 k( 238) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024631 k( 239) = ( 0.5032895 0.2791792 0.2094958), wk = 0.0024631 k( 240) = ( 0.5065789 0.2696834 0.2148675), wk = 0.0024631 k( 241) = ( 0.5098684 0.2601875 0.2202392), wk = 0.0024631 k( 242) = ( 0.5131579 0.2506916 0.2256109), wk = 0.0024631 k( 243) = ( 0.5164474 0.2411957 0.2309826), wk = 0.0024631 k( 244) = ( 0.5197368 0.2316998 0.2363543), wk = 0.0024631 k( 245) = ( 0.5230263 0.2222039 0.2417260), wk = 0.0024631 k( 246) = ( 0.5263158 0.2127080 0.2470977), wk = 0.0024631 k( 247) = ( 0.5296053 0.2032121 0.2524693), wk = 0.0024631 k( 248) = ( 0.5328947 0.1937162 0.2578410), wk = 0.0024631 k( 249) = ( 0.5361842 0.1842203 0.2632127), wk = 0.0024631 k( 250) = ( 0.5394737 0.1747244 0.2685844), wk = 0.0024631 k( 251) = ( 0.5427632 0.1652285 0.2739561), wk = 0.0024631 k( 252) = ( 0.5460526 0.1557326 0.2793278), wk = 0.0024631 k( 253) = ( 0.5493421 0.1462367 0.2846995), wk = 0.0024631 k( 254) = ( 0.5526316 0.1367409 0.2900712), wk = 0.0024631 k( 255) = ( 0.5559211 0.1272450 0.2954428), wk = 0.0024631 k( 256) = ( 0.5592105 0.1177491 0.3008145), wk = 0.0024631 k( 257) = ( 0.5625000 0.1082532 0.3061862), wk = 0.0024631 k( 258) = ( 0.5657895 0.0987573 0.3115579), wk = 0.0024631 k( 259) = ( 0.5690789 0.0892614 0.3169296), wk = 0.0024631 k( 260) = ( 0.5723684 0.0797655 0.3223013), wk = 0.0024631 k( 261) = ( 0.5756579 0.0702696 0.3276730), wk = 0.0024631 k( 262) = ( 0.5789474 0.0607737 0.3330447), wk = 0.0024631 k( 263) = ( 0.5822368 0.0512778 0.3384163), wk = 0.0024631 k( 264) = ( 0.5855263 0.0417819 0.3437880), wk = 0.0024631 k( 265) = ( 0.5888158 0.0322860 0.3491597), wk = 0.0024631 k( 266) = ( 0.5921053 0.0227901 0.3545314), wk = 0.0024631 k( 267) = ( 0.5953947 0.0132943 0.3599031), wk = 0.0024631 k( 268) = ( 0.5986842 0.0037984 0.3652748), wk = 0.0024631 k( 269) = ( 0.6019737 -0.0056975 0.3706465), wk = 0.0024631 k( 270) = ( 0.6052632 -0.0151934 0.3760182), wk = 0.0024631 k( 271) = ( 0.6085526 -0.0246893 0.3813898), wk = 0.0024631 k( 272) = ( 0.6118421 -0.0341852 0.3867615), wk = 0.0024631 k( 273) = ( 0.6151316 -0.0436811 0.3921332), wk = 0.0024631 k( 274) = ( 0.6184211 -0.0531770 0.3975049), wk = 0.0024631 k( 275) = ( 0.6217105 -0.0626729 0.4028766), wk = 0.0024631 k( 276) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0024631 k( 277) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0024631 k( 278) = ( 0.6193182 -0.0688884 0.4175267), wk = 0.0024631 k( 279) = ( 0.6136364 -0.0656080 0.4268050), wk = 0.0024631 k( 280) = ( 0.6079545 -0.0623276 0.4360834), wk = 0.0024631 k( 281) = ( 0.6022727 -0.0590472 0.4453618), wk = 0.0024631 k( 282) = ( 0.5965909 -0.0557668 0.4546401), wk = 0.0024631 k( 283) = ( 0.5909091 -0.0524864 0.4639185), wk = 0.0024631 k( 284) = ( 0.5852273 -0.0492060 0.4731969), wk = 0.0024631 k( 285) = ( 0.5795455 -0.0459256 0.4824753), wk = 0.0024631 k( 286) = ( 0.5738636 -0.0426452 0.4917536), wk = 0.0024631 k( 287) = ( 0.5681818 -0.0393648 0.5010320), wk = 0.0024631 k( 288) = ( 0.5625000 -0.0360844 0.5103104), wk = 0.0024631 k( 289) = ( 0.5568182 -0.0328040 0.5195887), wk = 0.0024631 k( 290) = ( 0.5511364 -0.0295236 0.5288671), wk = 0.0024631 k( 291) = ( 0.5454545 -0.0262432 0.5381455), wk = 0.0024631 k( 292) = ( 0.5397727 -0.0229628 0.5474238), wk = 0.0024631 k( 293) = ( 0.5340909 -0.0196824 0.5567022), wk = 0.0024631 k( 294) = ( 0.5284091 -0.0164020 0.5659806), wk = 0.0024631 k( 295) = ( 0.5227273 -0.0131216 0.5752590), wk = 0.0024631 k( 296) = ( 0.5170455 -0.0098412 0.5845373), wk = 0.0024631 k( 297) = ( 0.5113636 -0.0065608 0.5938157), wk = 0.0024631 k( 298) = ( 0.5056818 -0.0032804 0.6030941), wk = 0.0024631 k( 299) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0024631 k( 300) = ( 0.5000000 -0.0000000 0.6123724), wk = 0.0024631 k( 301) = ( 0.5000000 0.0065608 0.6030941), wk = 0.0024631 k( 302) = ( 0.5000000 0.0131216 0.5938157), wk = 0.0024631 k( 303) = ( 0.5000000 0.0196824 0.5845373), wk = 0.0024631 k( 304) = ( 0.5000000 0.0262432 0.5752590), wk = 0.0024631 k( 305) = ( 0.5000000 0.0328040 0.5659806), wk = 0.0024631 k( 306) = ( 0.5000000 0.0393648 0.5567022), wk = 0.0024631 k( 307) = ( 0.5000000 0.0459256 0.5474238), wk = 0.0024631 k( 308) = ( 0.5000000 0.0524864 0.5381455), wk = 0.0024631 k( 309) = ( 0.5000000 0.0590472 0.5288671), wk = 0.0024631 k( 310) = ( 0.5000000 0.0656080 0.5195887), wk = 0.0024631 k( 311) = ( 0.5000000 0.0721688 0.5103104), wk = 0.0024631 k( 312) = ( 0.5000000 0.0787296 0.5010320), wk = 0.0024631 k( 313) = ( 0.5000000 0.0852904 0.4917536), wk = 0.0024631 k( 314) = ( 0.5000000 0.0918512 0.4824753), wk = 0.0024631 k( 315) = ( 0.5000000 0.0984120 0.4731969), wk = 0.0024631 k( 316) = ( 0.5000000 0.1049728 0.4639185), wk = 0.0024631 k( 317) = ( 0.5000000 0.1115336 0.4546401), wk = 0.0024631 k( 318) = ( 0.5000000 0.1180944 0.4453618), wk = 0.0024631 k( 319) = ( 0.5000000 0.1246552 0.4360834), wk = 0.0024631 k( 320) = ( 0.5000000 0.1312160 0.4268050), wk = 0.0024631 k( 321) = ( 0.5000000 0.1377768 0.4175267), wk = 0.0024631 k( 322) = ( 0.5000000 0.1443376 0.4082483), wk = 0.0024631 k( 323) = ( 0.5000000 0.1508984 0.3989699), wk = 0.0024631 k( 324) = ( 0.5000000 0.1574592 0.3896915), wk = 0.0024631 k( 325) = ( 0.5000000 0.1640200 0.3804132), wk = 0.0024631 k( 326) = ( 0.5000000 0.1705808 0.3711348), wk = 0.0024631 k( 327) = ( 0.5000000 0.1771416 0.3618564), wk = 0.0024631 k( 328) = ( 0.5000000 0.1837024 0.3525781), wk = 0.0024631 k( 329) = ( 0.5000000 0.1902632 0.3432997), wk = 0.0024631 k( 330) = ( 0.5000000 0.1968240 0.3340213), wk = 0.0024631 k( 331) = ( 0.5000000 0.2033847 0.3247430), wk = 0.0024631 k( 332) = ( 0.5000000 0.2099456 0.3154646), wk = 0.0024631 k( 333) = ( 0.5000000 0.2165064 0.3061862), wk = 0.0024631 k( 334) = ( 0.5000000 0.2230672 0.2969078), wk = 0.0024631 k( 335) = ( 0.5000000 0.2296280 0.2876295), wk = 0.0024631 k( 336) = ( 0.5000000 0.2361887 0.2783511), wk = 0.0024631 k( 337) = ( 0.5000000 0.2427495 0.2690727), wk = 0.0024631 k( 338) = ( 0.5000000 0.2493103 0.2597944), wk = 0.0024631 k( 339) = ( 0.5000000 0.2558711 0.2505160), wk = 0.0024631 k( 340) = ( 0.5000000 0.2624319 0.2412376), wk = 0.0024631 k( 341) = ( 0.5000000 0.2689927 0.2319592), wk = 0.0024631 k( 342) = ( 0.5000000 0.2755535 0.2226809), wk = 0.0024631 k( 343) = ( 0.5000000 0.2821143 0.2134025), wk = 0.0024631 k( 344) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024631 k( 345) = ( 0.5000000 0.2886751 0.2041241), wk = 0.0024631 k( 346) = ( 0.4967105 0.2867760 0.2148675), wk = 0.0024631 k( 347) = ( 0.4934211 0.2848768 0.2256109), wk = 0.0024631 k( 348) = ( 0.4901316 0.2829776 0.2363543), wk = 0.0024631 k( 349) = ( 0.4868421 0.2810784 0.2470976), wk = 0.0024631 k( 350) = ( 0.4835526 0.2791792 0.2578410), wk = 0.0024631 k( 351) = ( 0.4802632 0.2772801 0.2685844), wk = 0.0024631 k( 352) = ( 0.4769737 0.2753809 0.2793278), wk = 0.0024631 k( 353) = ( 0.4736842 0.2734817 0.2900712), wk = 0.0024631 k( 354) = ( 0.4703947 0.2715825 0.3008145), wk = 0.0024631 k( 355) = ( 0.4671053 0.2696833 0.3115579), wk = 0.0024631 k( 356) = ( 0.4638158 0.2677842 0.3223013), wk = 0.0024631 k( 357) = ( 0.4605263 0.2658850 0.3330447), wk = 0.0024631 k( 358) = ( 0.4572368 0.2639858 0.3437880), wk = 0.0024631 k( 359) = ( 0.4539474 0.2620866 0.3545314), wk = 0.0024631 k( 360) = ( 0.4506579 0.2601875 0.3652748), wk = 0.0024631 k( 361) = ( 0.4473684 0.2582883 0.3760182), wk = 0.0024631 k( 362) = ( 0.4440789 0.2563891 0.3867615), wk = 0.0024631 k( 363) = ( 0.4407895 0.2544899 0.3975049), wk = 0.0024631 k( 364) = ( 0.4375000 0.2525907 0.4082483), wk = 0.0024631 k( 365) = ( 0.4342105 0.2506916 0.4189917), wk = 0.0024631 k( 366) = ( 0.4309211 0.2487924 0.4297350), wk = 0.0024631 k( 367) = ( 0.4276316 0.2468932 0.4404784), wk = 0.0024631 k( 368) = ( 0.4243421 0.2449940 0.4512218), wk = 0.0024631 k( 369) = ( 0.4210526 0.2430948 0.4619652), wk = 0.0024631 k( 370) = ( 0.4177632 0.2411957 0.4727085), wk = 0.0024631 k( 371) = ( 0.4144737 0.2392965 0.4834519), wk = 0.0024631 k( 372) = ( 0.4111842 0.2373973 0.4941953), wk = 0.0024631 k( 373) = ( 0.4078947 0.2354981 0.5049387), wk = 0.0024631 k( 374) = ( 0.4046053 0.2335990 0.5156820), wk = 0.0024631 k( 375) = ( 0.4013158 0.2316998 0.5264254), wk = 0.0024631 k( 376) = ( 0.3980263 0.2298006 0.5371688), wk = 0.0024631 k( 377) = ( 0.3947368 0.2279014 0.5479122), wk = 0.0024631 k( 378) = ( 0.3914474 0.2260022 0.5586556), wk = 0.0024631 k( 379) = ( 0.3881579 0.2241031 0.5693989), wk = 0.0024631 k( 380) = ( 0.3848684 0.2222039 0.5801423), wk = 0.0024631 k( 381) = ( 0.3815789 0.2203047 0.5908857), wk = 0.0024631 k( 382) = ( 0.3782895 0.2184055 0.6016291), wk = 0.0024631 k( 383) = ( 0.3750000 0.2165064 0.6123724), wk = 0.0024631 k( 384) = ( 0.6250000 -0.0721688 0.4082483), wk = 0.0024631 k( 385) = ( 0.6193182 -0.0820100 0.4082483), wk = 0.0024631 k( 386) = ( 0.6136364 -0.0918512 0.4082483), wk = 0.0024631 k( 387) = ( 0.6079545 -0.1016924 0.4082483), wk = 0.0024631 k( 388) = ( 0.6022727 -0.1115336 0.4082483), wk = 0.0024631 k( 389) = ( 0.5965909 -0.1213748 0.4082483), wk = 0.0024631 k( 390) = ( 0.5909091 -0.1312160 0.4082483), wk = 0.0024631 k( 391) = ( 0.5852273 -0.1410572 0.4082483), wk = 0.0024631 k( 392) = ( 0.5795455 -0.1508984 0.4082483), wk = 0.0024631 k( 393) = ( 0.5738636 -0.1607396 0.4082483), wk = 0.0024631 k( 394) = ( 0.5681818 -0.1705808 0.4082483), wk = 0.0024631 k( 395) = ( 0.5625000 -0.1804220 0.4082483), wk = 0.0024631 k( 396) = ( 0.5568182 -0.1902632 0.4082483), wk = 0.0024631 k( 397) = ( 0.5511364 -0.2001043 0.4082483), wk = 0.0024631 k( 398) = ( 0.5454545 -0.2099456 0.4082483), wk = 0.0024631 k( 399) = ( 0.5397727 -0.2197868 0.4082483), wk = 0.0024631 k( 400) = ( 0.5340909 -0.2296279 0.4082483), wk = 0.0024631 k( 401) = ( 0.5284091 -0.2394691 0.4082483), wk = 0.0024631 k( 402) = ( 0.5227273 -0.2493103 0.4082483), wk = 0.0024631 k( 403) = ( 0.5170455 -0.2591515 0.4082483), wk = 0.0024631 k( 404) = ( 0.5113636 -0.2689927 0.4082483), wk = 0.0024631 k( 405) = ( 0.5056818 -0.2788339 0.4082483), wk = 0.0024631 k( 406) = ( 0.5000000 -0.2886751 0.4082483), wk = 0.0024631 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 2) = ( 0.0081967 -0.0000000 0.0081967), wk = 0.0024631 k( 3) = ( 0.0163934 -0.0000000 0.0163934), wk = 0.0024631 k( 4) = ( 0.0245902 -0.0000000 0.0245902), wk = 0.0024631 k( 5) = ( 0.0327869 0.0000000 0.0327869), wk = 0.0024631 k( 6) = ( 0.0409836 -0.0000000 0.0409836), wk = 0.0024631 k( 7) = ( 0.0491803 -0.0000000 0.0491803), wk = 0.0024631 k( 8) = ( 0.0573770 -0.0000000 0.0573771), wk = 0.0024631 k( 9) = ( 0.0655738 -0.0000000 0.0655738), wk = 0.0024631 k( 10) = ( 0.0737705 0.0000000 0.0737705), wk = 0.0024631 k( 11) = ( 0.0819672 -0.0000000 0.0819672), wk = 0.0024631 k( 12) = ( 0.0901639 -0.0000000 0.0901639), wk = 0.0024631 k( 13) = ( 0.0983607 -0.0000000 0.0983607), wk = 0.0024631 k( 14) = ( 0.1065574 -0.0000000 0.1065574), wk = 0.0024631 k( 15) = ( 0.1147541 -0.0000000 0.1147541), wk = 0.0024631 k( 16) = ( 0.1229508 -0.0000000 0.1229508), wk = 0.0024631 k( 17) = ( 0.1311475 -0.0000000 0.1311475), wk = 0.0024631 k( 18) = ( 0.1393443 0.0000000 0.1393443), wk = 0.0024631 k( 19) = ( 0.1475410 0.0000000 0.1475410), wk = 0.0024631 k( 20) = ( 0.1557377 -0.0000000 0.1557377), wk = 0.0024631 k( 21) = ( 0.1639344 -0.0000000 0.1639344), wk = 0.0024631 k( 22) = ( 0.1721312 0.0000000 0.1721312), wk = 0.0024631 k( 23) = ( 0.1803279 -0.0000000 0.1803279), wk = 0.0024631 k( 24) = ( 0.1885246 -0.0000000 0.1885246), wk = 0.0024631 k( 25) = ( 0.1967213 -0.0000000 0.1967213), wk = 0.0024631 k( 26) = ( 0.2049180 -0.0000000 0.2049180), wk = 0.0024631 k( 27) = ( 0.2131147 -0.0000000 0.2131148), wk = 0.0024631 k( 28) = ( 0.2213115 -0.0000000 0.2213115), wk = 0.0024631 k( 29) = ( 0.2295082 -0.0000000 0.2295082), wk = 0.0024631 k( 30) = ( 0.2377049 -0.0000000 0.2377049), wk = 0.0024631 k( 31) = ( 0.2459016 -0.0000000 0.2459016), wk = 0.0024631 k( 32) = ( 0.2540984 0.0000000 0.2540984), wk = 0.0024631 k( 33) = ( 0.2622951 -0.0000000 0.2622951), wk = 0.0024631 k( 34) = ( 0.2704918 0.0000000 0.2704918), wk = 0.0024631 k( 35) = ( 0.2786885 0.0000000 0.2786885), wk = 0.0024631 k( 36) = ( 0.2868852 0.0000000 0.2868852), wk = 0.0024631 k( 37) = ( 0.2950820 -0.0000000 0.2950820), wk = 0.0024631 k( 38) = ( 0.3032787 0.0000000 0.3032787), wk = 0.0024631 k( 39) = ( 0.3114754 0.0000000 0.3114754), wk = 0.0024631 k( 40) = ( 0.3196721 -0.0000000 0.3196721), wk = 0.0024631 k( 41) = ( 0.3278688 0.0000000 0.3278689), wk = 0.0024631 k( 42) = ( 0.3360656 -0.0000000 0.3360656), wk = 0.0024631 k( 43) = ( 0.3442623 0.0000000 0.3442623), wk = 0.0024631 k( 44) = ( 0.3524590 -0.0000000 0.3524590), wk = 0.0024631 k( 45) = ( 0.3606557 -0.0000000 0.3606557), wk = 0.0024631 k( 46) = ( 0.3688525 -0.0000000 0.3688525), wk = 0.0024631 k( 47) = ( 0.3770492 -0.0000000 0.3770492), wk = 0.0024631 k( 48) = ( 0.3852459 -0.0000000 0.3852459), wk = 0.0024631 k( 49) = ( 0.3934426 -0.0000000 0.3934426), wk = 0.0024631 k( 50) = ( 0.4016393 -0.0000000 0.4016393), wk = 0.0024631 k( 51) = ( 0.4098361 -0.0000000 0.4098361), wk = 0.0024631 k( 52) = ( 0.4180328 -0.0000000 0.4180328), wk = 0.0024631 k( 53) = ( 0.4262295 -0.0000000 0.4262295), wk = 0.0024631 k( 54) = ( 0.4344262 -0.0000000 0.4344262), wk = 0.0024631 k( 55) = ( 0.4426230 -0.0000000 0.4426230), wk = 0.0024631 k( 56) = ( 0.4508197 -0.0000000 0.4508197), wk = 0.0024631 k( 57) = ( 0.4590164 -0.0000000 0.4590164), wk = 0.0024631 k( 58) = ( 0.4672131 -0.0000000 0.4672131), wk = 0.0024631 k( 59) = ( 0.4754098 -0.0000000 0.4754098), wk = 0.0024631 k( 60) = ( 0.4836066 -0.0000000 0.4836066), wk = 0.0024631 k( 61) = ( 0.4918033 -0.0000000 0.4918033), wk = 0.0024631 k( 62) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024631 k( 63) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024631 k( 64) = ( 0.5000000 0.0080645 0.5080645), wk = 0.0024631 k( 65) = ( 0.5000000 0.0161290 0.5161290), wk = 0.0024631 k( 66) = ( 0.5000000 0.0241935 0.5241936), wk = 0.0024631 k( 67) = ( 0.5000000 0.0322581 0.5322581), wk = 0.0024631 k( 68) = ( 0.5000000 0.0403226 0.5403226), wk = 0.0024631 k( 69) = ( 0.5000000 0.0483871 0.5483871), wk = 0.0024631 k( 70) = ( 0.5000000 0.0564516 0.5564516), wk = 0.0024631 k( 71) = ( 0.5000000 0.0645161 0.5645161), wk = 0.0024631 k( 72) = ( 0.5000000 0.0725806 0.5725807), wk = 0.0024631 k( 73) = ( 0.5000000 0.0806452 0.5806452), wk = 0.0024631 k( 74) = ( 0.5000000 0.0887097 0.5887097), wk = 0.0024631 k( 75) = ( 0.5000000 0.0967742 0.5967742), wk = 0.0024631 k( 76) = ( 0.5000000 0.1048387 0.6048387), wk = 0.0024631 k( 77) = ( 0.5000000 0.1129032 0.6129032), wk = 0.0024631 k( 78) = ( 0.5000000 0.1209677 0.6209677), wk = 0.0024631 k( 79) = ( 0.5000000 0.1290323 0.6290323), wk = 0.0024631 k( 80) = ( 0.5000000 0.1370968 0.6370968), wk = 0.0024631 k( 81) = ( 0.5000000 0.1451613 0.6451613), wk = 0.0024631 k( 82) = ( 0.5000000 0.1532258 0.6532258), wk = 0.0024631 k( 83) = ( 0.5000000 0.1612903 0.6612903), wk = 0.0024631 k( 84) = ( 0.5000000 0.1693548 0.6693548), wk = 0.0024631 k( 85) = ( 0.5000000 0.1774194 0.6774193), wk = 0.0024631 k( 86) = ( 0.5000000 0.1854839 0.6854839), wk = 0.0024631 k( 87) = ( 0.5000000 0.1935484 0.6935484), wk = 0.0024631 k( 88) = ( 0.5000000 0.2016129 0.7016129), wk = 0.0024631 k( 89) = ( 0.5000000 0.2096774 0.7096774), wk = 0.0024631 k( 90) = ( 0.5000000 0.2177419 0.7177419), wk = 0.0024631 k( 91) = ( 0.5000000 0.2258064 0.7258065), wk = 0.0024631 k( 92) = ( 0.5000000 0.2338710 0.7338710), wk = 0.0024631 k( 93) = ( 0.5000000 0.2419355 0.7419355), wk = 0.0024631 k( 94) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024631 k( 95) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024631 k( 96) = ( 0.4943182 0.2556818 0.7500000), wk = 0.0024631 k( 97) = ( 0.4886364 0.2613636 0.7500000), wk = 0.0024631 k( 98) = ( 0.4829545 0.2670455 0.7500000), wk = 0.0024631 k( 99) = ( 0.4772727 0.2727273 0.7500000), wk = 0.0024631 k( 100) = ( 0.4715909 0.2784091 0.7500000), wk = 0.0024631 k( 101) = ( 0.4659091 0.2840909 0.7500000), wk = 0.0024631 k( 102) = ( 0.4602273 0.2897727 0.7500000), wk = 0.0024631 k( 103) = ( 0.4545455 0.2954545 0.7500000), wk = 0.0024631 k( 104) = ( 0.4488636 0.3011364 0.7500000), wk = 0.0024631 k( 105) = ( 0.4431818 0.3068182 0.7500000), wk = 0.0024631 k( 106) = ( 0.4375000 0.3125000 0.7500000), wk = 0.0024631 k( 107) = ( 0.4318182 0.3181818 0.7500000), wk = 0.0024631 k( 108) = ( 0.4261364 0.3238636 0.7500000), wk = 0.0024631 k( 109) = ( 0.4204545 0.3295455 0.7500000), wk = 0.0024631 k( 110) = ( 0.4147727 0.3352273 0.7500000), wk = 0.0024631 k( 111) = ( 0.4090909 0.3409091 0.7500000), wk = 0.0024631 k( 112) = ( 0.4034091 0.3465909 0.7500000), wk = 0.0024631 k( 113) = ( 0.3977273 0.3522727 0.7500000), wk = 0.0024631 k( 114) = ( 0.3920455 0.3579545 0.7500000), wk = 0.0024631 k( 115) = ( 0.3863636 0.3636364 0.7500000), wk = 0.0024631 k( 116) = ( 0.3806818 0.3693182 0.7500000), wk = 0.0024631 k( 117) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0024631 k( 118) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0024631 k( 119) = ( 0.3692308 0.3692308 0.7384615), wk = 0.0024631 k( 120) = ( 0.3634615 0.3634615 0.7269231), wk = 0.0024631 k( 121) = ( 0.3576923 0.3576923 0.7153846), wk = 0.0024631 k( 122) = ( 0.3519231 0.3519231 0.7038462), wk = 0.0024631 k( 123) = ( 0.3461538 0.3461538 0.6923077), wk = 0.0024631 k( 124) = ( 0.3403846 0.3403846 0.6807692), wk = 0.0024631 k( 125) = ( 0.3346154 0.3346154 0.6692308), wk = 0.0024631 k( 126) = ( 0.3288462 0.3288462 0.6576923), wk = 0.0024631 k( 127) = ( 0.3230769 0.3230769 0.6461539), wk = 0.0024631 k( 128) = ( 0.3173077 0.3173077 0.6346154), wk = 0.0024631 k( 129) = ( 0.3115385 0.3115385 0.6230769), wk = 0.0024631 k( 130) = ( 0.3057692 0.3057692 0.6115385), wk = 0.0024631 k( 131) = ( 0.3000000 0.3000000 0.6000000), wk = 0.0024631 k( 132) = ( 0.2942308 0.2942308 0.5884615), wk = 0.0024631 k( 133) = ( 0.2884615 0.2884615 0.5769231), wk = 0.0024631 k( 134) = ( 0.2826923 0.2826923 0.5653846), wk = 0.0024631 k( 135) = ( 0.2769231 0.2769231 0.5538462), wk = 0.0024631 k( 136) = ( 0.2711538 0.2711538 0.5423077), wk = 0.0024631 k( 137) = ( 0.2653846 0.2653846 0.5307692), wk = 0.0024631 k( 138) = ( 0.2596154 0.2596154 0.5192308), wk = 0.0024631 k( 139) = ( 0.2538461 0.2538462 0.5076923), wk = 0.0024631 k( 140) = ( 0.2480769 0.2480769 0.4961539), wk = 0.0024631 k( 141) = ( 0.2423077 0.2423077 0.4846154), wk = 0.0024631 k( 142) = ( 0.2365385 0.2365385 0.4730769), wk = 0.0024631 k( 143) = ( 0.2307692 0.2307692 0.4615385), wk = 0.0024631 k( 144) = ( 0.2250000 0.2250000 0.4500000), wk = 0.0024631 k( 145) = ( 0.2192308 0.2192308 0.4384615), wk = 0.0024631 k( 146) = ( 0.2134615 0.2134615 0.4269231), wk = 0.0024631 k( 147) = ( 0.2076923 0.2076923 0.4153846), wk = 0.0024631 k( 148) = ( 0.2019231 0.2019231 0.4038462), wk = 0.0024631 k( 149) = ( 0.1961538 0.1961539 0.3923077), wk = 0.0024631 k( 150) = ( 0.1903846 0.1903846 0.3807692), wk = 0.0024631 k( 151) = ( 0.1846154 0.1846154 0.3692308), wk = 0.0024631 k( 152) = ( 0.1788462 0.1788462 0.3576923), wk = 0.0024631 k( 153) = ( 0.1730769 0.1730769 0.3461538), wk = 0.0024631 k( 154) = ( 0.1673077 0.1673077 0.3346154), wk = 0.0024631 k( 155) = ( 0.1615385 0.1615385 0.3230769), wk = 0.0024631 k( 156) = ( 0.1557692 0.1557692 0.3115385), wk = 0.0024631 k( 157) = ( 0.1500000 0.1500000 0.3000000), wk = 0.0024631 k( 158) = ( 0.1442308 0.1442308 0.2884615), wk = 0.0024631 k( 159) = ( 0.1384615 0.1384615 0.2769231), wk = 0.0024631 k( 160) = ( 0.1326923 0.1326923 0.2653846), wk = 0.0024631 k( 161) = ( 0.1269231 0.1269231 0.2538461), wk = 0.0024631 k( 162) = ( 0.1211538 0.1211539 0.2423077), wk = 0.0024631 k( 163) = ( 0.1153846 0.1153846 0.2307692), wk = 0.0024631 k( 164) = ( 0.1096154 0.1096154 0.2192308), wk = 0.0024631 k( 165) = ( 0.1038461 0.1038462 0.2076923), wk = 0.0024631 k( 