Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:58:40 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: ./TiF2.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 28 28 8 614 614 97 Max 29 29 9 619 619 100 Sum 1039 1039 313 22227 22227 3527 bravais-lattice index = 14 lattice parameter (alat) = 6.8890 a.u. unit-cell volume = 231.1793 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 26.00 number of Kohn-Sham states= 34 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.888975 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 F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Ti 12.00 47.86700 Ti( 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 0.2868853), 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 0.6774194), 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 0.2954546 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 0.3579546 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 0.3461539), 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 0.2538462), 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 0.1961539), 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 0.1886793 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 0.4622642 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 0.5065790), 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 0.3815790 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 0.1704546 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 0.0795455 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 0.0454546 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: 22227 G-vectors FFT dimensions: ( 40, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 170, 34) NL pseudopotentials 0.08 Mb ( 85, 62) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.00 Mb ( 618) G-vector shells 0.00 Mb ( 208) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.35 Mb ( 170, 136) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.06 Mb ( 62, 2, 34) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./TiF2.save/charge-density.dat Starting wfc are 16 randomized atomic wfcs + 18 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.2 secs Computing kpt #: 2 total cpu time spent up to now is 1.5 secs Computing kpt #: 3 total cpu time spent up to now is 1.7 secs Computing kpt #: 4 total cpu time spent up to now is 1.9 secs Computing kpt #: 5 total cpu time spent up to now is 2.2 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 2.6 secs Computing kpt #: 8 total cpu time spent up to now is 2.9 secs Computing kpt #: 9 total cpu time spent up to now is 3.1 secs Computing kpt #: 10 total cpu time spent up to now is 3.3 secs Computing kpt #: 11 total cpu time spent up to now is 3.6 secs Computing kpt #: 12 total cpu time spent up to now is 3.8 secs Computing kpt #: 13 total cpu time spent up to now is 4.0 secs Computing kpt #: 14 total cpu time spent up to now is 4.3 secs Computing kpt #: 15 total cpu time spent up to now is 4.5 secs Computing kpt #: 16 total cpu time spent up to now is 4.8 secs Computing kpt #: 17 total cpu time spent up to now is 5.0 secs Computing kpt #: 18 total cpu time spent up to now is 5.2 secs Computing kpt #: 19 total cpu time spent up to now is 5.4 secs Computing kpt #: 20 total cpu time spent up to now is 5.7 secs Computing kpt #: 21 total cpu time spent up to now is 5.9 secs Computing kpt #: 22 total cpu time spent up to now is 6.1 secs Computing kpt #: 23 total cpu time spent up to now is 6.4 secs Computing kpt #: 24 total cpu time spent up to now is 6.6 secs Computing kpt #: 25 total cpu time spent up to now is 6.8 secs Computing kpt #: 26 total cpu time spent up to now is 7.0 secs Computing kpt #: 27 total cpu time spent up to now is 7.2 secs Computing kpt #: 28 total cpu time spent up to now is 7.4 secs Computing kpt #: 29 total cpu time spent up to now is 7.7 secs Computing kpt #: 30 total cpu time spent up to now is 7.9 secs Computing kpt #: 31 total cpu time spent up to now is 8.1 secs Computing kpt #: 32 total cpu time spent up to now is 8.3 secs Computing kpt #: 33 total cpu time spent up to now is 8.5 secs Computing kpt #: 34 total cpu time spent up to now is 8.8 secs Computing kpt #: 35 total cpu time spent up to now is 9.0 secs Computing kpt #: 36 total cpu time spent up to now is 9.2 secs Computing kpt #: 37 total cpu time spent up to now is 9.4 secs Computing kpt #: 38 total cpu time spent up to now is 9.6 secs Computing kpt #: 39 total cpu time spent up to now is 9.9 secs Computing kpt #: 40 total cpu time spent up to now is 10.1 secs Computing kpt #: 41 total cpu time spent up to now is 10.3 secs Computing kpt #: 42 total cpu time spent up to now is 10.5 secs Computing kpt #: 43 total cpu time spent up to now is 10.7 secs Computing kpt #: 44 total cpu time spent up to now is 10.9 secs Computing kpt #: 45 total cpu time spent up to now is 11.2 secs Computing kpt #: 46 total cpu time spent up to now is 11.4 secs Computing kpt #: 47 total cpu time spent up to now is 11.6 secs Computing kpt #: 48 total cpu time spent up to now is 11.8 secs Computing kpt #: 49 total cpu time spent up to now is 12.1 secs Computing kpt #: 50 total cpu time spent up to now is 12.3 secs Computing kpt #: 51 total cpu time spent up to now is 12.5 secs Computing kpt #: 52 total cpu time spent up to now is 12.7 secs Computing kpt #: 53 total cpu time spent up to now is 13.0 secs Computing kpt #: 54 total cpu time spent up to now is 13.2 secs Computing kpt #: 55 total cpu time spent up to now is 13.4 secs Computing kpt #: 56 total cpu time spent up to now is 13.6 secs Computing kpt #: 57 total cpu time spent up to now is 13.8 secs Computing kpt #: 58 total cpu time spent up to now is 14.0 secs Computing kpt #: 59 total cpu time spent up to now is 14.3 secs Computing kpt #: 60 total cpu time spent up to now is 14.5 secs Computing kpt #: 61 total cpu time spent up to now is 14.7 secs Computing kpt #: 62 total cpu time spent up to now is 14.9 secs Computing kpt #: 63 total cpu time spent up to now is 15.1 secs Computing kpt #: 64 total cpu time spent up to now is 15.3 secs Computing kpt #: 65 total cpu time spent up to now is 15.5 secs Computing kpt #: 66 total cpu time spent up to now is 15.7 secs Computing kpt #: 67 total cpu time spent up to now is 16.0 secs Computing kpt #: 68 total cpu time spent up to now is 16.2 secs Computing kpt #: 69 total cpu time spent up to now is 16.4 secs Computing kpt #: 70 total cpu time spent up to now is 16.6 secs Computing kpt #: 71 total cpu time spent up to now is 16.8 secs Computing kpt #: 72 total cpu time spent up to now is 17.0 secs Computing kpt #: 73 total cpu time spent up to now is 17.2 secs Computing kpt #: 74 total cpu time spent up to now is 17.5 secs Computing kpt #: 75 total cpu time spent up to now is 17.7 secs Computing kpt #: 76 total cpu time spent up to now is 17.9 secs Computing kpt #: 77 total cpu time spent up to now is 18.1 secs Computing kpt #: 78 total cpu time spent up to now is 18.3 secs Computing kpt #: 79 total cpu time spent up to now is 18.5 secs Computing kpt #: 80 total cpu time spent up to now is 18.8 secs Computing kpt #: 81 total cpu time spent up to now is 19.0 secs Computing kpt #: 82 total cpu time spent up to now is 19.2 secs Computing kpt #: 83 total cpu time spent up to now is 19.4 secs Computing kpt #: 84 total cpu time spent up to now is 19.6 secs Computing kpt #: 85 total cpu time spent up to now is 19.8 secs Computing kpt #: 86 total cpu time spent up to now is 20.0 secs Computing kpt #: 87 total cpu time spent up to now is 20.3 secs Computing kpt #: 88 total cpu time spent up to now is 20.5 secs Computing kpt #: 89 total cpu time spent up to now is 20.7 secs Computing kpt #: 90 total cpu time spent up to now is 20.9 secs Computing kpt #: 91 total cpu time spent up to now is 21.1 secs Computing kpt #: 92 total cpu time spent up to now is 21.3 secs Computing kpt #: 93 total cpu time spent up to now is 21.5 secs Computing kpt #: 94 total cpu time spent up to now is 21.7 secs Computing kpt #: 95 total cpu time spent up to now is 21.9 secs Computing kpt #: 96 total cpu time spent up to now is 22.1 secs Computing kpt #: 97 total cpu time spent up to now is 22.3 secs Computing kpt #: 98 total cpu time spent up to now is 22.5 secs Computing kpt #: 99 total cpu time spent up to now is 22.8 secs Computing kpt #: 100 total cpu time spent up to now is 23.0 secs Computing kpt #: 101 total cpu time spent up to now is 23.2 secs Computing kpt #: 102 total cpu time spent up to now is 23.4 secs Computing kpt #: 103 total cpu time spent up to now is 23.6 secs Computing kpt #: 104 total cpu time spent up to now is 23.8 secs Computing kpt #: 105 total cpu time spent up to now is 24.0 secs Computing kpt #: 106 total cpu time spent up to now is 24.2 secs Computing kpt #: 107 total cpu time spent up to now is 24.5 secs Computing kpt #: 108 total cpu time spent up to now is 24.7 secs Computing kpt #: 109 total cpu time spent up to now is 24.9 secs Computing kpt #: 110 total cpu time spent up to now is 25.1 secs Computing kpt #: 111 total cpu time spent up to now is 25.3 secs Computing kpt #: 112 total cpu time spent up to now is 25.5 secs Computing kpt #: 113 total cpu time spent up to now is 25.7 secs Computing kpt #: 114 total cpu time spent up to now is 25.9 secs Computing kpt #: 115 total cpu time spent up to now is 26.2 secs Computing kpt #: 116 total cpu time spent up to now is 26.4 secs Computing kpt #: 117 total cpu time spent up to now is 26.6 secs Computing kpt #: 118 total cpu time spent up to now is 26.8 secs Computing kpt #: 119 total cpu time spent up to now is 27.0 secs Computing kpt #: 120 total cpu time spent up to now is 27.2 secs Computing kpt #: 121 total cpu time spent up to now is 27.4 secs Computing kpt #: 122 total cpu time spent up to now is 27.7 secs Computing kpt #: 123 total cpu time spent up to now is 27.9 secs Computing kpt #: 124 total cpu time spent up to now is 28.1 secs Computing kpt #: 125 total cpu time spent up to now is 28.3 secs Computing kpt #: 126 total cpu time spent up to now is 28.5 secs Computing kpt #: 127 total cpu time spent up to now is 28.7 secs Computing kpt #: 128 total cpu time spent up to now is 29.0 secs Computing kpt #: 129 total cpu time spent up to now is 29.2 secs Computing kpt #: 130 total cpu time spent up to now is 29.4 secs Computing kpt #: 131 total cpu time spent up to now is 29.6 secs Computing kpt #: 132 total cpu time spent up to now is 29.8 secs Computing kpt #: 133 total cpu time spent up to now is 30.0 secs Computing kpt #: 134 total cpu time spent up to now is 30.2 secs Computing kpt #: 135 total cpu time spent up to now is 30.5 secs Computing kpt #: 136 total cpu time spent up to now is 30.7 secs Computing kpt #: 137 total cpu time spent up to now is 30.9 secs Computing kpt #: 138 total cpu time spent up to now is 31.1 secs Computing kpt #: 139 total cpu time spent up to now is 31.3 secs Computing kpt #: 140 total cpu time spent up to now is 31.5 secs Computing kpt #: 141 total cpu time spent up to now is 31.7 secs Computing kpt #: 142 total cpu time spent up to now is 32.0 secs Computing kpt #: 143 total cpu time spent up to now is 32.2 secs Computing kpt #: 144 total cpu time spent up to now is 32.4 secs Computing kpt #: 145 total cpu time spent up to now is 32.6 secs Computing kpt #: 146 total cpu time spent up to now is 32.8 secs Computing kpt #: 147 total cpu time spent up to now is 33.0 secs Computing kpt #: 148 total cpu time spent up to now is 33.3 secs Computing kpt #: 149 total cpu time spent up to now is 33.5 secs Computing kpt #: 150 total cpu time spent up to now is 33.7 secs Computing kpt #: 151 total cpu time spent up to now is 33.9 secs Computing kpt #: 152 total cpu time spent up to now is 34.1 secs Computing kpt #: 153 total cpu time spent up to now is 34.3 secs Computing kpt #: 154 total cpu time spent up to now is 34.6 secs Computing kpt #: 155 total cpu time spent up to now is 34.8 secs Computing kpt #: 156 total cpu time spent up to now is 35.0 secs Computing kpt #: 157 total cpu time spent up to now is 35.2 secs Computing kpt #: 158 total cpu time spent up to now is 35.4 secs Computing kpt #: 159 total cpu time spent up to now is 35.7 secs Computing kpt #: 160 total cpu time spent up to now is 35.9 secs Computing kpt #: 161 total cpu time spent up to now is 36.1 secs Computing kpt #: 162 total cpu time spent up to now is 36.3 secs Computing kpt #: 163 total cpu time spent up to now is 36.6 secs Computing kpt #: 164 total cpu time spent up to now is 36.8 secs Computing kpt #: 165 total cpu time spent up to now is 37.0 secs Computing kpt #: 166 total cpu time spent up to now is 37.2 secs Computing kpt #: 167 total cpu time spent up to now is 37.5 secs Computing kpt #: 168 total cpu time spent up to now is 37.7 secs Computing kpt #: 169 total cpu time spent up to now is 37.9 secs Computing kpt #: 170 total cpu time spent up to now is 38.2 secs Computing kpt #: 171 total cpu time spent up to now is 38.4 secs Computing kpt #: 172 total cpu time spent up to now is 38.6 secs Computing kpt #: 173 total cpu time spent up to now is 38.8 secs Computing kpt #: 174 total cpu time spent up to now is 39.0 secs Computing kpt #: 175 total cpu time spent up to now is 39.2 secs Computing kpt #: 176 total cpu time spent up to now is 39.4 secs Computing kpt #: 177 total cpu time spent up to now is 39.6 secs Computing kpt #: 178 total cpu time spent up to now is 39.8 secs Computing kpt #: 179 total cpu time spent up to now is 40.0 secs Computing kpt #: 180 total cpu time spent up to now is 40.2 secs Computing kpt #: 181 total cpu time spent up to now is 40.4 secs Computing kpt #: 182 total cpu time spent up to now is 40.6 secs Computing kpt #: 183 total cpu time spent up to now is 40.9 secs Computing kpt #: 184 total cpu time spent up to now is 41.1 secs Computing kpt #: 185 total cpu time spent up to now is 41.4 secs Computing kpt #: 186 total cpu time spent up to now is 41.6 secs Computing kpt #: 187 total cpu time spent up to now is 41.8 secs Computing kpt #: 188 total cpu time spent up to now is 42.0 secs Computing kpt #: 189 total cpu time spent up to now is 42.2 secs Computing kpt #: 190 total cpu time spent up to now is 42.4 secs Computing kpt #: 191 total cpu time spent up to now is 42.6 secs Computing kpt #: 192 total cpu time spent up to now is 42.8 secs Computing kpt #: 193 total cpu time spent up to now is 43.0 secs Computing kpt #: 194 total cpu time spent up to now is 43.2 secs Computing kpt #: 195 total cpu time spent up to now is 43.4 secs Computing kpt #: 196 total cpu time spent up to now is 43.7 secs Computing kpt #: 197 total cpu time spent up to now is 43.9 secs Computing kpt #: 198 total cpu time spent up to now is 44.1 secs Computing kpt #: 199 total cpu time spent up to now is 44.4 secs Computing kpt #: 200 total cpu time spent up to now is 44.6 secs Computing kpt #: 201 total cpu time spent up to now is 44.9 secs Computing kpt #: 202 total cpu time spent up to now is 45.1 secs Computing kpt #: 203 total cpu time spent up to now is 45.3 secs Computing kpt #: 204 total cpu time spent up to now is 45.6 secs Computing kpt #: 205 total cpu time spent up to now is 45.8 secs Computing kpt #: 206 total cpu time spent up to now is 46.0 secs Computing kpt #: 207 total cpu time spent up to now is 46.2 secs Computing kpt #: 208 total cpu time spent up to now is 46.4 secs Computing kpt #: 209 total cpu time spent up to now is 46.7 secs Computing kpt #: 210 total cpu time spent up to now is 46.9 secs Computing kpt #: 211 total cpu time spent up to now is 47.1 secs Computing kpt #: 212 total cpu time spent up to now is 47.3 secs Computing kpt #: 213 total cpu time spent up to now is 47.5 secs Computing kpt #: 214 total cpu time spent up to now is 47.7 secs Computing kpt #: 215 total cpu time spent up to now is 48.0 secs Computing kpt #: 216 total cpu time spent up to now is 48.2 secs Computing kpt #: 217 total cpu time spent up to now is 48.4 secs Computing kpt #: 218 total cpu time spent up to now is 48.6 secs Computing kpt #: 219 total cpu time spent up to now is 48.8 secs Computing kpt #: 220 total cpu time spent up to now is 49.0 secs Computing kpt #: 221 total cpu time spent up to now is 49.2 secs Computing kpt #: 222 total cpu time spent up to now is 49.5 secs Computing kpt #: 223 total cpu time spent up to now is 49.7 secs Computing kpt #: 224 total cpu time spent up to now is 49.9 secs Computing kpt #: 225 total cpu time spent up to now is 50.1 secs Computing kpt #: 226 total cpu time spent up to now is 50.3 secs Computing kpt #: 227 total cpu time spent up to now is 50.5 secs Computing kpt #: 228 total cpu time spent up to now is 50.7 secs Computing kpt #: 229 total cpu time spent up to now is 50.9 secs Computing kpt #: 230 total cpu time spent up to now is 51.2 secs Computing kpt #: 231 total cpu time spent up to now is 51.4 secs Computing kpt #: 232 total cpu time spent up to now is 51.6 secs Computing kpt #: 233 total cpu time spent up to now is 51.8 secs Computing kpt #: 234 total cpu time spent up to now is 52.0 secs Computing kpt #: 235 total cpu time spent up to now is 52.2 secs Computing kpt #: 236 total cpu time spent up to now is 52.4 secs Computing kpt #: 237 total cpu time spent up to now is 52.6 secs Computing kpt #: 238 total cpu time spent up to now is 52.9 secs Computing kpt #: 239 total cpu time spent up to now is 53.1 secs Computing kpt #: 240 total cpu time spent up to now is 53.3 secs Computing kpt #: 241 total cpu time spent up to now is 53.5 secs Computing kpt #: 242 total cpu time spent up to now is 53.7 secs Computing kpt #: 243 total cpu time spent up to now is 53.9 secs Computing kpt #: 244 total cpu time spent up to now is 54.1 secs Computing kpt #: 245 total cpu time spent up to now is 54.3 secs Computing kpt #: 246 total cpu time spent up to now is 54.6 secs Computing kpt #: 247 total cpu time spent up to now is 54.8 secs Computing kpt #: 248 total cpu time spent up to now is 55.0 secs Computing kpt #: 249 total cpu time spent up to now is 55.2 secs Computing kpt #: 250 total cpu time spent up to now is 55.4 secs Computing kpt #: 251 total cpu time spent up to now is 55.6 secs Computing kpt #: 252 total cpu time spent up to now is 55.8 secs Computing kpt #: 253 total cpu time spent up to now is 56.0 secs Computing kpt #: 254 total cpu time spent up to now is 56.3 secs Computing kpt #: 255 total cpu time spent up to now is 56.5 secs Computing kpt #: 256 total cpu time spent up to now is 56.7 secs Computing kpt #: 257 total cpu time spent up to now is 56.9 secs Computing kpt #: 258 total cpu time spent up to now is 57.1 secs Computing kpt #: 259 total cpu time spent up to now is 57.3 secs Computing kpt #: 260 total cpu time spent up to now is 57.5 secs Computing kpt #: 261 total cpu time spent up to now is 57.7 secs Computing kpt #: 262 total cpu time spent up to now is 57.9 secs Computing kpt #: 263 total cpu time spent up to now is 58.1 secs Computing kpt #: 264 total cpu time spent up to now is 58.4 secs Computing kpt #: 265 total cpu time spent up to now is 58.6 secs Computing kpt #: 266 total cpu time spent up to now is 58.8 secs Computing kpt #: 267 total cpu time spent up to now is 59.0 secs Computing kpt #: 268 total cpu time spent up to now is 59.2 secs Computing kpt #: 269 total cpu time spent up to now is 59.4 secs Computing kpt #: 270 total cpu time spent up to now is 59.7 secs Computing kpt #: 271 total cpu time spent up to now is 59.9 secs Computing kpt #: 272 total cpu time spent up to now is 60.1 secs Computing kpt #: 273 total cpu time spent up to now is 60.3 secs Computing kpt #: 274 total cpu time spent up to now is 60.5 secs Computing kpt #: 275 total cpu time spent up to now is 60.7 secs Computing kpt #: 276 total cpu time spent up to now is 60.9 secs Computing kpt #: 277 total cpu time spent up to now is 61.2 secs Computing kpt #: 278 total cpu time spent up to now is 61.4 secs Computing kpt #: 279 total cpu time spent up to now is 61.6 secs Computing kpt #: 280 total cpu time spent up to now is 61.8 secs Computing kpt #: 281 total cpu time spent up to now is 62.0 secs Computing kpt #: 282 total cpu time spent up to now is 62.2 secs Computing kpt #: 283 total cpu time spent up to now is 62.5 secs Computing kpt #: 284 total cpu time spent up to now is 62.8 secs Computing kpt #: 285 total cpu time spent up to now is 63.0 secs Computing kpt #: 286 total cpu time spent up to now is 63.2 secs Computing kpt #: 287 total cpu time spent up to now is 63.4 secs Computing kpt #: 288 total cpu time spent up to now is 63.6 secs Computing kpt #: 289 total cpu time spent up to now is 63.8 secs Computing kpt #: 290 total cpu time spent up to now is 64.0 secs Computing kpt #: 291 total cpu time spent up to now is 64.2 secs Computing kpt #: 292 total cpu time spent up to now is 64.4 secs Computing kpt #: 293 total cpu time spent up to now is 64.7 secs Computing kpt #: 294 total cpu time spent up to now is 64.9 secs Computing kpt #: 295 total cpu time spent up to now is 65.1 secs Computing kpt #: 296 total cpu time spent up to now is 65.3 secs Computing kpt #: 297 total cpu time spent up to now is 65.5 secs Computing kpt #: 298 total cpu time spent up to now is 65.7 secs Computing kpt #: 299 total cpu time spent up to now is 65.9 secs Computing