166) = ( 0.0980769 0.0980769 0.1961538), wk = 0.0024631 k( 167) = ( 0.0923077 0.0923077 0.1846154), wk = 0.0024631 k( 168) = ( 0.0865385 0.0865385 0.1730769), wk = 0.0024631 k( 169) = ( 0.0807692 0.0807692 0.1615385), wk = 0.0024631 k( 170) = ( 0.0750000 0.0750000 0.1500000), wk = 0.0024631 k( 171) = ( 0.0692308 0.0692308 0.1384615), wk = 0.0024631 k( 172) = ( 0.0634615 0.0634615 0.1269231), wk = 0.0024631 k( 173) = ( 0.0576923 0.0576923 0.1153846), wk = 0.0024631 k( 174) = ( 0.0519231 0.0519231 0.1038462), wk = 0.0024631 k( 175) = ( 0.0461539 0.0461539 0.0923077), wk = 0.0024631 k( 176) = ( 0.0403846 0.0403846 0.0807692), wk = 0.0024631 k( 177) = ( 0.0346154 0.0346154 0.0692308), wk = 0.0024631 k( 178) = ( 0.0288462 0.0288462 0.0576923), wk = 0.0024631 k( 179) = ( 0.0230769 0.0230769 0.0461539), wk = 0.0024631 k( 180) = ( 0.0173077 0.0173077 0.0346154), wk = 0.0024631 k( 181) = ( 0.0115385 0.0115385 0.0230769), wk = 0.0024631 k( 182) = ( 0.0057692 0.0057692 0.0115385), wk = 0.0024631 k( 183) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 184) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 185) = ( 0.0094340 0.0094340 0.0094340), wk = 0.0024631 k( 186) = ( 0.0188679 0.0188679 0.0188679), wk = 0.0024631 k( 187) = ( 0.0283019 0.0283019 0.0283019), wk = 0.0024631 k( 188) = ( 0.0377359 0.0377359 0.0377359), wk = 0.0024631 k( 189) = ( 0.0471698 0.0471698 0.0471698), wk = 0.0024631 k( 190) = ( 0.0566038 0.0566038 0.0566038), wk = 0.0024631 k( 191) = ( 0.0660377 0.0660377 0.0660377), wk = 0.0024631 k( 192) = ( 0.0754717 0.0754717 0.0754717), wk = 0.0024631 k( 193) = ( 0.0849057 0.0849057 0.0849057), wk = 0.0024631 k( 194) = ( 0.0943396 0.0943396 0.0943396), wk = 0.0024631 k( 195) = ( 0.1037736 0.1037736 0.1037736), wk = 0.0024631 k( 196) = ( 0.1132076 0.1132076 0.1132076), wk = 0.0024631 k( 197) = ( 0.1226415 0.1226415 0.1226415), wk = 0.0024631 k( 198) = ( 0.1320755 0.1320755 0.1320755), wk = 0.0024631 k( 199) = ( 0.1415094 0.1415094 0.1415094), wk = 0.0024631 k( 200) = ( 0.1509434 0.1509434 0.1509434), wk = 0.0024631 k( 201) = ( 0.1603774 0.1603774 0.1603774), wk = 0.0024631 k( 202) = ( 0.1698113 0.1698113 0.1698113), wk = 0.0024631 k( 203) = ( 0.1792453 0.1792453 0.1792453), wk = 0.0024631 k( 204) = ( 0.1886792 0.1886792 0.1886793), wk = 0.0024631 k( 205) = ( 0.1981132 0.1981132 0.1981132), wk = 0.0024631 k( 206) = ( 0.2075472 0.2075472 0.2075472), wk = 0.0024631 k( 207) = ( 0.2169811 0.2169811 0.2169811), wk = 0.0024631 k( 208) = ( 0.2264151 0.2264151 0.2264151), wk = 0.0024631 k( 209) = ( 0.2358491 0.2358491 0.2358491), wk = 0.0024631 k( 210) = ( 0.2452830 0.2452830 0.2452830), wk = 0.0024631 k( 211) = ( 0.2547170 0.2547170 0.2547170), wk = 0.0024631 k( 212) = ( 0.2641509 0.2641509 0.2641509), wk = 0.0024631 k( 213) = ( 0.2735849 0.2735849 0.2735849), wk = 0.0024631 k( 214) = ( 0.2830189 0.2830189 0.2830189), wk = 0.0024631 k( 215) = ( 0.2924528 0.2924528 0.2924528), wk = 0.0024631 k( 216) = ( 0.3018868 0.3018868 0.3018868), wk = 0.0024631 k( 217) = ( 0.3113207 0.3113208 0.3113208), wk = 0.0024631 k( 218) = ( 0.3207547 0.3207547 0.3207547), wk = 0.0024631 k( 219) = ( 0.3301887 0.3301887 0.3301887), wk = 0.0024631 k( 220) = ( 0.3396226 0.3396226 0.3396226), wk = 0.0024631 k( 221) = ( 0.3490566 0.3490566 0.3490566), wk = 0.0024631 k( 222) = ( 0.3584906 0.3584906 0.3584906), wk = 0.0024631 k( 223) = ( 0.3679245 0.3679245 0.3679245), wk = 0.0024631 k( 224) = ( 0.3773585 0.3773585 0.3773585), wk = 0.0024631 k( 225) = ( 0.3867925 0.3867925 0.3867925), wk = 0.0024631 k( 226) = ( 0.3962264 0.3962264 0.3962264), wk = 0.0024631 k( 227) = ( 0.4056604 0.4056604 0.4056604), wk = 0.0024631 k( 228) = ( 0.4150943 0.4150943 0.4150943), wk = 0.0024631 k( 229) = ( 0.4245283 0.4245283 0.4245283), wk = 0.0024631 k( 230) = ( 0.4339623 0.4339623 0.4339623), wk = 0.0024631 k( 231) = ( 0.4433962 0.4433962 0.4433962), wk = 0.0024631 k( 232) = ( 0.4528302 0.4528302 0.4528302), wk = 0.0024631 k( 233) = ( 0.4622641 0.4622641 0.4622642), wk = 0.0024631 k( 234) = ( 0.4716981 0.4716981 0.4716981), wk = 0.0024631 k( 235) = ( 0.4811321 0.4811321 0.4811321), wk = 0.0024631 k( 236) = ( 0.4905660 0.4905660 0.4905660), wk = 0.0024631 k( 237) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024631 k( 238) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024631 k( 239) = ( 0.5032895 0.4934211 0.5032895), wk = 0.0024631 k( 240) = ( 0.5065789 0.4868421 0.5065789), wk = 0.0024631 k( 241) = ( 0.5098684 0.4802632 0.5098684), wk = 0.0024631 k( 242) = ( 0.5131579 0.4736842 0.5131579), wk = 0.0024631 k( 243) = ( 0.5164474 0.4671053 0.5164474), wk = 0.0024631 k( 244) = ( 0.5197368 0.4605263 0.5197368), wk = 0.0024631 k( 245) = ( 0.5230263 0.4539474 0.5230263), wk = 0.0024631 k( 246) = ( 0.5263158 0.4473684 0.5263158), wk = 0.0024631 k( 247) = ( 0.5296053 0.4407895 0.5296053), wk = 0.0024631 k( 248) = ( 0.5328947 0.4342105 0.5328947), wk = 0.0024631 k( 249) = ( 0.5361842 0.4276316 0.5361842), wk = 0.0024631 k( 250) = ( 0.5394737 0.4210526 0.5394737), wk = 0.0024631 k( 251) = ( 0.5427632 0.4144737 0.5427632), wk = 0.0024631 k( 252) = ( 0.5460526 0.4078947 0.5460526), wk = 0.0024631 k( 253) = ( 0.5493421 0.4013158 0.5493421), wk = 0.0024631 k( 254) = ( 0.5526316 0.3947368 0.5526316), wk = 0.0024631 k( 255) = ( 0.5559211 0.3881579 0.5559211), wk = 0.0024631 k( 256) = ( 0.5592105 0.3815789 0.5592105), wk = 0.0024631 k( 257) = ( 0.5625000 0.3750000 0.5625000), wk = 0.0024631 k( 258) = ( 0.5657895 0.3684211 0.5657895), wk = 0.0024631 k( 259) = ( 0.5690789 0.3618421 0.5690790), wk = 0.0024631 k( 260) = ( 0.5723684 0.3552632 0.5723684), wk = 0.0024631 k( 261) = ( 0.5756579 0.3486842 0.5756579), wk = 0.0024631 k( 262) = ( 0.5789474 0.3421053 0.5789474), wk = 0.0024631 k( 263) = ( 0.5822368 0.3355263 0.5822368), wk = 0.0024631 k( 264) = ( 0.5855263 0.3289474 0.5855263), wk = 0.0024631 k( 265) = ( 0.5888158 0.3223684 0.5888158), wk = 0.0024631 k( 266) = ( 0.5921053 0.3157895 0.5921053), wk = 0.0024631 k( 267) = ( 0.5953947 0.3092105 0.5953947), wk = 0.0024631 k( 268) = ( 0.5986842 0.3026316 0.5986842), wk = 0.0024631 k( 269) = ( 0.6019737 0.2960526 0.6019737), wk = 0.0024631 k( 270) = ( 0.6052632 0.2894737 0.6052632), wk = 0.0024631 k( 271) = ( 0.6085526 0.2828947 0.6085526), wk = 0.0024631 k( 272) = ( 0.6118421 0.2763158 0.6118421), wk = 0.0024631 k( 273) = ( 0.6151316 0.2697368 0.6151316), wk = 0.0024631 k( 274) = ( 0.6184211 0.2631579 0.6184211), wk = 0.0024631 k( 275) = ( 0.6217105 0.2565789 0.6217105), wk = 0.0024631 k( 276) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0024631 k( 277) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0024631 k( 278) = ( 0.6193182 0.2500000 0.6306818), wk = 0.0024631 k( 279) = ( 0.6136364 0.2500000 0.6363636), wk = 0.0024631 k( 280) = ( 0.6079545 0.2500000 0.6420455), wk = 0.0024631 k( 281) = ( 0.6022727 0.2500000 0.6477273), wk = 0.0024631 k( 282) = ( 0.5965909 0.2500000 0.6534091), wk = 0.0024631 k( 283) = ( 0.5909091 0.2500000 0.6590909), wk = 0.0024631 k( 284) = ( 0.5852273 0.2500000 0.6647727), wk = 0.0024631 k( 285) = ( 0.5795455 0.2500000 0.6704546), wk = 0.0024631 k( 286) = ( 0.5738636 0.2500000 0.6761364), wk = 0.0024631 k( 287) = ( 0.5681818 0.2500000 0.6818182), wk = 0.0024631 k( 288) = ( 0.5625000 0.2500000 0.6875000), wk = 0.0024631 k( 289) = ( 0.5568182 0.2500000 0.6931818), wk = 0.0024631 k( 290) = ( 0.5511364 0.2500000 0.6988636), wk = 0.0024631 k( 291) = ( 0.5454545 0.2500000 0.7045455), wk = 0.0024631 k( 292) = ( 0.5397727 0.2500000 0.7102273), wk = 0.0024631 k( 293) = ( 0.5340909 0.2500000 0.7159091), wk = 0.0024631 k( 294) = ( 0.5284091 0.2500000 0.7215909), wk = 0.0024631 k( 295) = ( 0.5227273 0.2500000 0.7272727), wk = 0.0024631 k( 296) = ( 0.5170455 0.2500000 0.7329546), wk = 0.0024631 k( 297) = ( 0.5113636 0.2500000 0.7386364), wk = 0.0024631 k( 298) = ( 0.5056818 0.2500000 0.7443182), wk = 0.0024631 k( 299) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024631 k( 300) = ( 0.5000000 0.2500000 0.7500000), wk = 0.0024631 k( 301) = ( 0.5000000 0.2556818 0.7443182), wk = 0.0024631 k( 302) = ( 0.5000000 0.2613636 0.7386364), wk = 0.0024631 k( 303) = ( 0.5000000 0.2670455 0.7329546), wk = 0.0024631 k( 304) = ( 0.5000000 0.2727273 0.7272727), wk = 0.0024631 k( 305) = ( 0.5000000 0.2784091 0.7215909), wk = 0.0024631 k( 306) = ( 0.5000000 0.2840909 0.7159091), wk = 0.0024631 k( 307) = ( 0.5000000 0.2897727 0.7102273), wk = 0.0024631 k( 308) = ( 0.5000000 0.2954546 0.7045455), wk = 0.0024631 k( 309) = ( 0.5000000 0.3011364 0.6988636), wk = 0.0024631 k( 310) = ( 0.5000000 0.3068182 0.6931818), wk = 0.0024631 k( 311) = ( 0.5000000 0.3125000 0.6875000), wk = 0.0024631 k( 312) = ( 0.5000000 0.3181818 0.6818182), wk = 0.0024631 k( 313) = ( 0.5000000 0.3238636 0.6761364), wk = 0.0024631 k( 314) = ( 0.5000000 0.3295455 0.6704546), wk = 0.0024631 k( 315) = ( 0.5000000 0.3352273 0.6647727), wk = 0.0024631 k( 316) = ( 0.5000000 0.3409091 0.6590909), wk = 0.0024631 k( 317) = ( 0.5000000 0.3465909 0.6534091), wk = 0.0024631 k( 318) = ( 0.5000000 0.3522727 0.6477273), wk = 0.0024631 k( 319) = ( 0.5000000 0.3579545 0.6420455), wk = 0.0024631 k( 320) = ( 0.5000000 0.3636364 0.6363636), wk = 0.0024631 k( 321) = ( 0.5000000 0.3693182 0.6306818), wk = 0.0024631 k( 322) = ( 0.5000000 0.3750000 0.6250000), wk = 0.0024631 k( 323) = ( 0.5000000 0.3806818 0.6193182), wk = 0.0024631 k( 324) = ( 0.5000000 0.3863636 0.6136364), wk = 0.0024631 k( 325) = ( 0.5000000 0.3920455 0.6079546), wk = 0.0024631 k( 326) = ( 0.5000000 0.3977273 0.6022727), wk = 0.0024631 k( 327) = ( 0.5000000 0.4034091 0.5965909), wk = 0.0024631 k( 328) = ( 0.5000000 0.4090909 0.5909091), wk = 0.0024631 k( 329) = ( 0.5000000 0.4147727 0.5852273), wk = 0.0024631 k( 330) = ( 0.5000000 0.4204545 0.5795455), wk = 0.0024631 k( 331) = ( 0.5000000 0.4261364 0.5738636), wk = 0.0024631 k( 332) = ( 0.5000000 0.4318182 0.5681818), wk = 0.0024631 k( 333) = ( 0.5000000 0.4375000 0.5625000), wk = 0.0024631 k( 334) = ( 0.5000000 0.4431818 0.5568182), wk = 0.0024631 k( 335) = ( 0.5000000 0.4488636 0.5511364), wk = 0.0024631 k( 336) = ( 0.5000000 0.4545455 0.5454546), wk = 0.0024631 k( 337) = ( 0.5000000 0.4602273 0.5397727), wk = 0.0024631 k( 338) = ( 0.5000000 0.4659091 0.5340909), wk = 0.0024631 k( 339) = ( 0.5000000 0.4715909 0.5284091), wk = 0.0024631 k( 340) = ( 0.5000000 0.4772727 0.5227273), wk = 0.0024631 k( 341) = ( 0.5000000 0.4829545 0.5170455), wk = 0.0024631 k( 342) = ( 0.5000000 0.4886364 0.5113636), wk = 0.0024631 k( 343) = ( 0.5000000 0.4943182 0.5056818), wk = 0.0024631 k( 344) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024631 k( 345) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024631 k( 346) = ( 0.4967105 0.4967105 0.5065790), wk = 0.0024631 k( 347) = ( 0.4934211 0.4934211 0.5131579), wk = 0.0024631 k( 348) = ( 0.4901316 0.4901316 0.5197368), wk = 0.0024631 k( 349) = ( 0.4868421 0.4868421 0.5263158), wk = 0.0024631 k( 350) = ( 0.4835526 0.4835526 0.5328947), wk = 0.0024631 k( 351) = ( 0.4802632 0.4802632 0.5394737), wk = 0.0024631 k( 352) = ( 0.4769737 0.4769737 0.5460526), wk = 0.0024631 k( 353) = ( 0.4736842 0.4736842 0.5526316), wk = 0.0024631 k( 354) = ( 0.4703947 0.4703947 0.5592105), wk = 0.0024631 k( 355) = ( 0.4671053 0.4671053 0.5657895), wk = 0.0024631 k( 356) = ( 0.4638158 0.4638158 0.5723684), wk = 0.0024631 k( 357) = ( 0.4605263 0.4605263 0.5789474), wk = 0.0024631 k( 358) = ( 0.4572368 0.4572368 0.5855263), wk = 0.0024631 k( 359) = ( 0.4539474 0.4539474 0.5921053), wk = 0.0024631 k( 360) = ( 0.4506579 0.4506579 0.5986842), wk = 0.0024631 k( 361) = ( 0.4473684 0.4473684 0.6052632), wk = 0.0024631 k( 362) = ( 0.4440789 0.4440789 0.6118421), wk = 0.0024631 k( 363) = ( 0.4407895 0.4407895 0.6184211), wk = 0.0024631 k( 364) = ( 0.4375000 0.4375000 0.6250000), wk = 0.0024631 k( 365) = ( 0.4342105 0.4342105 0.6315789), wk = 0.0024631 k( 366) = ( 0.4309211 0.4309211 0.6381579), wk = 0.0024631 k( 367) = ( 0.4276316 0.4276316 0.6447368), wk = 0.0024631 k( 368) = ( 0.4243421 0.4243421 0.6513158), wk = 0.0024631 k( 369) = ( 0.4210526 0.4210526 0.6578947), wk = 0.0024631 k( 370) = ( 0.4177632 0.4177632 0.6644737), wk = 0.0024631 k( 371) = ( 0.4144737 0.4144737 0.6710526), wk = 0.0024631 k( 372) = ( 0.4111842 0.4111842 0.6776316), wk = 0.0024631 k( 373) = ( 0.4078947 0.4078947 0.6842105), wk = 0.0024631 k( 374) = ( 0.4046053 0.4046053 0.6907895), wk = 0.0024631 k( 375) = ( 0.4013158 0.4013158 0.6973684), wk = 0.0024631 k( 376) = ( 0.3980263 0.3980263 0.7039474), wk = 0.0024631 k( 377) = ( 0.3947368 0.3947368 0.7105263), wk = 0.0024631 k( 378) = ( 0.3914474 0.3914474 0.7171053), wk = 0.0024631 k( 379) = ( 0.3881579 0.3881579 0.7236842), wk = 0.0024631 k( 380) = ( 0.3848684 0.3848684 0.7302632), wk = 0.0024631 k( 381) = ( 0.3815789 0.3815790 0.7368421), wk = 0.0024631 k( 382) = ( 0.3782895 0.3782895 0.7434211), wk = 0.0024631 k( 383) = ( 0.3750000 0.3750000 0.7500000), wk = 0.0024631 k( 384) = ( 0.6250000 0.2500000 0.6250000), wk = 0.0024631 k( 385) = ( 0.6193182 0.2386364 0.6193182), wk = 0.0024631 k( 386) = ( 0.6136364 0.2272727 0.6136364), wk = 0.0024631 k( 387) = ( 0.6079545 0.2159091 0.6079546), wk = 0.0024631 k( 388) = ( 0.6022727 0.2045454 0.6022727), wk = 0.0024631 k( 389) = ( 0.5965909 0.1931818 0.5965909), wk = 0.0024631 k( 390) = ( 0.5909091 0.1818182 0.5909091), wk = 0.0024631 k( 391) = ( 0.5852273 0.1704545 0.5852273), wk = 0.0024631 k( 392) = ( 0.5795455 0.1590909 0.5795455), wk = 0.0024631 k( 393) = ( 0.5738636 0.1477273 0.5738636), wk = 0.0024631 k( 394) = ( 0.5681818 0.1363636 0.5681818), wk = 0.0024631 k( 395) = ( 0.5625000 0.1250000 0.5625000), wk = 0.0024631 k( 396) = ( 0.5568182 0.1136364 0.5568182), wk = 0.0024631 k( 397) = ( 0.5511364 0.1022727 0.5511364), wk = 0.0024631 k( 398) = ( 0.5454545 0.0909091 0.5454546), wk = 0.0024631 k( 399) = ( 0.5397727 0.0795454 0.5397727), wk = 0.0024631 k( 400) = ( 0.5340909 0.0681818 0.5340909), wk = 0.0024631 k( 401) = ( 0.5284091 0.0568182 0.5284091), wk = 0.0024631 k( 402) = ( 0.5227273 0.0454545 0.5227273), wk = 0.0024631 k( 403) = ( 0.5170455 0.0340909 0.5170455), wk = 0.0024631 k( 404) = ( 0.5113636 0.0227273 0.5113636), wk = 0.0024631 k( 405) = ( 0.5056818 0.0113636 0.5056818), wk = 0.0024631 k( 406) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024631 Dense grid: 22995 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 10081 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 80, 24) NL pseudopotentials 0.03 Mb ( 40, 48) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.00 Mb ( 638) G-vector shells 0.00 Mb ( 218) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.12 Mb ( 80, 96) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.04 Mb ( 48, 2, 24) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./SrO.save/charge-density.dat Starting wfc are 24 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.0 secs Computing kpt #: 3 total cpu time spent up to now is 2.1 secs Computing kpt #: 4 total cpu time spent up to now is 2.2 secs Computing kpt #: 5 total cpu time spent up to now is 2.3 secs Computing kpt #: 6 total cpu time spent up to now is 2.4 secs Computing kpt #: 7 total cpu time spent up to now is 2.5 secs Computing kpt #: 8 total cpu time spent up to now is 2.5 secs Computing kpt #: 9 total cpu time spent up to now is 2.6 secs Computing kpt #: 10 total cpu time spent up to now is 2.7 secs Computing kpt #: 11 total cpu time spent up to now is 2.8 secs Computing kpt #: 12 total cpu time spent up to now is 2.9 secs Computing kpt #: 13 total cpu time spent up to now is 3.0 secs Computing kpt #: 14 total cpu time spent up to now is 3.1 secs Computing kpt #: 15 total cpu time spent up to now is 3.2 secs Computing kpt #: 16 total cpu time spent up to now is 3.3 secs Computing kpt #: 17 total cpu time spent up to now is 3.4 secs Computing kpt #: 18 total cpu time spent up to now is 3.5 secs Computing kpt #: 19 total cpu time spent up to now is 3.5 secs Computing kpt #: 20 total cpu time spent up to now is 3.6 secs Computing kpt #: 21 total cpu time spent up to now is 3.7 secs Computing kpt #: 22 total cpu time spent up to now is 3.8 secs Computing kpt #: 23 total cpu time spent up to now is 4.3 secs Computing kpt #: 24 total cpu time spent up to now is 4.4 secs Computing kpt #: 25 total cpu time spent up to now is 4.5 secs Computing kpt #: 26 total cpu time spent up to now is 4.5 secs Computing kpt #: 27 total cpu time spent up to now is 4.6 secs Computing kpt #: 28 total cpu time spent up to now is 4.7 secs Computing kpt #: 29 total cpu time spent up to now is 4.8 secs Computing kpt #: 30 total cpu time spent up to now is 4.9 secs Computing kpt #: 31 total cpu time spent up to now is 5.0 secs Computing kpt #: 32 total cpu time spent up to now is 5.1 secs Computing kpt #: 33 total cpu time spent up to now is 5.2 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 5.4 secs Computing kpt #: 37 total cpu time spent up to now is 5.5 secs Computing kpt #: 38 total cpu time spent up to now is 5.6 secs Computing kpt #: 39 total cpu time spent up to now is 5.7 secs Computing kpt #: 40 total cpu time spent up to now is 5.8 secs Computing kpt #: 41 total cpu time spent up to now is 5.9 secs Computing kpt #: 42 total cpu time spent up to now is 6.0 secs Computing kpt #: 43 total cpu time spent up to now is 6.1 secs Computing kpt #: 44 total cpu time spent up to now is 6.2 secs Computing kpt #: 45 total cpu time spent up to now is 6.3 secs Computing kpt #: 46 total cpu time spent up to now is 6.4 secs Computing kpt #: 47 total cpu time spent up to now is 6.5 secs Computing kpt #: 48 total cpu time spent up to now is 6.6 secs Computing kpt #: 49 total cpu time spent up to now is 6.7 secs Computing kpt #: 50 total cpu time spent up to now is 6.8 secs Computing kpt #: 51 total cpu time spent up to now is 6.9 secs Computing kpt #: 52 total cpu time spent up to now is 7.0 secs Computing kpt #: 53 total cpu time spent up to now is 7.1 secs Computing kpt #: 54 total cpu time spent up to now is 7.2 secs Computing kpt #: 55 total cpu time spent up to now is 7.3 secs Computing kpt #: 56 total cpu time spent up to now is 7.4 secs Computing kpt #: 57 total cpu time spent up to now is 7.5 secs Computing kpt #: 58 total cpu time spent up to now is 7.6 secs Computing kpt #: 59 total cpu time spent up to now is 7.7 secs Computing kpt #: 60 total cpu time spent up to now is 7.8 secs Computing kpt #: 61 total cpu time spent up to now is 7.9 secs Computing kpt #: 62 total cpu time spent up to now is 8.0 secs Computing kpt #: 63 total cpu time spent up to now is 8.1 secs Computing kpt #: 64 total cpu time spent up to now is 8.2 secs Computing kpt #: 65 total cpu time spent up to now is 8.3 secs Computing kpt #: 66 total cpu time spent up to now is 8.4 secs Computing kpt #: 67 total cpu time spent up to now is 8.5 secs Computing kpt #: 68 total cpu time spent up to now is 8.6 secs Computing kpt #: 69 total cpu time spent up to now is 8.7 secs Computing kpt #: 70 total cpu time spent up to now is 8.8 secs Computing kpt #: 71 total cpu time spent up to now is 8.9 secs Computing kpt #: 72 total cpu time spent up to now is 9.0 secs Computing kpt #: 73 total cpu time spent up to now is 9.1 secs Computing kpt #: 74 total cpu time spent up to now is 9.2 secs Computing kpt #: 75 total cpu time spent up to now is 9.3 secs Computing kpt #: 76 total cpu time spent up to now is 9.4 secs Computing kpt #: 77 total cpu time spent up to now is 9.5 secs Computing kpt #: 78 total cpu time spent up to now is 9.6 secs Computing kpt #: 79 total cpu time spent up to now is 9.7 secs Computing kpt #: 80 total cpu time spent up to now is 9.8 secs Computing kpt #: 81 total cpu time spent up to now is 9.9 secs Computing kpt #: 82 total cpu time spent up to now is 10.0 secs Computing kpt #: 83 total cpu