kpt #: 300 total cpu time spent up to now is 66.1 secs Computing kpt #: 301 total cpu time spent up to now is 66.3 secs Computing kpt #: 302 total cpu time spent up to now is 66.5 secs Computing kpt #: 303 total cpu time spent up to now is 66.7 secs Computing kpt #: 304 total cpu time spent up to now is 66.9 secs Computing kpt #: 305 total cpu time spent up to now is 67.1 secs Computing kpt #: 306 total cpu time spent up to now is 67.3 secs Computing kpt #: 307 total cpu time spent up to now is 67.5 secs Computing kpt #: 308 total cpu time spent up to now is 67.8 secs Computing kpt #: 309 total cpu time spent up to now is 68.0 secs Computing kpt #: 310 total cpu time spent up to now is 68.2 secs Computing kpt #: 311 total cpu time spent up to now is 68.4 secs Computing kpt #: 312 total cpu time spent up to now is 68.6 secs Computing kpt #: 313 total cpu time spent up to now is 68.8 secs Computing kpt #: 314 total cpu time spent up to now is 69.0 secs Computing kpt #: 315 total cpu time spent up to now is 69.3 secs Computing kpt #: 316 total cpu time spent up to now is 69.5 secs Computing kpt #: 317 total cpu time spent up to now is 69.7 secs Computing kpt #: 318 total cpu time spent up to now is 69.9 secs Computing kpt #: 319 total cpu time spent up to now is 70.1 secs Computing kpt #: 320 total cpu time spent up to now is 70.3 secs Computing kpt #: 321 total cpu time spent up to now is 70.5 secs Computing kpt #: 322 total cpu time spent up to now is 70.7 secs Computing kpt #: 323 total cpu time spent up to now is 70.9 secs Computing kpt #: 324 total cpu time spent up to now is 71.2 secs Computing kpt #: 325 total cpu time spent up to now is 71.4 secs Computing kpt #: 326 total cpu time spent up to now is 71.6 secs Computing kpt #: 327 total cpu time spent up to now is 71.8 secs Computing kpt #: 328 total cpu time spent up to now is 72.0 secs Computing kpt #: 329 total cpu time spent up to now is 72.2 secs Computing kpt #: 330 total cpu time spent up to now is 72.4 secs Computing kpt #: 331 total cpu time spent up to now is 72.6 secs Computing kpt #: 332 total cpu time spent up to now is 72.8 secs Computing kpt #: 333 total cpu time spent up to now is 73.1 secs Computing kpt #: 334 total cpu time spent up to now is 73.3 secs Computing kpt #: 335 total cpu time spent up to now is 73.5 secs Computing kpt #: 336 total cpu time spent up to now is 73.7 secs Computing kpt #: 337 total cpu time spent up to now is 73.9 secs Computing kpt #: 338 total cpu time spent up to now is 74.1 secs Computing kpt #: 339 total cpu time spent up to now is 74.3 secs Computing kpt #: 340 total cpu time spent up to now is 74.6 secs Computing kpt #: 341 total cpu time spent up to now is 74.8 secs Computing kpt #: 342 total cpu time spent up to now is 75.0 secs Computing kpt #: 343 total cpu time spent up to now is 75.2 secs Computing kpt #: 344 total cpu time spent up to now is 75.4 secs Computing kpt #: 345 total cpu time spent up to now is 75.6 secs Computing kpt #: 346 total cpu time spent up to now is 75.8 secs Computing kpt #: 347 total cpu time spent up to now is 76.1 secs Computing kpt #: 348 total cpu time spent up to now is 76.3 secs Computing kpt #: 349 total cpu time spent up to now is 76.5 secs Computing kpt #: 350 total cpu time spent up to now is 76.7 secs Computing kpt #: 351 total cpu time spent up to now is 76.9 secs Computing kpt #: 352 total cpu time spent up to now is 77.1 secs Computing kpt #: 353 total cpu time spent up to now is 77.3 secs Computing kpt #: 354 total cpu time spent up to now is 77.5 secs Computing kpt #: 355 total cpu time spent up to now is 77.7 secs Computing kpt #: 356 total cpu time spent up to now is 78.0 secs Computing kpt #: 357 total cpu time spent up to now is 78.2 secs Computing kpt #: 358 total cpu time spent up to now is 78.4 secs Computing kpt #: 359 total cpu time spent up to now is 78.6 secs Computing kpt #: 360 total cpu time spent up to now is 78.8 secs Computing kpt #: 361 total cpu time spent up to now is 79.0 secs Computing kpt #: 362 total cpu time spent up to now is 79.2 secs Computing kpt #: 363 total cpu time spent up to now is 79.4 secs Computing kpt #: 364 total cpu time spent up to now is 79.6 secs Computing kpt #: 365 total cpu time spent up to now is 79.9 secs Computing kpt #: 366 total cpu time spent up to now is 80.1 secs Computing kpt #: 367 total cpu time spent up to now is 80.3 secs Computing kpt #: 368 total cpu time spent up to now is 80.5 secs Computing kpt #: 369 total cpu time spent up to now is 80.7 secs Computing kpt #: 370 total cpu time spent up to now is 80.9 secs Computing kpt #: 371 total cpu time spent up to now is 81.1 secs Computing kpt #: 372 total cpu time spent up to now is 81.3 secs Computing kpt #: 373 total cpu time spent up to now is 81.5 secs Computing kpt #: 374 total cpu time spent up to now is 81.8 secs Computing kpt #: 375 total cpu time spent up to now is 82.0 secs Computing kpt #: 376 total cpu time spent up to now is 82.2 secs Computing kpt #: 377 total cpu time spent up to now is 82.4 secs Computing kpt #: 378 total cpu time spent up to now is 82.6 secs Computing kpt #: 379 total cpu time spent up to now is 82.8 secs Computing kpt #: 380 total cpu time spent up to now is 83.1 secs Computing kpt #: 381 total cpu time spent up to now is 83.3 secs Computing kpt #: 382 total cpu time spent up to now is 83.5 secs Computing kpt #: 383 total cpu time spent up to now is 83.7 secs Computing kpt #: 384 total cpu time spent up to now is 83.9 secs Computing kpt #: 385 total cpu time spent up to now is 84.1 secs Computing kpt #: 386 total cpu time spent up to now is 84.3 secs Computing kpt #: 387 total cpu time spent up to now is 84.6 secs Computing kpt #: 388 total cpu time spent up to now is 84.8 secs Computing kpt #: 389 total cpu time spent up to now is 85.0 secs Computing kpt #: 390 total cpu time spent up to now is 85.2 secs Computing kpt #: 391 total cpu time spent up to now is 85.4 secs Computing kpt #: 392 total cpu time spent up to now is 85.6 secs Computing kpt #: 393 total cpu time spent up to now is 85.8 secs Computing kpt #: 394 total cpu time spent up to now is 86.1 secs Computing kpt #: 395 total cpu time spent up to now is 86.3 secs Computing kpt #: 396 total cpu time spent up to now is 86.5 secs Computing kpt #: 397 total cpu time spent up to now is 86.7 secs Computing kpt #: 398 total cpu time spent up to now is 86.9 secs Computing kpt #: 399 total cpu time spent up to now is 87.1 secs Computing kpt #: 400 total cpu time spent up to now is 87.3 secs Computing kpt #: 401 total cpu time spent up to now is 87.6 secs Computing kpt #: 402 total cpu time spent up to now is 87.8 secs Computing kpt #: 403 total cpu time spent up to now is 88.0 secs Computing kpt #: 404 total cpu time spent up to now is 88.2 secs Computing kpt #: 405 total cpu time spent up to now is 88.4 secs Computing kpt #: 406 total cpu time spent up to now is 88.6 secs ethr = 3.85E-08, avg # of iterations = 13.4 total cpu time spent up to now is 88.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2741 PWs) bands (ev): -46.4908 -46.4908 -23.1771 -23.1771 -22.5227 -22.5227 -22.5226 -22.5226 -15.5671 -15.5671 -14.2629 -14.2629 2.2571 2.2571 2.3024 2.3024 2.3024 2.3024 4.5954 4.5954 4.6649 4.6649 4.6649 4.6649 11.6544 11.6544 11.6544 11.6544 12.2515 12.2515 13.7777 13.7777 13.7777 13.7777 k = 0.0082-0.0047 0.0067 ( 2741 PWs) bands (ev): -46.4908 -46.4908 -23.1772 -23.1772 -22.5228 -22.5228 -22.5227 -22.5227 -15.5666 -15.5666 -14.2633 -14.2633 2.2577 2.2577 2.3025 2.3025 2.3035 2.3035 4.5945 4.5945 4.6630 4.6630 4.6649 4.6649 11.6547 11.6547 11.6548 11.6548 12.2544 12.2544 13.7771 13.7771 13.7771 13.7771 k = 0.0164-0.0095 0.0134 ( 2737 PWs) bands (ev): -46.4908 -46.4908 -23.1773 -23.1773 -22.5231 -22.5231 -22.5227 -22.5227 -15.5651 -15.5651 -14.2642 -14.2642 2.2594 2.2594 2.3029 2.3029 2.3068 2.3068 4.5912 4.5912 4.6576 4.6576 4.6651 4.6651 11.6556 11.6556 11.6559 11.6559 12.2630 12.2630 13.7752 13.7752 13.7753 13.7753 k = 0.0246-0.0142 0.0201 ( 2737 PWs) bands (ev): -46.4907 -46.4907 -23.1776 -23.1776 -22.5236 -22.5236 -22.5229 -22.5229 -15.5626 -15.5626 -14.2659 -14.2659 2.2619 2.2619 2.3036 2.3036 2.3127 2.3127 4.5845 4.5845 4.6499 4.6499 4.6653 4.6653 11.6570 11.6570 11.6577 11.6577 12.2773 12.2773 13.7720 13.7720 13.7724 13.7724 k = 0.0328-0.0189 0.0268 ( 2737 PWs) bands (ev): -46.4907 -46.4907 -23.1780 -23.1780 -22.5244 -22.5244 -22.5231 -22.5231 -15.5592 -15.5592 -14.2681 -14.2681 2.2647 2.2647 2.3045 2.3045 2.3215 2.3215 4.5724 4.5724 4.6419 4.6419 4.6656 4.6656 11.6590 11.6590 11.6603 11.6603 12.2971 12.2971 13.7676 13.7676 13.7683 13.7683 k = 0.0410-0.0237 0.0335 ( 2737 PWs) bands (ev): -46.4906 -46.4906 -23.1786 -23.1786 -22.5253 -22.5253 -22.5233 -22.5233 -15.5547 -15.5547 -14.2710 -14.2710 2.2678 2.2678 2.3057 2.3057 2.3334 2.3334 4.5532 4.5532 4.6356 4.6356 4.6659 4.6659 11.6614 11.6614 11.6635 11.6635 12.3226 12.3226 13.7619 13.7619 13.7630 13.7630 k = 0.0492-0.0284 0.0402 ( 2737 PWs) bands (ev): -46.4905 -46.4905 -23.1792 -23.1792 -22.5265 -22.5265 -22.5236 -22.5236 -15.5494 -15.5494 -14.2745 -14.2745 2.2708 2.2708 2.3071 2.3071 2.3486 2.3486 4.5266 4.5266 4.6313 4.6313 4.6663 4.6663 11.6643 11.6643 11.6675 11.6675 12.3534 12.3534 13.7549 13.7549 13.7567 13.7567 k = 0.0574-0.0331 0.0468 ( 2745 PWs) bands (ev): -46.4904 -46.4904 -23.1800 -23.1800 -22.5279 -22.5279 -22.5239 -22.5239 -15.5430 -15.5430 -14.2787 -14.2787 2.2738 2.2738 2.3088 2.3088 2.3670 2.3670 4.4931 4.4931 4.6288 4.6288 4.6668 4.6668 11.6676 11.6676 11.6722 11.6722 12.3894 12.3894 13.7467 13.7467 13.7493 13.7493 k = 0.0656-0.0379 0.0535 ( 2753 PWs) bands (ev): -46.4903 -46.4903 -23.1808 -23.1808 -22.5295 -22.5295 -22.5243 -22.5243 -15.5358 -15.5358 -14.2834 -14.2834 2.2769 2.2769 2.3108 2.3108 2.3887 2.3887 4.4536 4.4536 4.6274 4.6274 4.6673 4.6673 11.6712 11.6712 11.6776 11.6776 12.4306 12.4306 13.7372 13.7372 13.7408 13.7408 k = 0.0738-0.0426 0.0602 ( 2754 PWs) bands (ev): -46.4901 -46.4901 -23.1818 -23.1818 -22.5312 -22.5312 -22.5247 -22.5247 -15.5276 -15.5276 -14.2887 -14.2887 2.2800 2.2800 2.3131 2.3131 2.4135 2.4135 4.4087 4.4087 4.6266 4.6266 4.6678 4.6678 11.6751 11.6751 11.6837 11.6837 12.4768 12.4768 13.7264 13.7264 13.7313 13.7313 k = 0.0820-0.0473 0.0669 ( 2762 PWs) bands (ev): -46.4900 -46.4900 -23.1829 -23.1829 -22.5332 -22.5332 -22.5252 -22.5252 -15.5185 -15.5185 -14.2946 -14.2946 2.2833 2.2833 2.3156 2.3156 2.4413 2.4413 4.3589 4.3589 4.6262 4.6262 4.6684 4.6684 11.6791 11.6791 11.6904 11.6904 12.5276 12.5276 13.7143 13.7143 13.7209 13.7209 k = 0.0902-0.0521 0.0736 ( 2762 PWs) bands (ev): -46.4898 -46.4898 -23.1841 -23.1841 -22.5353 -22.5353 -22.5257 -22.5257 -15.5086 -15.5086 -14.3010 -14.3010 2.2867 2.2867 2.3184 2.3184 2.4720 2.4720 4.3047 4.3047 4.6261 4.6261 4.6689 4.6689 11.6833 11.6833 11.6978 11.6978 12.5831 12.5831 13.7009 13.7009 13.7096 13.7096 k = 0.0984-0.0568 0.0803 ( 2770 PWs) bands (ev): -46.4896 -46.4896 -23.1854 -23.1854 -22.5376 -22.5376 -22.5263 -22.5263 -15.4978 -15.4978 -14.3080 -14.3080 2.2903 2.2903 2.3216 2.3216 2.5056 2.5056 4.2464 4.2464 4.6262 4.6262 4.6694 4.6694 11.6875 11.6875 11.7059 11.7059 12.6429 12.6429 13.6861 13.6861 13.6975 13.6975 k = 0.1066-0.0615 0.0870 ( 2766 PWs) bands (ev): -46.4894 -46.4894 -23.1868 -23.1868 -22.5401 -22.5401 -22.5269 -22.5269 -15.4862 -15.4862 -14.3154 -14.3154 2.2942 2.2942 2.3250 2.3250 2.5419 2.5419 4.1843 4.1843 4.6263 4.6263 4.6698 4.6698 11.6916 11.6916 11.7145 11.7145 12.7069 12.7069 13.6701 13.6701 13.6845 13.6845 k = 0.1148-0.0663 0.0937 ( 2766 PWs) bands (ev): -46.4892 -46.4892 -23.1883 -23.1883 -22.5427 -22.5427 -22.5275 -22.5275 -15.4738 -15.4738 -14.3234 -14.3234 2.2983 2.2983 2.3287 2.3287 2.5810 2.5810 4.1189 4.1189 4.6265 4.6265 4.6702 4.6702 11.6956 11.6956 11.7238 11.7238 12.7749 12.7749 13.6528 13.6528 13.6708 13.6708 k = 0.1230-0.0710 0.1004 ( 2766 PWs) bands (ev): -46.4890 -46.4890 -23.1899 -23.1899 -22.5455 -22.5455 -22.5282 -22.5282 -15.4606 -15.4606 -14.3318 -14.3318 2.3027 2.3027 2.3326 2.3326 2.6226 2.6226 4.0504 4.0504 4.6266 4.6266 4.6705 4.6705 11.6994 11.6994 11.7336 11.7336 12.8467 12.8467 13.6341 13.6341 13.6565 13.6565 k = 0.1311-0.0757 0.1071 ( 2766 PWs) bands (ev): -46.4887 -46.4887 -23.1915 -23.1915 -22.5484 -22.5484 -22.5289 -22.5289 -15.4467 -15.4467 -14.3407 -14.3407 2.3074 2.3074 2.3369 2.3369 2.6668 2.6668 3.9792 3.9792 4.6267 4.6267 4.6707 4.6707 11.7030 11.7030 11.7440 11.7440 12.9222 12.9222 13.6141 13.6141 13.6415 13.6415 k = 0.1393-0.0805 0.1138 ( 2786 PWs) bands (ev): -46.4885 -46.4885 -23.1933 -23.1933 -22.5514 -22.5514 -22.5297 -22.5297 -15.4321 -15.4321 -14.3499 -14.3499 2.3123 2.3123 2.3415 2.3415 2.7134 2.7134 3.9055 3.9055 4.6267 4.6267 4.6708 4.6708 11.7061 11.7061 11.7550 11.7550 13.0011 13.0011 13.5928 13.5928 13.6260 13.6260 k = 0.1475-0.0852 0.1205 ( 2778 PWs) bands (ev): -46.4882 -46.4882 -23.1951 -23.1951 -22.5545 -22.5545 -22.5305 -22.5305 -15.4169 -15.4169 -14.3596 -14.3596 2.3175 2.3175 2.3464 2.3464 2.7623 2.7623 3.8297 3.8297 4.6266 4.6266 4.6707 4.6707 11.7088 11.7088 11.7664 11.7664 13.0834 13.0834 13.5702 13.5702 13.6101 13.6101 k = 0.1557-0.0899 0.1272 ( 2778 PWs) bands (ev): -46.4880 -46.4880 -23.1970 -23.1970 -22.5578 -22.5578 -22.5313 -22.5313 -15.4010 -15.4010 -14.3695 -14.3695 2.3231 2.3231 2.3516 2.3516 2.8135 2.8135 3.7520 3.7520 4.6263 4.6263 4.6705 4.6705 11.7110 11.7110 11.7783 11.7783 13.1688 13.1688 13.5464 13.5464 13.5937 13.5937 k = 0.1639-0.0946 0.1339 ( 2786 PWs) bands (ev): -46.4877 -46.4877 -23.1990 -23.1990 -22.5611 -22.5611 -22.5322 -22.5322 -15.3845 -15.3845 -14.3799 -14.3799 2.3289 2.3289 2.3571 2.3571 2.8669 2.8669 3.6727 3.6727 4.6259 4.6259 4.6700 4.6700 11.7125 11.7125 11.7907 11.7907 13.2573 13.2573 13.5212 13.5212 13.5769 13.5770 k = 0.1721-0.0994 0.1405 ( 2778 PWs) bands (ev): -46.4874 -46.4874 -23.2011 -23.2011 -22.5646 -22.5646 -22.5330 -22.5330 -15.3676 -15.3676 -14.3905 -14.3905 2.3350 2.3350 2.3629 2.3629 2.9224 2.9224 3.5921 3.5921 4.6253 4.6253 4.6694 4.6694 11.7135 11.7135 11.8035 11.8035 13.3487 13.3487 13.4949 13.4949 13.5599 13.5599 k = 0.1803-0.1041 0.1472 ( 2778 PWs) bands (ev): -46.4871 -46.4871 -23.2032 -23.2032 -22.5681 -22.5681 -22.5339 -22.5339 -15.3501 -15.3501 -14.4013 -14.4013 2.3414 2.3414 2.3689 2.3689 2.9798 2.9798 3.5105 3.5105 4.6245 4.6245 4.6685 4.6685 11.7137 11.7137 11.8167 11.8167 13.4430 13.4430 13.4673 13.4673 13.5427 13.5428 k = 0.1885-0.1088 0.1539 ( 2778 PWs) bands (ev): -46.4868 -46.4868 -23.2054 -23.2054 -22.5716 -22.5716 -22.5349 -22.5349 -15.3321 -15.3321 -14.4124 -14.4124 2.3481 2.3481 2.3753 2.3753 3.0391 3.0391 3.4281 3.4281 4.6235 4.6235 4.6675 4.6675 11.7132 11.7132 11.8303 11.8303 13.4386 13.4386 13.5251 13.5251 13.5403 13.5406 k = 0.1967-0.1136 0.1606 ( 2790 PWs) bands (ev): -46.4865 -46.4865 -23.2076 -23.2076 -22.5752 -22.5752 -22.5358 -22.5358 -15.3138 -15.3138 -14.4237 -14.4237 2.3551 2.3551 2.3820 2.3820 3.1001 3.1001 3.3452 3.3452 4.6222 4.6222 4.6661 4.6661 11.7119 11.7119 11.8442 11.8442 13.4086 13.4086 13.5078 13.5078 13.5259 13.5259 k = 0.2049-0.1183 0.1673 ( 2790 PWs) bands (ev): -46.4862 -46.4862 -23.2099 -23.2099 -22.5789 -22.5789 -22.5368 -22.5368 -15.2950 -15.2950 -14.4352 -14.4352 2.3623 2.3623 2.3889 2.3889 3.1627 3.1627 3.2619 3.2619 4.6207 4.6207 4.6645 4.6645 11.7097 11.7097 11.8584 11.8584 13.3776 13.3776 13.4903 13.4903 13.5087 13.5087 k = 0.2131-0.1230 0.1740 ( 2802 PWs) bands (ev): -46.4858 -46.4858 -23.2122 -23.2122 -22.5826 -22.5826 -22.5378 -22.5378 -15.2760 -15.2760 -14.4468 -14.4468 2.3699 2.3699 2.3961 2.3961 3.1786 3.1786 3.2268 3.2268 4.6189 4.6189 4.6626 4.6626 11.7067 11.7067 11.8729 11.8729 13.3455 13.3455 13.4728 13.4728 13.4915 13.4915 k = 0.2213-0.1278 0.1807 ( 2802 PWs) bands (ev): -46.4855 -46.4855 -23.2146 -23.2146 -22.5863 -22.5863 -22.5387 -22.5387 -15.2567 -15.2567 -14.4585 -14.4585 2.3777 2.3777 2.4036 2.4036 3.0953 3.0953 3.2923 3.2923 4.6168 4.6168 4.6604 4.6604 11.7028 11.7028 11.8875 11.8875 13.3123 13.3123 13.4554 13.4554 13.4744 13.4744 k = 0.2295-0.1325 0.1874 ( 2802 PWs) bands (ev): -46.4852 -46.4852 -23.2170 -23.2170 -22.5900 -22.5900 -22.5397 -22.5397 -15.2372 -15.2372 -14.4703 -14.4703 2.3857 2.3857 2.4114 2.4114 3.0124 3.0124 3.3590 3.3590 4.6144 4.6144 4.6580 4.6580 11.6981 11.6981 11.9024 11.9024 13.2781 13.2781 13.4381 13.4381 13.4575 13.4575 k = 0.2377-0.1372 0.1941 ( 2802 PWs) bands (ev): -46.4849 -46.4849 -23.2194 -23.2194 -22.5937 -22.5937 -22.5408 -22.5408 -15.2175 -15.2175 -14.4821 -14.4821 2.3940 2.3940 2.4194 2.4194 2.9301 2.9301 3.4268 3.4268 4.6118 4.6118 4.6552 4.6552 11.6925 11.6925 11.9174 11.9174 13.2430 13.2430 13.4210 13.4210 13.4407 13.4407 k = 0.2459-0.1420 0.2008 ( 2810 PWs) bands (ev): -46.4845 -46.4845 -23.2218 -23.2218 -22.5974 -22.5974 -22.5418 -22.5418 -15.1977 -15.1977 -14.4940 -14.4940 2.4025 2.4025 2.4276 2.4276 2.8484 2.8484 3.4956 3.4956 4.6088 4.6088 4.6522 4.6522 11.6861 11.6861 11.9326 11.9326 13.2069 13.2069 13.4041 13.4041 13.4241 13.4241 k = 0.2541-0.1467 0.2075 ( 2810 PWs) bands (ev): -46.4842 -46.4842 -23.2242 -23.2242 -22.6011 -22.6011 -22.5428 -22.5428 -15.1779 -15.1779 -14.5058 -14.5058 2.4112 2.4112 2.4360 2.4360 2.7676 2.7676 3.5651 3.5651 4.6056 4.6056 4.6488 4.6488 11.6789 11.6789 11.9478 11.9478 13.1701 13.1701 13.3875 13.3875 13.4078 13.4078 k = 0.2623-0.1514 0.2142 ( 2810 PWs) bands (ev): -46.4839 -46.4839 -23.2266 -23.2266 -22.6048 -22.6048 -22.5438 -22.5438 -15.1580 -15.1580 -14.5175 -14.5175 2.4202 2.4202 2.4446 2.4446 2.6879 2.6879 3.6353 3.6353 4.6020 4.6020 4.6452 4.6452 11.6709 11.6709 11.9630 11.9630 13.1325 13.1325 13.3712 13.3712 13.3919 13.3919 k = 0.2705-0.1562 0.2209 ( 2810 PWs) bands (ev): -46.4835 -46.4835 -23.2291 -23.2291 -22.6084 -22.6084 -22.5448 -22.5448 -15.1382 -15.1382 -14.5292 -14.5292 2.4292 2.4292 2.4534 2.4534 2.6094 2.6094 3.7059 3.7059 4.5982 4.5982 4.6412 4.6412 11.6622 11.6622 11.9782 11.9782 13.0942 13.0942 13.3553 13.3553 13.3762 13.3762 k = 0.2787-0.1609 0.2275 ( 2810 PWs) bands (ev): -46.4832 -46.4832 -23.2315 -23.2315 -22.6120 -22.6120 -22.5458 -22.5458 -15.1184 -15.1184 -14.5407 -14.5407 2.4385 2.4385 2.4623 2.4623 2.5323 2.5323 3.7768 3.7768 4.5941 4.5941 4.6370 4.6370 11.6528 11.6528 11.9934 11.9934 13.0554 13.0554 13.3397 13.3397 13.3610 13.3610 k = 0.2869-0.1656 0.2342 ( 2810 PWs) bands (ev): -46.4829 -46.4829 -23.2339 -23.2339 -22.6155 -22.6155 -22.5468 -22.5468 -15.0988 -15.0988 -14.5522 -14.5522 2.4478 2.4478 2.4567 2.4567 2.4714 2.4714 3.8479 3.8479 4.5898 4.5898 4.6326 4.6326 11.6428 11.6428 12.0085 12.0085 13.0160 13.0160 13.3245 13.3245 13.3461 13.3461 k = 0.2951-0.1704 0.2409 ( 2810 PWs) bands (ev): -46.4825 -46.4825 -23.2363 -23.2363 -22.6189 -22.6189 -22.5478 -22.5478 -15.0794 -15.0794 -14.5634 -14.5634 2.3828 2.3828 2.4573 2.4573 2.4806 2.4806 3.9189 3.9189 4.5852 4.5852 4.6279 4.6279 11.6322 11.6322 12.0235 12.0235 12.9762 12.9762 13.3098 13.3098 13.3317 13.3317 k = 0.3033-0.1751 0.2476 ( 2802 PWs) bands (ev): -46.4822 -46.4822 -23.2386 -23.2386 -22.6223 -22.6223 -22.5487 -22.5487 -15.0603 -15.0603 -14.5744 -14.5744 2.3108 2.3108 2.4668 2.4668 2.4898 2.4898 3.9896 3.9896 4.5803 4.5803 4.6229 4.6229 11.6212 11.6212 12.0383 12.0383 12.9362 12.9362 13.2956 13.2956 13.3178 13.3178 k = 0.3115-0.1798 0.2543 ( 2810 PWs) bands (ev): -46.4819 -46.4819 -23.2409 -23.2409 -22.6256 -22.6256 -22.5497 -22.5497 -15.0414 -15.0414 -14.5852 -14.5852 2.2407 2.2407 2.4763 2.4763 2.4991 2.4991 4.0599 4.0599 4.5753 4.5753 4.6178 4.6178 11.6098 11.6098 12.0528 12.0528 12.8959 12.8959 13.2818 13.2818 13.3043 13.3043 k = 0.3197-0.1846 0.2610 ( 2810 PWs) bands (ev): -46.4816 -46.4816 -23.2432 -23.2432 -22.6288 -22.6288 -22.5506 -22.5506 -15.0229 -15.0229 -14.5958 -14.5958 2.1726 2.1726 2.4859 2.4859 2.5084 2.5084 4.1295 4.1295 4.5701 4.5701 4.6125 4.6125 11.5980 11.5980 12.0671 12.0671 12.8557 12.8557 13.2686 13.2686 13.2914 13.2914 k = 0.3279-0.1893 0.2677 ( 2810 PWs) bands (ev): -46.4813 -46.4813 -23.2454 -23.2454 -22.6319 -22.6319 -22.5515 -22.5515 -15.0048 -15.0048 -14.6061 -14.6061 2.1067 2.1067 2.4954 2.4954 2.5177 2.5177 4.1983 4.1983 4.5647 4.5647 4.6070 4.6070 11.5860 11.5860 12.0812 12.0812 12.8155 12.8155 13.2559 13.2559 13.2790 13.2790 k = 0.3361-0.1940 0.2744 ( 2802 PWs) bands (ev): -46.4810 -46.4810 -23.2476 -23.2476 -22.6349 -22.6349 -22.5524 -22.5524 -14.9872 -14.9872 -14.6160 -14.6160 2.0432 2.0432 2.5049 2.5049 2.5269 2.5269 4.2660 4.2660 4.5593 4.5593 4.6015 4.6015 11.5739 11.5739 12.0948 12.0948 12.7755 12.7755 13.2437 13.2437 13.2671 13.2671 k = 0.3443-0.1988 0.2811 ( 2810 PWs) bands (ev): -46.4807 -46.4807 -23.2497 -23.2497 -22.6378 -22.6378 -22.5532 -22.5532 -14.9701 -14.9701 -14.6257 -14.6257 1.9820 1.9820 2.5142 2.5142 2.5361 2.5361 4.3324 4.3324 4.5537 4.5537 4.5958 4.5958 11.5616 11.5616 12.1081 12.1081 12.7359 12.7359 13.2321 13.2321 13.2558 13.2558 k = 0.3525-0.2035 0.2878 ( 2810 PWs) bands (ev): -46.4805 -46.4805 -23.2517 -23.2517 -22.6405 -22.6405 -22.5540 -22.5540 -14.9535 -14.9535 -14.6350 -14.6350 1.9234 1.9234 2.5235 2.5235 2.5451 2.5451 4.3973 4.3973 4.5480 4.5480 4.5901 4.5901 11.5494 11.5494 12.1210 12.1210 12.6969 12.6969 13.2211 13.2211 13.2450 13.2450 k = 0.3607-0.2082 0.2945 ( 2810 PWs) bands (ev): -46.4802 -46.4802 -23.2537 -23.2537 -22.6432 -22.6432 -22.5548 -22.5548 -14.9375 -14.9375 -14.6439 -14.6439 1.8674 1.8674 2.5325 2.5325 2.5539 2.5539 4.4605 4.4605 4.5424 4.5424 4.5844 4.5844 11.5373 11.5373 12.1334 12.1334 12.6585 12.6585 13.2107 13.2107 13.2348 13.2348 k = 0.3689-0.2130 0.3012 ( 2802 PWs) bands (ev): -46.4800 -46.4800 -23.2556 -23.2556 -22.6457 -22.6457 -22.5556 -22.5556 -14.9222 -14.9222 -14.6524 -14.6524 1.8141 1.8141 2.5413 2.5413 2.5626 2.5626 4.5216 4.5216 4.5367 4.5367 4.5788 4.5788 11.5254 11.5254 12.1453 12.1453 12.6210 12.6210 13.2008 13.2008 13.2252 13.2252 k = 0.3770-0.2177 0.3079 ( 2802 PWs) bands (ev): -46.4797 -46.4797 -23.2574 -23.2574 -22.6481 -22.6481 -22.5563 -22.5563 -14.9075 -14.9075 -14.6605 -14.6605 1.7636 1.7636 2.5499 2.5499 2.5710 2.5710 4.5312 4.5312 4.5714 4.5714 4.5824 4.5824 11.5137 11.5137 12.1566 12.1566 12.5846 12.5846 13.1916 13.1916 13.2162 13.2162 k = 0.3852-0.2224 0.3146 ( 2802 PWs) bands (ev): -46.4795 -46.4795 -23.2591 -23.2591 -22.6504 -22.6504 -22.5570 -22.5570 -14.8936 -14.8936 -14.6682 -14.6682 1.7160 1.7160 2.5582 2.5582 2.5790 2.5790 4.5257 4.5257 4.5671 4.5671 4.6377 4.6377 11.5024 11.5024 12.1674 12.1674 12.5494 12.5494 13.1829 13.1829 13.2077 13.2077 k = 0.3934-0.2272 0.3212 ( 2794 PWs) bands (ev): -46.4793 -46.4793 -23.2607 -23.2607 -22.6525 -22.6525 -22.5577 -22.5577 -14.8805 -14.8805 -14.6754 -14.6754 1.6713 1.6713 2.5661 2.5661 2.5868 2.5868 4.5204 4.5204 4.5618 4.5618 4.6916 4.6916 11.4915 11.4915 12.1776 12.1776 12.5156 12.5156 13.1748 13.1748 13.1999 13.1999 k = 0.4016-0.2319 0.3279 ( 2790 PWs) bands (ev): -46.4791 -46.4791 -23.2622 -23.2622 -22.6545 -22.6545 -22.5583 -22.5583 -14.8681 -14.8681 -14.6821 -14.6821 1.6296 1.6296 2.5736 2.5736 2.5942 2.5942 4.5152 4.5152 4.5566 4.5566 4.7427 4.7427 11.4812 11.4812 12.1871 12.1871 12.4834 12.4834 13.1674 13.1674 13.1926 13.1926 k = 0.4098-0.2366 0.3346 ( 2790 PWs) bands (ev): -46.4789 -46.4789 -23.2636 -23.2636 -22.6563 -22.6563 -22.5588 -22.5588 -14.8567 -14.8567 -14.6884 -14.6884 1.5910 1.5910 2.5808 2.5808 2.6012 2.6012 4.5103 4.5103 4.5517 4.5517 4.7907 4.7907 11.4713 11.4713 12.1959 12.1959 12.4530 12.4530 13.1605 13.1605 13.1859 13.1859 k = 0.4180-0.2414 0.3413 ( 2790 PWs) bands (ev): -46.4787 -46.4787 -23.2649 -23.2649 -22.6580 -22.6580 -22.5593 -22.5593 -14.8461 -14.8461 -14.6942 -14.6942 1.5556 1.5556 2.5874 2.5874 2.6077 2.6077 4.5056 4.5056 4.5470 4.5470 4.8354 4.8354 11.4621 11.4621 12.2039 12.2039 12.4246 12.4246 13.1543 13.1543 13.1799 13.1799 k = 0.4262-0.2461 0.3480 ( 2798 PWs) bands (ev): -46.4786 -46.4786 -23.2661 -23.2661 -22.6596 -22.6596 -22.5598 -22.5598 -14.8364 -14.8364 -14.6994 -14.6994 1.5234 1.5234 2.5936 2.5936 2.6137 2.6137 4.5013 4.5013 4.5426 4.5426 4.8766 4.8766 11.4536 11.4536 12.2112 12.2112 12.3984 12.3984 13.1486 13.1486 13.1744 13.1744 k = 0.4344-0.2508 0.3547 ( 2798 PWs) bands (ev): -46.4784 -46.4784 -23.2672 -23.2672 -22.6609 -22.6609 -22.5602 -22.5602 -14.8276 -14.8276 -14.7042 -14.7042 1.4944 1.4944 2.5992 2.5992 2.6192 2.6192 4.4973 4.4973 4.5385 4.5385 4.9140 4.9140 11.4458 11.4458 12.2176 12.2176 12.3746 12.3746 13.1436 13.1436 13.1694 13.1694 k = 0.4426-0.2555 0.3614 ( 2814 PWs) bands (ev): -46.4783 -46.4783 -23.2681 -23.2681 -22.6622 -22.6622 -22.5606 -22.5606 -14.8198 -14.8198 -14.7084 -14.7084 1.4688 1.4688 2.6042 2.6042 2.6242 2.6242 4.4936 4.4936 4.5348 4.5348 4.9475 4.9475 11.4389 11.4389 12.2232 12.2232 12.3534 12.3534 13.1391 13.1391 13.1651 13.1651 k = 0.4508-0.2603 0.3681 ( 2798 PWs) bands (ev): -46.4782 -46.4782 -23.2690 -23.2690 -22.6632 -22.6632 -22.5610 -22.5610 -14.8130 -14.8130 -14.7120 -14.7120 1.4464 1.4464 2.6086 2.6086 2.6285 2.6285 4.4904 4.4904 4.5316 4.5316 4.9769 4.9769 11.4327 11.4327 12.2278 12.2278 12.3349 12.3349 13.1353 13.1353 13.1614 13.1614 k = 0.4590-0.2650 0.3748 ( 2798 PWs) bands (ev): -46.4781 -46.4781 -23.2697 -23.2697 -22.6641 -22.6641 -22.5612 -22.5612 -14.8072 -14.8072 -14.7151 -14.7151 1.4275 1.4275 2.6124 2.6124 2.6323 2.6323 4.4876 4.4876 4.5288 4.5288 5.0021 5.0021 11.4275 11.4275 12.2313 12.2313 12.3193 12.3193 13.1321 13.1321 13.1582 13.1582 k = 0.4672-0.2697 0.3815 ( 2786 PWs) bands (ev): -46.4780 -46.4780 -23.2703 -23.2703 -22.6649 -22.6649 -22.5615 -22.5615 -14.8025 -14.8025 -14.7177 -14.7177 1.4119 1.4119 2.6156 2.6156 2.6354 2.6354 4.4853 4.4853 4.5265 4.5265 5.0229 5.0229 11.4231 11.4231 12.2339 12.2339 12.3069 12.3069 13.1294 13.1294 13.1556 13.1556 k = 0.4754-0.2745 0.3882 ( 2786 PWs) bands (ev): -46.4780 -46.4780 -23.2707 -23.2707 -22.6655 -22.6655 -22.5617 -22.5617 -14.7987 -14.7987 -14.7197 -14.7197 1.3998 1.3998 2.6180 2.6180 2.6378 2.6378 4.4835 4.4835 4.5246 4.5246 5.0392 5.0392 11.4197 11.4197 12.2354 12.2354 12.2975 12.2975 13.1273 13.1273 13.1536 13.1536 k = 0.4836-0.2792 0.3949 ( 2782 PWs) bands (ev): -46.4779 -46.4779 -23.2710 -23.2710 -22.6659 -22.6659 -22.5618 -22.5618 -14.7961 -14.7961 -14.7211 -14.7211 1.3912 1.3912 2.6198 2.6198 2.6395 2.6395 4.4822 4.4822 4.5233 4.5233 5.0509 5.0509 11.4173 11.4173 12.2360 12.2360 12.2912 12.2912 13.1259 13.1259 13.1522 13.1522 k = 0.4918-0.2839 0.4016 ( 2778 PWs) bands (ev): -46.4779 -46.4779 -23.2712 -23.2712 -22.6661 -22.6661 -22.5619 -22.5619 -14.7945 -14.7945 -14.7220 -14.7220 1.3859 1.3859 2.6209 2.6209 2.6406 2.6406 4.4814 4.4814 4.5225 4.5225 5.0579 5.0579 11.4158 11.4158 12.2362 12.2362 12.2876 12.2876 13.1250 13.1250 13.1513 13.1513 k = 0.5000-0.2887 0.4082 ( 2778 PWs) bands (ev): -46.4779 -46.4779 -23.2713 -23.2713 -22.6662 -22.6662 -22.5619 -22.5619 -14.7939 -14.7939 -14.7223 -14.7223 1.3842 1.3842 2.6213 2.6213 2.6409 2.6409 4.4811 4.4811 4.5222 4.5222 5.0603 5.0603 11.4153 11.4153 12.2362 12.2362 12.2865 12.2865 13.1247 13.1247 13.1510 13.1510 k = 0.5000-0.2887 0.4082 ( 2778 PWs) bands (ev): -46.4779 -46.4779 -23.2713 -23.2713 -22.6662 -22.6662 -22.5619 -22.5619 -14.7939 -14.7939 -14.7223 -14.7223 1.3842 1.3842 2.6213 2.6213 2.6409 2.6409 4.4811 4.4811 4.5222 4.5222 5.0603 5.0603 11.4153 11.4153 12.2362 12.2362 12.2865 12.2865 13.1247 13.1247 13.1510 13.1510 k = 0.5000-0.2794 0.4148 ( 2778 PWs) bands (ev): -46.4779 -46.4779 -23.2713 -23.2713 -22.6662 -22.6662 -22.5619 -22.5619 -14.7939 -14.7939 -14.7223 -14.7223 1.3849 1.3849 2.6213 2.6213 2.6411 2.6411 4.4806 4.4806 4.5217 4.5217 5.0601 5.0601 11.4159 11.4159 12.2361 12.2361 12.2867 12.2867 13.1242 13.1242 13.1505 13.1505 k = 0.5000-0.2701 0.4214 ( 2780 PWs) bands (ev): -46.4779 -46.4779 -23.2712 -23.2712 -22.6661 -22.6661 -22.5621 -22.5621 -14.7938 -14.7938 -14.7225 -14.7225 1.3871 1.3871 2.6208 2.6208 2.6421 2.6421 4.4787 4.4787 4.5202 4.5202 5.0593 5.0593 11.4175 11.4175 12.2358 12.2358 12.2873 12.2873 13.1226 13.1226 13.1492 13.1492 k = 0.5000-0.2607 0.4280 ( 2780 PWs) bands (ev): -46.4779 -46.4779 -23.2712 -23.2712 -22.6659 -22.6659 -22.5624 -22.5624 -14.7936 -14.7936 -14.7227 -14.7227 1.3907 1.3907 2.6186 2.6186 2.6453 2.6453 4.4749 4.4749 4.5182 4.5182 5.0582 5.0582 11.4203 11.4203 12.2352 12.2352 12.2883 12.2883 13.1195 13.1195 13.1475 13.1475 k = 0.5000-0.2514 0.4346 ( 2790 PWs) bands (ev): -46.4779 -46.4779 -23.2710 -23.2710 -22.6657 -22.6657 -22.5628 -22.5628 -14.7933 -14.7933 -14.7230 -14.7230 1.3957 1.3957 2.6139 2.6139 2.6513 2.6513 4.4688 4.4688 4.5165 4.5165 5.0565 5.0565 11.4242 11.4242 12.2343 12.2343 12.2898 12.2898 13.1144 13.1144 13.1458 13.1458 k = 0.5000-0.2421 0.4412 ( 2794 PWs) bands (ev): -46.4779 -46.4779 -23.2709 -23.2709 -22.6653 -22.6653 -22.5633 -22.5633 -14.7929 -14.7929 -14.7235 -14.7235 1.4021 1.4021 2.6068 2.6068 2.6601 2.6601 4.4596 4.4596 4.5156 4.5156 5.0544 5.0544 11.4291 11.4291 12.2331 12.2331 12.2918 12.2918 13.1071 13.1071 13.1446 13.1446 k = 0.5000-0.2328 0.4478 ( 2798 PWs) bands (ev): -46.4779 -46.4779 -23.2707 -23.2707 -22.6650 -22.6650 -22.5639 -22.5639 -14.7925 -14.7925 -14.7240 -14.7240 1.4100 1.4100 2.5976 2.5976 2.6714 2.6714 4.4473 4.4473 4.5157 4.5157 5.0519 5.0519 11.4350 11.4350 12.2315 12.2315 12.2944 12.2944 13.0975 13.0975 13.1440 13.1440 k = 0.5000-0.2235 0.4543 ( 2798 PWs) bands (ev): -46.4779 -46.4779 -23.2705 -23.2705 -22.6645 -22.6645 -22.5646 -22.5646 -14.7919 -14.7919 -14.7246 -14.7246 1.4192 1.4192 2.5866 2.5866 2.6850 2.6850 4.4319 4.4319 4.5167 4.5167 5.0489 5.0489 11.4420 11.4420 12.2294 12.2294 12.2976 12.2976 13.0859 13.0859 13.1438 13.1438 k = 0.5000-0.2142 0.4609 ( 2806 PWs) bands (ev): -46.4779 -46.4779 -23.2703 -23.2703 -22.6640 -22.6640 -22.5654 -22.5654 -14.7913 -14.7913 -14.7253 -14.7253 1.4298 1.4298 2.5738 2.5738 2.7008 2.7008 4.4136 4.4136 4.5185 4.5185 5.0455 5.0455 11.4498 11.4498 12.2269 12.2269 12.3015 12.3015 13.0723 13.0723 13.1440 13.1440 k = 0.5000-0.2049 0.4675 ( 2798 PWs) bands (ev): -46.4779 -46.4779 -23.2700 -23.2700 -22.6635 -22.6635 -22.5663 -22.5663 -14.7906 -14.7906 -14.7261 -14.7261 1.4418 1.4418 2.5593 2.5593 2.7187 2.7187 4.3926 4.3926 4.5209 4.5209 5.0417 5.0417 11.4586 11.4586 12.2239 12.2239 12.3060 12.3060 13.0571 13.0571 13.1444 13.1444 k = 0.5000-0.1956 0.4741 ( 2798 PWs) bands (ev): -46.4779 -46.4779 -23.2697 -23.2697 -22.6628 -22.6628 -22.5672 -22.5672 -14.7899 -14.7899 -14.7270 -14.7270 1.4551 1.4551 2.5432 2.5432 2.7386 2.7386 4.3691 4.3691 4.5239 4.5239 5.0376 5.0376 11.4682 11.4682 12.2204 12.2204 12.3113 12.3113 13.0403 13.0403 13.1450 13.1450 k = 0.5000-0.1862 0.4807 ( 2802 PWs) bands (ev): -46.4779 -46.4779 -23.2694 -23.2694 -22.6622 -22.6622 -22.5683 -22.5683 -14.7890 -14.7890 -14.7279 -14.7279 1.4696 1.4696 2.5256 2.5256 2.7606 2.7606 4.3432 4.3432 4.5273 4.5273 5.0332 5.0332 11.4786 11.4786 12.2165 12.2165 12.3172 12.3172 13.0223 13.0223 13.1458 13.1458 k = 0.5000-0.1769 0.4873 ( 2802 PWs) bands (ev): -46.4779 -46.4779 -23.2691 -23.2691 -22.6614 -22.6614 -22.5694 -22.5694 -14.7881 -14.7881 -14.7289 -14.7289 1.4855 1.4855 2.5065 2.5065 2.7845 2.7845 4.3151 4.3151 4.5310 4.5310 5.0284 5.0284 11.4897 11.4897 12.2120 12.2120 12.3239 12.3239 13.0031 13.0031 13.1467 13.1467 k = 0.5000-0.1676 0.4938 ( 2798 PWs) bands (ev): -46.4779 -46.4779 -23.2688 -23.2688 -22.6606 -22.6606 -22.5706 -22.5706 -14.7871 -14.7871 -14.7300 -14.7300 1.5026 1.5026 2.4861 2.4861 2.8102 2.8102 4.2849 4.2849 4.5351 4.5351 5.0234 5.0234 11.5014 11.5014 12.2071 12.2071 12.3312 12.3312 12.9829 12.9829 13.1477 13.1477 k = 0.5000-0.1583 0.5004 ( 2802 PWs) bands (ev): -46.4779 -46.4779 -23.2685 -23.2685 -22.6598 -22.6598 -22.5718 -22.5718 -14.7861 -14.7861 -14.7312 -14.7312 1.5209 1.5209 2.4644 2.4644 2.8379 2.8379 4.2526 4.2526 4.5395 4.5395 5.0181 5.0181 11.5137 11.5137 12.2018 12.2018 12.3393 12.3393 12.9619 12.9619 13.1488 13.1488 k = 0.5000-0.1490 0.5070 ( 2802 PWs) bands (ev): -46.4779 -46.4779 -23.2681 -23.2681 -22.6590 -22.6590 -22.5731 -22.5731 -14.7850 -14.7850 -14.7325 -14.7325 1.5404 1.5404 2.4414 2.4414 2.8673 2.8673 4.2185 4.2185 4.5441 4.5441 