time spent up to now is 10.1 secs Computing kpt #: 84 total cpu time spent up to now is 10.2 secs Computing kpt #: 85 total cpu time spent up to now is 10.3 secs Computing kpt #: 86 total cpu time spent up to now is 10.4 secs Computing kpt #: 87 total cpu time spent up to now is 10.5 secs Computing kpt #: 88 total cpu time spent up to now is 10.6 secs Computing kpt #: 89 total cpu time spent up to now is 10.7 secs Computing kpt #: 90 total cpu time spent up to now is 10.8 secs Computing kpt #: 91 total cpu time spent up to now is 10.9 secs Computing kpt #: 92 total cpu time spent up to now is 11.0 secs Computing kpt #: 93 total cpu time spent up to now is 11.1 secs Computing kpt #: 94 total cpu time spent up to now is 11.2 secs Computing kpt #: 95 total cpu time spent up to now is 11.3 secs Computing kpt #: 96 total cpu time spent up to now is 11.4 secs Computing kpt #: 97 total cpu time spent up to now is 11.5 secs Computing kpt #: 98 total cpu time spent up to now is 11.6 secs Computing kpt #: 99 total cpu time spent up to now is 11.7 secs Computing kpt #: 100 total cpu time spent up to now is 11.8 secs Computing kpt #: 101 total cpu time spent up to now is 11.9 secs Computing kpt #: 102 total cpu time spent up to now is 12.0 secs Computing kpt #: 103 total cpu time spent up to now is 12.1 secs Computing kpt #: 104 total cpu time spent up to now is 12.3 secs Computing kpt #: 105 total cpu time spent up to now is 12.4 secs Computing kpt #: 106 total cpu time spent up to now is 12.5 secs Computing kpt #: 107 total cpu time spent up to now is 12.6 secs Computing kpt #: 108 total cpu time spent up to now is 12.7 secs Computing kpt #: 109 total cpu time spent up to now is 12.8 secs Computing kpt #: 110 total cpu time spent up to now is 12.9 secs Computing kpt #: 111 total cpu time spent up to now is 13.0 secs Computing kpt #: 112 total cpu time spent up to now is 13.1 secs Computing kpt #: 113 total cpu time spent up to now is 13.2 secs Computing kpt #: 114 total cpu time spent up to now is 13.3 secs Computing kpt #: 115 total cpu time spent up to now is 13.4 secs Computing kpt #: 116 total cpu time spent up to now is 13.5 secs Computing kpt #: 117 total cpu time spent up to now is 13.6 secs Computing kpt #: 118 total cpu time spent up to now is 13.7 secs Computing kpt #: 119 total cpu time spent up to now is 13.8 secs Computing kpt #: 120 total cpu time spent up to now is 13.9 secs Computing kpt #: 121 total cpu time spent up to now is 14.4 secs Computing kpt #: 122 total cpu time spent up to now is 14.5 secs Computing kpt #: 123 total cpu time spent up to now is 14.6 secs Computing kpt #: 124 total cpu time spent up to now is 14.7 secs Computing kpt #: 125 total cpu time spent up to now is 14.8 secs Computing kpt #: 126 total cpu time spent up to now is 14.9 secs Computing kpt #: 127 total cpu time spent up to now is 15.0 secs Computing kpt #: 128 total cpu time spent up to now is 15.1 secs Computing kpt #: 129 total cpu time spent up to now is 15.2 secs Computing kpt #: 130 total cpu time spent up to now is 15.3 secs Computing kpt #: 131 total cpu time spent up to now is 15.4 secs Computing kpt #: 132 total cpu time spent up to now is 15.5 secs Computing kpt #: 133 total cpu time spent up to now is 15.5 secs Computing kpt #: 134 total cpu time spent up to now is 15.6 secs Computing kpt #: 135 total cpu time spent up to now is 15.7 secs Computing kpt #: 136 total cpu time spent up to now is 15.8 secs Computing kpt #: 137 total cpu time spent up to now is 15.9 secs Computing kpt #: 138 total cpu time spent up to now is 16.0 secs Computing kpt #: 139 total cpu time spent up to now is 16.1 secs Computing kpt #: 140 total cpu time spent up to now is 16.2 secs Computing kpt #: 141 total cpu time spent up to now is 16.3 secs Computing kpt #: 142 total cpu time spent up to now is 16.4 secs Computing kpt #: 143 total cpu time spent up to now is 16.5 secs Computing kpt #: 144 total cpu time spent up to now is 16.6 secs Computing kpt #: 145 total cpu time spent up to now is 16.7 secs Computing kpt #: 146 total cpu time spent up to now is 16.8 secs Computing kpt #: 147 total cpu time spent up to now is 16.8 secs Computing kpt #: 148 total cpu time spent up to now is 16.9 secs Computing kpt #: 149 total cpu time spent up to now is 17.0 secs Computing kpt #: 150 total cpu time spent up to now is 17.1 secs Computing kpt #: 151 total cpu time spent up to now is 17.2 secs Computing kpt #: 152 total cpu time spent up to now is 17.3 secs Computing kpt #: 153 total cpu time spent up to now is 17.4 secs Computing kpt #: 154 total cpu time spent up to now is 17.5 secs Computing kpt #: 155 total cpu time spent up to now is 17.6 secs Computing kpt #: 156 total cpu time spent up to now is 17.7 secs Computing kpt #: 157 total cpu time spent up to now is 17.8 secs Computing kpt #: 158 total cpu time spent up to now is 17.9 secs Computing kpt #: 159 total cpu time spent up to now is 18.0 secs Computing kpt #: 160 total cpu time spent up to now is 18.1 secs Computing kpt #: 161 total cpu time spent up to now is 18.1 secs Computing kpt #: 162 total cpu time spent up to now is 18.2 secs Computing kpt #: 163 total cpu time spent up to now is 18.3 secs Computing kpt #: 164 total cpu time spent up to now is 18.4 secs Computing kpt #: 165 total cpu time spent up to now is 18.5 secs Computing kpt #: 166 total cpu time spent up to now is 18.6 secs Computing kpt #: 167 total cpu time spent up to now is 18.7 secs Computing kpt #: 168 total cpu time spent up to now is 18.8 secs Computing kpt #: 169 total cpu time spent up to now is 18.9 secs Computing kpt #: 170 total cpu time spent up to now is 19.0 secs Computing kpt #: 171 total cpu time spent up to now is 19.1 secs Computing kpt #: 172 total cpu time spent up to now is 19.1 secs Computing kpt #: 173 total cpu time spent up to now is 19.2 secs Computing kpt #: 174 total cpu time spent up to now is 19.3 secs Computing kpt #: 175 total cpu time spent up to now is 19.4 secs Computing kpt #: 176 total cpu time spent up to now is 19.5 secs Computing kpt #: 177 total cpu time spent up to now is 19.6 secs Computing kpt #: 178 total cpu time spent up to now is 19.7 secs Computing kpt #: 179 total cpu time spent up to now is 19.8 secs Computing kpt #: 180 total cpu time spent up to now is 19.9 secs Computing kpt #: 181 total cpu time spent up to now is 20.0 secs Computing kpt #: 182 total cpu time spent up to now is 20.1 secs Computing kpt #: 183 total cpu time spent up to now is 20.1 secs Computing kpt #: 184 total cpu time spent up to now is 20.2 secs Computing kpt #: 185 total cpu time spent up to now is 20.3 secs Computing kpt #: 186 total cpu time spent up to now is 20.4 secs Computing kpt #: 187 total cpu time spent up to now is 20.5 secs Computing kpt #: 188 total cpu time spent up to now is 20.6 secs Computing kpt #: 189 total cpu time spent up to now is 20.7 secs Computing kpt #: 190 total cpu time spent up to now is 20.8 secs Computing kpt #: 191 total cpu time spent up to now is 20.9 secs Computing kpt #: 192 total cpu time spent up to now is 21.0 secs Computing kpt #: 193 total cpu time spent up to now is 21.0 secs Computing kpt #: 194 total cpu time spent up to now is 21.1 secs Computing kpt #: 195 total cpu time spent up to now is 21.2 secs Computing kpt #: 196 total cpu time spent up to now is 21.3 secs Computing kpt #: 197 total cpu time spent up to now is 21.4 secs Computing kpt #: 198 total cpu time spent up to now is 21.5 secs Computing kpt #: 199 total cpu time spent up to now is 21.6 secs Computing kpt #: 200 total cpu time spent up to now is 21.7 secs Computing kpt #: 201 total cpu time spent up to now is 21.7 secs Computing kpt #: 202 total cpu time spent up to now is 21.8 secs Computing kpt #: 203 total cpu time spent up to now is 21.9 secs Computing kpt #: 204 total cpu time spent up to now is 22.0 secs Computing kpt #: 205 total cpu time spent up to now is 22.1 secs Computing kpt #: 206 total cpu time spent up to now is 22.2 secs Computing kpt #: 207 total cpu time spent up to now is 22.2 secs Computing kpt #: 208 total cpu time spent up to now is 22.3 secs Computing kpt #: 209 total cpu time spent up to now is 22.4 secs Computing kpt #: 210 total cpu time spent up to now is 22.5 secs Computing kpt #: 211 total cpu time spent up to now is 22.6 secs Computing kpt #: 212 total cpu time spent up to now is 22.7 secs Computing kpt #: 213 total cpu time spent up to now is 22.8 secs Computing kpt #: 214 total cpu time spent up to now is 22.8 secs Computing kpt #: 215 total cpu time spent up to now is 22.9 secs Computing kpt #: 216 total cpu time spent up to now is 23.0 secs Computing kpt #: 217 total cpu time spent up to now is 23.1 secs Computing kpt #: 218 total cpu time spent up to now is 23.2 secs Computing kpt #: 219 total cpu time spent up to now is 23.3 secs Computing kpt #: 220 total cpu time spent up to now is 23.4 secs Computing kpt #: 221 total cpu time spent up to now is 23.5 secs Computing kpt #: 222 total cpu time spent up to now is 23.5 secs Computing kpt #: 223 total cpu time spent up to now is 23.6 secs Computing kpt #: 224 total cpu time spent up to now is 23.7 secs Computing kpt #: 225 total cpu time spent up to now is 23.8 secs Computing kpt #: 226 total cpu time spent up to now is 23.9 secs Computing kpt #: 227 total cpu time spent up to now is 24.0 secs Computing kpt #: 228 total cpu time spent up to now is 24.1 secs Computing kpt #: 229 total cpu time spent up to now is 24.2 secs Computing kpt #: 230 total cpu time spent up to now is 24.3 secs Computing kpt #: 231 total cpu time spent up to now is 24.3 secs Computing kpt #: 232 total cpu time spent up to now is 24.4 secs Computing kpt #: 233 total cpu time spent up to now is 24.5 secs Computing kpt #: 234 total cpu time spent up to now is 24.6 secs Computing kpt #: 235 total cpu time spent up to now is 24.7 secs Computing kpt #: 236 total cpu time spent up to now is 24.8 secs Computing kpt #: 237 total cpu time spent up to now is 24.9 secs Computing kpt #: 238 total cpu time spent up to now is 25.0 secs Computing kpt #: 239 total cpu time spent up to now is 25.1 secs Computing kpt #: 240 total cpu time spent up to now is 25.1 secs Computing kpt #: 241 total cpu time spent up to now is 25.2 secs Computing kpt #: 242 total cpu time spent up to now is 25.3 secs Computing kpt #: 243 total cpu time spent up to now is 25.4 secs Computing kpt #: 244 total cpu time spent up to now is 25.5 secs Computing kpt #: 245 total cpu time spent up to now is 25.6 secs Computing kpt #: 246 total cpu time spent up to now is 25.7 secs Computing kpt #: 247 total cpu time spent up to now is 25.8 secs Computing kpt #: 248 total cpu time spent up to now is 25.9 secs Computing kpt #: 249 total cpu time spent up to now is 26.0 secs Computing kpt #: 250 total cpu time spent up to now is 26.1 secs Computing kpt #: 251 total cpu time spent up to now is 26.2 secs Computing kpt #: 252 total cpu time spent up to now is 26.3 secs Computing kpt #: 253 total cpu time spent up to now is 26.3 secs Computing kpt #: 254 total cpu time spent up to now is 26.4 secs Computing kpt #: 255 total cpu time spent up to now is 26.5 secs Computing kpt #: 256 total cpu time spent up to now is 26.6 secs Computing kpt #: 257 total cpu time spent up to now is 26.7 secs Computing kpt #: 258 total cpu time spent up to now is 26.8 secs Computing kpt #: 259 total cpu time spent up to now is 26.9 secs Computing kpt #: 260 total cpu time spent up to now is 27.0 secs Computing kpt #: 261 total cpu time spent up to now is 27.1 secs Computing kpt #: 262 total cpu time spent up to now is 27.2 secs Computing kpt #: 263 total cpu time spent up to now is 27.3 secs Computing kpt #: 264 total cpu time spent up to now is 27.4 secs Computing kpt #: 265 total cpu time spent up to now is 27.5 secs Computing kpt #: 266 total cpu time spent up to now is 27.6 secs Computing kpt #: 267 total cpu time spent up to now is 27.7 secs Computing kpt #: 268 total cpu time spent up to now is 27.8 secs Computing kpt #: 269 total cpu time spent up to now is 27.9 secs Computing kpt #: 270 total cpu time spent up to now is 28.0 secs Computing kpt #: 271 total cpu time spent up to now is 28.1 secs Computing kpt #: 272 total cpu time spent up to now is 28.2 secs Computing kpt #: 273 total cpu time spent up to now is 28.3 secs Computing kpt #: 274 total cpu time spent up to now is 28.4 secs Computing kpt #: 275 total cpu time spent up to now is 28.5 secs Computing kpt #: 276 total cpu time spent up to now is 28.6 secs Computing kpt #: 277 total cpu time spent up to now is 28.7 secs Computing kpt #: 278 total cpu time spent up to now is 28.8 secs Computing kpt #: 279 total cpu time spent up to now is 28.9 secs Computing kpt #: 280 total cpu time spent up to now is 29.0 secs Computing kpt #: 281 total cpu time spent up to now is 29.1 secs Computing kpt #: 282 total cpu time spent up to now is 29.2 secs Computing kpt #: 283 total cpu time spent up to now is 29.3 secs Computing kpt #: 284 total cpu time spent up to now is 29.4 secs Computing kpt #: 285 total cpu time spent up to now is 29.5 secs Computing kpt #: 286 total cpu time spent up to now is 29.6 secs Computing kpt #: 287 total cpu time spent up to now is 29.7 secs Computing kpt #: 288 total cpu time spent up to now is 29.8 secs Computing kpt #: 289 total cpu time spent up to now is 29.9 secs Computing kpt #: 290 total cpu time spent up to now is 30.0 secs Computing kpt #: 291 total cpu time spent up to now is 30.1 secs Computing kpt #: 292 total cpu time spent up to now is 30.2 secs Computing kpt #: 293 total cpu time spent up to now is 30.3 secs Computing kpt #: 294 total cpu time spent up to now is 30.4 secs Computing kpt #: 295 total cpu time spent up to now is 30.5 secs Computing kpt #: 296 total cpu time spent up to now is 30.6 secs Computing kpt #: 297 total cpu time spent up to now is 30.7 secs Computing kpt #: 298 total cpu time spent up to now is 30.8 secs Computing kpt #: 299 total cpu time spent up to now is 30.9 secs Computing kpt #: 300 total cpu time spent up to now is 31.0 secs Computing kpt #: 301 total cpu time spent up to now is 31.1 secs Computing kpt #: 302 total cpu time spent up to now is 31.2 secs Computing kpt #: 303 total cpu time spent up to now is 31.3 secs Computing kpt #: 304 total cpu time spent up to now is 31.4 secs Computing kpt #: 305 total cpu time spent up to now is 31.5 secs Computing kpt #: 306 total cpu time spent up to now is 31.6 secs Computing kpt #: 307 total cpu time spent up to now is 31.7 secs Computing kpt #: 308 total cpu time spent up to now is 31.8 secs Computing kpt #: 309 total cpu time spent up to now is 31.9 secs Computing kpt #: 310 total cpu time spent up to now is 32.0 secs Computing kpt #: 311 total cpu time spent up to now is 32.1 secs Computing kpt #: 312 total cpu time spent up to now is 32.2 secs Computing kpt #: 313 total cpu time spent up to now is 32.3 secs Computing kpt #: 314 total cpu time spent up to now is 32.4 secs Computing kpt #: 315 total cpu time spent up to now is 32.5 secs Computing kpt #: 316 total cpu time spent up to now is 32.6 secs Computing kpt #: 317 total cpu time spent up to now is 32.7 secs Computing kpt #: 318 total cpu time spent up to now is 32.8 secs Computing kpt #: 319 total cpu time spent up to now is 32.9 secs Computing kpt #: 320 total cpu time spent up to now is 33.0 secs Computing kpt #: 321 total cpu time spent up to now is 33.1 secs Computing kpt #: 322 total cpu time spent up to now is 33.2 secs Computing kpt #: 323 total cpu time spent up to now is 33.3 secs Computing kpt #: 324 total cpu time spent up to now is 33.4 secs Computing kpt #: 325 total cpu time spent up to now is 33.5 secs Computing kpt #: 326 total cpu time spent up to now is 33.6 secs Computing kpt #: 327 total cpu time spent up to now is 33.7 secs Computing kpt #: 328 total cpu time spent up to now is 33.8 secs Computing kpt #: 329 total cpu time spent up to now is 33.9 secs Computing kpt #: 330 total cpu time spent up to now is 34.0 secs Computing kpt #: 331 total cpu time spent up to now is 34.0 secs Computing kpt #: 332 total cpu time spent up to now is 34.1 secs Computing kpt #: 333 total cpu time spent up to now is 34.2 secs Computing kpt #: 334 total cpu time spent up to now is 34.3 secs Computing kpt #: 335 total cpu time spent up to now is 34.4 secs Computing kpt #: 336 total cpu time spent up to now is 34.5 secs Computing kpt #: 337 total cpu time spent up to now is 34.6 secs Computing kpt #: 338 total cpu time spent up to now is 34.7 secs Computing kpt #: 339 total cpu time spent up to now is 34.8 secs Computing kpt #: 340 total cpu time spent up to now is 34.9 secs Computing kpt #: 341 total cpu time spent up to now is 35.0 secs Computing kpt #: 342 total cpu time spent up to now is 35.1 secs Computing kpt #: 343 total cpu time spent up to now is 35.2 secs Computing kpt #: 344 total cpu time spent up to now is 35.3 secs Computing kpt #: 345 total cpu time spent up to now is 35.3 secs Computing kpt #: 346 total cpu time spent up to now is 35.4 secs Computing kpt #: 347 total cpu time spent up to now is 35.5 secs Computing kpt #: 348 total cpu time spent up to now is 35.6 secs Computing kpt #: 349 total cpu time spent up to now is 35.7 secs Computing kpt #: 350 total cpu time spent up to now is 35.8 secs Computing kpt #: 351 total cpu time spent up to now is 35.9 secs Computing kpt #: 352 total cpu time spent up to now is 36.0 secs Computing kpt #: 353 total cpu time spent up to now is 36.1 secs Computing kpt #: 354 total cpu time spent up to now is 36.2 secs Computing kpt #: 355 total cpu time spent up to now is 36.3 secs Computing kpt #: 356 total cpu time spent up to now is 36.4 secs Computing kpt #: 357 total cpu time spent up to now is 36.5 secs Computing kpt #: 358 total cpu time spent up to now is 36.6 secs Computing kpt #: 359 total cpu time spent up to now is 36.6 secs Computing kpt #: 360 total cpu time spent up to now is 36.7 secs Computing kpt #: 361 total cpu time spent up to now is 36.8 secs Computing kpt #: 362 total cpu time spent up to now is 36.9 secs Computing kpt #: 363 total cpu time spent up to now is 37.0 secs Computing kpt #: 364 total cpu time spent up to now is 37.1 secs Computing kpt #: 365 total cpu time spent up to now is 37.2 secs Computing kpt #: 366 total cpu time spent up to now is 37.3 secs Computing kpt #: 367 total cpu time spent up to now is 37.4 secs Computing kpt #: 368 total cpu time spent up to now is 37.5 secs Computing kpt #: 369 total cpu time spent up to now is 37.6 secs Computing kpt #: 370 total cpu time spent up to now is 37.7 secs Computing kpt #: 371 total cpu time spent up to now is 37.8 secs Computing kpt #: 372 total cpu time spent up to now is 37.9 secs Computing kpt #: 373 total cpu time spent up to now is 38.0 secs Computing kpt #: 374 total cpu time spent up to now is 38.1 secs Computing kpt #: 375 total cpu time spent up to now is 38.2 secs Computing kpt #: 376 total cpu time spent up to now is 38.3 secs Computing kpt #: 377 total cpu time spent up to now is 38.4 secs Computing kpt #: 378 total cpu time spent up to now is 38.5 secs Computing kpt #: 379 total cpu time spent up to now is 38.5 secs Computing kpt #: 380 total cpu time spent up to now is 38.6 secs Computing kpt #: 381 total cpu time spent up to now is 38.7 secs Computing kpt #: 382 total cpu time spent up to now is 38.8 secs Computing kpt #: 383 total cpu time spent up to now is 38.9 secs Computing kpt #: 384 total cpu time spent up to now is 39.0 secs Computing kpt #: 385 total cpu time spent up to now is 39.1 secs Computing kpt #: 386 total cpu time spent up to now is 39.2 secs Computing kpt #: 387 total cpu time spent up to now is 39.4 secs Computing kpt #: 388 total cpu time spent up to now is 39.5 secs Computing kpt #: 389 total cpu time spent up to now is 39.6 secs Computing kpt #: 390 total cpu time spent up to now is 39.7 secs Computing kpt #: 391 total cpu time spent up to now is 39.8 secs Computing kpt #: 392 total cpu time spent up to now is 39.8 secs Computing kpt #: 393 total cpu time spent up to now is 39.9 secs Computing kpt #: 394 total cpu time spent up to now is 40.0 secs Computing kpt #: 395 total cpu time spent up to now is 40.1 secs Computing kpt #: 396 total cpu time spent up to now is 40.2 secs Computing kpt #: 397 total cpu time spent up to now is 40.3 secs Computing kpt #: 398 total cpu time spent up to now is 40.4 secs Computing kpt #: 399 total cpu time spent up to now is 40.5 secs Computing kpt #: 400 total cpu time spent up to now is 40.6 secs Computing kpt #: 401 total cpu time spent up to now is 40.7 secs Computing kpt #: 402 total cpu time spent up to now is 40.8 secs Computing kpt #: 403 total cpu time spent up to now is 40.9 secs Computing kpt #: 404 total cpu time spent up to now is 41.0 secs Computing kpt #: 405 total cpu time spent up to now is 41.1 secs Computing kpt #: 406 total cpu time spent up to now is 41.2 secs ethr = 6.25E-08, avg # of iterations = 15.4 total cpu time spent up to now is 41.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1243 PWs) bands (ev): -24.4377 -24.4377 -7.1458 -7.1458 -6.8923 -6.8923 -5.7190 -5.7190 -5.7190 -5.7190 7.8650 7.8650 7.9260 7.9260 7.9260 7.9260 11.8264 11.8264 14.1247 14.1247 14.1247 14.1247 14.1624 14.1624 k = 0.0082-0.0047 0.0067 ( 1243 PWs) bands (ev): -24.4376 -24.4376 -7.1510 -7.1510 -6.8887 -6.8887 -5.7193 -5.7193 -5.7177 -5.7177 7.8632 7.8632 7.9228 7.9228 7.9257 7.9257 11.8309 11.8309 14.1230 14.1230 14.1276 14.1276 14.1634 14.1634 k = 0.0164-0.0095 0.0134 ( 1243 PWs) bands (ev): -24.4372 -24.4372 -7.1654 -7.1654 -6.8788 -6.8788 -5.7201 -5.7201 -5.7137 -5.7137 7.8570 7.8570 7.9140 7.9140 7.9246 7.9246 11.8442 11.8442 14.1160 14.1160 14.1363 14.1363 14.1685 14.1685 k = 0.0246-0.0142 0.0201 ( 1243 PWs) bands (ev): -24.4366 -24.4366 -7.1872 -7.1872 -6.8645 -6.8645 -5.7213 -5.7213 -5.7071 -5.7071 7.8436 7.8436 7.9027 7.9027 7.9228 7.9228 11.8661 11.8661 14.1009 14.1009 14.1507 14.1507 14.1803 14.1803 k = 0.0328-0.0189 0.0268 ( 1243 PWs) bands (ev): -24.4358 -24.4358 -7.2143 -7.2143 -6.8478 -6.8478 -5.7231 -5.7231 -5.6981 -5.6981 7.8202 7.8202 7.8924 7.8924 7.9204 7.9204 11.8962 11.8962 14.0778 14.0778 14.1709 14.1709 14.1990 14.1990 k = 0.0410-0.0237 0.0335 ( 1243 PWs) bands (ev): -24.4348 -24.4348 -7.2450 -7.2450 -6.8303 -6.8303 -5.7254 -5.7254 -5.6867 -5.6867 7.7862 7.7862 7.8844 7.8844 7.9174 7.9174 11.9337 11.9337 14.0476 14.0476 14.1967 14.1967 14.2242 14.2242 k = 0.0492-0.0284 0.0402 ( 1251 PWs) bands (ev): -24.4336 -24.4336 -7.2782 -7.2782 -6.8129 -6.8129 -5.7281 -5.7281 -5.6731 -5.6731 7.7433 7.7433 7.8777 7.8777 7.9137 7.9137 11.9781 11.9781 14.0108 14.0108 14.2281 14.2281 14.2553 14.2553 k = 0.0574-0.0331 0.0468 ( 1251 PWs) bands (ev): -24.4321 -24.4321 -7.3130 -7.3130 -6.7963 -6.7963 -5.7313 -5.7313 -5.6576 -5.6576 7.6933 7.6933 7.8716 7.8716 7.9095 7.9095 12.0285 12.0285 13.9682 13.9682 14.2650 14.2650 14.2922 14.2922 k = 0.0656-0.0379 0.0535 ( 1251 PWs) bands (ev): -24.4305 -24.4305 -7.3489 -7.3489 -6.7810 -6.7810 -5.7350 -5.7350 -5.6404 -5.6404 7.6378 7.6378 7.8655 7.8655 7.9048 7.9048 12.0843 12.0843 13.9201 13.9201 14.3073 14.3073 14.3346 14.3346 k = 0.0738-0.0426 0.0602 ( 1255 PWs) bands (ev): -24.4286 -24.4286 -7.3854 -7.3854 -6.7670 -6.7670 -5.7392 -5.7392 -5.6218 -5.6218 7.5779 7.5779 7.8593 7.8593 7.8997 7.8997 12.1446 12.1446 13.8672 13.8672 14.3549 14.3549 14.3825 14.3825 k = 0.0820-0.0473 0.0669 ( 1255 PWs) bands (ev): -24.4265 -24.4265 -7.4222 -7.4222 -6.7547 -6.7547 -5.7438 -5.7438 -5.6021 -5.6021 7.5146 7.5146 7.8529 7.8529 7.8941 7.8941 12.2088 12.2088 13.8100 13.8100 14.4077 14.4077 14.4355 14.4355 k = 0.0902-0.0521 0.0736 ( 1271 PWs) bands (ev): -24.4242 -24.4242 -7.4589 -7.4589 -6.7439 -6.7439 -5.7489 -5.7489 -5.5816 -5.5816 7.4490 7.4490 7.8462 7.8462 7.8883 7.8883 12.2762 12.2762 13.7489 13.7489 14.4655 14.4655 14.4937 14.4937 k = 0.0984-0.0568 0.0803 ( 1271 PWs) bands (ev): -24.4218 -24.4218 -7.4953 -7.4953 -6.7347 -6.7347 -5.7544 -5.7544 -5.5606 -5.5606 7.3820 7.3820 7.8393 7.8393 7.8822 7.8822 12.3463 12.3463 13.6845 13.6845 14.5282 14.5282 14.5568 14.5568 k = 0.1066-0.0615 0.0870 ( 1271 PWs) bands (ev): -24.4191 -24.4191 -7.5313 -7.5313 -6.7271 -6.7271 -5.7603 -5.7603 -5.5395 -5.5395 7.3144 7.3144 7.8323 7.8323 7.8759 7.8759 12.4186 12.4186 13.6171 13.6171 14.5957 14.5957 14.6247 14.6247 k = 0.1148-0.0663 0.0937 ( 1271 PWs) bands (ev): -24.4163 -24.4163 -7.5666 -7.5666 -6.7210 -6.7210 -5.7666 -5.7666 -5.5187 -5.5187 7.2469 7.2469 7.8252 7.8252 7.8695 7.8695 12.4927 12.4927 13.5473 13.5473 14.6677 14.6677 14.6972 14.6972 k = 0.1230-0.0710 0.1004 ( 1279 PWs) bands (ev): -24.4133 -24.4133 -7.6010 -7.6010 -6.7163 -6.7163 -5.7732 -5.7732 -5.4984 -5.4984 7.1804 7.1804 7.8180 7.8180 7.8631 7.8631 12.5681 12.5681 13.4754 13.4754 14.7441 14.7441 14.7742 14.7742 k = 0.1311-0.0757 0.1071 ( 1275 PWs) bands (ev): -24.4101 -24.4101 -7.6344 -7.6344 -6.7129 -6.7129 -5.7802 -5.7802 -5.4789 -5.4789 7.1153 7.1153 7.8109 7.8109 7.8567 7.8567 12.6447 12.6447 13.4018 13.4018 14.8248 14.8248 14.8555 14.8555 k = 0.1393-0.0805 0.1138 ( 1275 PWs) bands (ev): -24.4068 -24.4068 -7.6667 -7.6667 -6.7107 -6.7107 -5.7876 -5.7876 -5.4606 -5.4606 7.0524 7.0524 7.8038 7.8038 7.8503 7.8503 12.7222 12.7222 13.3270 13.3270 14.9095 14.9095 14.9408 14.9408 k = 0.1475-0.0852 0.1205 ( 1275 PWs) bands (ev): -24.4033 -24.4033 -7.6978 -7.6978 -6.7097 -6.7097 -5.7952 -5.7952 -5.4437 -5.4437 6.9921 6.9921 7.7968 7.7968 7.8441 7.8441 12.8005 12.8005 13.2512 13.2512 14.9980 14.9980 15.0300 15.0300 k = 0.1557-0.0899 0.1272 ( 1283 PWs) bands (ev): -24.3997 -24.3997 -7.7275 -7.7275 -6.7097 -6.7097 -5.8032 -5.8032 -5.4286 -5.4286 6.9349 6.9349 7.7900 7.7900 7.8381 7.8381 12.8793 12.8793 13.1747 13.1747 15.0903 15.0903 15.1229 15.1229 k = 0.1639-0.0946 0.1339 ( 1283 PWs) bands (ev): -24.3960 -24.3960 -7.7558 -7.7558 -6.7107 -6.7107 -5.8114 -5.8114 -5.4154 -5.4154 6.8812 6.8812 7.7835 7.7835 7.8324 7.8324 12.9587 12.9587 13.0979 13.0979 15.1860 15.1860 15.2193 15.2193 k = 0.1721-0.0994 0.1405 ( 1283 PWs) bands (ev): -24.3921 -24.3921 -7.7825 -7.7825 -6.7125 -6.7125 -5.8199 -5.8199 -5.4045 -5.4045 6.8314 6.8314 7.7772 7.7772 7.8269 7.8269 13.0209 13.0209 13.0386 13.0386 15.2850 15.2850 15.3191 15.3191 k = 0.1803-0.1041 0.1472 ( 1295 PWs) bands (ev): -24.3882 -24.3882 -7.8076 -7.8076 -6.7152 -6.7152 -5.8286 -5.8286 -5.3959 -5.3959 6.7857 6.7857 7.7712 7.7712 7.8218 7.8218 12.9441 12.9441 13.1188 13.1188 15.3870 15.3870 15.4219 15.4219 k = 0.1885-0.1088 0.1539 ( 1295 PWs) bands (ev): -24.3841 -24.3841 -7.8310 -7.8310 -6.7186 -6.7186 -5.8375 -5.8375 -5.3899 -5.3899 6.7446 6.7446 7.7656 7.7656 7.8171 7.8171 12.8676 12.8676 13.1995 13.1995 15.4920 15.4920 15.5276 15.5276 k = 0.1967-0.1136 0.1606 ( 1295 PWs) bands (ev): -24.3800 -24.3800 -7.8526 -7.8526 -6.7226 -6.7226 -5.8466 -5.8466 -5.3866 -5.3866 6.7082 6.7082 7.7604 7.7604 7.8127 7.8127 12.7916 12.7916 13.2805 13.2805 15.5995 15.5995 15.6359 15.6359 k = 0.2049-0.1183 0.1673 ( 1295 PWs) bands (ev): -24.3758 -24.3758 -7.8724 -7.8724 -6.7273 -6.7273 -5.8558 -5.8558 -5.3862 -5.3862 6.6767 6.6767 7.7556 7.7556 7.8088 7.8088 12.7164 12.7164 13.3619 13.3619 15.7095 15.7095 15.7467 15.7467 k = 0.2131-0.1230 0.1740 ( 1291 PWs) bands (ev): -24.3716 -24.3716 -7.8904 -7.8904 -6.7324 -6.7324 -5.8652 -5.8652 -5.3888 -5.3888 6.6502 6.6502 7.7513 7.7513 7.8054 7.8054 12.6420 12.6420 13.4437 13.4437 15.8218 15.8218 15.8597 15.8597 k = 0.2213-0.1278 0.1807 ( 1283 PWs) bands (ev): -24.3672 -24.3672 -7.9064 -7.9064 -6.7381 -6.7381 -5.8747 -5.8747 -5.3943 -5.3943 6.6288 6.6288 7.7474 7.7474 7.8024 7.8024 12.5686 12.5686 13.5259 13.5259 15.9359 15.9359 15.9747 15.9747 k = 0.2295-0.1325 0.1874 ( 1283 PWs) bands (ev): -24.3629 -24.3629 -7.9204 -7.9204 -6.7442 -6.7442 -5.8842 -5.8842 -5.4030 -5.4030 6.6126 6.6126 7.7440 7.7440 7.8000 7.8000 12.4964 12.4964 13.6084 13.6084 16.0519 16.0519 16.0914 16.0914 k = 0.2377-0.1372 0.1941 ( 1283 PWs) bands (ev): -24.3585 -24.3585 -7.9325 -7.9325 -6.7508 -6.7508 -5.8938 -5.8938 -5.4147 -5.4147 6.6015 6.6015 7.7411 7.7411 7.7980 7.7980 12.4255 12.4255 13.6914 13.6914 16.1693 16.1693 16.2096 16.2096 k = 0.2459-0.1420 0.2008 ( 1283 PWs) bands (ev): -24.3541 -24.3541 -7.9424 -7.9424 -6.7577 -6.7577 -5.9034 -5.9034 -5.4295 -5.4295 6.5957 6.5957 7.7386 7.7386 7.7964 7.7964 12.3560 12.3560 13.7747 13.7747 16.2880 16.2880 16.3291 16.3291 k = 0.2541-0.1467 0.2075 ( 1283 PWs) bands (ev): -24.3497 -24.3497 -7.9504 -7.9504 -6.7649 -6.7649 -5.9131 -5.9131 -5.4474 -5.4474 6.5949 6.5949 7.7367 7.7367 7.7954 7.7954 12.2880 12.2880 13.8583 13.8583 16.4076 16.4076 16.4495 16.4495 k = 0.2623-0.1514 0.2142 ( 1283 PWs) bands (ev): -24.3454 -24.3454 -7.9562 -7.9562 -6.7724 -6.7724 -5.9227 -5.9227 -5.4684 -5.4684 6.5990 6.5990 7.7352 7.7352 7.7949 7.7949 12.2216 12.2216 13.9422 13.9422 16.5281 16.5281 16.5707 16.5707 k = 0.2705-0.1562 0.2209 ( 1283 PWs) bands (ev): -24.3410 -24.3410 -7.9599 -7.9599 -6.7802 -6.7802 -5.9322 -5.9322 -5.4922 -5.4922 6.6080 6.6080 7.7343 7.7343 7.7948 7.7948 12.1569 12.1569 14.0263 14.0263 16.6490 16.6490 16.6922 16.6922 k = 0.2787-0.1609 0.2275 ( 1283 PWs) bands (ev): -24.3367 -24.3367 -7.9616 -7.9616 -6.7882 -6.7882 -5.9417 -5.9417 -5.5189 -5.5189 6.6217 6.6217 7.7337 7.7337 7.7952 7.7952 12.0939 12.0939 14.1107 14.1107 16.7700 16.7700 16.8139 16.8139 k = 0.2869-0.1656 0.2342 ( 1275 PWs) bands (ev): -24.3324 -24.3324 -7.9611 -7.9611 -6.7964 -6.7964 -5.9511 -5.9511 -5.5482 -5.5482 6.6397 6.6397 7.7336 7.7336 7.7960 7.7960 12.0327 12.0327 14.1951 14.1951 16.8911 16.8911 16.9353 16.9353 k = 0.2951-0.1704 0.2409 ( 1275 PWs) bands (ev): -24.3282 -24.3282 -7.9584 -7.9584 -6.8049 -6.8049 -5.9603 -5.9603 -5.5801 -5.5801 6.6620 6.6620 7.7340 7.7340 7.7972 7.7972 11.9735 11.9735 14.2795 14.2795 17.0117 17.0117 17.0562 17.0562 k = 0.3033-0.1751 0.2476 ( 1267 PWs) bands (ev): -24.3240 -24.3240 -7.9537 -7.9537 -6.8135 -6.8135 -5.9694 -5.9694 -5.6144 -5.6144 6.6882 6.6882 7.7347 7.7347 7.7988 7.7988 11.9162 11.9162 14.3638 14.3638 17.1316 17.1316 17.1758 17.1758 k = 0.3115-0.1798 0.2543 ( 1267 PWs) bands (ev): -24.3199 -24.3199 -7.9469 -7.9469 -6.8224 -6.8224 -5.9783 -5.9783 -5.6509 -5.6509 6.7179 6.7179 7.7358 7.7358 7.8007 7.8007 11.8609 11.8609 14.4477 14.4477 17.2505 17.2505 17.2929 17.2929 k = 0.3197-0.1846 0.2610 ( 1267 PWs) bands (ev): -24.3159 -24.3159 -7.9380 -7.9380 -6.8314 -6.8314 -5.9871 -5.9871 -5.6895 -5.6895 6.7510 6.7510 7.7373 7.7373 7.8030 7.8030 11.8077 11.8077 14.5312 14.5312 17.3682 17.3682 17.4019 17.4019 k = 0.3279-0.1893 0.2677 ( 1266 PWs) bands (ev): -24.3120 -24.3120 -7.9270 -7.9270 -6.8407 -6.8407 -5.9956 -5.9956 -5.7298 -5.7298 6.7869 6.7869 7.7390 7.7390 7.8055 7.8055 11.7566 11.7566 14.6140 14.6140 17.4787 17.4787 17.4841 17.4841 k = 0.3361-0.1940 0.2744 ( 1266 PWs) bands (ev): -24.3082 -24.3082 -7.9140 -7.9140 -6.8502 -6.8502 -6.0039 -6.0039 -5.7716 -5.7716 6.8254 6.8254 7.7411 7.7411 7.8083 7.8083 11.7076 11.7076 14.6960 14.6960 17.5301 17.5301 17.5980 17.5980 k = 0.3443-0.1988 0.2811 ( 1266 PWs) bands (ev): -24.3045 -24.3045 -7.8990 -7.8990 -6.8599 -6.8599 -6.0119 -6.0119 -5.8148 -5.8148 6.8661 6.8661 7.7434 7.7434 7.8112 7.8112 11.6608 11.6608 14.7768 14.7768 17.5760 17.5760 17.7095 17.7095 k = 0.3525-0.2035 0.2878 ( 1266 PWs) bands (ev): -24.3010 -24.3010 -7.8821 -7.8821 -6.8699 -6.8699 -6.0196 -6.0196 -5.8589 -5.8589 6.9084 6.9084 7.7459 7.7459 7.8144 7.8144 11.6162 11.6162 14.8561 14.8561 17.6199 17.6199 17.8181 17.8181 k = 0.3607-0.2082 0.2945 ( 1266 PWs) bands (ev): -24.2976 -24.2976 -7.8633 -7.8633 -6.8803 -6.8803 -6.0271 -6.0271 -5.9038 -5.9038 6.9521 6.9521 7.7485 7.7485 7.8176 7.8176 11.5739 11.5739 14.9337 14.9337 17.6624 17.6624 17.9233 17.9233 k = 0.3689-0.2130 0.3012 ( 1266 PWs) bands (ev): -24.2943 -24.2943 -7.8427 -7.8427 -6.8910 -6.8910 -6.0342 -6.0342 -5.9491 -5.9491 6.9965 6.9965 7.7514 7.7514 7.8210 7.8210 11.5338 11.5338 15.0091 15.0091 17.7034 17.7034 18.0241 18.0241 k = 0.3770-0.2177 0.3079 ( 1266 PWs) bands (ev): -24.2912 -24.2912 -7.8203 -7.8203 -6.9022 -6.9022 -6.0410 -6.0410 -5.9945 -5.9945 7.0414 7.0414 7.7543 7.7543 7.8244 7.8244 11.4961 11.4961 15.0821 15.0821 17.7429 17.7429 18.1180 18.1180 k = 0.3852-0.2224 0.3146 ( 1262 PWs) bands (ev): -24.2883 -24.2883 -7.7964 -7.7964 -6.9139 -6.9139 -6.0474 -6.0474 -6.0397 -6.0397 7.0862 7.0862 7.7573 7.7573 7.8278 7.8278 11.4607 11.4607 15.1522 15.1522 17.7808 17.7808 18.1917 18.1917 k = 0.3934-0.2272 0.3212 ( 1262 PWs) bands (ev): -24.2855 -24.2855 -7.7709 -7.7709 -6.9263 -6.9263 -6.0842 -6.0842 -6.0534 -6.0534 7.1305 7.1305 7.7603 7.7603 7.8312 7.8312 11.4277 11.4277 15.2191 15.2191 17.8170 17.8170 18.2087 18.2087 k = 0.4016-0.2319 0.3279 ( 1258 PWs) bands (ev): -24.2829 -24.2829 -7.7440 -7.7440 -6.9394 -6.9394 -6.1276 -6.1276 -6.0591 -6.0591 7.1737 7.1737 7.7633 7.7633 7.8345 7.8345 11.3970 11.3970 15.2824 15.2824 17.8513 17.8513 18.1979 18.1979 k = 0.4098-0.2366 0.3346 ( 1258 PWs) bands (ev): -24.2804 -24.2804 -7.7160 -7.7160 -6.9533 -6.9533 -6.1697 -6.1697 -6.0644 -6.0644 7.2155 7.2155 7.7663 7.7663 7.8376 7.8376 11.3687 11.3687 15.3415 15.3415 17.8835 17.8835 18.1840 18.1840 k = 0.4180-0.2414 0.3413 ( 1258 PWs) bands (ev): -24.2782 -24.2782 -7.6869 -7.6869 -6.9681 -6.9681 -6.2099 -6.2099 -6.0692 -6.0692 7.2554 7.2554 7.7692 7.7692 7.8407 7.8407 11.3428 11.3428 15.3963 15.3963 17.9135 17.9135 18.1710 18.1710 k = 0.4262-0.2461 0.3480 ( 1266 PWs) bands (ev): -24.2762 -24.2762 -7.6572 -7.6572 -6.9839 -6.9839 -6.2477 -6.2477 -6.0736 -6.0736 7.2929 7.2929 7.7720 7.7720 7.8436 7.8436 11.3194 11.3194 15.4464 15.4464 17.9411 17.9411 18.1601 18.1601 k = 0.4344-0.2508 0.3547 ( 1266 PWs) bands (ev): -24.2744 -24.2744 -7.6269 -7.6269 -7.0007 -7.0007 -6.2829 -6.2829 -6.0776 -6.0776 7.3277 7.3277 7.7747 7.7747 7.8462 7.8462 11.2984 11.2984 15.4915 15.4915 17.9663 17.9663 18.1517 18.1517 k = 0.4426-0.2555 0.3614 ( 1266 PWs) bands (ev): -24.2727 -24.2727 -7.5966 -7.5966 -7.0184 -7.0184 -6.3148 -6.3148 -6.0812 -6.0812 7.3593 7.3593 7.7772 7.7772 7.8486 7.8486 11.2798 11.2798 15.5314 15.5314 17.9888 17.9888 18.1457 18.1457 k = 0.4508-0.2603 0.3681 ( 1266 PWs) bands (ev): -24.2713 -24.2713 -7.5668 -7.5668 -7.0367 -7.0367 -6.3433 -6.3433 -6.0843 -6.0843 7.3874 7.3874 7.7796 7.7796 7.8508 7.8508 11.2637 11.2637 15.5661 15.5661 18.0086 18.0086 18.1419 18.1419 k = 0.4590-0.2650 0.3748 ( 1262 PWs) bands (ev): -24.2701 -24.2701 -7.5382 -7.5382 -7.0553 -7.0553 -6.3678 -6.3678 -6.0869 -6.0869 7.4118 7.4118 7.7816 7.7816 7.8526 7.8526 11.2500 11.2500 15.5953 15.5953 18.0255 18.0255 18.1400 18.1400 k = 0.4672-0.2697 0.3815 ( 1262 PWs) bands (ev): -24.2691 -24.2691 -7.5116 -7.5116 -7.0734 -7.0734 -6.3882 -6.3882 -6.0891 -6.0891 7.4320 7.4320 7.7834 7.7834 7.8542 7.8542 11.2389 11.2389 15.6192 15.6192 18.0395 18.0395 18.1395 18.1395 k = 0.4754-0.2745 0.3882 ( 1262 PWs) bands (ev): -24.2683 -24.2683 -7.4883 -7.4883 -7.0900 -7.0900 -6.4043 -6.4043 -6.0907 -6.0907 7.4480 7.4480 7.7848 7.7848 7.8554 7.8554 11.2302 11.2302 15.6376 15.6376 18.0505 18.0505 18.1399 18.1399 k = 0.4836-0.2792 0.3949 ( 1258 PWs) bands (ev): -24.2678 -24.2678 -7.4698 -7.4698 -7.1037 -7.1037 -6.4159 -6.4159 -6.0919 -6.0919 7.4595 7.4595 7.7859 7.7859 7.8563 7.8563 11.2239 11.2239 15.6508 15.6508 18.0584 18.0584 18.1406 18.1406 k = 0.4918-0.2839 0.4016 ( 1262 PWs) bands (ev): -24.2674 -24.2674 -7.4577 -7.4577 -7.1129 -7.1129 -6.4228 -6.4228 -6.0927 -6.0927 7.4665 7.4665 7.7865 7.7865 7.8568 7.8568 11.2202 11.2202 15.6586 15.6586 18.0631 18.0631 18.1412 18.1412 k = 0.5000-0.2887 0.4082 ( 1266 PWs) bands (ev): -24.2673 -24.2673 -7.4535 -7.4535 -7.1162 -7.1162 -6.4252 -6.4252 -6.0929 -6.0929 7.4688 7.4688 7.7868 7.7868 7.8570 7.8570 11.2190 11.2190 15.6612 15.6612 18.0647 18.0647 18.1414 18.1414 k = 0.5000-0.2887 0.4082 ( 1266 PWs) bands (ev): -24.2673 -24.2673 -7.4535 -7.4535 -7.1162 -7.1162 -6.4252 -6.4252 -6.0929 -6.0929 7.4688 7.4688 7.7868 7.7868 7.8570 7.8570 11.2190 11.2190 15.6612 15.6612 18.0647 18.0647 18.1414 18.1414 k = 0.5000-0.2794 0.4148 ( 1260 PWs) bands (ev): -24.2673 -24.2673 -7.4548 -7.4548 -7.1171 -7.1171 -6.4238 -6.4238 -6.0915 -6.0915 7.4687 7.4687 7.7849 7.7849 7.8551 7.8551 11.2226 11.2226 15.6640 15.6640 18.0668 18.0668 18.1180 18.1180 k = 0.5000-0.2701 0.4214 ( 1256 PWs) bands (ev): -24.2673 -24.2673 -7.4589 -7.4589 -7.1197 -7.1197 -6.4199 -6.4199 -6.0871 -6.0871 7.4682 7.4682 7.7792 7.7792 7.8494 7.8494 11.2336 11.2336 15.6723 15.6723 18.0520 18.0520 18.0751 18.0751 k = 0.5000-0.2607 0.4280 ( 1256 PWs) bands (ev): -24.2673 -24.2673 -7.4657 -7.4657 -7.1237 -7.1237 -6.4138 -6.4138 -6.0797 -6.0797 7.4675 7.4675 7.7693 7.7693 7.8407 7.8407 11.2518 11.2518 15.6860 15.6860 17.9604 17.9604 18.0852 18.0852 k = 0.5000-0.2514 0.4346 ( 1260 PWs) bands (ev): -24.2673 -24.2673 -7.4752 -7.4752 -7.1287 -7.1287 -6.4063 -6.4063 -6.0691 -6.0691 7.4665 7.4665 7.7546 7.7546 7.8296 7.8296 11.2772 11.2772 15.7047 15.7047 17.8502 17.8502 18.1006 18.1006 k = 0.5000-0.2421 0.4412 ( 1264 PWs) bands (ev): -24.2672 -24.2672 -7.4874 -7.4874 -7.1341 -7.1341 -6.3980 -6.3980 -6.0551 -6.0551 7.4652 7.4652 7.7348 7.7348 7.8170 7.8170 11.3096 11.3096 15.7281 15.7281 17.7288 17.7288 18.1204 18.1204 k = 0.5000-0.2328 0.4478 ( 1264 PWs) bands (ev): -24.2672 -24.2672 -7.5021 -7.5021 -7.1394 -7.1394 -6.3898 -6.3898 -6.0377 -6.0377 7.4635 7.4635 7.7096 7.7096 7.8036 7.8036 11.3488 11.3488 15.7559 15.7559 17.6000 17.6000 18.1446 18.1446 k = 0.5000-0.2235 0.4543 ( 1264 PWs) bands (ev): -24.2671 -24.2671 -7.5191 -7.5191 -7.1444 -7.1444 -6.3822 -6.3822 -6.0168 -6.0168 7.4615 7.4615 7.6794 7.6794 7.7897 7.7897 11.3947 11.3947 15.7876 15.7876 17.4661 17.4661 18.1730 18.1730 k = 0.5000-0.2142 0.4609 ( 1264 PWs) bands (ev): -24.2671 -24.2671 -7.5383 -7.5383 -7.1486 -7.1486 -6.3757 -6.3757 -5.9926 -5.9926 7.4591 7.4591 7.6448 7.6448 7.7754 7.7754 11.4470 11.4470 15.8225 15.8225 17.3284 17.3284 18.2057 18.2057 k = 0.5000-0.2049 0.4675 ( 1264 PWs) bands (ev): -24.2670 -24.2670 -7.5591 -7.5591 -7.1520 -7.1520 -6.3705 -6.3705 -5.9654 -5.9654 7.4561 7.4561 7.6065 7.6065 7.7607 7.7607 11.5056 11.5056 15.8601 15.8601 17.1878 17.1878 18.2425 18.2425 k = 0.5000-0.1956 0.4741 ( 1264 PWs) bands (ev): -24.2670 -24.2670 -7.5814 -7.5814 -7.1545 -7.1545 -6.3667 -6.3667 -5.9356 -5.9356 7.4520 7.4520 7.5659 7.5659 7.7457 7.7457 11.5702 11.5702 15.8999 15.8999 17.0449 17.0449 18.2832 18.2832 k = 0.5000-0.1862 0.4807 ( 1264 PWs) bands (ev): -24.2669 -24.2669 -7.6047 -7.6047 -7.1561 -7.1561 -6.3643 -6.3643 -5.9038 -5.9038 7.4453 7.4453 7.5249 7.5249 7.7303 7.7303 11.6405 11.6405 15.9411 15.9411 16.9001 16.9001 18.3275 18.3275 k = 0.5000-0.1769 0.4873 ( 1264 PWs) bands (ev): -24.2668 -24.2668 -7.6286 -7.6286 -7.1568 -7.1568 -6.3631 -6.3631 -5.8704 -5.8704 7.4308 7.4308 7.4896 7.4896 7.7147 7.7147 11.7164 11.7164 15.9834 15.9834 16.7537 16.7537 18.3753 18.3753 k = 0.5000-0.1676 0.4938 ( 1264 PWs) bands (ev): -24.2667 -24.2667 -7.6529 -7.6529 -7.1567 -7.1567 -6.3629 -6.3629 -5.8359 -5.8359 7.3998 7.3998 7.4693 7.4693 7.6989 7.6989 11.7975 11.7975 16.0260 16.0260 16.6061 16.6061 18.4262 18.4262 k = 0.5000-0.1583 0.5004 ( 1262 PWs) bands (ev): -24.2667 -24.2667 -7.6772 -7.6772 -7.1559 -7.1559 -6.3638 -6.3638 -5.8009 -5.8009 7.3565 7.3565 7.4603 7.4603 7.6832 7.6832 11.8837 11.8837 16.0685 16.0685 16.4573 16.4573 18.4798 18.4798 k = 0.5000-0.1490 0.5070 ( 1262 PWs) bands (ev): -24.2666 -24.2666 -7.7012 -7.7012 -7.1546 -7.1546 -6.3653 -6.3653 -5.7657 -5.7657 7.3089 7.3089 7.4553 7.4553 7.6676 7.6676 11.9747 11.9747 16.1104 16.1104 16.3077 