5.0127 5.0127 11.5263 11.5263 12.1961 12.1961 12.3480 12.3480 12.9401 12.9401 13.1499 13.1499 k = 0.5000-0.1397 0.5136 ( 2802 PWs) bands (ev): -46.4779 -46.4779 -23.2678 -23.2678 -22.6581 -22.6581 -22.5744 -22.5744 -14.7838 -14.7838 -14.7338 -14.7338 1.5611 1.5611 2.4173 2.4173 2.8984 2.8984 4.1826 4.1826 4.5488 4.5488 5.0071 5.0071 11.5394 11.5394 12.1901 12.1901 12.3575 12.3575 12.9178 12.9178 13.1510 13.1510 k = 0.5000-0.1304 0.5202 ( 2798 PWs) bands (ev): -46.4779 -46.4779 -23.2674 -23.2674 -22.6571 -22.6571 -22.5758 -22.5758 -14.7825 -14.7825 -14.7351 -14.7351 1.5828 1.5828 2.3921 2.3921 2.9311 2.9311 4.1451 4.1451 4.5537 4.5537 5.0014 5.0014 11.5526 11.5526 12.1837 12.1837 12.3676 12.3676 12.8950 12.8950 13.1521 13.1521 k = 0.5000-0.1211 0.5268 ( 2790 PWs) bands (ev): -46.4779 -46.4779 -23.2671 -23.2671 -22.6562 -22.6562 -22.5771 -22.5771 -14.7813 -14.7813 -14.7365 -14.7365 1.6056 1.6056 2.3659 2.3659 2.9655 2.9655 4.1060 4.1060 4.5586 4.5586 4.9957 4.9957 11.5660 11.5660 12.1771 12.1771 12.3784 12.3784 12.8719 12.8719 13.1532 13.1532 k = 0.5000-0.1117 0.5334 ( 2794 PWs) bands (ev): -46.4779 -46.4779 -23.2668 -23.2668 -22.6552 -22.6552 -22.5785 -22.5785 -14.7799 -14.7799 -14.7380 -14.7380 1.6294 1.6294 2.3388 2.3388 3.0013 3.0013 4.0656 4.0656 4.5636 4.5636 4.9900 4.9900 11.5794 11.5794 12.1703 12.1703 12.3899 12.3899 12.8486 12.8486 13.1543 13.1543 k = 0.5000-0.1024 0.5399 ( 2802 PWs) bands (ev): -46.4779 -46.4779 -23.2665 -23.2665 -22.6543 -22.6543 -22.5798 -22.5798 -14.7785 -14.7785 -14.7395 -14.7395 1.6541 1.6541 2.3108 2.3108 3.0386 3.0386 4.0239 4.0239 4.5685 4.5685 4.9844 4.9844 11.5926 11.5926 12.1634 12.1634 12.4021 12.4021 12.8251 12.8251 13.1554 13.1554 k = 0.5000-0.0931 0.5465 ( 2802 PWs) bands (ev): -46.4779 -46.4779 -23.2662 -23.2662 -22.6534 -22.6534 -22.5811 -22.5811 -14.7771 -14.7771 -14.7410 -14.7410 1.6797 1.6797 2.2822 2.2822 3.0772 3.0772 3.9810 3.9810 4.5733 4.5733 4.9790 4.9790 11.6056 11.6056 12.1565 12.1565 12.4150 12.4150 12.8016 12.8016 13.1564 13.1564 k = 0.5000-0.0838 0.5531 ( 2802 PWs) bands (ev): -46.4779 -46.4779 -23.2659 -23.2659 -22.6525 -22.6525 -22.5824 -22.5824 -14.7757 -14.7757 -14.7426 -14.7426 1.7062 1.7062 2.2529 2.2529 3.1171 3.1171 3.9372 3.9372 4.5779 4.5779 4.9737 4.9737 11.6181 11.6181 12.1496 12.1496 12.4286 12.4286 12.7782 12.7782 13.1574 13.1574 k = 0.5000-0.0745 0.5597 ( 2790 PWs) bands (ev): -46.4779 -46.4779 -23.2656 -23.2656 -22.6516 -22.6516 -22.5836 -22.5836 -14.7742 -14.7742 -14.7442 -14.7442 1.7335 1.7335 2.2230 2.2230 3.1582 3.1582 3.8924 3.8924 4.5823 4.5823 4.9688 4.9688 11.6300 11.6300 12.1429 12.1429 12.4428 12.4428 12.7550 12.7550 13.1582 13.1582 k = 0.5000-0.0652 0.5663 ( 2790 PWs) bands (ev): -46.4779 -46.4779 -23.2654 -23.2654 -22.6508 -22.6508 -22.5847 -22.5847 -14.7727 -14.7727 -14.7457 -14.7457 1.7614 1.7614 2.1926 2.1926 3.2004 3.2004 3.8469 3.8469 4.5864 4.5864 4.9642 4.9642 11.6411 11.6411 12.1364 12.1364 12.4577 12.4577 12.7320 12.7320 13.1590 13.1590 k = 0.5000-0.0559 0.5729 ( 2782 PWs) bands (ev): -46.4779 -46.4779 -23.2652 -23.2652 -22.6500 -22.6500 -22.5857 -22.5857 -14.7712 -14.7712 -14.7473 -14.7473 1.7901 1.7901 2.1618 2.1618 3.2436 3.2436 3.8008 3.8008 4.5902 4.5902 4.9600 4.9600 11.6512 11.6512 12.1305 12.1305 12.4733 12.4733 12.7092 12.7092 13.1598 13.1598 k = 0.5000-0.0466 0.5794 ( 2786 PWs) bands (ev): -46.4779 -46.4779 -23.2650 -23.2650 -22.6493 -22.6493 -22.5866 -22.5866 -14.7698 -14.7698 -14.7488 -14.7488 1.8193 1.8193 2.1308 2.1308 3.2877 3.2877 3.7542 3.7542 4.5935 4.5935 4.9563 4.9563 11.6602 11.6602 12.1250 12.1250 12.4896 12.4896 12.6868 12.6868 13.1604 13.1604 k = 0.5000-0.0372 0.5860 ( 2786 PWs) bands (ev): -46.4779 -46.4779 -23.2648 -23.2648 -22.6488 -22.6488 -22.5873 -22.5873 -14.7684 -14.7684 -14.7503 -14.7503 1.8491 1.8491 2.0995 2.0995 3.3325 3.3325 3.7072 3.7072 4.5963 4.5963 4.9532 4.9532 11.6679 11.6679 12.1204 12.1204 12.5064 12.5064 12.6649 12.6649 13.1609 13.1609 k = 0.5000-0.0279 0.5926 ( 2786 PWs) bands (ev): -46.4779 -46.4779 -23.2647 -23.2647 -22.6483 -22.6483 -22.5880 -22.5880 -14.7671 -14.7671 -14.7516 -14.7516 1.8792 1.8792 2.0682 2.0682 3.3781 3.3781 3.6600 3.6600 4.5985 4.5985 4.9507 4.9507 11.6741 11.6741 12.1165 12.1165 12.5239 12.5239 12.6435 12.6435 13.1613 13.1613 k = 0.5000-0.0186 0.5992 ( 2780 PWs) bands (ev): -46.4779 -46.4779 -23.2646 -23.2646 -22.6480 -22.6480 -22.5884 -22.5884 -14.7660 -14.7660 -14.7528 -14.7528 1.9096 1.9096 2.0369 2.0369 3.4242 3.4242 3.6126 3.6126 4.6001 4.6001 4.9489 4.9489 11.6786 11.6786 12.1137 12.1137 12.5418 12.5418 12.6227 12.6227 13.1616 13.1616 k = 0.5000-0.0093 0.6058 ( 2780 PWs) bands (ev): -46.4779 -46.4779 -23.2646 -23.2646 -22.6477 -22.6477 -22.5887 -22.5887 -14.7652 -14.7652 -14.7535 -14.7535 1.9396 1.9396 2.0063 2.0063 3.4708 3.4708 3.5653 3.5653 4.6011 4.6011 4.9478 4.9478 11.6814 11.6814 12.1120 12.1120 12.5598 12.5598 12.6030 12.6030 13.1618 13.1618 k = 0.5000-0.0000 0.6124 ( 2780 PWs) bands (ev): -46.4779 -46.4779 -23.2645 -23.2645 -22.6477 -22.6477 -22.5888 -22.5888 -14.7649 -14.7649 -14.7538 -14.7538 1.9616 1.9616 1.9842 1.9842 3.5142 3.5142 3.5217 3.5217 4.6015 4.6015 4.9474 4.9474 11.6823 11.6823 12.1114 12.1114 12.5723 12.5723 12.5898 12.5898 13.1618 13.1618 k = 0.5000-0.0000 0.6124 ( 2780 PWs) bands (ev): -46.4779 -46.4779 -23.2645 -23.2645 -22.6477 -22.6477 -22.5888 -22.5888 -14.7649 -14.7649 -14.7538 -14.7538 1.9616 1.9616 1.9842 1.9842 3.5142 3.5142 3.5217 3.5217 4.6015 4.6015 4.9474 4.9474 11.6823 11.6823 12.1114 12.1114 12.5723 12.5723 12.5898 12.5898 13.1618 13.1618 k = 0.4943 0.0098 0.6124 ( 2780 PWs) bands (ev): -46.4779 -46.4779 -23.2645 -23.2645 -22.6477 -22.6477 -22.5887 -22.5887 -14.7651 -14.7651 -14.7537 -14.7537 1.9484 1.9484 1.9983 1.9983 3.4844 3.4844 3.5514 3.5514 4.6011 4.6011 4.9470 4.9470 11.6818 11.6818 12.1116 12.1116 12.5650 12.5650 12.5979 12.5979 13.1620 13.1620 k = 0.4886 0.0197 0.6124 ( 2780 PWs) bands (ev): -46.4779 -46.4779 -23.2645 -23.2645 -22.6478 -22.6478 -22.5885 -22.5885 -14.7654 -14.7654 -14.7536 -14.7536 1.9282 1.9282 2.0211 2.0211 3.4511 3.4511 3.5844 3.5844 4.5998 4.5998 4.9457 4.9457 11.6804 11.6804 12.1121 12.1121 12.5535 12.5535 12.6116 12.6116 13.1625 13.1625 k = 0.4830 0.0295 0.6124 ( 2783 PWs) bands (ev): -46.4779 -46.4779 -23.2645 -23.2645 -22.6479 -22.6479 -22.5882 -22.5882 -14.7659 -14.7659 -14.7534 -14.7534 1.9078 1.9078 2.0460 2.0460 3.4174 3.4174 3.6176 3.6176 4.5975 4.5975 4.9437 4.9437 11.6780 11.6780 12.1130 12.1130 12.5421 12.5421 12.6265 12.6265 13.1634 13.1634 k = 0.4773 0.0394 0.6124 ( 2779 PWs) bands (ev): -46.4779 -46.4779 -23.2645 -23.2645 -22.6481 -22.6481 -22.5878 -22.5878 -14.7663 -14.7663 -14.7533 -14.7533 1.8878 1.8878 2.0722 2.0722 3.3836 3.3836 3.6506 3.6506 4.5940 4.5940 4.9413 4.9413 11.6747 11.6747 12.1143 12.1143 12.5313 12.5313 12.6420 12.6420 13.1646 13.1646 k = 0.4716 0.0492 0.6124 ( 2783 PWs) bands (ev): -46.4779 -46.4779 -23.2645 -23.2645 -22.6483 -22.6483 -22.5872 -22.5872 -14.7668 -14.7668 -14.7533 -14.7533 1.8684 1.8684 2.0997 2.0997 3.3496 3.3496 3.6837 3.6837 4.5892 4.5892 4.9385 4.9385 11.6704 11.6704 12.1160 12.1160 12.5212 12.5212 12.6577 12.6577 13.1662 13.1662 k = 0.4659 0.0590 0.6124 ( 2783 PWs) bands (ev): -46.4779 -46.4779 -23.2645 -23.2645 -22.6486 -22.6486 -22.5866 -22.5866 -14.7672 -14.7672 -14.7534 -14.7534 1.8496 1.8496 2.1282 2.1282 3.3154 3.3154 3.7166 3.7166 4.5830 4.5830 4.9357 4.9357 11.6654 11.6654 12.1181 12.1181 12.5119 12.5119 12.6734 12.6734 13.1681 13.1681 k = 0.4602 0.0689 0.6124 ( 2795 PWs) bands (ev): -46.4780 -46.4780 -23.2645 -23.2645 -22.6489 -22.6489 -22.5859 -22.5859 -14.7676 -14.7676 -14.7535 -14.7535 1.8316 1.8316 2.1577 2.1577 3.2811 3.2811 3.7494 3.7494 4.5753 4.5753 4.9328 4.9328 11.6596 11.6596 12.1205 12.1205 12.5034 12.5034 12.6890 12.6890 13.1704 13.1704 k = 0.4545 0.0787 0.6124 ( 2796 PWs) bands (ev): -46.4780 -46.4780 -23.2645 -23.2645 -22.6492 -22.6492 -22.5852 -22.5852 -14.7679 -14.7679 -14.7538 -14.7538 1.8145 1.8145 2.1880 2.1880 3.2466 3.2466 3.7820 3.7820 4.5661 4.5661 4.9300 4.9300 11.6533 11.6533 12.1232 12.1232 12.4956 12.4956 12.7042 12.7042 13.1729 13.1729 k = 0.4489 0.0886 0.6124 ( 2794 PWs) bands (ev): -46.4780 -46.4780 -23.2645 -23.2645 -22.6496 -22.6496 -22.5845 -22.5845 -14.7681 -14.7681 -14.7541 -14.7541 1.7983 1.7983 2.2191 2.2191 3.2121 3.2121 3.8145 3.8145 4.5553 4.5553 4.9274 4.9274 11.6465 11.6465 12.1261 12.1261 12.4886 12.4886 12.7190 12.7190 13.1758 13.1758 k = 0.4432 0.0984 0.6124 ( 2794 PWs) bands (ev): -46.4780 -46.4780 -23.2645 -23.2645 -22.6499 -22.6499 -22.5837 -22.5837 -14.7684 -14.7684 -14.7545 -14.7545 1.7831 1.7831 2.2508 2.2508 3.1774 3.1774 3.8467 3.8467 4.5429 4.5429 4.9252 4.9252 11.6395 11.6395 12.1292 12.1292 12.4822 12.4822 12.7331 12.7331 13.1789 13.1789 k = 0.4375 0.1083 0.6124 ( 2796 PWs) bands (ev): -46.4780 -46.4780 -23.2645 -23.2645 -22.6503 -22.6503 -22.5829 -22.5829 -14.7686 -14.7686 -14.7549 -14.7549 1.7689 1.7689 2.2831 2.2831 3.1428 3.1428 3.8785 3.8785 4.5289 4.5289 4.9232 4.9232 11.6323 11.6323 12.1323 12.1323 12.4766 12.4766 12.7464 12.7464 13.1822 13.1822 k = 0.4318 0.1181 0.6124 ( 2800 PWs) bands (ev): -46.4780 -46.4780 -23.2645 -23.2645 -22.6506 -22.6506 -22.5821 -22.5821 -14.7687 -14.7687 -14.7554 -14.7554 1.7558 1.7558 2.3157 2.3157 3.1082 3.1082 3.9100 3.9100 4.5135 4.5135 4.9217 4.9217 11.6251 11.6251 12.1355 12.1355 12.4715 12.4715 12.7589 12.7589 13.1857 13.1857 k = 0.4261 0.1279 0.6124 ( 2804 PWs) bands (ev): -46.4781 -46.4781 -23.2645 -23.2645 -22.6510 -22.6510 -22.5814 -22.5814 -14.7689 -14.7689 -14.7558 -14.7558 1.7438 1.7438 2.3485 2.3485 3.0737 3.0737 3.9410 3.9410 4.4968 4.4968 4.9204 4.9204 11.6182 11.6182 12.1386 12.1386 12.4671 12.4671 12.7704 12.7704 13.1892 13.1892 k = 0.4205 0.1378 0.6124 ( 2806 PWs) bands (ev): -46.4781 -46.4781 -23.2645 -23.2645 -22.6513 -22.6513 -22.5806 -22.5806 -14.7690 -14.7690 -14.7563 -14.7563 1.7329 1.7329 2.3813 2.3813 3.0396 3.0396 3.9714 3.9714 4.4791 4.4791 4.9194 4.9194 11.6115 11.6115 12.1415 12.1415 12.4632 12.4632 12.7808 12.7808 13.1927 13.1927 k = 0.4148 0.1476 0.6124 ( 2800 PWs) bands (ev): -46.4781 -46.4781 -23.2645 -23.2645 -22.6516 -22.6516 -22.5800 -22.5800 -14.7691 -14.7691 -14.7567 -14.7567 1.7233 1.7233 2.4139 2.4139 3.0060 3.0060 4.0009 4.0009 4.4604 4.4604 4.9187 4.9187 11.6053 11.6053 12.1443 12.1443 12.4599 12.4599 12.7901 12.7901 13.1961 13.1961 k = 0.4091 0.1575 0.6124 ( 2808 PWs) bands (ev): -46.4781 -46.4781 -23.2645 -23.2645 -22.6519 -22.6519 -22.5794 -22.5794 -14.7691 -14.7691 -14.7571 -14.7571 1.7148 1.7148 2.4459 2.4459 2.9732 2.9732 4.0293 4.0293 4.4413 4.4413 4.9182 4.9182 11.5996 11.5996 12.1468 12.1468 12.4570 12.4570 12.7982 