16.3077 18.5356 18.5356 k = 0.5000-0.1397 0.5136 ( 1262 PWs) bands (ev): -24.2665 -24.2665 -7.7247 -7.7247 -7.1527 -7.1527 -6.3676 -6.3676 -5.7307 -5.7307 7.2601 7.2601 7.4516 7.4516 7.6522 7.6522 12.0703 12.0703 16.1512 16.1512 16.1574 16.1574 18.5930 18.5930 k = 0.5000-0.1304 0.5202 ( 1262 PWs) bands (ev): -24.2664 -24.2664 -7.7475 -7.7475 -7.1505 -7.1505 -6.3703 -6.3703 -5.6964 -5.6964 7.2113 7.2113 7.4487 7.4487 7.6372 7.6372 12.1703 12.1703 16.0064 16.0064 16.1908 16.1908 18.6515 18.6515 k = 0.5000-0.1211 0.5268 ( 1262 PWs) bands (ev): -24.2663 -24.2663 -7.7694 -7.7694 -7.1480 -7.1480 -6.3733 -6.3733 -5.6631 -5.6631 7.1635 7.1635 7.4462 7.4462 7.6227 7.6227 12.2744 12.2744 15.8550 15.8550 16.2286 16.2286 18.7104 18.7104 k = 0.5000-0.1117 0.5334 ( 1262 PWs) bands (ev): -24.2663 -24.2663 -7.7901 -7.7901 -7.1453 -7.1453 -6.3767 -6.3767 -5.6311 -5.6311 7.1171 7.1171 7.4441 7.4441 7.6087 7.6087 12.3824 12.3824 15.7035 15.7035 16.2644 16.2644 18.7690 18.7690 k = 0.5000-0.1024 0.5399 ( 1256 PWs) bands (ev): -24.2662 -24.2662 -7.8097 -7.8097 -7.1424 -7.1424 -6.3801 -6.3801 -5.6005 -5.6005 7.0727 7.0727 7.4422 7.4422 7.5954 7.5954 12.4942 12.4942 15.5518 15.5518 16.2980 16.2980 18.8265 18.8265 k = 0.5000-0.0931 0.5465 ( 1256 PWs) bands (ev): -24.2661 -24.2661 -7.8279 -7.8279 -7.1395 -7.1395 -6.3836 -6.3836 -5.5718 -5.5718 7.0306 7.0306 7.4406 7.4406 7.5828 7.5828 12.6096 12.6096 15.4002 15.4002 16.3291 16.3291 18.8821 18.8821 k = 0.5000-0.0838 0.5531 ( 1252 PWs) bands (ev): -24.2660 -24.2660 -7.8446 -7.8446 -7.1367 -7.1367 -6.3871 -6.3871 -5.5452 -5.5452 6.9914 6.9914 7.4392 7.4392 7.5711 7.5711 12.7283 12.7283 15.2487 15.2487 16.3577 16.3577 18.9346 18.9346 k = 0.5000-0.0745 0.5597 ( 1252 PWs) bands (ev): -24.2660 -24.2660 -7.8598 -7.8598 -7.1339 -7.1339 -6.3904 -6.3904 -5.5208 -5.5208 6.9554 6.9554 7.4382 7.4382 7.5602 7.5602 12.8502 12.8502 15.0977 15.0977 16.3835 16.3835 18.9722 18.9722 k = 0.5000-0.0652 0.5663 ( 1252 PWs) bands (ev): -24.2659 -24.2659 -7.8734 -7.8734 -7.1313 -7.1313 -6.3935 -6.3935 -5.4988 -5.4988 6.9228 6.9228 7.4373 7.4373 7.5503 7.5503 12.9750 12.9750 14.9471 14.9471 16.4066 16.4066 18.9764 18.9764 k = 0.5000-0.0559 0.5729 ( 1246 PWs) bands (ev): -24.2659 -24.2659 -7.8853 -7.8853 -7.1289 -7.1289 -6.3964 -6.3964 -5.4793 -5.4793 6.8940 6.8940 7.4368 7.4368 7.5415 7.5415 13.1028 13.1028 14.7971 14.7971 16.4267 16.4267 18.9774 18.9774 k = 0.5000-0.0466 0.5794 ( 1244 PWs) bands (ev): -24.2658 -24.2658 -7.8954 -7.8954 -7.1268 -7.1268 -6.3989 -6.3989 -5.4627 -5.4627 6.8692 6.8692 7.4364 7.4364 7.5338 7.5338 13.2331 13.2331 14.6479 14.6479 16.4438 16.4438 18.9781 18.9781 k = 0.5000-0.0372 0.5860 ( 1244 PWs) bands (ev): -24.2658 -24.2658 -7.9038 -7.9038 -7.1250 -7.1250 -6.4010 -6.4010 -5.4489 -5.4489 6.8487 6.8487 7.4363 7.4363 7.5273 7.5273 13.3660 13.3660 14.4997 14.4997 16.4579 16.4579 18.9785 18.9785 k = 0.5000-0.0279 0.5926 ( 1244 PWs) bands (ev): -24.2658 -24.2658 -7.9103 -7.9103 -7.1236 -7.1236 -6.4027 -6.4027 -5.4381 -5.4381 6.8325 6.8325 7.4362 7.4362 7.5222 7.5222 13.5012 13.5012 14.3526 14.3526 16.4689 16.4689 18.9789 18.9789 k = 0.5000-0.0186 0.5992 ( 1244 PWs) bands (ev): -24.2657 -24.2657 -7.9150 -7.9150 -7.1225 -7.1225 -6.4040 -6.4040 -5.4303 -5.4303 6.8208 6.8208 7.4362 7.4362 7.5184 7.5184 13.6386 13.6386 14.2067 14.2067 16.4768 16.4768 18.9791 18.9791 k = 0.5000-0.0093 0.6058 ( 1244 PWs) bands (ev): -24.2657 -24.2657 -7.9178 -7.9178 -7.1219 -7.1219 -6.4048 -6.4048 -5.4256 -5.4256 6.8138 6.8138 7.4363 7.4363 7.5161 7.5161 13.7780 13.7780 14.0622 14.0622 16.4815 16.4815 18.9792 18.9792 k = 0.5000-0.0000 0.6124 ( 1256 PWs) bands (ev): -24.2657 -24.2657 -7.9188 -7.9188 -7.1217 -7.1217 -6.4050 -6.4050 -5.4240 -5.4240 6.8114 6.8114 7.4363 7.4363 7.5153 7.5153 13.9181 13.9181 13.9204 13.9204 16.4831 16.4831 18.9793 18.9793 k = 0.5000-0.0000 0.6124 ( 1256 PWs) bands (ev): -24.2657 -24.2657 -7.9188 -7.9188 -7.1217 -7.1217 -6.4050 -6.4050 -5.4240 -5.4240 6.8114 6.8114 7.4363 7.4363 7.5153 7.5153 13.9181 13.9181 13.9204 13.9204 16.4831 16.4831 18.9793 18.9793 k = 0.4943 0.0098 0.6124 ( 1246 PWs) bands (ev): -24.2657 -24.2657 -7.9192 -7.9192 -7.1213 -7.1213 -6.4042 -6.4042 -5.4245 -5.4245 6.8121 6.8121 7.4358 7.4358 7.5151 7.5151 13.8204 13.8204 14.0201 14.0201 16.4833 16.4833 18.9759 18.9759 k = 0.4886 0.0197 0.6124 ( 1246 PWs) bands (ev): -24.2658 -24.2658 -7.9204 -7.9204 -7.1201 -7.1201 -6.4019 -6.4019 -5.4262 -5.4262 6.8142 6.8142 7.4347 7.4347 7.5143 7.5143 13.7245 13.7245 14.1223 14.1223 16.4839 16.4839 18.9657 18.9657 k = 0.4830 0.0295 0.6124 ( 1246 PWs) bands (ev): -24.2659 -24.2659 -7.9223 -7.9223 -7.1183 -7.1183 -6.3980 -6.3980 -5.4289 -5.4289 6.8176 6.8176 7.4329 7.4329 7.5127 7.5127 13.6318 13.6318 14.2256 14.2256 16.4852 16.4852 18.9484 18.9484 k = 0.4773 0.0394 0.6124 ( 1246 PWs) bands (ev): -24.2661 -24.2661 -7.9249 -7.9249 -7.1159 -7.1159 -6.3925 -6.3925 -5.4328 -5.4328 6.8222 6.8222 7.4308 7.4308 7.5102 7.5102 13.5424 13.5424 14.3298 14.3298 16.4872 16.4872 18.9240 18.9240 k = 0.4716 0.0492 0.6124 ( 1246 PWs) bands (ev): -24.2663 -24.2663 -7.9281 -7.9281 -7.1133 -7.1133 -6.3854 -6.3854 -5.4377 -5.4377 6.8281 6.8281 7.4283 7.4283 7.5069 7.5069 13.4567 13.4567 14.4348 14.4348 16.4900 16.4900 18.8924 18.8924 k = 0.4659 0.0590 0.6124 ( 1246 PWs) bands (ev): -24.2665 -24.2665 -7.9317 -7.9317 -7.1104 -7.1104 -6.3769 -6.3769 -5.4436 -5.4436 6.8350 6.8350 7.4256 7.4256 7.5028 7.5028 13.3748 13.3748 14.5402 14.5402 16.4937 16.4937 18.8540 18.8540 k = 0.4602 0.0689 0.6124 ( 1251 PWs) bands (ev): -24.2667 -24.2667 -7.9357 -7.9357 -7.1074 -7.1074 -6.3670 -6.3670 -5.4504 -5.4504 6.8430 6.8430 7.4225 7.4225 7.4979 7.4979 13.2969 13.2969 14.6456 14.6456 16.4983 16.4983 18.8090 18.8090 k = 0.4545 0.0787 0.6124 ( 1256 PWs) bands (ev): -24.2670 -24.2670 -7.9399 -7.9399 -7.1044 -7.1044 -6.3559 -6.3559 -5.4582 -5.4582 6.8518 6.8518 7.4191 7.4191 7.4924 7.4924 13.2231 13.2231 14.7509 14.7509 16.5039 16.5039 18.7580 18.7580 k = 0.4489 0.0886 0.6124 ( 1256 PWs) bands (ev): -24.2672 -24.2672 -7.9443 -7.9443 -7.1015 -7.1015 -6.3436 -6.3436 -5.4667 -5.4667 6.8614 6.8614 7.4153 7.4153 7.4865 7.4865 13.1537 13.1537 14.8555 14.8555 16.5102 16.5102 18.7016 18.7016 k = 0.4432 0.0984 0.6124 ( 1255 PWs) bands (ev): -24.2675 -24.2675 -7.9487 -7.9487 -7.0988 -7.0988 -6.3305 -6.3305 -5.4759 -5.4759 6.8717 6.8717 7.4110 7.4110 7.4804 7.4804 13.0888 13.0888 14.9590 14.9590 16.5173 16.5173 18.6405 18.6405 k = 0.4375 0.1083 0.6124 ( 1259 PWs) bands (ev): -24.2678 -24.2678 -7.9532 -7.9532 -7.0962 -7.0962 -6.3166 -6.3166 -5.4856 -5.4856 6.8824 6.8824 7.4061 7.4061 7.4744 7.4744 13.0286 13.0286 15.0608 15.0608 16.5249 16.5249 18.5758 18.5758 k = 0.4318 0.1181 0.6124 ( 1259 PWs) bands (ev): -24.2680 -24.2680 -7.9575 -7.9575 -7.0939 -7.0939 -6.3024 -6.3024 -5.4957 -5.4957 6.8935 6.8935 7.4006 7.4006 7.4686 7.4686 12.9731 12.9731 15.1602 15.1602 16.5330 16.5330 18.5086 18.5086 k = 0.4261 0.1279 0.6124 ( 1261 PWs) bands (ev): -24.2683 -24.2683 -7.9616 -7.9616 -7.0919 -7.0919 -6.2879 -6.2879 -5.5060 -5.5060 6.9047 6.9047 7.3945 7.3945 7.4634 7.4634 12.9225 12.9225 15.2564 15.2564 16.5413 16.5413 18.4399 18.4399 k = 0.4205 0.1378 0.6124 ( 1265 PWs) bands (ev): -24.2685 -24.2685 -7.9655 -7.9655 -7.0901 -7.0901 -6.2736 -6.2736 -5.5162 -5.5162 6.9158 6.9158 7.3878 7.3878 7.4588 7.4588 12.8768 12.8768 15.3484 15.3484 16.5496 16.5496 18.3713 18.3713 k = 0.4148 0.1476 0.6124 ( 1267 PWs) bands (ev): -24.2687 -24.2687 -7.9691 -7.9691 -7.0885 -7.0885 -6.2598 -6.2598 -5.5262 -5.5262 6.9265 6.9265 7.3808 7.3808 7.4550 7.4550 12.8363 12.8363 15.4352 15.4352 16.5577 16.5577 18.3041 18.3041 k = 0.4091 0.1575 0.6124 ( 1265 PWs) bands (ev): -24.2689 -24.2689 -7.9723 -7.9723 -7.0872 -7.0872 -6.2469 -6.2469 -5.5357 -5.5357 6.9367 6.9367 7.3737 7.3737 7.4518 7.4518 12.8010 12.8010 15.5153 15.5153 16.5653 16.5653 18.2402 18.2402 k = 0.4034 0.1673 0.6124 ( 1265 PWs) bands (ev): -24.2691 -24.2691 -7.9750 -7.9750 -7.0861 -7.0861 -6.2351 -6.2351 -5.5443 -5.5443 6.9461 6.9461 7.3668 7.3668 7.4492 7.4492 12.7710 12.7710 15.5874 15.5874 16.5722 16.5722 18.1812 18.1812 k = 0.3977 0.1771 0.6124 ( 1265 PWs) bands (ev): -24.2692 -24.2692 -7.9774 -7.9774 -7.0853 -7.0853 -6.2248 -6.2248 -5.5519 -5.5519 6.9542 6.9542 7.3605 7.3605 7.4472 7.4472 12.7463 12.7463 15.6498 15.6498 16.5783 16.5783 18.1292 18.1292 k = 0.3920 0.1870 0.6124 ( 1259 PWs) bands (ev): -24.2693 -24.2693 -7.9792 -7.9792 -7.0846 -7.0846 -6.2165 -6.2165 -5.5581 -5.5581 6.9610 6.9610 7.3551 7.3551 7.4457 7.4457 12.7271 12.7271 15.7008 15.7008 16.5832 16.5832 18.0861 18.0861 k = 0.3864 0.1968 0.6124 ( 1255 PWs) bands (ev): -24.2694 -24.2694 -7.9805 -7.9805 -7.0841 -7.0841 -6.2102 -6.2102 -5.5628 -5.5628 6.9660 6.9660 7.3511 7.3511 7.4447 7.4447 12.7133 12.7133 15.7387 15.7387 16.5868 16.5868 18.0538 18.0538 k = 0.3807 0.2067 0.6124 ( 1256 PWs) bands (ev): -24.2694 -24.2694 -7.9813 -7.9813 -7.0839 -7.0839 -6.2064 -6.2064 -5.5657 -5.5657 6.9692 6.9692 7.3485 7.3485 7.4441 7.4441 12.7050 12.7050 15.7620 15.7620 16.5890 16.5890 18.0336 18.0336 k = 0.3750 0.2165 0.6124 ( 1260 PWs) bands (ev): -24.2694 -24.2694 -7.9816 -7.9816 -7.0838 -7.0838 -6.2051 -6.2051 -5.5666 -5.5666 6.9702 6.9702 7.3476 7.3476 7.4439 7.4439 12.7023 12.7023 15.7699 15.7699 16.5898 16.5898 18.0268 18.0268 k = 0.3750 0.2165 0.6124 ( 1260 PWs) bands (ev): -24.2694 -24.2694 -7.9816 -7.9816 -7.0838 -7.0838 -6.2051 -6.2051 -5.5666 -5.5666 6.9702 6.9702 7.3476 7.3476 7.4439 7.4439 12.7023 12.7023 15.7699 15.7699 16.5898 16.5898 18.0268 18.0268 k = 0.3692 0.2132 0.6030 ( 1258 PWs) bands (ev): -24.2700 -24.2700 -8.0132 -8.0132 -7.0735 -7.0735 -6.1939 -6.1939 -5.5338 -5.5338 6.9171 6.9171 7.3165 7.3165 7.4405 7.4405 12.8213 12.8213 15.6663 15.6663 16.6380 16.6380 17.9487 17.9487 k = 0.3635 0.2098 0.5935 ( 1258 PWs) bands (ev): -24.2707 -24.2707 -8.0439 -8.0439 -7.0628 -7.0628 -6.1825 -6.1825 -5.5015 -5.5015 6.8649 6.8649 7.2853 7.2853 7.4378 7.4378 12.9424 12.9424 15.5648 15.5648 16.6818 16.6818 17.8688 17.8688 k = 0.3577 0.2065 0.5841 ( 1258 PWs) bands (ev): -24.2714 -24.2714 -8.0735 -8.0735 -7.0516 -7.0516 -6.1711 -6.1711 -5.4700 -5.4700 6.8137 6.8137 7.2543 7.2543 7.4357 7.4357 13.0650 13.0650 15.4656 15.4656 16.7205 16.7205 17.7872 17.7872 k = 0.3519 0.2032 0.5747 ( 1254 PWs) bands (ev): -24.2723 -24.2723 -8.1020 -8.1020 -7.0401 -7.0401 -6.1596 -6.1596 -5.4393 -5.4393 6.7638 6.7638 7.2239 7.2239 7.4340 7.4340 13.1888 13.1888 15.3687 15.3687 16.7536 16.7536 17.7042 17.7042 k = 0.3462 0.1999 0.5653 ( 1254 PWs) bands (ev): -24.2732 -24.2732 -8.1293 -8.1293 -7.0283 -7.0283 -6.1480 -6.1480 -5.4095 -5.4095 6.7153 6.7153 7.1941 7.1941 7.4327 7.4327 13.3132 13.3132 15.2741 15.2741 16.7806 16.7806 17.6199 17.6199 k = 0.3404 0.1965 0.5558 ( 1258 PWs) bands (ev): -24.2743 -24.2743 -8.1552 -8.1552 -7.0162 -7.0162 -6.1364 -6.1364 -5.3807 -5.3807 6.6685 6.6685 7.1652 7.1652 7.4319 7.4319 13.4377 13.4377 15.1817 15.1817 16.8014 16.8014 17.5344 17.5344 k = 0.3346 0.1932 0.5464 ( 1274 PWs) bands (ev): -24.2755 -24.2755 -8.1798 -8.1798 -7.0039 -7.0039 -6.1247 -6.1247 -5.3530 -5.3530 6.6236 6.6236 7.1374 7.1374 7.4315 7.4315 13.5617 13.5617 15.0918 15.0918 16.8157 16.8157 17.4480 17.4480 k = 0.3288 0.1899 0.5370 ( 1268 PWs) bands (ev): -24.2768 -24.2768 -8.2029 -8.2029 -6.9913 -6.9913 -6.1129 -6.1129 -5.3264 -5.3264 6.5806 6.5806 7.1107 7.1108 7.4315 7.4315 13.6845 13.6845 15.0043 15.0043 16.8235 16.8235 17.3609 17.3609 k = 0.3231 0.1865 0.5276 ( 1268 PWs) bands (ev): -24.2782 -24.2782 -8.2244 -8.2244 -6.9786 -6.9786 -6.1012 -6.1012 -5.3010 -5.3010 6.5397 6.5397 7.0854 7.0854 7.4320 7.4320 13.8054 13.8054 14.9192 14.9192 16.8251 16.8251 17.2732 17.2732 k = 0.3173 0.1832 0.5182 ( 1264 PWs) bands (ev): -24.2797 -24.2797 -8.2444 -8.2444 -6.9658 -6.9658 -6.0894 -6.0894 -5.2767 -5.2767 6.5011 6.5011 7.0614 7.0614 7.4330 7.4330 13.9237 13.9237 14.8366 14.8366 16.8207 16.8207 17.1851 17.1851 k = 0.3115 0.1799 0.5087 ( 1258 PWs) bands (ev): -24.2814 -24.2814 -8.2628 -8.2628 -6.9528 -6.9528 -6.0776 -6.0776 -5.2538 -5.2538 6.4649 6.4649 7.0390 7.0390 7.4345 7.4345 14.0384 14.0384 14.7565 14.7565 16.8108 16.8108 17.0969 17.0969 k = 0.3058 0.1765 0.4993 ( 1258 PWs) bands (ev): -24.2832 -24.2832 -8.2795 -8.2795 -6.9398 -6.9398 -6.0658 -6.0658 -5.2323 -5.2323 6.4312 6.4312 7.0181 7.0181 7.4366 7.4366 14.1487 14.1487 14.6790 14.6790 16.7958 16.7958 17.0089 17.0089 k = 0.3000 0.1732 0.4899 ( 1256 PWs) bands (ev): -24.2851 -24.2851 -8.2944 -8.2944 -6.9268 -6.9268 -6.0541 -6.0541 -5.2121 -5.2121 6.4002 6.4002 6.9990 6.9990 7.4391 7.4391 14.2536 14.2536 14.6040 14.6040 16.7758 16.7758 16.9220 16.9220 k = 0.2942 0.1699 0.4805 ( 1256 PWs) bands (ev): -24.2872 -24.2872 -8.3076 -8.3076 -6.9137 -6.9137 -6.0424 -6.0424 -5.1934 -5.1934 6.3719 6.3719 6.9816 6.9816 7.4422 7.4422 14.3520 14.3520 14.5316 14.5316 16.7495 16.7495 16.8383 16.8383 k = 0.2885 0.1665 0.4711 ( 1256 PWs) bands (ev): -24.2894 -24.2894 -8.3190 -8.3190 -6.9007 -6.9007 -6.0308 -6.0308 -5.1761 -5.1761 6.3464 6.3464 6.9662 6.9662 7.4459 7.4459 14.4425 14.4425 14.4623 14.4623 16.7074 16.7074 16.7685 16.7685 k = 0.2827 0.1632 0.4616 ( 1262 PWs) bands (ev): -24.2917 -24.2917 -8.3286 -8.3286 -6.8878 -6.8878 -6.0193 -6.0193 -5.1604 -5.1604 6.3238 6.3238 6.9526 6.9526 7.4502 7.4502 14.3947 14.3947 14.5254 14.5254 16.6365 16.6365 16.7264 16.7264 k = 0.2769 0.1599 0.4522 ( 1262 PWs) bands (ev): -24.2942 -24.2942 -8.3363 -8.3363 -6.8750 -6.8750 -6.0078 -6.0078 -5.1461 -5.1461 6.3043 6.3043 6.9411 6.9411 7.4551 7.4551 14.3304 14.3304 14.5980 14.5980 16.5534 16.5534 16.6965 16.6965 k = 0.2712 0.1566 0.4428 ( 1262 PWs) bands (ev): -24.2968 -24.2968 -8.3422 -8.3422 -6.8623 -6.8623 -5.9965 -5.9965 -5.1335 -5.1335 6.2878 6.2878 6.9316 6.9316 7.4605 7.4605 14.2687 14.2687 14.6600 14.6600 16.4679 16.4679 16.6699 16.6699 k = 0.2654 0.1532 0.4334 ( 1268 PWs) bands (ev): -24.2995 -24.2995 -8.3462 -8.3462 -6.8498 -6.8498 -5.9853 -5.9853 -5.1224 -5.1224 6.2744 6.2744 6.9242 6.9242 7.4666 7.4666 14.2098 14.2098 14.7103 14.7103 16.3820 16.3820 16.6452 16.6452 k = 0.2596 0.1499 0.4240 ( 1268 PWs) bands (ev): -24.3024 -24.3024 -8.3483 -8.3483 -6.8375 -6.8375 -5.9743 -5.9743 -5.1130 -5.1130 6.2643 6.2643 6.9189 6.9189 7.4733 7.4733 14.1538 14.1538 14.7485 14.7485 16.2964 16.2964 16.6222 16.6222 k = 0.2538 0.1466 0.4145 ( 1264 PWs) bands (ev): -24.3053 -24.3053 -8.3485 -8.3485 -6.8254 -6.8254 -5.9633 -5.9633 -5.1052 -5.1052 6.2573 6.2573 6.9158 6.9158 7.4806 7.4806 14.1006 14.1006 14.7740 14.7740 16.2114 16.2114 16.6008 16.6008 k = 0.2481 0.1432 0.4051 ( 1264 PWs) bands (ev): -24.3084 -24.3084 -8.3468 -8.3468 -6.8135 -6.8135 -5.9526 -5.9526 -5.0991 -5.0991 6.2536 6.2536 6.9149 6.9149 7.4885 7.4885 14.0502 14.0502 14.7868 14.7868 16.1273 16.1273 16.5809 16.5809 k = 0.2423 0.1399 0.3957 ( 1266 PWs) bands (ev): -24.3117 -24.3117 -8.3431 -8.3431 -6.8020 -6.8020 -5.9421 -5.9421 -5.0946 -5.0946 6.2532 6.2532 6.9161 6.9161 7.4970 7.4970 14.0028 14.0028 14.7871 14.7871 16.0440 16.0440 16.5617 16.5617 k = 0.2365 0.1366 0.3863 ( 1269 PWs) bands (ev): -24.3150 -24.3150 -8.3376 -8.3376 -6.7908 -6.7908 -5.9317 -5.9317 -5.0918 -5.0918 6.2561 6.2561 6.9196 6.9196 7.5061 7.5061 13.9583 13.9583 14.7754 14.7754 15.9618 15.9618 16.5427 16.5427 k = 0.2308 0.1332 0.3768 ( 1269 PWs) bands (ev): -24.3185 -24.3185 -8.3302 -8.3302 -6.7799 -6.7799 -5.9215 -5.9215 -5.0906 -5.0906 6.2624 6.2624 6.9253 6.9253 7.5157 7.5157 13.9167 13.9167 14.7524 14.7524 15.8808 15.8808 16.5228 16.5228 k = 0.2250 0.1299 0.3674 ( 1271 PWs) bands (ev): -24.3220 -24.3220 -8.3209 -8.3209 -6.7693 -6.7693 -5.9116 -5.9116 -5.0911 -5.0911 6.2719 6.2719 6.9332 6.9332 7.5259 7.5259 13.8782 13.8782 14.7191 14.7191 15.8010 15.8010 16.5009 16.5009 k = 0.2192 0.1266 0.3580 ( 1275 PWs) bands (ev): -24.3256 -24.3256 -8.3098 -8.3098 -6.7592 -6.7592 -5.9018 -5.9018 -5.0932 -5.0932 6.2847 6.2847 6.9432 6.9432 7.5366 7.5366 13.8426 13.8426 14.6764 14.6764 15.7225 15.7225 16.4760 16.4760 k = 0.2135 0.1232 0.3486 ( 1275 PWs) bands (ev): -24.3294 -24.3294 -8.2968 -8.2968 -6.7495 -6.7495 -5.8923 -5.8923 -5.0970 -5.0970 6.3008 6.3008 6.9554 6.9554 7.5477 7.5477 13.8102 13.8102 14.6253 14.6253 15.6453 15.6453 16.4471 16.4471 k = 0.2077 0.1199 0.3392 ( 1267 PWs) bands (ev): -24.3332 -24.3332 -8.2820 -8.2820 -6.7402 -6.7402 -5.8830 -5.8830 -5.1024 -5.1024 6.3202 6.3202 6.9697 6.9697 7.5594 7.5594 13.7808 13.7808 14.5669 14.5669 15.5696 15.5696 16.4131 16.4131 k = 0.2019 0.1166 0.3297 ( 1267 PWs) bands (ev): -24.3370 -24.3370 -8.2654 -8.2654 -6.7313 -6.7313 -5.8740 -5.8740 -5.1094 -5.1094 6.3428 6.3428 6.9861 6.9861 7.5714 7.5714 13.7545 13.7545 14.5019 14.5019 15.4954 15.4954 16.3735 16.3735 k = 0.1962 0.1132 0.3203 ( 1267 PWs) bands (ev): -24.3410 -24.3410 -8.2470 -8.2470 -6.7230 -6.7230 -5.8652 -5.8652 -5.1180 -5.1180 6.3686 6.3686 7.0045 7.0045 7.5838 7.5838 13.7313 13.7313 14.4312 14.4312 15.4228 15.4228 16.3275 16.3275 k = 0.1904 0.1099 0.3109 ( 1267 PWs) bands (ev): -24.3450 -24.3450 -8.2269 -8.2269 -6.7152 -6.7152 -5.8566 -5.8566 -5.1280 -5.1280 6.3974 6.3974 7.0248 7.0248 7.5966 7.5966 13.7113 13.7113 14.3554 14.3554 15.3517 15.3517 16.2750 16.2750 k = 0.1846 0.1066 0.3015 ( 1265 PWs) bands (ev): -24.3490 -24.3490 -8.2052 -8.2052 -6.7080 -6.7080 -5.8483 -5.8483 -5.1396 -5.1396 6.4293 6.4293 7.0471 7.0471 7.6097 7.6097 13.6944 13.6944 14.2753 14.2753 15.2824 15.2824 16.2156 16.2156 k = 0.1788 0.1033 0.2921 ( 1265 PWs) bands (ev): -24.3531 -24.3531 -8.1818 -8.1818 -6.7012 -6.7012 -5.8402 -5.8402 -5.1526 -5.1526 6.4642 6.4642 7.0711 7.0711 7.6230 7.6230 13.6806 13.6806 14.1913 14.1913 15.2147 15.2147 16.1497 16.1497 k = 0.1731 0.0999 0.2826 ( 1263 PWs) bands (ev): -24.3572 -24.3572 -8.1568 -8.1568 -6.6951 -6.6951 -5.8324 -5.8324 -5.1670 -5.1670 6.5020 6.5020 7.0969 7.0969 7.6365 7.6365 13.6699 13.6699 14.1041 14.1041 15.1489 15.1489 16.0775 16.0775 k = 0.1673 0.0966 0.2732 ( 1263 PWs) bands (ev): -24.3613 -24.3613 -8.1303 -8.1303 -6.6896 -6.6896 -5.8249 -5.8249 -5.1828 -5.1828 6.5425 6.5425 7.1243 7.1243 7.6501 7.6501 13.6624 13.6624 14.0139 14.0139 15.0848 15.0848 15.9995 15.9995 k = 0.1615 0.0933 0.2638 ( 1267 PWs) bands (ev): -24.3654 -24.3654 -8.1023 -8.1023 -6.6848 -6.6848 -5.8176 -5.8176 -5.1998 -5.1998 6.5857 6.5857 7.1532 7.1532 7.6639 7.6639 13.6579 13.6579 13.9212 13.9212 15.0226 15.0226 15.9165 15.9165 k = 0.1558 0.0899 0.2544 ( 1271 PWs) bands (ev): -24.3695 -24.3695 -8.0728 -8.0728 -6.6806 -6.6806 -5.8106 -5.8106 -5.2180 -5.2180 6.6314 6.6314 7.1835 7.1835 7.6777 7.6777 13.6565 13.6565 13.8265 13.8265 14.9622 14.9622 15.8294 15.8294 k = 0.1500 0.0866 0.2449 ( 1279 PWs) bands (ev): -24.3736 -24.3736 -8.0420 -8.0420 -6.6771 -6.6771 -5.8039 -5.8039 -5.2374 -5.2374 6.6796 6.6796 7.2151 7.2151 7.6915 7.6915 13.6580 13.6580 13.7300 13.7300 14.9038 14.9038 15.7389 15.7389 k = 0.1442 0.0833 0.2355 ( 1279 PWs) bands (ev): -24.3776 -24.3776 -8.0099 -8.0099 -6.6743 -6.6743 -5.7974 -5.7974 -5.2578 -5.2578 6.7300 6.7300 7.2478 7.2478 7.7052 7.7052 13.6319 13.6319 13.6627 13.6627 14.8474 14.8474 15.6461 15.6461 k = 0.1385 0.0799 0.2261 ( 1275 PWs) bands (ev): -24.3816 -24.3816 -7.9766 -7.9766 -6.6723 -6.6723 -5.7911 -5.7911 -5.2791 -5.2791 6.7825 6.7825 7.2815 7.2815 7.7188 7.7188 13.5330 13.5330 13.6699 13.6699 14.7929 14.7929 15.5517 15.5517 k = 0.1327 0.0766 0.2167 ( 1275 PWs) bands (ev): -24.3855 -24.3855 -7.9421 -7.9421 -6.6710 -6.6710 -5.7852 -5.7852 -5.3014 -5.3014 6.8369 6.8369 7.3161 7.3161 7.7323 7.7323 13.4333 13.4333 13.6800 13.6800 14.7404 14.7404 15.4567 15.4567 k = 0.1269 0.0733 0.2073 ( 1275 PWs) bands (ev): -24.3894 -24.3894 -7.9065 -7.9065 -6.6706 -6.6706 -5.7795 -5.7795 -5.3243 -5.3243 6.8931 6.8931 7.3513 7.3513 7.7455 7.7455 13.3331 13.3331 13.6927 13.6927 14.6900 14.6900 15.3619 15.3619 k = 0.1212 0.0699 0.1978 ( 1271 PWs) bands (ev): -24.3932 -24.3932 -7.8700 -7.8700 -6.6711 -6.6711 -5.7740 -5.7740 -5.3479 -5.3479 6.9508 6.9508 7.3871 7.3871 7.7585 7.7585 13.2329 13.2329 13.7079 13.7079 14.6417 14.6417 15.2678 15.2678 k = 0.1154 0.0666 0.1884 ( 1265 PWs) bands (ev): -24.3969 -24.3969 -7.8325 -7.8325 -6.6724 -6.6724 -5.7689 -5.7689 -5.3721 -5.3721 7.0097 7.0097 7.4232 7.4232 7.7712 7.7712 13.1329 13.1329 13.7255 13.7255 14.5955 14.5955 15.1752 15.1752 k = 0.1096 0.0633 0.1790 ( 1271 PWs) bands (ev): -24.4005 -24.4005 -7.7943 -7.7943 -6.6747 -6.6747 -5.7640 -5.7640 -5.3966 -5.3966 7.0697 7.0697 7.4594 7.4594 7.7835 7.7835 13.0335 13.0335 13.7452 13.7452 14.5513 14.5513 15.0845 15.0845 k = 0.1038 0.0600 0.1696 ( 1277 PWs) bands (ev): -24.4040 -24.4040 -7.7553 -7.7553 -6.6781 -6.6781 -5.7593 -5.7593 -5.4214 -5.4214 7.1304 7.1304 7.4956 7.4956 7.7955 7.7955 12.9351 12.9351 13.7668 13.7668 14.5094 14.5094 14.9962 14.9962 k = 0.0981 0.0566 0.1602 ( 1277 PWs) bands (ev): -24.4073 -24.4073 -7.7157 -7.7157 -6.6824 -6.6824 -5.7549 -5.7549 -5.4463 -5.4463 7.1917 7.1917 7.5316 7.5316 7.8070 7.8070 12.8380 12.8380 13.7902 13.7902 14.4695 14.4695 14.9108 14.9108 k = 0.0923 0.0533 0.1507 ( 1277 PWs) bands (ev): -24.4106 -24.4106 -7.6756 -7.6756 -6.6879 -6.6879 -5.7508 -5.7508 -5.4711 -5.4711 7.2530 7.2530 7.5670 7.5670 7.8181 7.8181 12.7426 12.7426 13.8151 13.8151 14.4319 14.4319 14.8287 14.8287 k = 0.0865 0.0500 0.1413 ( 1277 PWs) bands (ev): -24.4137 -24.4137 -7.6351 -7.6351 -6.6946 -6.6946 -5.7469 -5.7469 -5.4957 -5.4957 7.3142 7.3142 7.6018 7.6018 7.8287 7.8287 12.6493 12.6493 13.8412 13.8412 14.3964 14.3964 14.7501 14.7501 k = 0.0808 0.0466 0.1319 ( 1277 PWs) bands (ev): -24.4166 -24.4166 -7.5944 -7.5944 -6.7024 -6.7024 -5.7433 -5.7433 -5.5199 -5.5199 7.3747 7.3747 7.6357 7.6357 7.8388 7.8388 12.5585 12.5585 13.8682 13.8682 14.3632 14.3632 14.6753 14.6753 k = 0.0750 0.0433 0.1225 ( 1277 PWs) bands (ev): -24.4194 -24.4194 -7.5535 -7.5535 -6.7116 -6.7116 -5.7399 -5.7399 -5.5435 -5.5435 7.4343 7.4343 7.6685 7.6685 7.8484 7.8484 12.4707 12.4707 13.8957 13.8957 14.3322 14.3322 14.6046 14.6046 k = 0.0692 0.0400 0.1131 ( 1265 PWs) bands (ev): -24.4220 -24.4220 -7.5127 -7.5127 -6.7220 -6.7220 -5.7368 -5.7368 -5.5664 -5.5664 7.4924 7.4924 7.7000 7.7000 7.8574 7.8574 12.3864 12.3864 13.9235 13.9235 14.3034 14.3034 14.5383 14.5383 k = 0.0635 0.0366 0.1036 ( 1265 PWs) bands (ev): -24.4244 -24.4244 -7.4720 -7.4720 -6.7338 -6.7338 -5.7340 -5.7340 -5.5883 -5.5883 7.5485 7.5485 7.7300 7.7300 7.8660 7.8660 12.3059 12.3059 13.9511 13.9511 14.2768 14.2768 14.4766 14.4766 k = 0.0577 0.0333 0.0942 ( 1261 PWs) bands (ev): -24.4266 -24.4266 -7.4318 -7.4318 -6.7469 -6.7469 -5.7314 -5.7314 -5.6091 -5.6091 7.6020 7.6020 7.7583 7.7583 7.8740 7.8740 12.2299 12.2299 13.9781 13.9781 14.2525 14.2525 14.4196 14.4196 k = 0.0519 0.0300 0.0848 ( 1257 PWs) bands (ev): -24.4287 -24.4287 -7.3921 -7.3921 -6.7613 -6.7613 -5.7290 -5.7290 -5.6285 -5.6285 7.6525 7.6525 7.7846 7.7846 7.8816 7.8816 12.1588 12.1588 14.0041 14.0041 14.2305 14.2305 14.3676 14.3676 k = 0.0462 0.0266 0.0754 ( 1251 PWs) bands (ev): -24.4305 -24.4305 -7.3533 -7.3533 -6.7770 -6.7770 -5.7269 -5.7269 -5.6465 -5.6465 7.6992 7.6992 7.8090 7.8090 7.8887 7.8887 12.0932 12.0932 14.0287 14.0287 14.2106 14.2106 14.3209 14.3209 k = 0.0404 0.0233 0.0659 ( 1251 PWs) bands (ev): -24.4322 -24.4322 -7.3156 -7.3156 -6.7938 -6.7938 -5.7251 -5.7251 -5.6628 -5.6628 7.7413 7.7413 7.8314 7.8314 7.8955 7.8955 12.0336 12.0336 14.0515 14.0515 14.1930 14.1930 14.2796 14.2796 k = 0.0346 0.0200 0.0565 ( 1247 PWs) bands (ev): -24.4336 -24.4336 -7.2795 -7.2795 -6.8114 -6.8114 -5.7235 -5.7235 -5.6773 -5.6773 7.7780 7.7780 7.8518 7.8518 7.9019 7.9019 11.9806 11.9806 14.0720 14.0720 14.1774 14.1774 14.2439 14.2439 k = 0.0288 0.0167 0.0471 ( 1243 PWs) bands (ev): -24.4349 -24.4349 -7.2455 -7.2455 -6.8296 -6.8296 -5.7221 -5.7221 -5.6898 -5.6898 7.8082 7.8082 7.8706 7.8706 7.9079 7.9079 11.9347 11.9347 14.0897 14.0897 14.1638 14.1638 14.2143 14.2143 k = 0.0231 0.0133 0.0377 ( 1243 PWs) bands (ev): -24.4359 -24.4359 -7.2143 -7.2143 -6.8476 -6.8476 -5.7210 -5.7210 -5.7002 -5.7002 7.8314 7.8314 7.8879 7.8879 7.9136 7.9136 11.8964 11.8964 14.1041 14.1041 14.1519 14.1519 14.1914 14.1914 k = 0.0173 0.0100 0.0283 ( 1243 PWs) bands (ev): -24.4366 -24.4366 -7.1871 -7.1871 -6.8645 -6.8645 -5.7201 -5.7201 -5.7084 -5.7084 7.8475 7.8475 7.9032 7.9032 7.9186 7.9186 11.8660 11.8660 14.1146 14.1146 14.1414 14.1414 14.1756 14.1756 k = 0.0115 0.0067 0.0188 ( 1243 PWs) bands (ev): -24.4372 -24.4372 -7.1653 -7.1653 -6.8788 -6.8788 -5.7195 -5.7195 -5.7143 -5.7143 7.8577 7.8577 7.9155 7.9155 7.9225 7.9225 11.8441 11.8441 14.1211 14.1211 14.1327 14.1327 14.1669 14.1669 k = 0.0058 0.0033 0.0094 ( 1243 PWs) bands (ev): -24.4376 -24.4376 -7.1509 -7.1509 -6.8887 -6.8887 -5.7192 -5.7192 -5.7178 -5.7178 7.8633 7.8633 7.9233 7.9233 7.9251 7.9251 11.8308 11.8308 14.1240 14.1240 14.1268 14.1268 14.1633 14.1633 k = 0.0000 0.0000 0.0000 ( 1243 PWs) bands (ev): -24.4377 -24.4377 -7.1458 -7.1458 -6.8923 -6.8923 -5.7190 -5.7190 -5.7190 -5.7190 7.8650 7.8650 7.9260 7.9260 7.9260 7.9260 11.8264 11.8264 14.1247 14.1247 14.1247 14.1247 14.1624 14.1624 k = 0.0000 0.0000 0.0000 ( 1243 PWs) bands (ev): -24.4377 -24.4377 -7.1458 -7.1458 -6.8923 -6.8923 -5.7190 -5.7190 -5.7190 -5.7190 7.8650 7.8650 7.9260 7.9260 7.9260 7.9260 11.8264 11.8264 14.1247 14.1247 14.1247 14.1247 14.1624 14.1624 k = 0.0094 0.0054 0.0039 ( 1243 PWs) bands (ev): -24.4376 -24.4376 -7.1509 -7.1509 -6.8887 -6.8887 -5.7191 -5.7191 -5.7179 -5.7179 7.8633 7.8633 7.9236 7.9236 7.9248 7.9248 11.8308 11.8308 14.1244 14.1244 14.1264 14.1264 14.1632 14.1632 k = 0.0189 0.0109 0.0077 ( 1243 PWs) bands (ev): -24.4372 -24.4372 -7.1654 -7.1654 -6.8788 -6.8788 -5.7193 -5.7193 -5.7145 -5.7145 7.8579 7.8579 7.9165 7.9165 7.9213 7.9213 11.8442 11.8442 14.1228 14.1228 14.1317 14.1317 14.1661 14.1661 k = 0.0283 0.0163 0.0116 ( 1243 PWs) bands (ev): -24.4366 -24.4366 -7.1873 -7.1873 -6.8644 -6.8644 -5.7197 -5.7197 -5.7088 -5.7088 7.8484 7.8484 7.9053 7.9053 7.9154 7.9154 11.8662 11.8662 14.1191 14.1191 14.1403 14.1403 14.1723 14.1723 k = 0.0377 0.0218 0.0154 ( 1243 PWs) bands (ev): -24.4359 -24.4359 -7.2147 -7.2147 -6.8473 -6.8473 -5.7202 -5.7202 -5.7008 -5.7008 7.8342 7.8342 7.8910 7.8910 7.9071 7.9071 11.8968 11.8968 14.1124 14.1124 14.1525 14.1525 14.1825 14.1825 k = 0.0472 0.0272 0.0193 ( 1243 PWs) bands (ev): -24.4348 -24.4348 -7.2462 -7.2462 -6.8291 -6.8291 -5.7209 -5.7209 -5.6908 -5.6908 7.8142 7.8142 7.8748 7.8748 7.8967 7.8967 11.9357 11.9357 14.1031 14.1031 14.1681 14.1681 14.1968 14.1968 k = 0.0566 0.0327 0.0231 ( 1249 PWs) bands (ev): -24.4336 -24.4336 -7.2806 -7.2806 -6.8106 -6.8106 -5.7217 -5.7217 -5.6787 -5.6787 7.7879 7.7879 7.8576 7.8576 7.8840 7.8840 11.9824 11.9824 14.0915 14.0915 14.1870 14.1870 14.2149 14.2149 k = 0.0660 0.0381 0.0270 ( 1249 PWs) bands (ev): -24.4322 -24.4322 -7.3173 -7.3173 -6.7925 -6.7925 -5.7226 -5.7226 -5.6646 -5.6646 7.7557 7.7557 7.8397 7.8397 7.8692 7.8692 12.0366 12.0366 14.0781 14.0781 14.2094 14.2094 14.2367 14.2367 k = 0.0755 0.0436 0.0308 ( 1249 PWs) bands (ev): -24.4305 -24.4305 -7.3557 -7.3557 -6.7751 -6.7751 -5.7237 -5.7237 -5.6487 -5.6487 7.7181 7.7181 7.8209 7.8209 7.8523 7.8523 12.0979 12.0979 14.0633 14.0633 14.2352 14.2352 14.2620 14.2620 k = 0.0849 0.0490 0.0347 ( 1261 PWs) bands (ev): -24.4287 -24.4287 -7.3955 -7.3955 -6.7588 -6.7588 -5.7249 -5.7249 -5.6312 -5.6312 7.6759 7.6759 7.8009 7.8009 7.8336 7.8336 12.1659 12.1659 14.0476 14.0476 14.2642 14.2642 14.2908 14.2908 k = 0.0943 0.0545 0.0385 ( 1261 PWs) bands (ev): -24.4266 -24.4266 -7.4364 -7.4364 -6.7435 -6.7435 -5.7262 -5.7262 -5.6120 -5.6120 7.6297 7.6297 7.7797 7.7797 7.8129 7.8129 12.2400 12.2400 14.0312 14.0312 14.2966 14.2966 14.3230 14.3230 k = 0.1038 0.0599 0.0424 ( 1267 PWs) bands (ev): -24.4244 -24.4244 -7.4781 -7.4781 -6.7294 -6.7294 -5.7277 -5.7277 -5.5915 -5.5915 7.5801 7.5801 7.7570 7.7570 7.7906 7.7906 12.3199 12.3199 14.0146 14.0146 14.3321 14.3321 14.3584 14.3584 k = 0.1132 0.0654 0.0462 ( 1267 PWs) bands (ev): -24.4220 -24.4220 -7.5205 -7.5205 -6.7164 -6.7164 -5.7292 -5.7292 -5.5696 -5.5696 7.5276 7.5276 7.7331 7.7331 7.7667 7.7667 12.4051 12.4051 13.9982 13.9982 14.3708 14.3708 14.3971 14.3971 k = 0.1226 0.0708 0.0501 ( 1267 PWs) bands (ev): -24.4194 -24.4194 -7.5633 -7.5633 -6.7046 -6.7046 -5.7309 -5.7309 -5.5467 -5.5467 7.4727 7.4727 7.7079 7.7079 7.7413 7.7413 12.4952 12.4952 13.9823 13.9823 14.4127 14.4127 14.4389 14.4389 k = 0.1321 0.0763 0.0539 ( 1273 PWs) bands (ev): -24.4166 -24.4166 -7.6065 -7.6065 -6.6939 -6.6939 -5.7327 -5.7327 -5.5229 -5.5229 7.4158 7.4158 7.6814 7.6814 7.7145 7.7145 12.5898 12.5898 13.9672 13.9672 14.4575 14.4575 14.4838 14.4838 k = 0.1415 0.0817 0.0578 ( 1279 PWs) bands (ev): -24.4137 -24.4137 -7.6499 -7.6499 -6.6843 -6.6843 -5.7346 -5.7346 -5.4982 -5.4982 7.3571 7.3571 7.6539 7.6539 7.6866 7.6866 12.6885 12.6885 13.9532 13.9532 14.5054 14.5054 14.5317 14.5317 k = 0.1509 0.0871 0.0616 ( 1278 PWs) bands (ev): -24.4106 -24.4106 -7.6934 -7.6934 -6.6757 -6.6757 -5.7365 -5.7365 -5.4729 -5.4729 7.2972 7.2972 7.6253 7.6253 7.6576 7.6576 12.7908 12.7908 13.9406 13.9406 14.5561 14.5561 14.5826 14.5826 k = 0.1604 0.0926 0.0655 ( 1278 PWs) bands (ev): -24.4074 -24.4074 -7.7369 -7.7369 -6.6680 -6.6680 -5.7386 -5.7386 -5.4471 -5.4471 7.2362 7.2362 7.5959 7.5959 7.6276 7.6276 12.8964 12.8964 13.9298 13.9298 14.6096 14.6096 14.6362 14.6362 k = 0.1698 0.0980 0.0693 ( 1278 PWs) bands (ev): -24.4041 -24.4041 -7.7802 -7.7802 -6.6611 -6.6611 -5.7407 -5.7407 -5.4210 -5.4210 7.1745 7.1745 7.5658 7.5658 7.5968 7.5968 13.0049 13.0049 13.9208 13.9208 14.6658 14.6658 14.6926 14.6926 k = 0.1792 0.1035 0.0732 ( 1278 PWs) bands (ev): -24.4006 -24.4006 -7.8234 -7.8234 -6.6551 -6.6551 -5.7429 -5.7429 -5.3946 -5.3946 7.1123 7.1123 7.5350 7.5350 7.5654 7.5654 13.1159 13.1159 13.9141 13.9141 14.7246 14.7246 14.7517 14.7517 k = 0.1887 0.1089 0.0770 ( 1272 PWs) bands (ev): -24.3971 -24.3971 -7.8662 -7.8662 -6.6498 -6.6498 -5.7452 -5.7452 -5.3681 -5.3681 7.0498 7.0498 7.5037 7.5037 7.5334 7.5334 13.2289 13.2289 13.9100 13.9100 14.7859 14.7859 14.8132 14.8132 k = 0.1981 0.1144 0.0809 ( 1272 PWs) bands (ev): -24.3934 -24.3934 -7.9086 -7.9086 -6.6452 -6.6452 -5.7475 -5.7475 -5.3416 -5.3416 6.9873 6.9873 7.4720 7.4720 7.5010 7.5010 13.3434 13.3434 13.9086 13.9086 14.8495 14.8495 14.8771 14.8771 k = 0.2075 0.1198 0.0847 ( 1266 PWs) bands (ev): -24.3897 -24.3897 -7.9505 -7.9505 -6.6412 -6.6412 -5.7498 -5.7498 -5.3151 -5.3151 6.9251 6.9251 7.4400 7.4400 7.4683 7.4683 13.4586 13.4586 13.9108 13.9108 14.9154 14.9154 14.9433 14.9433 k = 0.2170 0.1253 0.0886 ( 1272 PWs) bands (ev): -24.3859 -24.3859 -7.9919 -7.9919 -6.6378 -6.6378 -5.7522 -5.7522 -5.2889 -5.2889 6.8632 6.8632 7.4079 7.4079 7.4354 7.4354 13.5730 13.5730 13.9176 13.9176 14.9833 14.9833 15.0116 15.0116 k = 0.2264 0.1307 0.0924 ( 1272 PWs) bands (ev): -24.3821 -24.3821 -8.0327 -8.0327 -6.6348 -6.6348 -5.7546 -5.7546 -5.2630 -5.2630 6.8018 6.8018 7.3757 7.3757 7.4026 7.4026 13.6836 13.6836 13.9319 13.9319 15.0531 15.0531 15.0819 15.0819 k = 0.2358 0.1362 0.0963 ( 1266 PWs) bands (ev): -24.3782 -24.3782 -8.0727 -8.0727 -6.6323 -6.6323 -5.7570 -5.7570 -5.2374 -5.2374 6.7412 6.7412 7.3437 7.3437 7.3698 7.3698 13.7816 13.7816 13.9622 13.9622 15.1246 15.1246 15.1539 15.1539 k = 0.2453 0.1416 0.1001 ( 1278 PWs) bands (ev): -24.3743 -24.3743 -8.1120 -8.1120 -6.6302 -6.6302 -5.7594 -5.7594 -5.2122 -5.2122 6.6815 6.6815 7.3118 7.3118 7.3371 7.3371 13.8503 13.8503 14.0248 14.0248 15.1977 15.1977 15.2275 15.2275 k = 0.2547 0.1471 0.1040 ( 1272 PWs) bands (ev): -24.3704 -24.3704 -8.1504 -8.1504 -6.6285 -6.6285 -5.7619 -5.7619 -5.1876 -5.1876 6.6228 6.6228 7.2802 7.2802 7.3048 7.3048 13.8884 13.8884 14.1207 14.1207 15.2722 15.2722 15.3026 15.3026 k = 0.2642 0.1525 0.1078 ( 1275 PWs) bands (ev): -24.3665 -24.3665 -8.1879 -8.1879 -6.6271 -6.6271 -5.7643 -5.7643 -5.1635 -5.1635 6.5652 6.5652 7.2490 7.2490 7.2729 7.2729 13.9134 13.9134 14.2321 14.2321 15.3477 15.3477 15.3788 15.3788 k = 0.2736 0.1580 0.1117 ( 1275 PWs) bands (ev): -24.3626 -24.3626 -8.2244 -8.2244 -6.6260 -6.6260 -5.7667 -5.7667 -5.1400 -5.1400 6.5090 6.5090 7.2182 7.2182 7.2415 7.2415 13.9348 13.9348 14.3491 14.3491 15.4242 15.4242 15.4559 15.4559 k = 0.2830 0.1634 0.1155 ( 1266 PWs) bands (ev): -24.3587 -24.3587 -8.2599 -8.2599 -6.6251 -6.6251 -5.7691 -5.7691 -5.1172 -5.1172 6.4541 6.4541 7.1881 7.1881 7.2107 7.2107 13.9558 13.9558 14.4680 14.4680 15.5013 15.5013 15.5338 15.5338 k = 0.2925 0.1688 0.1194 ( 1272 PWs) bands (ev): -24.3549 -24.3549 -8.2943 -8.2943 -6.6245 -6.6245 -5.7714 -5.7714 -5.0951 -5.0951 6.4008 6.4008 7.1586 7.1586 7.1806 7.1806 13.9775 13.9775 14.5872 14.5872 15.5788 15.5788 15.6121 15.6121 k = 0.3019 0.1743 0.1232 ( 1272 PWs) bands (ev): -24.3511 -24.3511 -8.3276 -8.3276 -6.6241 -6.6241 -5.7737 -5.7737 -5.0738 -5.0738 6.3492 6.3492 7.1299 7.1299 7.1512 7.1512 14.0003 14.0003 14.7059 14.7059 15.6564 15.6564 15.6905 15.6905 k = 0.3113 0.1797 0.1271 ( 1272 PWs) bands (ev): -24.3474 -24.3474 -8.3597 -8.3597 -6.6238 -6.6238 -5.7760 -5.7760 -5.0533 -5.0533 6.2993 6.2993 7.1020 7.1020 7.1227 7.1227 14.0243 14.0243 14.8234 14.8234 15.7337 15.7337 15.7688 15.7688 k = 0.3208 0.1852 0.1309 ( 1272 PWs) bands (ev): -24.3438 -24.3438 -8.3906 -8.3906 -6.6237 -6.6237 -5.7782 -5.7782 -5.0335 -5.0335 6.2512 6.2512 7.0751 7.0751 7.0951 7.0951 14.0495 14.0495 14.9392 14.9392 15.8106 15.8106 15.8466 15.8466 k = 0.3302 0.1906 0.1348 ( 1272 PWs) bands (ev): -24.3403 -24.3403 -8.4201 -8.4201 -6.6237 -6.6237 -5.7803 -5.7803 -5.0147 -5.0147 6.2051 6.2051 7.0491 7.0491 7.0685 7.0685 14.0758 14.0758 15.0528 15.0528 15.8866 15.8866 15.9236 15.9236 k = 0.3396 0.1961 0.1387 ( 1272 PWs) bands (ev): -24.3369 -24.3369 -8.4484 -8.4484 -6.6238 -6.6238 -5.7824 -5.7824 -4.9967 -4.9967 6.1610 6.1610 7.0241 7.0241 7.0430 7.0430 14.1029 14.1029 15.1638 15.1638 15.9614 15.9614 15.9994 15.9994 k = 0.3491 0.2015 0.1425 ( 1272 PWs) bands (ev): -24.3336 -24.3336 -8.4752 -8.4752 -6.6240 -6.6240 -5.7844 -5.7844 -4.9796 -4.9796 6.1189 6.1189 7.0003 7.0003 7.0187 7.0187 14.1306 14.1306 15.2718 15.2718 16.0346 16.0346 16.0737 16.0737 k = 0.3585 0.2070 0.1464 ( 1272 PWs) bands (ev): -24.3305 -24.3305 -8.5006 -8.5006 -6.6243 -6.6243 -5.7863 -5.7863 -4.9635 -4.9635 6.0791 6.0791 6.9776 6.9776 6.9955 6.9955 14.1588 14.1588 15.3762 15.3762 16.1060 16.1060 16.1461 16.1461 k = 0.3679 0.2124 0.1502 ( 1272 PWs) bands (ev): -24.3275 -24.3275 -8.5246 -8.5246 -6.6246 -6.6246 -5.7881 -5.7881 -4.9483 -4.9483 6.0415 6.0415 6.9561 6.9561 6.9735 6.9735 14.1871 14.1871 15.4767 15.4767 16.1750 16.1750 16.2162 16.2162 k = 0.3774 0.2179 0.1541 ( 1260 PWs) bands (ev): -24.3246 -24.3246 -8.5471 -8.5471 -6.6249 -6.6249 -5.7898 -5.7898 -4.9341 -4.9341 6.0062 6.0062 6.9359 6.9359 6.9529 6.9529 14.2153 14.2153 15.5729 15.5729 16.2413 16.2413 16.2836 16.2836 k = 0.3868 0.2233 0.1579 ( 1260 PWs) bands (ev): -24.3219 -24.3219 -8.5680 -8.5680 -6.6253 -6.6253 -5.7914 -5.7914 -4.9209 -4.9209 5.9733 5.9733 6.9171 6.9171 6.9336 6.9336 14.2431 14.2431 15.6642 15.6642 16.3046 16.3046 16.3479 16.3479 k = 0.3962 0.2288 0.1618 ( 1263 PWs) bands (ev): -24.3194 -24.3194 -8.5874 -8.5874 -6.6257 -6.6257 -5.7929 -5.7929 -4.9087 -4.9087 5.9428 5.9428 6.8995 6.8995 6.9157 6.9157 14.2701 14.2701 15.7502 15.7502 16.3645 16.3645 16.4087 16.4087 k = 0.4057 0.2342 0.1656 ( 1254 PWs) bands (ev): -24.3171 -24.3171 -8.6052 -8.6052 -6.6261 -6.6261 -5.7943 -5.7943 -4.8975 -4.8975 5.9148 5.9148 6.8834 6.8834 6.8992 6.8992 14.2962 14.2962 15.8305 15.8305 16.4205 16.4205 16.4657 16.4657 k = 0.4151 0.2397 0.1695 ( 1254 PWs) bands (ev): -24.3149 -24.3149 -8.6214 -8.6214 -6.6265 -6.6265 -5.7956 -5.7956 -4.8874 -4.8874 5.8893 5.8893 6.8687 6.8687 6.8842 6.8842 14.3208 14.3208 15.9047 15.9047 16.4724 16.4724 16.5185 16.5185 k = 0.4245 0.2451 0.1733 ( 1254 PWs) bands (ev): -24.3130 -24.3130 -8.6359 -8.6359 -6.6268 -6.6268 -5.7967 -5.7967 -4.8783 -4.8783 5.8664 5.8664 6.8555 6.8555 6.8707 6.8707 14.3439 14.3439 15.9723 15.9723 16.5198 16.5198 16.5667 16.5667 k = 0.4340 0.2505 0.1772 ( 1254 PWs) bands (ev): -24.3113 -24.3113 -8.6488 -8.6488 -6.6272 -6.6272 -5.7977 -5.7977 -4.8702 -4.8702 5.8460 5.8460 6.8437 6.8437 6.8587 6.8587 14.3650 14.3650 16.0330 16.0330 16.5624 16.5624 16.6101 16.6101 k = 0.4434 0.2560 0.1810 ( 1254 PWs) bands (ev): -24.3098 -24.3098 -8.6600 -8.6600 -6.6275 -6.6275 -5.7986 -5.7986 -4.8632 -4.8632 5.8284 5.8284 6.8335 6.8335 6.8483 6.8483 14.3840 14.3840 16.0864 16.0864 16.6000 16.6000 16.6483 16.6483 k = 0.4528 0.2614 0.1849 ( 1248 PWs) bands (ev): -24.3085 -24.3085 -8.6695 -8.6695 -6.6277 -6.6277 -5.7994 -5.7994 -4.8573 -4.8573 5.8134 5.8134 6.8248 6.8248 6.8394 6.8394 14.4005 14.4005 16.1322 16.1322 16.6322 16.6322 16.6811 16.6811 k = 0.4623 0.2669 0.1887 ( 1248 PWs) bands (ev): -24.3075 -24.3075 -8.6773 -8.6773 -6.6280 -6.6280 -5.8000 -5.8000 -4.8524 -4.8524 5.8011 5.8011 6.8177 6.8177 6.8321 6.8321 14.4143 14.4143 16.1700 16.1700 16.6588 16.6588 16.7082 16.7082 k = 0.4717 0.2723 0.1926 ( 1248 PWs) bands (ev): -24.3066 -24.3066 -8.6834 -8.6834 -6.6281 -6.6281 -5.8005 -5.8005 -4.8486 -4.8486 5.7915 5.7915 6.8121 6.8121 6.8264 6.8264 14.4253 14.4253 16.1997 16.1997 16.6797 16.6797 16.7295 16.7295 k = 0.4811 0.2778 0.1964 ( 1254 PWs) bands (ev): -24.3061 -24.3061 -8.6878 -8.6878 -6.6283 -6.6283 -5.8009 -5.8009 -4.8459 -4.8459 5.7846 5.7846 6.8081 6.8081 6.8223 6.8223 14.4332 14.4332 16.2211 16.2211 16.6948 16.6948 16.7448 16.7448 k = 0.4906 0.2832 0.2003 ( 1260 PWs) bands (ev): -24.3057 -24.3057 -8.6904 -8.6904 -6.6284 -6.6284 -5.8011 -5.8011 -4.8443 -4.8443 5.7805 5.7805 6.8057 6.8057 6.8199 6.8199 14.4380 14.4380 16.2340 16.2340 16.7039 16.7039 16.7541 16.7541 k = 0.5000 0.2887 0.2041 ( 1260 PWs) bands (ev): -24.3056 -24.3056 -8.6913 -8.6913 -6.6284 -6.6284 -5.8012 -5.8012 -4.8437 -4.8437 5.7791 5.7791 6.8049 6.8049 6.8191 6.8191 14.4396 14.4396 16.2383 16.2383 16.7069 16.7069 16.7572 16.7572 k = 0.5000 0.2887 0.2041 ( 1260 PWs) bands (ev): -24.3056 -24.3056 -8.6913 -8.6913 -6.6284 -6.6284 -5.8012 -5.8012 -4.8437 -4.8437 5.7791 5.7791 6.8049 6.8049 6.8191 6.8191 14.4396 14.4396 16.2383 16.2383 16.7069 16.7069 16.7572 16.7572 k = 0.5033 0.2792 0.2095 ( 1260 PWs) bands (ev): -24.3055 -24.3055 -8.6906 -8.6906 -6.6288 -6.6288 -5.8017 -5.8017 -4.8447 -4.8447 5.7807 5.7807 6.8057 6.8057 6.8198 6.8198 14.4394 14.4394 16.2215 16.2215 16.7141 16.7141 16.7657 16.7657 k = 0.5066 0.2697 0.2149 ( 1254 PWs) bands (ev): -24.3054 -24.3054 -8.6886 -8.6886 -6.6302 -6.6302 -5.8033 -5.8033 -4.8474 -4.8474 5.7855 5.7855 6.8078 6.8078 6.8219 6.8219 14.4389 14.4389 16.1764 16.1764 16.7260 16.7260 16.7961 16.7961 k = 0.5099 0.2602 0.2202 ( 1251 PWs) bands (ev): -24.3051 -24.3051 -8.6852 -8.6852 -6.6325 -6.6325 -5.8059 -5.8059 -4.8521 -4.8521 5.7935 5.7935 6.8113 6.8113 6.8254 6.8254 14.4379 14.4379 16.1128 16.1128 16.7351 16.7351 16.8457 16.8457 k = 0.5132 0.2507 0.2256 ( 1251 PWs) bands (ev): -24.3048 -24.3048 -8.6806 -8.6806 -6.6357 -6.6357 -5.8096 -5.8096 -4.8585 -4.8585 5.8046 5.8046 6.8161 6.8161 6.8305 6.8305 14.4364 14.4364 16.0384 16.0384 16.7434 16.7434 16.9047 16.9047 k = 0.5164 0.2412 0.2310 ( 1250 PWs) bands (ev): -24.3043 -24.3043 -8.6746 -8.6746 -6.6398 -6.6398 -5.8142 -5.8142 -4.8667 -4.8667 5.8188 5.8188 6.8219 6.8219 6.8372 6.8372 14.4344 14.4344 15.9578 15.9578 16.7526 16.7526 16.9664 16.9664 k = 0.5197 0.2317 0.2364 ( 1250 PWs) bands (ev): -24.3038 -24.3038 -8.6673 -8.6673 -6.6448 -6.6448 -5.8199 -5.8199 -4.8766 -4.8766 5.8359 5.8359 6.8288 6.8288 6.8457 6.8457 14.4318 14.4318 15.8739 15.8739 16.7633 16.7633 17.0274 17.0274 k = 0.5230 0.2222 0.2417 ( 1250 PWs) bands (ev): -24.3032 -24.3032 -8.6587 -8.6587 -6.6507 -6.6507 -5.8266 -5.8266 -4.8881 -4.8881 5.8559 5.8559 6.8365 6.8365 6.8559 6.8559 14.4283 14.4283 15.7886 15.7886 16.7756 16.7756 17.0854 17.0854 k = 0.5263 0.2127 0.2471 ( 1248 PWs) bands (ev): -24.3024 -24.3024 -8.6488 -8.6488 -6.6575 -6.6575 -5.8342 -5.8342 -4.9013 -4.9013 5.8786 5.8786 6.8451 6.8451 6.8678 6.8678 14.4238 14.4238 15.7030 15.7030 16.7898 16.7898 17.1388 17.1388 k = 0.5296 0.2032 0.2525 ( 1250 PWs) bands (ev): -24.3016 -24.3016 -8.6376 -8.6376 -6.6652 -6.6652 -5.8427 -5.8427 -4.9159 -4.9159 5.9038 5.9038 6.8545 6.8545 6.8814 6.8814 14.4179 14.4179 15.6182 15.6182 16.8058 16.8058 17.1865 17.1865 k = 0.5329 0.1937 0.2578 ( 1253 PWs) bands (ev): -24.3007 -24.3007 -8.6252 -8.6252 -6.6737 -6.6737 -5.8520 -5.8520 -4.9319 -4.9319 5.9315 5.9315 6.8648 6.8648 6.8965 6.8965 14.4103 14.4103 15.5354 15.5354 16.8238 16.8238 17.2275 17.2275 k = 0.5362 0.1842 0.2632 ( 1251 PWs) bands (ev): -24.2998 -24.2998 -8.6115 -8.6115 -6.6831 -6.6831 -5.8622 -5.8622 -4.9493 -4.9493 5.9614 5.9614 6.8759 6.8759 6.9132 6.9132 14.4003 14.4003 15.4555 15.4555 16.8437 16.8437 17.2612 17.2612 k = 0.5395 0.1747 0.2686 ( 1255 PWs) bands (ev): -24.2987 -24.2987 -8.5967 -8.5967 -6.6934 -6.6934 -5.8732 -5.8732 -4.9678 -4.9678 5.9933 5.9933 6.8879 6.8879 6.9313 6.9313 14.3872 14.3872 15.3796 15.3796 16.8656 16.8656 17.2873 17.2873 k = 0.5428 0.1652 0.2740 ( 1255 PWs) bands (ev): -24.2976 -24.2976 -8.5806 -8.5806 -6.7046 -6.7046 -5.8848 -5.8848 -4.9875 -4.9875 6.0271 6.0271 6.9006 6.9006 6.9507 6.9507 14.3701 14.3701 15.3089 15.3089 16.8895 16.8895 17.3056 17.3056 k = 0.5461 0.1557 0.2793 ( 1255 PWs) bands (ev): -24.2965 -24.2965 -8.5634 -8.5634 -6.7165 -6.7165 -5.8971 -5.8971 -5.0082 -5.0082 6.0625 6.0625 6.9141 6.9141 6.9713 6.9713 14.3481 14.3481 15.2448 15.2448 16.9154 16.9154 17.3162 17.3162 k = 0.5493 0.1462 0.2847 ( 1255 PWs) bands (ev): -24.2952 -24.2952 -8.5451 -8.5451 -6.7292 -6.7292 -5.9100 -5.9100 -5.0298 -5.0298 6.0994 6.0994 6.9283 6.9283 6.9931 6.9931 14.3201 14.3201 15.1886 15.1886 16.9434 16.9434 17.3192 17.3192 k = 0.5526 0.1367 0.2901 ( 1257 PWs) bands (ev): -24.2940 -24.2940 -8.5257 -8.5257 -6.7427 -6.7427 -5.9235 -5.9235 -5.0522 -5.0522 6.1375 6.1375 6.9432 6.9432 7.0158 7.0158 14.2851 14.2851 15.1414 15.1414 16.9734 16.9734 17.3152 17.3152 k = 0.5559 0.1272 0.2954 ( 1257 PWs) bands (ev): -24.2927 -24.2927 -8.5053 -8.5053 -6.7570 -6.7570 -5.9374 -5.9374 -5.0752 -5.0752 6.1766 6.1766 6.9587 6.9587 7.0395 7.0395 14.2428 14.2428 15.1041 15.1041 17.0053 17.0053 17.3049 17.3049 k = 0.5592 0.1177 0.3008 ( 1257 PWs) bands (ev): -24.2913 -24.2913 -8.4838 -8.4838 -6.7720 -6.7720 -5.9516 -5.9516 -5.0989 -5.0989 6.2165 6.2165 6.9748 6.9748 7.0639 7.0639 14.1929 14.1929 15.0769 15.0769 17.0392 17.0392 17.2888 17.2888 k = 0.5625 0.1083 0.3062 ( 1251 PWs) bands (ev): -24.2899 -24.2899 -8.4614 -8.4614 -6.7876 -6.7876 -5.9662 -5.9662 -5.1230 -5.1230 6.2571 6.2571 6.9914 6.9914 7.0890 7.0890 14.1360 14.1360 15.0595 15.0595 17.0748 17.0748 17.2681 17.2681 k = 0.5658 0.0988 0.3116 ( 1251 PWs) bands (ev): -24.2885 -24.2885 -8.4381 -8.4381 -6.8038 -6.8038 -5.9810 -5.9810 -5.1476 -5.1476 6.2980 6.2980 7.0086 7.0086 7.1146 7.1146 14.0728 14.0728 15.0515 15.0515 17.1113 17.1113 17.2441 17.2441 k = 0.5691 0.0893 0.3169 ( 1255 PWs) bands (ev): -24.2871 -24.2871 -8.4140 -8.4140 -6.8206 -6.8206 -5.9960 -5.9960 -5.1724 -5.1724 6.3393 6.3393 7.0262 7.0262 7.1405 7.1405 14.0044 14.0044 15.0519 15.0519 17.1455 17.1455 17.2208 17.2208 k = 0.5724 0.0798 0.3223 ( 1258 PWs) bands (ev): -24.2857 -24.2857 -8.3891 -8.3891 -6.8379 -6.8379 -6.0111 -6.0111 -5.1974 -5.1974 6.3805 6.3805 7.0442 7.0442 7.1665 7.1665 13.9319 13.9319 15.0598 15.0598 17.1570 17.1570 17.2192 17.2192 k = 0.5757 0.0703 0.3277 ( 1256 PWs) bands (ev): -24.2843 -24.2843 -8.3636 -8.3636 -6.8556 -6.8556 -6.0262 -6.0262 -5.2225 -5.2225 6.4218 6.4218 7.0625 7.0625 7.1924 7.1924 13.8562 13.8562 15.0744 15.0744 17.1330 17.1330 17.2527 17.2527 k = 0.5789 0.0608 0.3330 ( 1260 PWs) bands (ev): -24.2830 -24.2830 -8.3374 -8.3374 -6.8737 -6.8737 -6.0412 -6.0412 -5.2476 -5.2476 6.4628 6.4628 7.0812 7.0812 7.2182 7.2182 13.7782 13.7782 15.0949 15.0949 17.0991 17.0991 17.2963 17.2963 k = 0.5822 0.0513 0.3384 ( 1260 PWs) bands (ev): -24.2816 -24.2816 -8.3107 -8.3107 -6.8919 -6.8919 -6.0561 -6.0561 -5.2727 -5.2727 6.5034 6.5034 7.1001 7.1001 7.2435 7.2435 13.6987 13.6987 15.1208 15.1208 17.0622 17.0622 17.3433 17.3433 k = 0.5855 0.0418 0.3438 ( 1260 PWs) bands (ev): -24.2803 -24.2803 -8.2836 -8.2836 -6.9103 -6.9103 -6.0707 -6.0707 -5.2976 -5.2976 6.5436 6.5436 7.1192 7.1192 7.2681 7.2681 13.6183 13.6183 15.1515 15.1515 17.0239 17.0239 17.3926 17.3926 k = 0.5888 0.0323 0.3492 ( 1256 PWs) bands (ev): -24.2789 -24.2789 -8.2562 -8.2562 -6.9288 -6.9288 -6.0851 -6.0851 -5.3224 -5.3224 6.5833 6.5833 7.1384 7.1384 7.2919 7.2919 13.5374 13.5374 15.1867 15.1867 16.9849 16.9849 17.4437 17.4437 k = 0.5921 0.0228 0.3545 ( 1260 PWs) bands (ev): -24.2777 -24.2777 -8.2287 -8.2287 -6.9470 -6.9470 -6.0991 -6.0991 -5.3469 -5.3469 6.6223 6.6223 7.1578 7.1578 7.3146 7.3146 13.4565 13.4565 15.2259 15.2259 16.9457 16.9457 17.4962 17.4962 k = 0.5954 0.0133 0.3599 ( 1258 PWs) bands (ev): -24.2765 -24.2765 -8.2011 -8.2011 -6.9651 -6.9651 -6.1126 -6.1126 -5.3711 -5.3711 6.6607 6.6607 7.1772 7.1772 7.3361 7.3361 13.3759 13.3759 15.2689 15.2689 16.9067 16.9067 17.5499 17.5499 k = 0.5987 0.0038 0.3653 ( 1258 PWs) bands (ev): -24.2754 -24.2754 -8.1736 -8.1736 -6.9826 -6.9826 -6.1257 -6.1257 -5.3949 -5.3949 6.6983 6.6983 7.1966 7.1966 7.3560 7.3560 13.2959 13.2959 15.3153 15.3153 16.8680 16.8680 17.6046 17.6046 k = 0.6020-0.0057 0.3706 ( 1262 PWs) bands (ev): -24.2743 -24.2743 -8.1464 -8.1464 -6.9996 -6.9996 -6.1382 -6.1382 -5.4183 -5.4183 6.7352 6.7352 7.2161 7.2161 7.3743 7.3743 13.2168 13.2168 15.3649 15.3649 16.8298 16.8298 17.6599 17.6599 k = 0.6053-0.0152 0.3760 ( 1260 PWs) bands (ev): -24.2733 -24.2733 -8.1197 -8.1197 -7.0157 -7.0157 -6.1501 -6.1501 -5.4412 -5.4412 6.7713 6.7713 7.2354 7.2354 7.3907 7.3907 13.1387 13.1387 15.4174 15.4174 16.7923 16.7923 17.7155 17.7155 k = 0.6086-0.0247 0.3814 ( 1258 PWs) bands (ev): -24.2724 -24.2724 -8.0937 -8.0937 -7.0309 -7.0309 -6.1614 -6.1614 -5.4636 -5.4636 6.8066 6.8066 7.2547 7.2547 7.4051 7.4051 13.0619 13.0619 15.4724 15.4724 16.7556 16.7556 17.7710 17.7710 k = 0.6118-0.0342 0.3868 ( 1258 PWs) bands (ev): -24.2716 -24.2716 -8.0685 -8.0685 -7.0448 -7.0448 -6.1718 -6.1718 -5.4855 -5.4855 6.8411 6.8411 7.2738 7.2738 7.4174 7.4174 12.9866 12.9866 15.5297 15.5297 16.7199 16.7199 17.8258 17.8258 k = 0.6151-0.0437 0.3921 ( 1258 PWs) bands (ev): -24.2709 -24.2709 -8.0445 -8.0445 -7.0573 -7.0573 -6.1815 -6.1815 -5.5068 -5.5068 6.8747 6.8747 7.2928 7.2928 7.4274 7.4274 12.9128 12.9128 15.5887 15.5887 16.6852 16.6852 17.8795 17.8795 k = 0.6184-0.0532 0.3975 ( 1256 PWs) bands (ev): -24.2703 -24.2703 -8.0219 -8.0219 -7.0680 -7.0680 -6.1903 -6.1903 -5.5274 -5.5274 6.9074 6.9074 7.3114 7.3114 7.4352 7.4352 12.8407 12.8407 15.6489 15.6489 16.6517 16.6517 17.9314 17.9314 k = 0.6217-0.0627 0.4029 ( 1256 PWs) bands (ev): -24.2698 -24.2698 -8.0008 -8.0008 -7.0770 -7.0770 -6.1982 -6.1982 -5.5474 -5.5474 6.9393 6.9393 7.3297 7.3297 7.4406 7.4406 12.7705 12.7705 15.7096 15.7096 16.6197 16.6197 17.9808 17.9808 k = 0.6250-0.0722 0.4082 ( 1260 PWs) bands (ev): -24.2694 -24.2694 -7.9816 -7.9816 -7.0838 -7.0838 -6.2051 -6.2051 -5.5666 -5.5666 6.9702 6.9702 7.3476 7.3476 7.4439 7.4439 12.7023 12.7023 15.7699 15.7699 16.5898 16.5898 18.0268 18.0268 k = 0.6250-0.0722 0.4082 ( 1260 PWs) bands (ev): -24.2694 -24.2694 -7.9816 -7.9816 -7.0838 -7.0838 -6.2051 -6.2051 -5.5666 -5.5666 6.9702 6.9702 7.3476 7.3476 7.4439 7.4439 12.7023 12.7023 15.7699 15.7699 16.5898 16.5898 18.0268 18.0268 k = 0.6193-0.0689 0.4175 ( 1256 PWs) bands (ev): -24.2694 -24.2694 -7.9813 -7.9813 -7.0839 -7.0839 -6.2064 -6.2064 -5.5657 -5.5657 6.9692 6.9692 7.3485 7.3485 7.4441 7.4441 12.7050 12.7050 15.7620 15.7620 16.5890 16.5890 18.0336 18.0336 k = 0.6136-0.0656 0.4268 ( 1255 PWs) bands (ev): -24.2694 -24.2694 -7.9805 -7.9805 -7.0841 -7.0841 -6.2102 -6.2102 -5.5628 -5.5628 6.9660 6.9660 7.3511 7.3511 7.4447 7.4447 12.7133 12.7133 15.7387 15.7387 16.5868 16.5868 18.0538 18.0538 k = 0.6080-0.0623 0.4361 ( 1259 PWs) bands (ev): -24.2693 -24.2693 -7.9792 -7.9792 -7.0846 -7.0846 -6.2165 -6.2165 -5.5581 -5.5581 6.9610 6.9610 7.3551 7.3551 7.4457 7.4457 12.7271 12.7271 15.7008 15.7008 16.5832 16.5832 18.0861 18.0861 k = 0.6023-0.0590 0.4454 ( 1265 PWs) bands (ev): -24.2692 -24.2692 -7.9774 -7.9774 -7.0853 -7.0853 -6.2248 -6.2248 -5.5519 -5.5519 6.9542 6.9542 7.3605 7.3605 7.4472 7.4472 12.7463 12.7463 15.6498 15.6498 16.5783 16.5783 18.1292 18.1292 k = 0.5966-0.0558 0.4546 ( 1265 PWs) bands (ev): -24.2691 -24.2691 -7.9750 -7.9750 -7.0861 -7.0861 -6.2351 -6.2351 -5.5443 -5.5443 6.9461 6.9461 7.3668 7.3668 7.4492 7.4492 12.7710 12.7710 15.5874 15.5874 16.5722 16.5722 18.1812 18.1812 k = 0.5909-0.0525 0.4639 ( 1265 PWs) bands (ev): -24.2689 -24.2689 -7.9723 -7.9723 -7.0872 -7.0872 -6.2469 -6.2469 -5.5357 -5.5357 6.9367 6.9367 7.3737 7.3737 7.4518 7.4518 12.8010 12.8010 15.5153 15.5153 16.5653 16.5653 18.2402 18.2402 k = 0.5852-0.0492 0.4732 ( 1267 PWs) bands (ev): -24.2687 -24.2687 -7.9691 -7.9691 -7.0885 -7.0885 -6.2598 -6.2598 -5.5262 -5.5262 6.9265 6.9265 7.3808 7.3808 7.4550 7.4550 12.8363 12.8363 15.4352 15.4352 16.5577 16.5577 18.3041 18.3041 k = 0.5795-0.0459 0.4825 ( 1265 PWs) bands (ev): -24.2685 -24.2685 -7.9655 -7.9655 -7.0901 -7.0901 -6.2736 -6.2736 -5.5162 -5.5162 6.9158 6.9158 7.3878 7.3878 7.4588 7.4588 12.8768 12.8768 15.3484 15.3484 16.5496 16.5496 18.3713 18.3713 k = 0.5739-0.0426 0.4918 ( 1261 PWs) bands (ev): -24.2683 -24.2683 -7.9616 -7.9616 -7.0919 -7.0919 -6.2879 -6.2879 -5.5060 -5.5060 6.9047 6.9047 7.3945 7.3945 7.4634 7.4634 12.9225 12.9225 15.2564 15.2564 16.5413 16.5413 18.4399 18.4399 k = 0.5682-0.0394 0.5010 ( 1259 PWs) bands (ev): -24.2680 -24.2680 -7.9575 -7.9575 -7.0939 -7.0939 -6.3024 -6.3024 -5.4957 -5.4957 6.8935 6.8935 7.4006 7.4006 7.4686 7.4686 12.9731 12.9731 15.1602 15.1602 16.5330 16.5330 18.5086 18.5086 k = 0.5625-0.0361 0.5103 ( 1259 PWs) bands (ev): -24.2678 -24.2678 -7.9532 -7.9532 -7.0962 -7.0962 -6.3166 -6.3166 -5.4856 -5.4856 6.8824 6.8824 7.4061 7.4061 7.4744 7.4744 13.0286 13.0286 15.0608 15.0608 16.5249 16.5249 18.5758 18.5758 k = 0.5568-0.0328 0.5196 ( 1255 PWs) bands (ev): -24.2675 -24.2675 -7.9487 -7.9487 -7.0988 -7.0988 -6.3305 -6.3305 -5.4759 -5.4759 6.8717 6.8717 7.4110 7.4110 7.4804 7.4804 13.0888 13.0888 14.9590 14.9590 16.5173 16.5173 18.6405 18.6405 k = 0.5511-0.0295 0.5289 ( 1256 PWs) bands (ev): -24.2672 -24.2672 -7.9443 -7.9443 -7.1015 -7.1015 -6.3436 -6.3436 -5.4667 -5.4667 6.8614 6.8614 7.4153 7.4153 7.4865 7.4865 13.1537 13.1537 14.8555 14.8555 16.5102 16.5102 18.7016 18.7016 k = 0.5455-0.0262 0.5381 ( 1256 PWs) bands (ev): -24.2670 -24.2670 -7.9399 -7.9399 -7.1044 -7.1044 -6.3559 -6.3559 -5.4582 -5.4582 6.8518 6.8518 7.4191 7.4191 7.4924 7.4924 13.2231 13.2231 14.7509 14.7509 16.5039 16.5039 18.7580 18.7580 k = 0.5398-0.0230 0.5474 ( 1251 PWs) bands (ev): -24.2667 -24.2667 -7.9357 -7.9357 -7.1074 -7.1074 -6.3670 -6.3670 -5.4504 -5.4504 6.8430 6.8430 7.4225 7.4225 7.4979 7.4979 13.2969 13.2969 14.6456 14.6456 16.4983 16.4983 18.8090 18.8090 k = 0.5341-0.0197 0.5567 ( 1246 PWs) bands (ev): -24.2665 -24.2665 -7.9317 -7.9317 -7.1104 -7.1104 -6.3769 -6.3769 -5.4436 -5.4436 6.8350 6.8350 7.4256 7.4256 7.5028 7.5028 13.3748 13.3748 14.5402 14.5402 16.4937 16.4937 18.8540 18.8540 k = 0.5284-0.0164 0.5660 ( 1246 PWs) bands (ev): -24.2663 -24.2663 -7.9281 -7.9281 -7.1133 -7.1133 -6.3854 -6.3854 -5.4377 -5.4377 6.8281 6.8281 7.4283 7.4283 7.5069 7.5069 13.4567 13.4567 14.4348 14.4348 16.4900 16.4900 18.8924 18.8924 k = 0.5227-0.0131 0.5753 ( 1246 PWs) bands (ev): -24.2661 -24.2661 -7.9249 -7.9249 -7.1159 -7.1159 -6.3925 -6.3925 -5.4328 -5.4328 6.8222 6.8222 7.4308 7.4308 7.5102 7.5102 13.5424 13.5424 14.3298 14.3298 16.4872 16.4872 18.9240 18.9240 k = 0.5170-0.0098 0.5845 ( 1246 PWs) bands (ev): -24.2659 -24.2659 -7.9223 -7.9223 -7.1183 -7.1183 -6.3980 -6.3980 -5.4289 -5.4289 6.8176 6.8176 7.4329 7.4329 7.5127 7.5127 13.6318 13.6318 14.2256 14.2256 16.4852 16.4852 18.9484 18.9484 k = 0.5114-0.0066 0.5938 ( 1246 PWs) bands (ev): -24.2658 -24.2658 -7.9204 -7.9204 -7.1201 -7.1201 -6.4019 -6.4019 -5.4262 -5.4262 6.8142 6.8142 7.4347 7.4347 7.5143 7.5143 13.7245 13.7245 14.1223 14.1223 16.4839 16.4839 18.9657 18.9657 k = 0.5057-0.0033 0.6031 ( 1246 PWs) bands (ev): -24.2657 -24.2657 -7.9192 -7.9192 -7.1213 -7.1213 -6.4042 -6.4042 -5.4245 -5.4245 6.8121 6.8121 7.4358 7.4358 7.5151 7.5151 13.8204 13.8204 14.0201 14.0201 16.4833 16.4833 18.9759 18.9759 k = 0.5000-0.0000 0.6124 ( 1256 PWs) bands (ev): -24.2657 -24.2657 -7.9188 -7.9188 -7.1217 -7.1217 -6.4050 -6.4050 -5.4240 -5.4240 6.8114 6.8114 7.4363 7.4363 7.5153 7.5153 13.9181 13.9181 13.9204 13.9204 16.4831 16.4831 18.9793 18.9793 k = 0.5000-0.0000 0.6124 ( 1256 PWs) bands (ev): -24.2657 -24.2657 -7.9188 -7.9188 -7.1217 -7.1217 -6.4050 -6.4050 -5.4240 -5.4240 6.8114 6.8114 7.4363 7.4363 7.5153 7.5153 13.9181 13.9181 13.9204 13.9204 16.4831 16.4831 18.9793 18.9793 k = 0.5000 0.0066 0.6031 ( 1244 PWs) bands (ev): -24.2658 -24.2658 -7.9205 -7.9205 -7.1206 -7.1206 -6.4037 -6.4037 -5.4235 -5.4235 6.8105 6.8105 7.4353 7.4353 7.5142 7.5142 13.9193 13.9193 13.9216 13.9216 16.4850 16.4850 18.9727 18.9727 k = 0.5000 0.0131 0.5938 ( 1244 PWs) bands (ev): -24.2659 -24.2659 -7.9258 -7.9258 -7.1173 -7.1173 -6.3999 -6.3999 -5.4221 -5.4221 6.8077 6.8077 7.4324 7.4324 7.5109 7.5109 13.9226 13.9226 13.9254 13.9254 16.4905 16.4905 18.9529 18.9529 k = 0.5000 0.0197 0.5845 ( 1244 PWs) bands (ev): -24.2662 -24.2662 -7.9345 -7.9345 -7.1120 -7.1120 -6.3935 -6.3935 -5.4198 -5.4198 6.8031 6.8031 7.4276 7.4276 7.5054 7.5054 13.9278 13.9278 13.9322 13.9322 16.4998 16.4998 18.9198 18.9198 k = 0.5000 0.0262 0.5753 ( 1244 PWs) bands (ev): -24.2665 -24.2665 -7.9463 -7.9463 -7.1047 -7.1047 -6.3848 -6.3848 -5.4165 -5.4165 6.7965 6.7965 7.4208 7.4208 7.4978 7.4978 13.9347 13.9347 13.9419 13.9419 16.5126 16.5126 18.8738 18.8738 k = 0.5000 0.0328 0.5660 ( 1244 PWs) bands (ev): -24.2670 -24.2670 -7.9611 -7.9611 -7.0957 -7.0957 -6.3737 -6.3737 -5.4123 -5.4123 6.7881 6.7881 7.4121 7.4121 7.4882 7.4882 13.9434 13.9434 13.9544 13.9544 16.5290 16.5290 18.8160 18.8160 k = 0.5000 0.0394 0.5567 ( 1246 PWs) bands (ev): -24.2675 -24.2675 -7.9784 -7.9784 -7.0852 -7.0852 -6.3606 -6.3606 -5.4070 -5.4070 6.7779 6.7779 7.4015 7.4015 7.4767 7.4767 13.9539 13.9539 13.9699 13.9699 16.5487 16.5487 18.7480 18.7480 k = 0.5000 0.0459 0.5474 ( 1248 PWs) bands (ev): -24.2682 -24.2682 -7.9980 -7.9980 -7.0733 -7.0733 -6.3455 -6.3455 -5.4008 -5.4008 6.7657 6.7657 7.3891 7.3891 7.4635 7.4635 13.9661 13.9661 13.9882 13.9882 16.5718 16.5718 18.6714 18.6714 k = 0.5000 0.0525 0.5381 ( 1248 PWs) bands (ev): -24.2689 -24.2689 -8.0196 -8.0196 -7.0603 -7.0603 -6.3286 -6.3286 -5.3935 -5.3935 6.7516 6.7516 7.3748 7.3748 7.4487 7.4487 13.9798 13.9798 14.0093 14.0093 16.5980 16.5980 18.5881 18.5881 k = 0.5000 0.0590 0.5289 ( 1252 PWs) bands (ev): -24.2697 -24.2697 -8.0428 -8.0428 -7.0463 -7.0463 -6.3103 -6.3103 -5.3852 -5.3852 6.7357 6.7357 7.3589 7.3589 7.4325 7.4325 13.9950 13.9950 14.0334 14.0334 16.6271 16.6271 18.4997 18.4997 k = 0.5000 0.0656 0.5196 ( 1250 PWs) bands (ev): -24.2706 -24.2706 -8.0674 -8.0674 -7.0316 -7.0316 -6.2907 -6.2907 -5.3759 -5.3759 6.7178 6.7178 7.3413 7.3413 7.4150 7.4150 14.0116 14.0116 14.0604 14.0604 16.6590 16.6590 18.4077 18.4077 k = 0.5000 0.0722 0.5103 ( 1250 PWs) bands (ev): -24.2716 -24.2716 -8.0931 -8.0931 -7.0162 -7.0162 -6.2700 -6.2700 -5.3654 -5.3654 6.6980 6.6980 7.3221 7.3221 7.3964 7.3964 14.0294 14.0294 14.0902 14.0902 16.6933 16.6933 18.3136 18.3136 k = 0.5000 0.0787 0.5010 ( 1252 PWs) bands (ev): -24.2726 -24.2726 -8.1196 -8.1196 -7.0003 -7.0003 -6.2485 -6.2485 -5.3538 -5.3538 6.6763 6.6763 7.3017 7.3017 7.3768 7.3768 14.0482 14.0482 14.1230 14.1230 16.7300 16.7300 18.2184 18.2184 k = 0.5000 0.0853 0.4918 ( 1256 PWs) bands (ev): -24.2738 -24.2738 -8.1467 -8.1467 -6.9839 -6.9839 -6.2264 -6.2264 -5.3411 -5.3411 6.6527 6.6527 7.2801 7.2801 7.3563 7.3563 14.0680 14.0680 14.1588 14.1588 16.7686 16.7686 18.1232 18.1232 k = 0.5000 0.0919 0.4825 ( 1252 PWs) bands (ev): -24.2749 -24.2749 -8.1742 -8.1742 -6.9673 -6.9673 -6.2039 -6.2039 -5.3273 -5.3273 6.6273 6.6273 7.2576 7.2576 7.3351 7.3351 14.0884 14.0884 14.1974 14.1974 16.8089 16.8089 18.0288 18.0288 k = 0.5000 0.0984 0.4732 ( 1252 PWs) bands (ev): -24.2762 -24.2762 -8.2019 -8.2019 -6.9504 -6.9504 -6.1812 -6.1812 -5.3124 -5.3124 6.6000 6.6000 7.2343 7.2343 7.3131 7.3131 14.1095 14.1095 14.2390 14.2390 16.8505 16.8505 17.9359 17.9359 k = 0.5000 0.1050 0.4639 ( 1252 PWs) bands (ev): -24.2774 -24.2774 -8.2297 -8.2297 -6.9333 -6.9333 -6.1585 -6.1585 -5.2963 -5.2963 6.5709 6.5709 7.2106 7.2106 7.2906 7.2906 14.1309 14.1309 14.2835 14.2835 16.8931 16.8931 17.8451 17.8451 k = 0.5000 0.1115 0.4546 ( 1254 PWs) bands (ev): -24.2788 -24.2788 -8.2574 -8.2574 -6.9162 -6.9162 -6.1360 -6.1360 -5.2793 -5.2793 6.5401 6.5401 7.1866 7.1866 7.2675 7.2675 14.1526 14.1526 14.3309 14.3309 16.9363 16.9363 17.7569 17.7569 k = 0.5000 0.1181 0.4454 ( 1258 PWs) bands (ev): -24.2801 -24.2801 -8.2849 -8.2849 -6.8990 -6.8990 -6.1138 -6.1138 -5.2612 -5.2612 6.5077 6.5077 7.1626 7.1626 7.2441 7.2441 14.1743 14.1743 14.3812 14.3812 16.9795 16.9795 17.6717 17.6717 k = 0.5000 0.1247 0.4361 ( 1262 PWs) bands (ev): -24.2815 -24.2815 -8.3121 -8.3121 -6.8819 -6.8819 -6.0921 -6.0921 -5.2423 -5.2423 6.4737 6.4737 7.1387 7.1387 7.2203 7.2203 14.1958 14.1958 14.4343 14.4343 17.0224 17.0224 17.5900 17.5900 k = 0.5000 0.1312 0.4268 ( 1260 PWs) bands (ev): -24.2829 -24.2829 -8.3388 -8.3388 -6.8649 -6.8649 -6.0709 -6.0709 -5.2224 -5.2224 6.4385 6.4385 7.1151 7.1151 7.1962 7.1962 14.2170 14.2170 14.4903 14.4903 17.0643 17.0643 17.5120 17.5120 k = 0.5000 0.1378 0.4175 ( 1264 PWs) bands (ev): -24.2843 -24.2843 -8.3649 -8.3649 -6.8481 -6.8481 -6.0502 -6.0502 -5.2019 -5.2019 6.4021 6.4021 7.0919 7.0919 7.1721 7.1721 14.2377 14.2377 14.5490 14.5490 17.1047 17.1047 17.4380 17.4380 k = 0.5000 0.1443 0.4082 ( 1264 PWs) bands (ev): -24.2857 -24.2857 -8.3905 -8.3905 -6.8316 -6.8316 -6.0303 -6.0303 -5.1807 -5.1807 6.3648 6.3648 7.0694 7.0694 7.1479 7.1479 14.2577 14.2577 14.6105 14.6105 17.1426 17.1426 17.3686 17.3686 k = 0.5000 0.1509 0.3990 ( 1264 PWs) bands (ev): -24.2872 -24.2872 -8.4153 -8.4153 -6.8153 -6.8153 -6.0111 -6.0111 -5.1591 -5.1591 6.3267 6.3267 7.0475 7.0475 7.1238 7.1238 14.2770 14.2770 14.6746 14.6746 17.1762 17.1762 17.3048 17.3048 k = 0.5000 0.1575 0.3897 ( 1260 PWs) bands (ev): -24.2886 -24.2886 -8.4393 -8.4393 -6.7995 -6.7995 -5.9926 -5.9926 -5.1370 -5.1370 6.2881 6.2881 7.0264 7.0264 7.0999 7.0999 14.2954 14.2954 14.7414 14.7414 17.1969 17.1969 17.2550 17.2550 k = 0.5000 0.1640 0.3804 ( 1256 PWs) bands (ev): -24.2900 -24.2900 -8.4625 -8.4625 -6.7841 -6.7841 -5.9749 -5.9749 -5.1148 -5.1148 6.2492 6.2492 7.0061 7.0061 7.0762 7.0762 14.3127 14.3127 14.8107 14.8107 17.1689 17.1689 17.2540 17.2540 k = 0.5000 0.1706 0.3711 ( 1256 PWs) bands (ev): -24.2913 -24.2913 -8.4848 -8.4848 -6.7691 -6.7691 -5.9580 -5.9580 -5.0925 -5.0925 6.2103 6.2103 6.9866 6.9866 7.0530 7.0530 14.3289 14.3289 14.8824 14.8824 17.1198 17.1198 17.2736 17.2736 k = 0.5000 0.1771 0.3619 ( 1254 PWs) bands (ev): -24.2927 -24.2927 -8.5062 -8.5062 -6.7548 -6.7548 -5.9419 -5.9419 -5.0704 -5.0704 6.1717 6.1717 6.9681 6.9681 7.0303 7.0303 14.3439 14.3439 14.9564 14.9564 17.0716 17.0716 17.2911 17.2911 k = 0.5000 0.1837 0.3526 ( 1256 PWs) bands (ev): -24.2940 -24.2940 -8.5266 -8.5266 -6.7410 -6.7410 -5.9266 -5.9266 -5.0485 -5.0485 6.1337 6.1337 6.9506 6.9506 7.0082 7.0082 14.3577 14.3577 15.0326 15.0326 17.0267 17.0267 17.3032 17.3032 k = 0.5000 0.1903 0.3433 ( 1252 PWs) bands (ev): -24.2953 -24.2953 -8.5459 -8.5459 -6.7279 -6.7279 -5.9121 -5.9121 -5.0270 -5.0270 6.0964 6.0964 6.9340 6.9340 6.9869 6.9869 14.3703 14.3703 15.1110 15.1110 16.9854 16.9854 17.3088 17.3088 k = 0.5000 0.1968 0.3340 ( 1252 PWs) bands (ev): -24.2965 -24.2965 -8.5641 -8.5641 -6.7155 -6.7155 -5.8984 -5.8984 -5.0061 -5.0061 6.0602 6.0602 6.9183 6.9183 6.9664 6.9664 14.3815 14.3815 15.1912 15.1912 16.9479 16.9479 17.3073 17.3073 k = 0.5000 0.2034 0.3247 ( 1254 PWs) bands (ev): -24.2977 -24.2977 -8.5812 -8.5812 -6.7038 -6.7038 -5.8855 -5.8855 -4.9860 -4.9860 6.0252 6.0252 6.9037 6.9037 6.9468 6.9468 14.3916 14.3916 15.2732 15.2732 16.9140 16.9140 17.2981 17.2981 k = 0.5000 0.2099 0.3155 ( 1252 PWs) bands (ev): -24.2988 -24.2988 -8.5972 -8.5972 -6.6928 -6.6928 -5.8735 -5.8735 -4.9667 -4.9667 5.9918 5.9918 6.8900 6.8900 6.9284 6.9284 14.4004 14.4004 15.3568 15.3568 16.8836 16.8836 17.2810 17.2810 k = 0.5000 0.2165 0.3062 ( 1244 PWs) bands (ev): -24.2998 -24.2998 -8.6120 -8.6120 -6.6827 -6.6827 -5.8623 -5.8623 -4.9484 -4.9484 5.9602 5.9602 6.8774 6.8774 6.9110 6.9110 14.4081 14.4081 15.4418 15.4418 16.8565 16.8565 17.2560 17.2560 k = 0.5000 0.2231 0.2969 ( 1252 PWs) bands (ev): -24.3008 -24.3008 -8.6256 -8.6256 -6.6734 -6.6734 -5.8520 -5.8520 -4.9313 -4.9313 5.9306 5.9306 6.8657 6.8657 6.8950 6.8950 14.4147 14.4147 15.5278 15.5278 16.8326 16.8326 17.2231 17.2231 k = 0.5000 0.2296 0.2876 ( 1252 PWs) bands (ev): -24.3016 -24.3016 -8.6379 -8.6379 -6.6649 -6.6649 -5.8426 -5.8426 -4.9154 -4.9154 5.9031 5.9031 6.8550 6.8550 6.8803 6.8803 14.4203 14.4203 15.6145 15.6145 16.8116 16.8116 17.1829 17.1829 k = 0.5000 0.2362 0.2784 ( 1250 PWs) bands (ev): -24.3024 -24.3024 -8.6490 -8.6490 -6.6573 -6.6573 -5.8341 -5.8341 -4.9009 -4.9009 5.8780 5.8780 6.8453 6.8453 6.8671 6.8671 14.4250 14.4250 15.7016 15.7016 16.7934 16.7934 17.1360 17.1360 k = 0.5000 0.2427 0.2691 ( 1254 PWs) bands (ev): -24.3032 -24.3032 -8.6589 -8.6589 -6.6506 -6.6506 -5.8265 -5.8265 -4.8879 -4.8879 5.8555 5.8555 6.8366 6.8366 6.8554 6.8554 14.4289 14.4289 15.7886 15.7886 16.7777 16.7777 17.0832 17.0832 k = 0.5000 0.2493 0.2598 ( 1254 PWs) bands (ev): -24.3038 -24.3038 -8.6674 -8.6674 -6.6447 -6.6447 -5.8198 -5.8198 -4.8764 -4.8764 5.8356 5.8356 6.8287 6.8287 6.8454 6.8454 14.4320 14.4320 15.8746 15.8746 16.7643 16.7643 17.0258 17.0258 k = 0.5000 0.2559 0.2505 ( 1250 PWs) bands (ev): -24.3043 -24.3043 -8.6747 -8.6747 -6.6397 -6.6397 -5.8142 -5.8142 -4.8665 -4.8665 5.8186 5.8186 6.8219 6.8219 6.8371 6.8371 14.4345 14.4345 15.9586 15.9586 16.7531 16.7531 16.9652 16.9652 k = 0.5000 0.2624 0.2412 ( 1248 PWs) bands (ev): -24.3048 -24.3048 -8.6806 -8.6806 -6.6356 -6.6356 -5.8095 -5.8095 -4.8584 -4.8584 5.8045 5.8045 6.8160 6.8160 6.8304 6.8304 14.4365 14.4365 16.0391 16.0391 16.7436 16.7436 16.9038 16.9038 k = 0.5000 0.2690 0.2320 ( 1250 PWs) bands (ev): -24.3051 -24.3051 -8.6853 -8.6853 -6.6325 -6.6325 -5.8059 -5.8059 -4.8520 -4.8520 5.7934 5.7934 6.8113 6.8113 6.8254 6.8254 14.4379 14.4379 16.1134 16.1134 16.7351 16.7351 16.8452 16.8452 k = 0.5000 0.2756 0.2227 ( 1256 PWs) bands (ev): -24.3054 -24.3054 -8.6886 -8.6886 -6.6302 -6.6302 -5.8032 -5.8032 -4.8474 -4.8474 5.7855 5.7855 6.8078 6.8078 6.8219 6.8219 14.4389 14.4389 16.1767 16.1767 16.7260 16.7260 16.7958 16.7958 k = 0.5000 0.2821 0.2134 ( 1260 PWs) bands (ev): -24.3055 -24.3055 -8.6906 -8.6906 -6.6288 -6.6288 -5.8017 -5.8017 -4.8447 -4.8447 5.7807 5.7807 6.8057 6.8057 6.8198 6.8198 14.4394 14.4394 16.2216 16.2216 16.7141 16.7141 16.7657 16.7657 k = 0.5000 0.2887 0.2041 ( 1260 PWs) bands (ev): -24.3056 -24.3056 -8.6913 -8.6913 -6.6284 -6.6284 -5.8012 -5.8012 -4.8437 -4.8437 5.7791 5.7791 6.8049 6.8049 6.8191 6.8191 14.4396 14.4396 16.2383 16.2383 16.7069 16.7069 16.7572 16.7572 k = 0.5000 0.2887 0.2041 ( 1260 PWs) bands (ev): -24.3056 -24.3056 -8.6913 -8.6913 -6.6284 -6.6284 -5.8012 -5.8012 -4.8437 -4.8437 5.7791 5.7791 6.8049 6.8049 6.8191 6.8191 14.4396 14.4396 16.2383 16.2383 16.7069 16.7069 16.7572 16.7572 k = 0.4967 0.2868 0.2149 ( 1260 PWs) bands (ev): -24.3055 -24.3055 -8.6906 -8.6906 -6.6288 -6.6288 -5.8017 -5.8017 -4.8447 -4.8447 5.7807 5.7807 6.8057 6.8057 6.8198 6.8198 14.4394 14.4394 16.2215 16.2215 16.7141 16.7141 16.7657 16.7657 k = 0.4934 0.2849 0.2256 ( 1254 PWs) bands (ev): -24.3054 -24.3054 -8.6886 -8.6886 -6.6302 -6.6302 -5.8033 -5.8033 -4.8474 -4.8474 5.7855 5.7855 6.8078 6.8078 6.8219 6.8219 14.4389 14.4389 16.1764 16.1764 16.7260 16.7260 16.7961 16.7961 k = 0.4901 0.2830 0.2364 ( 1251 PWs) bands (ev): -24.3051 -24.3051 -8.6852 -8.6852 -6.6325 -6.6325 -5.8059 -5.8059 -4.8521 -4.8521 5.7935 5.7935 6.8113 6.8113 6.8254 6.8254 14.4379 14.4379 16.1128 16.1128 16.7351 16.7351 16.8457 16.8457 k = 0.4868 0.2811 0.2471 ( 1251 PWs) bands (ev): -24.3048 -24.3048 -8.6806 -8.6806 -6.6357 -6.6357 -5.8096 -5.8096 -4.8585 -4.8585 5.8046 5.8046 6.8161 6.8161 6.8305 6.8305 14.4364 14.4364 16.0384 16.0384 16.7434 16.7434 16.9047 16.9047 k = 0.4836 0.2792 0.2578 ( 1250 PWs) bands (ev): -24.3043 -24.3043 -8.6746 -8.6746 -6.6398 -6.6398 -5.8142 -5.8142 -4.8667 -4.8667 5.8188 5.8188 6.8219 6.8219 6.8372 6.8372 14.4344 14.4344 15.9578 15.9578 16.7526 16.7526 16.9664 16.9664 k = 0.4803 0.2773 0.2686 ( 1250 PWs) bands (ev): -24.3038 -24.3038 -8.6673 -8.6673 -6.6448 -6.6448 -5.8199 -5.8199 -4.8766 -4.8766 5.8359 5.8359 6.8288 6.8288 6.8457 6.8457 14.4318 14.4318 15.8739 15.8739 16.7633 16.7633 17.0274 17.0274 k = 0.4770 0.2754 0.2793 ( 1250 PWs) bands (ev): -24.3032 -24.3032 -8.6587 -8.6587 -6.6507 -6.6507 -5.8266 -5.8266 -4.8881 -4.8881 5.8559 5.8559 6.8365 6.8365 6.8559 6.8559 14.4283 14.4283 15.7886 15.7886 16.7756 16.7756 17.0854 17.0854 k = 0.4737 0.2735 0.2901 ( 1248 PWs) bands (ev): -24.3024 -24.3024 -8.6488 -8.6488 -6.6575 -6.6575 -5.8342 -5.8342 -4.9013 -4.9013 5.8786 5.8786 6.8451 6.8451 6.8678 6.8678 14.4238 14.4238 15.7030 15.7030 16.7898 16.7898 17.1388 17.1388 k = 0.4704 0.2716 0.3008 ( 1250 PWs) bands (ev): -24.3016 -24.3016 -8.6376 -8.6376 -6.6652 -6.6652 -5.8427 -5.8427 -4.9159 -4.9159 5.9038 5.9038 6.8545 6.8545 6.8814 6.8814 14.4179 14.4179 15.6182 15.6182 16.8058 16.8058 17.1865 17.1865 k = 0.4671 0.2697 0.3116 ( 1253 PWs) bands (ev): -24.3007 -24.3007 -8.6252 -8.6252 -6.6737 -6.6737 -5.8520 -5.8520 -4.9319 -4.9319 5.9315 5.9315 6.8648 6.8648 6.8965 6.8965 14.4103 14.4103 15.5354 15.5354 16.8238 16.8238 17.2275 17.2275 k = 0.4638 0.2678 0.3223 ( 1251 PWs) bands (ev): -24.2998 -24.2998 -8.6115 -8.6115 -6.6831 -6.6831 -5.8622 -5.8622 -4.9493 -4.9493 5.9614 5.9614 6.8759 6.8759 6.9132 6.9132 14.4003 14.4003 15.4555 15.4555 16.8437 16.8437 17.2612 17.2612 k = 0.4605 0.2659 0.3330 ( 1255 PWs) bands (ev): -24.2987 -24.2987 -8.5967 -8.5967 -6.6934 -6.6934 -5.8732 -5.8732 -4.9678 -4.9678 5.9933 5.9933 6.8879 6.8879 6.9313 6.9313 14.3872 14.3872 15.3796 15.3796 16.8656 16.8656 17.2873 17.2873 k = 0.4572 0.2640 0.3438 ( 1255 PWs) bands (ev): -24.2976 -24.2976 -8.5806 -8.5806 -6.7046 -6.7046 -5.8848 -5.8848 -4.9875 -4.9875 6.0271 6.0271 6.9006 6.9006 6.9507 6.9507 14.3701 14.3701 15.3089 15.3089 16.8895 16.8895 17.3056 17.3056 k = 0.4539 0.2621 0.3545 ( 1255 PWs) bands (ev): -24.2965 -24.2965 -8.5634 -8.5634 -6.7165 -6.7165 -5.8971 -5.8971 -5.0082 -5.0082 6.0625 6.0625 6.9141 6.9141 6.9713 6.9713 14.3481 14.3481 15.2448 15.2448 16.9154 16.9154 17.3162 17.3162 k = 0.4507 0.2602 0.3653 ( 1255 PWs) bands (ev): -24.2952 -24.2952 -8.5451 -8.5451 -6.7292 -6.7292 -5.9100 -5.9100 -5.0298 -5.0298 6.0994 6.0994 6.9283 6.9283 6.9931 6.9931 14.3201 14.3201 15.1886 15.1886 16.9434 16.9434 17.3192 17.3192 k = 0.4474 0.2583 0.3760 ( 1257 PWs) bands (ev): -24.2940 -24.2940 -8.5257 -8.5257 -6.7427 -6.7427 -5.9235 -5.9235 -5.0522 -5.0522 6.1375 6.1375 6.9432 6.9432 7.0158 7.0158 14.2851 14.2851 15.1414 15.1414 16.9734 16.9734 17.3152 17.3152 k = 0.4441 0.2564 0.3868 ( 1257 PWs) bands (ev): -24.2927 -24.2927 -8.5053 -8.5053 -6.7570 -6.7570 -5.9374 -5.9374 -5.0752 -5.0752 6.1766 6.1766 6.9587 6.9587 7.0395 7.0395 14.2428 14.2428 15.1041 15.1041 17.0053 17.0053 17.3049 17.3049 k = 0.4408 0.2545 0.3975 ( 1257 PWs) bands (ev): -24.2913 -24.2913 -8.4838 -8.4838 -6.7720 -6.7720 -5.9516 -5.9516 -5.0989 -5.0989 6.2165 6.2165 6.9748 6.9748 7.0639 7.0639 14.1929 14.1929 15.0769 15.0769 17.0392 17.0392 17.2888 17.2888 k = 0.4375 0.2526 0.4082 ( 1251 PWs) bands (ev): -24.2899 -24.2899 -8.4614 -8.4614 -6.7876 -6.7876 -5.9662 -5.9662 -5.1230 -5.1230 6.2571 6.2571 6.9914 6.9914 7.0890 7.0890 14.1360 14.1360 15.0595 15.0595 17.0748 17.0748 17.2681 17.2681 k = 0.4342 0.2507 0.4190 ( 1251 PWs) bands (ev): -24.2885 -24.2885 -8.4381 -8.4381 -6.8038 -6.8038 -5.9810 -5.9810 -5.1476 -5.1476 6.2980 6.2980 7.0086 7.0086 7.1146 7.1146 14.0728 14.0728 15.0515 15.0515 17.1113 17.1113 17.2441 17.2441 k = 0.4309 0.2488 0.4297 ( 1255 PWs) bands (ev): -24.2871 -24.2871 -8.4140 -8.4140 -6.8206 -6.8206 -5.9960 -5.9960 -5.1724 -5.1724 6.3393 6.3393 7.0262 7.0262 7.1405 7.1405 14.0044 14.0044 15.0519 15.0519 17.1455 17.1455 17.2208 17.2208 k = 0.4276 0.2469 0.4405 ( 1258 PWs) bands (ev): -24.2857 -24.2857 -8.3891 -8.3891 -6.8379 -6.8379 -6.0111 -6.0111 -5.1974 -5.1974 6.3805 6.3805 7.0442 7.0442 7.1665 7.1665 13.9319 13.9319 15.0598 15.0598 17.1570 17.1570 17.2192 17.2192 k = 0.4243 0.2450 0.4512 ( 1256 PWs) bands (ev): -24.2843 -24.2843 -8.3636 -8.3636 -6.8556 -6.8556 -6.0262 -6.0262 -5.2225 -5.2225 6.4218 6.4218 7.0625 7.0625 7.1924 7.1924 13.8562 13.8562 15.0744 15.0744 17.1330 17.1330 17.2527 17.2527 k = 0.4211 0.2431 0.4620 ( 1260 PWs) bands (ev): -24.2830 -24.2830 -8.3374 -8.3374 -6.8737 -6.8737 -6.0412 -6.0412 -5.2476 -5.2476 6.4628 6.4628 7.0812 7.0812 7.2182 7.2182 13.7782 13.7782 15.0949 15.0949 17.0991 17.0991 17.2963 17.2963 k = 0.4178 0.2412 0.4727 ( 1260 PWs) bands (ev): -24.2816 -24.2816 -8.3107 -8.3107 -6.8919 -6.8919 -6.0561 -6.0561 -5.2727 -5.2727 6.5034 6.5034 7.1001 7.1001 7.2435 7.2435 13.6987 13.6987 15.1208 15.1208 17.0622 17.0622 17.3433 17.3433 k = 0.4145 0.2393 0.4835 ( 1260 PWs) bands (ev): -24.2803 -24.2803 -8.2836 -8.2836 -6.9103 -6.9103 -6.0707 -6.0707 -5.2976 -5.2976 6.5436 6.5436 7.1192 7.1192 7.2681 7.2681 13.6183 13.6183 15.1515 15.1515 17.0239 17.0239 17.3926 17.3926 k = 0.4112 0.2374 0.4942 ( 1256 PWs) bands (ev): -24.2789 -24.2789 -8.2562 -8.2562 -6.9288 -6.9288 -6.0851 -6.0851 -5.3224 -5.3224 6.5833 6.5833 7.1384 7.1384 7.2919 7.2919 13.5374 13.5374 15.1867 15.1867 16.9849 16.9849 17.4437 17.4437 k = 0.4079 0.2355 0.5049 ( 1260 PWs) bands (ev): -24.2777 -24.2777 -8.2287 -8.2287 -6.9470 -6.9470 -6.0991 -6.0991 -5.3469 -5.3469 6.6223 6.6223 7.1578 7.1578 7.3146 7.3146 13.4565 13.4565 15.2259 15.2259 16.9457 16.9457 17.4962 17.4962 k = 0.4046 0.2336 0.5157 ( 1258 PWs) bands (ev): -24.2765 -24.2765 -8.2011 -8.2011 -6.9651 -6.9651 -6.1126 -6.1126 -5.3711 -5.3711 6.6607 6.6607 7.1772 7.1772 7.3361 7.3361 13.3759 13.3759 15.2689 15.2689 16.9067 16.9067 17.5499 17.5499 k = 0.4013 0.2317 0.5264 ( 1258 PWs) bands (ev): -24.2754 -24.2754 -8.1736 -8.1736 -6.9826 -6.9826 -6.1257 -6.1257 -5.3949 -5.3949 6.6983 6.6983 7.1966 7.1966 7.3560 7.3560 13.2959 13.2959 15.3153 15.3153 16.8680 16.8680 17.6046 17.6046 k = 0.3980 0.2298 0.5372 ( 1262 PWs) bands (ev): -24.2743 -24.2743 -8.1464 -8.1464 -6.9996 -6.9996 -6.1382 -6.1382 -5.4183 -5.4183 6.7352 6.7352 7.2161 7.2161 7.3743 7.3743 13.2168 13.2168 15.3649 15.3649 16.8298 16.8298 17.6599 17.6599 k = 0.3947 0.2279 0.5479 ( 1260 PWs) bands (ev): -24.2733 -24.2733 -8.1197 -8.1197 -7.0157 -7.0157 -6.1501 -6.1501 -5.4412 -5.4412 6.7713 6.7713 7.2354 7.2354 7.3907 7.3907 13.1387 13.1387 15.4174 15.4174 16.7923 16.7923 17.7155 17.7155 k = 0.3914 0.2260 0.5587 ( 1258 PWs) bands (ev): -24.2724 -24.2724 -8.0937 -8.0937 -7.0309 -7.0309 -6.1614 -6.1614 -5.4636 -5.4636 6.8066 6.8066 7.2547 7.2547 7.4051 7.4051 13.0619 13.0619 15.4724 15.4724 16.7556 16.7556 17.7710 17.7710 k = 0.3882 0.2241 0.5694 ( 1258 PWs) bands (ev): -24.2716 -24.2716 -8.0685 -8.0685 -7.0448 -7.0448 -6.1718 -6.1718 -5.4855 -5.4855 6.8411 6.8411 7.2738 7.2738 7.4174 7.4174 12.9866 12.9866 15.5297 15.5297 16.7199 16.7199 17.8258 17.8258 k = 0.3849 0.2222 0.5801 ( 1258 PWs) bands (ev): -24.2709 -24.2709 -8.0445 -8.0445 -7.0573 -7.0573 -6.1815 -6.1815 -5.5068 -5.5068 6.8747 6.8747 7.2928 7.2928 7.4274 7.4274 12.9128 12.9128 15.5887 15.5887 16.6852 16.6852 17.8795 17.8795 k = 0.3816 0.2203 0.5909 ( 1256 PWs) bands (ev): -24.2703 -24.2703 -8.0219 -8.0219 -7.0680 -7.0680 -6.1903 -6.1903 -5.5274 -5.5274 6.9074 6.9074 7.3114 7.3114 7.4352 7.4352 12.8407 12.8407 15.6489 15.6489 16.6517 16.6517 17.9314 17.9314 k = 0.3783 0.2184 0.6016 ( 1256 PWs) bands (ev): -24.2698 -24.2698 -8.0008 -8.0008 -7.0770 -7.0770 -6.1982 -6.1982 -5.5474 -5.5474 6.9393 6.9393 7.3297 7.3297 7.4406 7.4406 12.7705 12.7705 15.7096 15.7096 16.6197 16.6197 17.9808 17.9808 k = 0.3750 0.2165 0.6124 ( 1260 PWs) bands (ev): -24.2694 -24.2694 -7.9816 -7.9816 -7.0838 -7.0838 -6.2051 -6.2051 -5.5666 -5.5666 6.9702 6.9702 7.3476 7.3476 7.4439 7.4439 12.7023 12.7023 15.7699 15.7699 16.5898 16.5898 18.0268 18.0268 k = 0.6250-0.0722 0.4082 ( 1260 PWs) bands (ev): -24.2694 -24.2694 -7.9816 -7.9816 -7.0838 -7.0838 -6.2051 -6.2051 -5.5666 -5.5666 6.9702 6.9702 7.3476 7.3476 7.4439 7.4439 12.7023 12.7023 15.7699 15.7699 16.5898 16.5898 18.0268 18.0268 k = 0.6193-0.0820 0.4082 ( 1256 PWs) bands (ev): -24.2689 -24.2689 -7.9497 -7.9497 -7.0934 -7.0934 -6.2161 -6.2161 -5.5995 -5.5995 7.0231 7.0231 7.3774 7.3774 7.4486 7.4486 12.5874 12.5874 15.8741 15.8741 16.5386 16.5386 18.1017 18.1017 k = 0.6136-0.0919 0.4082 ( 1256 PWs) bands (ev): -24.2685 -24.2685 -7.9171 -7.9171 -7.1026 -7.1026 -6.2270 -6.2270 -5.6328 -5.6328 7.0763 7.0763 7.4047 7.4047 7.4561 7.4561 12.4753 12.4753 15.9802 15.9802 16.4843 16.4843 18.1745 18.1745 k = 0.6080-0.1017 0.4082 ( 1256 PWs) bands (ev): -24.2682 -24.2682 -7.8840 -7.8840 -7.1111 -7.1111 -6.2379 -6.2379 -5.6664 -5.6664 7.1296 7.1296 7.4257 7.4257 7.4700 7.4700 12.3661 12.3661 16.0884 16.0884 16.4278 16.4278 18.2449 18.2449 k = 0.6023-0.1115 0.4082 ( 1260 PWs) bands (ev): -24.2679 -24.2679 -7.8505 -7.8505 -7.1190 -7.1190 -6.2487 -6.2487 -5.7001 -5.7001 7.1825 7.1825 7.4382 7.4382 7.4925 7.4925 12.2603 12.2603 16.1984 16.1984 16.3695 16.3695 18.3127 18.3127 k = 0.5966-0.1214 0.4082 ( 1260 PWs) bands (ev): -24.2677 -24.2677 -7.8168 -7.8168 -7.1262 -7.1262 -6.2595 -6.2595 -5.7338 -5.7338 7.2348 7.2348 7.4457 7.4457 7.5199 7.5199 12.1581 12.1581 16.3089 16.3089 16.3118 16.3118 18.3775 18.3775 k = 0.5909-0.1312 0.4082 ( 1256 PWs) bands (ev): -24.2675 -24.2675 -7.7831 -7.7831 -7.1326 -7.1326 -6.2703 -6.2703 -5.7674 -5.7674 7.2858 7.2858 7.4519 7.4519 7.5488 7.5488 12.0599 12.0599 16.2508 16.2508 16.4240 16.4240 18.4381 18.4381 k = 0.5852-0.1411 0.4082 ( 1256 PWs) bands (ev): -24.2673 -24.2673 -7.7496 -7.7496 -7.1382 -7.1382 -6.2811 -6.2811 -5.8005 -5.8005 7.3346 7.3346 7.4586 7.4586 7.5778 7.5778 11.9658 11.9658 16.1915 16.1915 16.5394 16.5394 18.4784 18.4784 k = 0.5795-0.1509 0.4082 ( 1256 PWs) bands (ev): -24.2672 -24.2672 -7.7166 -7.7166 -7.1429 -7.1429 -6.2920 -6.2920 -5.8331 -5.8331 7.3790 7.3790 7.4679 7.4679 7.6065 7.6065 11.8761 11.8761 16.1331 16.1331 16.6564 16.6564 18.4454 18.4454 k = 0.5739-0.1607 0.4082 ( 1260 PWs) bands (ev): -24.2672 -24.2672 -7.6843 -7.6843 -7.1466 -7.1466 -6.3031 -6.3031 -5.8648 -5.8648 7.4142 7.4142 7.4846 7.4846 7.6343 7.6343 11.7911 11.7911 16.0761 16.0761 16.7749 16.7749 18.3999 18.3999 k = 0.5682-0.1706 0.4082 ( 1260 PWs) bands (ev): -24.2671 -24.2671 -7.6529 -7.6529 -7.1491 -7.1491 -6.3143 -6.3143 -5.8954 -5.8954 7.4350 7.4350 7.5135 7.5135 7.6612 7.6612 11.7110 11.7110 16.0212 16.0212 16.8948 16.8948 18.3551 18.3551 k = 0.5625-0.1804 0.4082 ( 1260 PWs) bands (ev): -24.2671 -24.2671 -7.6229 -7.6229 -7.1505 -7.1505 -6.3257 -6.3257 -5.9248 -5.9248 7.4455 7.4455 7.5503 7.5503 7.6870 7.6870 11.6361 11.6361 15.9687 15.9687 17.0158 17.0158 18.3123 18.3123 k = 0.5568-0.1903 0.4082 ( 1264 PWs) bands (ev): -24.2671 -24.2671 -7.5945 -7.5945 -7.1506 -7.1506 -6.3373 -6.3373 -5.9524 -5.9524 7.4515 7.4515 7.5886 7.5886 7.7115 7.7115 11.5666 11.5666 15.9191 15.9191 17.1378 17.1378 18.2721 18.2721 k = 0.5511-0.2001 0.4082 ( 1264 PWs) bands (ev): -24.2671 -24.2671 -7.5682 -7.5682 -7.1495 -7.1495 -6.3491 -6.3491 -5.9782 -5.9782 7.4557 7.4557 7.6254 7.6254 7.7347 7.7347 11.5028 11.5028 15.8729 15.8729 17.2604 17.2604 18.2347 18.2347 k = 0.5455-0.2099 0.4082 ( 1264 PWs) bands (ev): -24.2671 -24.2671 -7.5441 -7.5441 -7.1470 -7.1470 -6.3610 -6.3610 -6.0017 -6.0017 7.4588 7.4588 7.6595 7.6595 7.7566 7.7566 11.4449 11.4449 15.8305 15.8305 17.3833 17.3833 18.2005 18.2005 k = 0.5398-0.2198 0.4082 ( 1264 PWs) bands (ev): -24.2672 -24.2672 -7.5226 -7.5226 -7.1435 -7.1435 -6.3728 -6.3728 -6.0229 -6.0229 7.4614 7.4614 7.6900 7.6900 7.7770 7.7770 11.3931 11.3931 15.7922 15.7922 17.5058 17.5058 18.1697 18.1697 k = 0.5341-0.2296 0.4082 ( 1264 PWs) bands (ev): -24.2672 -24.2672 -7.5040 -7.5040 -7.1389 -7.1389 -6.3844 -6.3844 -6.0414 -6.0414 7.4634 7.4634 7.7165 7.7165 7.7958 7.7958 11.3477 11.3477 15.7583 15.7583 17.6271 17.6271 18.1425 18.1425 k = 0.5284-0.2395 0.4082 ( 1260 PWs) bands (ev): -24.2672 -24.2672 -7.4882 -7.4882 -7.1338 -7.1338 -6.3953 -6.3953 -6.0571 -6.0571 7.4651 7.4651 7.7387 7.7387 7.8129 7.8129 11.3088 11.3088 15.7292 15.7292 17.7459 17.7459 18.1192 18.1192 k = 0.5227-0.2493 0.4082 ( 1256 PWs) bands (ev): -24.2673 -24.2673 -7.4755 -7.4755 -7.1285 -7.1285 -6.4051 -6.4051 -6.0700 -6.0700 7.4665 7.4665 7.7564 7.7564 7.8278 7.8278 11.2767 11.2767 15.7050 15.7050 17.8597 17.8597 18.1000 18.1000 k = 0.5170-0.2592 0.4082 ( 1254 PWs) bands (ev): -24.2673 -24.2673 -7.4657 -7.4657 -7.1236 -7.1236 -6.4135 -6.4135 -6.0801 -6.0801 7.4675 7.4675 7.7699 7.7699 7.8402 7.8402 11.2516 11.2516 15.6860 15.6860 17.9648 17.9648 18.0849 18.0849 k = 0.5114-0.2690 0.4082 ( 1252 PWs) bands (ev): -24.2673 -24.2673 -7.4589 -7.4589 -7.1197 -7.1197 -6.4198 -6.4198 -6.0872 -6.0872 7.4682 7.4682 7.7794 7.7794 7.8494 7.8494 11.2335 11.2335 15.6723 15.6723 18.0534 18.0534 18.0750 18.0750 k = 0.5057-0.2788 0.4082 ( 1262 PWs) bands (ev): -24.2673 -24.2673 -7.4548 -7.4548 -7.1171 -7.1171 -6.4238 -6.4238 -6.0915 -6.0915 7.4687 7.4687 7.7849 7.7849 7.8551 7.8551 11.2226 11.2226 15.6640 15.6640 18.0668 18.0668 18.1182 18.1182 k = 0.5000-0.2887 0.4082 ( 1266 PWs) bands (ev): -24.2673 -24.2673 -7.4535 -7.4535 -7.1162 -7.1162 -6.4252 -6.4252 -6.0929 -6.0929 7.4688 7.4688 7.7868 7.7868 7.8570 7.8570 11.2190 11.2190 15.6612 15.6612 18.0647 18.0647 18.1414 18.1414 Writing output data file SrO.save init_run : 0.42s CPU 0.55s WALL ( 1 calls) electrons : 38.32s CPU 39.43s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 38.32s CPU 39.42s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.02s WALL ( 406 calls) cegterg : 35.34s CPU 36.11s WALL ( 406 calls) Called by sum_band: Called by *egterg: h_psi : 14.12s CPU 15.10s WALL ( 7080 calls) s_psi : 0.51s CPU 0.57s WALL ( 7080 calls) g_psi : 0.04s CPU 0.04s WALL ( 6268 calls) cdiaghg : 19.24s CPU 19.23s WALL ( 6674 calls) cegterg:over : 1.09s CPU 1.15s WALL ( 6268 calls) cegterg:upda : 0.81s CPU 0.84s WALL ( 6268 calls) cegterg:last : 0.42s CPU 0.44s WALL ( 1248 calls) cdiaghg:chol : 0.98s CPU 0.96s WALL ( 6674 calls) cdiaghg:inve : 0.25s CPU 0.30s WALL ( 6674 calls) cdiaghg:para : 1.34s CPU 1.28s WALL ( 13348 calls) Called by h_psi: h_psi:vloc : 12.85s CPU 13.71s WALL ( 7080 calls) h_psi:vnl : 1.25s CPU 1.37s WALL ( 7080 calls) add_vuspsi : 0.63s CPU 0.72s WALL ( 7080 calls) General routines calbec : 0.59s CPU 0.63s WALL ( 7080 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 11.82s CPU 12.61s WALL ( 406108 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.06s CPU 0.08s WALL ( 812 calls) Parallel routines fft_scatter : 7.13s CPU 7.75s WALL ( 406131 calls) PWSCF : 45.44s CPU 57.67s WALL This run was terminated on: 21: 4:23 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=