12.7982 13.1993 13.1993 k = 0.4034 0.1673 0.6124 ( 2809 PWs) bands (ev): -46.4781 -46.4781 -23.2645 -23.2645 -22.6521 -22.6521 -22.5789 -22.5789 -14.7692 -14.7692 -14.7574 -14.7574 1.7077 1.7077 2.4769 2.4769 2.9417 2.9417 4.0562 4.0562 4.4220 4.4220 4.9179 4.9179 11.5947 11.5947 12.1490 12.1490 12.4547 12.4547 12.8051 12.8051 13.2022 13.2022 k = 0.3977 0.1771 0.6124 ( 2810 PWs) bands (ev): -46.4781 -46.4781 -23.2645 -23.2645 -22.6523 -22.6523 -22.5784 -22.5784 -14.7692 -14.7692 -14.7577 -14.7577 1.7018 1.7018 2.5060 2.5060 2.9121 2.9121 4.0811 4.0811 4.4034 4.4034 4.9177 4.9177 11.5905 11.5905 12.1509 12.1509 12.4528 12.4528 12.8108 12.8108 13.2047 13.2047 k = 0.3920 0.1870 0.6124 ( 2810 PWs) bands (ev): -46.4781 -46.4781 -23.2645 -23.2645 -22.6525 -22.6525 -22.5781 -22.5781 -14.7693 -14.7693 -14.7579 -14.7579 1.6972 1.6972 2.5321 2.5321 2.8856 2.8856 4.1030 4.1030 4.3863 4.3863 4.9176 4.9176 11.5871 11.5871 12.1524 12.1524 12.4513 12.4513 12.8152 12.8152 13.2067 13.2067 k = 0.3864 0.1968 0.6124 ( 2800 PWs) bands (ev): -46.4782 -46.4782 -23.2645 -23.2645 -22.6526 -22.6526 -22.5778 -22.5778 -14.7693 -14.7693 -14.7581 -14.7581 1.6939 1.6939 2.5537 2.5537 2.8639 2.8639 4.1206 4.1206 4.3721 4.3721 4.9175 4.9175 11.5847 11.5847 12.1535 12.1535 12.4503 12.4503 12.8184 12.8184 13.2083 13.2083 k = 0.3807 0.2067 0.6124 ( 2800 PWs) bands (ev): -46.4782 -46.4782 -23.2645 -23.2645 -22.6526 -22.6526 -22.5777 -22.5777 -14.7693 -14.7693 -14.7582 -14.7582 1.6919 1.6919 2.5682 2.5682 2.8492 2.8492 4.1323 4.1323 4.3624 4.3624 4.9175 4.9175 11.5832 11.5832 12.1542 12.1542 12.4497 12.4497 12.8202 12.8202 13.2092 13.2092 k = 0.3750 0.2165 0.6124 ( 2810 PWs) bands (ev): -46.4782 -46.4782 -23.2645 -23.2645 -22.6527 -22.6527 -22.5776 -22.5776 -14.7693 -14.7693 -14.7582 -14.7582 1.6912 1.6912 2.5734 2.5734 2.8440 2.8440 4.1365 4.1365 4.3589 4.3589 4.9175 4.9175 11.5827 11.5827 12.1544 12.1544 12.4494 12.4494 12.8209 12.8209 13.2095 13.2095 k = 0.3750 0.2165 0.6124 ( 2810 PWs) bands (ev): -46.4782 -46.4782 -23.2645 -23.2645 -22.6527 -22.6527 -22.5776 -22.5776 -14.7693 -14.7693 -14.7582 -14.7582 1.6912 1.6912 2.5734 2.5734 2.8440 2.8440 4.1365 4.1365 4.3589 4.3589 4.9175 4.9175 11.5827 11.5827 12.1544 12.1544 12.4494 12.4494 12.8209 12.8209 13.2095 13.2095 k = 0.3692 0.2132 0.6030 ( 2802 PWs) bands (ev): -46.4782 -46.4782 -23.2639 -23.2639 -22.6517 -22.6517 -22.5782 -22.5782 -14.7696 -14.7696 -14.7597 -14.7597 1.7161 1.7161 2.5742 2.5742 2.8638 2.8638 4.1050 4.1050 4.3442 4.3442 4.9037 4.9037 11.5916 11.5916 12.1470 12.1470 12.4663 12.4663 12.8067 12.8067 13.2164 13.2164 k = 0.3635 0.2098 0.5935 ( 2790 PWs) bands (ev): -46.4783 -46.4783 -23.2634 -23.2634 -22.6507 -22.6507 -22.5785 -22.5785 -14.7731 -14.7731 -14.7582 -14.7582 1.7414 1.7414 2.5759 2.5759 2.8846 2.8846 4.0725 4.0725 4.3285 4.3285 4.8896 4.8896 11.6001 11.6001 12.1395 12.1395 12.4836 12.4836 12.7939 12.7939 13.2236 13.2236 k = 0.3577 0.2065 0.5841 ( 2794 PWs) bands (ev): -46.4783 -46.4783 -23.2628 -23.2628 -22.6497 -22.6497 -22.5788 -22.5788 -14.7782 -14.7782 -14.7552 -14.7552 1.7669 1.7669 2.5788 2.5788 2.9061 2.9061 4.0391 4.0391 4.3116 4.3116 4.8753 4.8753 11.6083 11.6083 12.1318 12.1318 12.5015 12.5015 12.7825 12.7825 13.2311 13.2311 k = 0.3519 0.2032 0.5747 ( 2794 PWs) bands (ev): -46.4784 -46.4784 -23.2622 -23.2622 -22.6488 -22.6488 -22.5789 -22.5789 -14.7842 -14.7842 -14.7516 -14.7516 1.7926 1.7926 2.5830 2.5830 2.9285 2.9285 4.0049 4.0049 4.2934 4.2934 4.8610 4.8610 11.6162 11.6162 12.1239 12.1239 12.5198 12.5198 12.7725 12.7725 13.2389 13.2389 k = 0.3462 0.1999 0.5653 ( 2786 PWs) bands (ev): -46.4785 -46.4785 -23.2615 -23.2615 -22.6478 -22.6478 -22.5789 -22.5789 -14.7908 -14.7908 -14.7475 -14.7475 1.8184 1.8184 2.5884 2.5884 2.9518 2.9518 3.9698 3.9698 4.2738 4.2738 4.8468 4.8468 11.6238 11.6238 12.1159 12.1159 12.5383 12.5383 12.7640 12.7640 13.2471 13.2471 k = 0.3404 0.1965 0.5558 ( 2774 PWs) bands (ev): -46.4786 -46.4786 -23.2608 -23.2608 -22.6469 -22.6469 -22.5787 -22.5787 -14.7979 -14.7979 -14.7432 -14.7432 1.8441 1.8441 2.5953 2.5953 2.9759 2.9759 3.9341 3.9341 4.2528 4.2528 4.8327 4.8327 11.6313 11.6313 12.1078 12.1078 12.5571 12.5571 12.7571 12.7571 13.2556 13.2556 k = 0.3346 0.1932 0.5464 ( 2774 PWs) bands (ev): -46.4787 -46.4787 -23.2601 -23.2601 -22.6459 -22.6459 -22.5784 -22.5784 -14.8056 -14.8056 -14.7385 -14.7385 1.8696 1.8696 2.6037 2.6037 3.0007 3.0007 3.8976 3.8976 4.2301 4.2301 4.8190 4.8190 11.6385 11.6385 12.0996 12.0996 12.5761 12.5761 12.7519 12.7519 13.2643 13.2643 k = 0.3288 0.1899 0.5370 ( 2774 PWs) bands (ev): -46.4788 -46.4788 -23.2594 -23.2594 -22.6449 -22.6449 -22.5780 -22.5780 -14.8138 -14.8138 -14.7335 -14.7335 1.8949 1.8949 2.6137 2.6137 3.0264 3.0264 3.8605 3.8605 4.2059 4.2059 4.8057 4.8057 11.6455 11.6455 12.0913 12.0913 12.5950 12.5950 12.7482 12.7482 13.2734 13.2734 k = 0.3231 0.1865 0.5276 ( 2778 PWs) bands (ev): -46.4789 -46.4789 -23.2586 -23.2586 -22.6439 -22.6439 -22.5774 -22.5774 -14.8226 -14.8226 -14.7281 -14.7281 1.9198 1.9198 2.6254 2.6254 3.0529 3.0529 3.8228 3.8228 4.1799 4.1799 4.7929 4.7929 11.6525 11.6525 12.0829 12.0829 12.6140 12.6140 12.7462 12.7462 13.2827 13.2827 k = 0.3173 0.1832 0.5182 ( 2782 PWs) bands (ev): -46.4790 -46.4790 -23.2578 -23.2578 -22.6429 -22.6429 -22.5766 -22.5766 -14.8319 -14.8319 -14.7225 -14.7225 1.9442 1.9442 2.6388 2.6388 3.0801 3.0801 3.7846 3.7846 4.1522 4.1522 4.7808 4.7808 11.6593 11.6593 12.0744 12.0744 12.6328 12.6328 12.7458 12.7458 13.2924 13.2924 k = 0.3115 0.1799 0.5087 ( 2794 PWs) bands (ev): -46.4791 -46.4791 -23.2570 -23.2570 -22.6419 -22.6419 -22.5758 -22.5758 -14.8417 -14.8417 -14.7165 -14.7165 1.9681 1.9681 2.6541 2.6541 3.1081 3.1081 3.7460 3.7460 4.1227 4.1227 4.7693 4.7693 11.6662 11.6662 12.0659 12.0659 12.6515 12.6515 12.7471 12.7471 13.3023 13.3023 k = 0.3058 0.1765 0.4993 ( 2798 PWs) bands (ev): -46.4793 -46.4793 -23.2561 -23.2561 -22.6409 -22.6409 -22.5748 -22.5748 -14.8521 -14.8521 -14.7103 -14.7103 1.9914 1.9914 2.6711 2.6711 3.1368 3.1368 3.7069 3.7069 4.0914 4.0914 4.7586 4.7586 11.6730 11.6730 12.0573 12.0573 12.6700 12.6700 12.7500 12.7500 13.3124 13.3124 k = 0.3000 0.1732 0.4899 ( 2792 PWs) bands (ev): -46.4794 -46.4794 -23.2552 -23.2552 -22.6398 -22.6398 -22.5737 -22.5737 -14.8630 -14.8630 -14.7037 -14.7037 2.0139 2.0139 2.6901 2.6901 3.1663 3.1663 3.6675 3.6675 4.0584 4.0584 4.7487 4.7487 11.6799 11.6799 12.0487 12.0487 12.6882 12.6882 12.7545 12.7545 13.3228 13.3228 k = 0.2942 0.1699 0.4805 ( 2792 PWs) bands (ev): -46.4796 -46.4796 -23.2542 -23.2542 -22.6386 -22.6386 -22.5725 -22.5725 -14.8744 -14.8744 -14.6968 -14.6968 2.0357 2.0357 2.7109 2.7109 3.1965 3.1965 3.6279 3.6279 4.0238 4.0238 4.7395 4.7395 11.6868 11.6868 12.0400 12.0400 12.7060 12.7060 12.7606 12.7606 13.3334 13.3334 k = 0.2885 0.1665 0.4711 ( 2796 PWs) bands (ev): -46.4797 -46.4797 -23.2531 -23.2531 -22.6374 -22.6374 -22.5713 -22.5713 -14.8864 -14.8864 -14.6895 -14.6895 2.0567 2.0567 2.7336 2.7336 3.2273 3.2273 3.5880 3.5880 3.9875 3.9875 4.7311 4.7311 11.6937 11.6937 12.0313 12.0313 12.7236 12.7236 12.7683 12.7683 13.3443 13.3443 k = 0.2827 0.1632 0.4616 ( 2802 PWs) bands (ev): -46.4799 -46.4799 -23.2520 -23.2520 -22.6361 -22.6361 -22.5699 -22.5699 -14.8990 -14.8990 -14.6820 -14.6820 2.0769 2.0769 2.7582 2.7582 3.2588 3.2588 3.5480 3.5480 3.9497 3.9497 4.7234 4.7234 11.7007 11.7007 12.0225 12.0225 12.7408 12.7408 12.7775 12.7775 13.3553 13.3553 k = 0.2769 0.1599 0.4522 ( 2788 PWs) bands (ev): -46.4801 -46.4801 -23.2509 -23.2509 -22.6348 -22.6348 -22.5685 -22.5685 -14.9120 -14.9120 -14.6741 -14.6741 2.0963 2.0963 2.7846 2.7846 3.2909 3.2909 3.5078 3.5078 3.9104 3.9104 4.7164 4.7164 11.7078 11.7078 12.0137 12.0137 12.7577 12.7577 12.7881 12.7881 13.3666 13.3666 k = 0.2712 0.1566 0.4428 ( 2788 PWs) bands (ev): -46.4803 -46.4803 -23.2496 -23.2496 -22.6333 -22.6333 -22.5670 -22.5670 -14.9255 -14.9255 -14.6660 -14.6660 2.1148 2.1148 2.8128 2.8128 3.3237 3.3237 3.4676 3.4676 3.8698 3.8698 4.7102 4.7102 11.7149 11.7149 12.0049 12.0049 12.7743 12.7743 12.8002 12.8002 13.3780 13.3780 k = 0.2654 0.1532 0.4334 ( 2790 PWs) bands (ev): -46.4805 -46.4805 -23.2483 -23.2483 -22.6318 -22.6318 -22.5655 -22.5655 -14.9396 -14.9396 -14.6575 -14.6575 2.1324 2.1324 2.8428 2.8428 3.3570 3.3570 3.4274 3.4274 3.8279 3.8279 4.7045 4.7045 11.7221 11.7221 11.9961 11.9961 12.7905 12.7905 12.8136 12.8136 13.3896 13.3896 k = 0.2596 0.1499 0.4240 ( 2790 PWs) bands (ev): -46.4807 -46.4807 -23.2470 -23.2470 -22.6302 -22.6302 -22.5639 -22.5639 -14.9541 -14.9541 -14.6487 -14.6487 2.1492 2.1492 2.8744 2.8744 3.3872 3.3872 3.3909 3.3909 3.7850 3.7850 4.6995 4.6995 11.7292 11.7292 11.9872 11.9872 12.8065 12.8065 12.8284 12.8284 13.4013 13.4013 k = 0.2538 0.1466 0.4145 ( 2790 PWs) bands (ev): -46.4810 -46.4810 -23.2456 -23.2456 -22.6285 -22.6285 -22.5623 -22.5623 -14.9691 -14.9691 -14.6397 -14.6397 2.1651 2.1651 2.9077 2.9077 3.3472 3.3472 3.4253 3.4253 3.7410 3.7410 4.6950 4.6950 11.7363 11.7363 11.9782 11.9782 12.8223 12.8223 12.8444 12.8444 13.4132 13.4132 k = 0.2481 0.1432 0.4051 ( 2778 PWs) bands (ev): -46.4812 -46.4812 -23.2441 -23.2441 -22.6267 -22.6267 -22.5607 -22.5607 -14.9845 -14.9845 -14.6303 -14.6303 2.1802 2.1802 2.9426 2.9426 3.3073 3.3073 3.4602 3.4602 3.6962 3.6962 4.6910 4.6910 11.7433 11.7433 11.9693 11.9693 12.8379 12.8379 12.8617 12.8617 13.4251 13.4251 k = 0.2423 0.1399 0.3957 ( 2794 PWs) bands (ev): -46.4814 -46.4814 -23.2425 -23.2425 -22.6248 -22.6248 -22.5590 -22.5590 -15.0004 -15.0004 -14.6207 -14.6207 2.1944 2.1944 2.9789 2.9789 3.2676 3.2676 3.4955 3.4955 3.6506 3.6506 4.6874 4.6874 11.7501 11.7501 11.9603 11.9603 12.8533 12.8533 12.8801 12.8801 13.4372 13.4372 k = 0.2365 0.1366 0.3863 ( 2790 PWs) bands (ev): -46.4817 -46.4817 -23.2409 -23.2409 -22.6228 -22.6228 -22.5574 -22.5574 -15.0166 -15.0166 -14.6108 -14.6108 2.2078 2.2078 3.0167 3.0167 3.2282 3.2282 3.5312 3.5312 3.6044 3.6044 4.6843 4.6843 11.7567 11.7567 11.9513 11.9513 12.8686 12.8686 12.8996 12.8996 13.4493 13.4493 k = 0.2308 0.1332 0.3768 ( 2786 PWs) bands (ev): -46.4819 -46.4819 -23.2392 -23.2392 -22.6207 -22.6207 -22.5558 -22.5558 -15.0332 -15.0332 -14.6007 -14.6007 2.2204 2.2204 3.0559 3.0559 3.1891 3.1891 3.5575 3.5575 3.5675 3.5675 4.6815 4.6815 11.7630 11.7630 11.9423 11.9423 12.8839 12.8839 12.9202 12.9202 13.4615 13.4615 k = 0.2250 0.1299 0.3674 ( 2796 PWs) bands (ev): -46.4822 -46.4822 -23.2375 -23.2375 -22.6185 -22.6185 -22.5541 -22.5541 -15.0502 -15.0502 -14.5904 -14.5904 2.2322 2.2322 3.0961 3.0961 3.1506 3.1506 3.5104 3.5104 3.6039 3.6039 4.6790 4.6790 11.7689 11.7689 11.9332 11.9332 12.8992 12.8992 12.9418 12.9418 13.4738 13.4738 k = 0.2192 0.1266 0.3580 ( 2796 PWs) bands (ev): -46.4825 -46.4825 -23.2357 -23.2357 -22.6161 -22.6161 -22.5525 -22.5525 -15.0675 -15.0675 -14.5798 -14.5798 2.2432 2.2432 3.1108 3.1108 3.1393 3.1393 3.4630 3.4630 3.6406 3.6406 4.6769 4.6769 11.7744 11.7744 11.9241 11.9241 12.9145 12.9145 12.9643 12.9643 13.4860 13.4860 k = 0.2135 0.1232 0.3486 ( 2800 PWs) bands (ev): -46.4827 -46.4827 -23.2338 -23.2338 -22.6137 -22.6137 -22.5509 -22.5509 -15.0851 -15.0851 -14.5690 -14.5690 2.2533 2.2533 3.0736 3.0736 3.1816 3.1816 3.4154 3.4154 3.6776 3.6776 4.6749 4.6749 11.7794 11.7794 11.9149 11.9149 12.9299 12.9299 12.9877 12.9877 13.4983 13.4983 k = 0.2077 0.1199 0.3392 ( 2802 PWs) bands (ev): -46.4830 -46.4830 -23.2319 -23.2319 -22.6112 -22.6112 -22.5493 -22.5493 -15.1029 -15.1029 -14.5581 -14.5581 2.2627 2.2627 3.0362 3.0362 3.2256 3.2256 3.3677 3.3677 3.7148 3.7148 4.6732 4.6732 11.7838 11.7838 11.9057 11.9057 12.9453 12.9453 13.0119 13.0119 13.5105 13.5105 k = 0.2019 0.1166 0.3297 ( 2814 PWs) bands (ev): -46.4833 -46.4833 -23.2299 -23.2299 -22.6086 -22.6086 -22.5478 -22.5478 -15.1209 -15.1209 -14.5470 -14.5470 2.2713 2.2713 2.9993 2.9993 3.2703 3.2703 3.3205 3.3205 3.7522 3.7522 4.6716 4.6716 11.7876 11.7876 11.8965 11.8965 12.9609 12.9609 13.0369 13.0369 13.5227 13.5227 k = 0.1962 0.1132 0.3203 ( 2812 PWs) bands (ev): -46.4836 -46.4836 -23.2279 -23.2279 -22.6058 -22.6058 -22.5463 -22.5463 -15.1391 -15.1391 -14.5357 -14.5357 2.2791 2.2791 2.9630 2.9630 3.2713 3.2713 3.3182 3.3182 3.7897 3.7897 4.6702 4.6702 11.7907 11.7907 11.8872 11.8872 12.9764 12.9764 13.0625 13.0625 13.5348 13.5348 k = 0.1904 0.1099 0.3109 ( 2812 PWs) bands (ev): -46.4839 -46.4839 -23.2258 -23.2258 -22.6030 -22.6030 -22.5448 -22.5448 -15.1574 -15.1574 -14.5244 -14.5244 2.2861 2.2861 2.9273 2.9273 3.2245 3.2245 3.3648 3.3648 3.8272 3.8272 4.6690 4.6690 11.7930 11.7930 11.8780 11.8780 12.9919 12.9919 13.0888 13.0888 13.5468 13.5468 k = 0.1846 0.1066 0.3015 ( 2808 PWs) bands (ev): -46.4842 -46.4842 -23.2238 -23.2238 -22.6001 -22.6001 -22.5434 -22.5434 -15.1759 -15.1759 -14.5129 -14.5129 2.2924 2.2924 2.8922 2.8922 3.1776 3.1776 3.4128 3.4128 3.8646 3.8646 4.6678 4.6678 11.7946 11.7946 11.8687 11.8687 13.0073 13.0073 13.1157 13.1157 13.5588 13.5588 k = 0.1788 0.1033 0.2921 ( 2804 PWs) bands (ev): -46.4845 -46.4845 -23.2217 -23.2217 -22.5972 -22.5972 -22.5420 -22.5420 -15.1944 -15.1944 -14.5014 -14.5014 2.2979 2.2979 2.8578 2.8578 3.1310 3.1310 3.4616 3.4616 3.9020 3.9020 4.6667 4.6667 11.7953 11.7953 11.8594 11.8594 13.0223 13.0223 13.1430 13.1430 13.5706 13.5706 k = 0.1731 0.0999 0.2826 ( 2804 PWs) bands (ev): -46.4848 -46.4848 -23.2195 -23.2195 -22.5941 -22.5941 -22.5407 -22.5407 -15.2129 -15.2129 -14.4899 -14.4899 2.3026 2.3026 2.8242 2.8242 3.0849 3.0849 3.5112 3.5112 3.9393 3.9393 4.6657 4.6657 11.7952 11.7952 11.8500 11.8500 13.0369 13.0369 13.1708 13.1708 13.5823 13.5823 k = 0.1673 0.0966 0.2732 ( 2806 PWs) bands (ev): -46.4851 -46.4851 -23.2174 -23.2174 -22.5910 -22.5910 -22.5394 -22.5394 -15.2314 -15.2314 -14.4783 -14.4783 2.3067 2.3067 2.7913 2.7913 3.0394 3.0394 3.5614 3.5614 3.9764 3.9764 4.6647 4.6647 11.7943 11.7943 11.8407 11.8407 13.0506 13.0506 13.1990 13.1990 13.5938 13.5938 k = 0.1615 0.0933 0.2638 ( 2804 PWs) bands (ev): -46.4854 -46.4854 -23.2152 -23.2152 -22.5878 -22.5878 -22.5382 -22.5382 -15.2498 -15.2498 -14.4667 -14.4667 2.3101 2.3101 2.7592 2.7592 2.9946 2.9946 3.6121 3.6121 4.0132 4.0132 4.6638 4.6638 11.7926 11.7926 11.8314 11.8314 13.0632 13.0632 13.2274 13.2274 13.6051 13.6051 k = 0.1558 0.0899 0.2544 ( 2800 PWs) bands (ev): -46.4857 -46.4857 -23.2131 -23.2131 -22.5846 -22.5846 -22.5370 -22.5370 -15.2681 -15.2681 -14.4552 -14.4552 2.3128 2.3128 2.7280 2.7280 2.9506 2.9506 3.6633 3.6633 4.0497 4.0497 4.6629 4.6629 11.7901 11.7901 11.8221 11.8221 13.0741 13.0741 13.2560 13.2560 13.6163 13.6163 k = 0.1500 0.0866 0.2449 ( 2796 PWs) bands (ev): -46.4860 -46.4860 -23.2109 -23.2109 -22.5814 -22.5814 -22.5358 -22.5358 -15.2863 -15.2863 -14.4438 -14.4438 2.3149 2.3149 2.6976 2.6976 2.9075 2.9075 3.7148 3.7148 4.0857 4.0857 4.6620 4.6620 11.7868 11.7868 11.8128 11.8128 13.0826 13.0826 13.2848 13.2848 13.6272 13.6272 k = 0.1442 0.0833 0.2355 ( 2798 PWs) bands (ev): -46.4863 -46.4863 -23.2088 -23.2088 -22.5781 -22.5781 -22.5347 -22.5347 -15.3042 -15.3042 -14.4324 -14.4324 2.3163 2.3163 2.6681 2.6681 2.8652 2.8652 3.7664 3.7664 4.1213 4.1213 4.6612 4.6612 11.7828 11.7828 11.8036 11.8036 13.0880 13.0880 13.3136 13.3136 13.6379 13.6379 k = 0.1385 0.0799 0.2261 ( 2790 PWs) bands (ev): -46.4866 -46.4866 -23.2067 -23.2067 -22.5748 -22.5748 -22.5337 -22.5337 -15.3219 -15.3219 -14.4212 -14.4212 2.3173 2.3173 2.6395 2.6395 2.8240 2.8240 3.8182 3.8182 4.1564 4.1564 4.6603 4.6603 11.7782 11.7782 11.7944 11.7944 13.0893 13.0893 13.3423 13.3423 13.6483 13.6483 k = 0.1327 0.0766 0.2167 ( 2786 PWs) bands (ev): -46.4869 -46.4869 -23.2046 -23.2046 -22.5715 -22.5715 -22.5327 -22.5327 -15.3393 -15.3393 -14.4101 -14.4101 2.3176 2.3176 2.6119 2.6119 2.7839 2.7839 3.8698 3.8698 4.1908 4.1908 4.6595 4.6595 11.7729 11.7729 11.7853 11.7853 13.0854 13.0854 13.3710 13.3710 13.6584 13.6584 k = 0.1269 0.0733 0.2073 ( 2790 PWs) bands (ev): -46.4872 -46.4872 -23.2025 -23.2025 -22.5682 -22.5682 -22.5318 -22.5318 -15.3564 -15.3564 -14.3992 -14.3992 2.3175 2.3175 2.5852 2.5852 2.7450 2.7450 3.9212 3.9212 4.2246 4.2246 4.6586 4.6586 11.7671 11.7671 11.7764 11.7764 13.0749 13.0749 13.3994 13.3994 13.6682 13.6682 k = 0.1212 0.0699 0.1978 ( 2784 PWs) bands (ev): -46.4875 -46.4875 -23.2005 -23.2005 -22.5649 -22.5649 -22.5309 -22.5309 -15.3731 -15.3731 -14.3886 -14.3886 2.3170 2.3170 2.5596 2.5596 2.7073 2.7073 3.9723 3.9723 4.2575 4.2575 4.6578 4.6578 11.7608 11.7608 11.7676 11.7676 13.0569 13.0569 13.4276 13.4276 13.6777 13.6777 k = 0.1154 0.0666 0.1884 ( 2780 PWs) bands (ev): -46.4878 -46.4878 -23.1985 -23.1985 -22.5617 -22.5617 -22.5301 -22.5301 -15.3893 -15.3893 -14.3782 -14.3782 2.3161 2.3161 2.5350 2.5350 2.6709 2.6709 4.0228 4.0228 4.2897 4.2897 4.6570 4.6570 11.7540 11.7541 11.7590 11.7590 13.0305 13.0305 13.4553 13.4553 13.6869 13.6869 k = 0.1096 0.0633 0.1790 ( 2776 PWs) bands (ev): -46.4880 -46.4880 -23.1966 -23.1966 -22.5585 -22.5585 -22.5293 -22.5293 -15.4051 -15.4051 -14.3681 -14.3681 2.3147 2.3147 2.5115 2.5115 2.6359 2.6359 4.0725 4.0725 4.3209 4.3209 4.6562 4.6562 11.7469 11.7469 11.7507 11.7507 12.9957 12.9957 13.4826 13.4826 13.6955 13.6955 k = 0.1038 0.0600 0.1696 ( 2772 PWs) bands (ev): -46.4883 -46.4883 -23.1948 -23.1948 -22.5553 -22.5553 -22.5286 -22.5286 -15.4204 -15.4204 -14.3583 -14.3583 2.3131 2.3131 2.4890 2.4890 2.6023 2.6023 4.1213 4.1213 4.3511 4.3511 4.6555 4.6555 11.7394 11.7394 11.7428 11.7428 12.9532 12.9532 13.5093 13.5093 13.7036 13.7036 k = 0.0981 0.0566 0.1602 ( 2772 PWs) bands (ev): -46.4886 -46.4886 -23.1930 -23.1930 -22.5522 -22.5522 -22.5279 -22.5279 -15.4351 -15.4351 -14.3488 -14.3488 2.3112 2.3112 2.4677 2.4677 2.5703 2.5703 4.1691 4.1691 4.3802 4.3802 4.6548 4.6548 11.7318 11.7318 11.7350 11.7350 12.9045 12.9045 13.5352 13.5352 13.7103 13.7104 k = 0.0923 0.0533 0.1507 ( 2771 PWs) bands (ev): -46.4888 -46.4888 -23.1913 -23.1913 -22.5492 -22.5492 -22.5272 -22.5272 -15.4492 -15.4492 -14.3397 -14.3397 2.3090 2.3090 2.4475 2.4475 2.5398 2.5398 4.2155 4.2155 4.4082 4.4082 4.6541 4.6541 11.7241 11.7241 11.7275 11.7275 12.8511 12.8511 13.5604 13.5604 13.7129 13.7130 k = 0.0865 0.0500 0.1413 ( 2771 PWs) bands (ev): -46.4890 -46.4890 -23.1897 -23.1897 -22.5463 -22.5463 -22.5267 -22.5267 -15.4627 -15.4627 -14.3310 -14.3310 2.3066 2.3066 2.4284 2.4284 2.5110 2.5110 4.2603 4.2603 4.4350 4.4350 4.6535 4.6535 11.7166 11.7166 11.7201 11.7201 12.7950 12.7950 13.5847 13.5847 13.7116 13.7116 k = 0.0808 0.0466 0.1319 ( 2771 PWs) bands (ev): -46.4892 -46.4892 -23.1881 -23.1881 -22.5436 -22.5436 -22.5261 -22.5261 -15.4755 -15.4755 -14.3227 -14.3227 2.3040 2.3040 2.4106 2.4106 2.4838 2.4838 4.3034 4.3034 4.4605 4.4605 4.6530 4.6530 11.7093 11.7093 11.7129 11.7129 12.7375 12.7375 13.6081 13.6081 13.7122 13.7122 k = 0.0750 0.0433 0.1225 ( 2771 PWs) bands (ev): -46.4895 -46.4895 -23.1867 -23.1867 -22.5409 -22.5409 -22.5256 -22.5256 -15.4875 -15.4875 -14.3148 -14.3148 2.3011 2.3011 2.3940 2.3940 2.4584 2.4584 4.3446 4.3446 4.4848 4.4848 4.6526 4.6526 11.7024 11.7024 11.7058 11.7058 12.6801 12.6801 13.6303 13.6303 13.7154 13.7154 k = 0.0692 0.0400 0.1131 ( 2773 PWs) bands (ev): -46.4896 -46.4896 -23.1853 -23.1853 -22.5384 -22.5384 -22.5252 -22.5252 -15.4989 -15.4989 -14.3075 -14.3075 2.2981 2.2981 2.3786 2.3786 2.4349 2.4349 4.3834 4.3834 4.5076 4.5076 4.6524 4.6524 11.6958 11.6958 11.6991 11.6991 12.6239 12.6239 13.6513 13.6513 13.7205 13.7205 k = 0.0635 0.0366 0.1036 ( 2771 PWs) bands (ev): -46.4898 -46.4898 -23.1840 -23.1840 -22.5360 -22.5360 -22.5247 -22.5247 -15.5094 -15.5094 -14.3006 -14.3006 2.2949 2.2949 2.3646 2.3646 2.4131 2.4131 4.4197 4.4197 4.5291 4.5291 4.6523 4.6523 11.6895 11.6895 11.6926 11.6926 12.5698 12.5698 13.6710 13.6710 13.7270 13.7270 k = 0.0577 0.0333 0.0942 ( 2771 PWs) bands (ev): -46.4900 -46.4900 -23.1828 -23.1828 -22.5338 -22.5338 -22.5244 -22.5244 -15.5192 -15.5192 -14.2942 -14.2942 2.2915 2.2915 2.3520 2.3520 2.3934 2.3934 4.4532 4.4532 4.5492 4.5492 4.6525 4.6525 11.6837 11.6837 11.6864 11.6864 12.5185 12.5185 13.6893 13.6893 13.7341 13.7341 k = 0.0519 0.0300 0.0848 ( 2759 PWs) bands (ev): -46.4902 -46.4902 -23.1818 -23.1818 -22.5317 -22.5317 -22.5240 -22.5240 -15.5281 -15.5281 -14.2884 -14.2884 2.2877 2.2877 2.3409 2.3409 2.3755 2.3755 4.4835 4.4835 4.5679 4.5679 4.6529 4.6529 11.6784 11.6784 11.6807 11.6807 12.4705 12.4705 13.7061 13.7061 13.7415 13.7415 k = 0.0462 0.0266 0.0754 ( 2751 PWs) bands (ev): -46.4903 -46.4903 -23.1808 -23.1808 -22.5299 -22.5299 -22.5237 -22.5237 -15.5361 -15.5361 -14.2832 -14.2832 2.2836 2.2836 2.3313 2.3313 2.3597 2.3597 4.5103 4.5103 4.5854 4.5854 4.6537 4.6537 11.6735 11.6735 11.6755 11.6755 12.4265 12.4265 13.7213 13.7213 13.7487 13.7487 k = 0.0404 0.0233 0.0659 ( 2747 PWs) bands (ev): -46.4904 -46.4904 -23.1799 -23.1799 -22.5282 -22.5282 -22.5235 -22.5235 -15.5433 -15.5433 -14.2785 -14.2785 2.2793 2.2793 2.3233 2.3233 2.3459 2.3459 4.5333 4.5333 4.6016 4.6016 4.6547 4.6547 11.6691 11.6691 11.6707 11.6707 12.3868 12.3868 13.7348 13.7348 13.7555 13.7555 k = 0.0346 0.0200 0.0565 ( 2739 PWs) bands (ev): -46.4905 -46.4905 -23.1792 -23.1792 -22.5268 -22.5268 -22.5233 -22.5233 -15.5495 -15.5495 -14.2744 -14.2744 2.2747 2.2747 2.3169 2.3169 2.3340 2.3340 4.5523 4.5523 4.6165 4.6165 4.6562 4.6562 11.6653 11.6653 11.6665 11.6665 12.3517 12.3517 13.7465 13.7465 13.7616 13.7616 k = 0.0288 0.0167 0.0471 ( 2739 PWs) bands (ev): -46.4906 -46.4906 -23.1786 -23.1786 -22.5255 -22.5255 -22.5231 -22.5231 -15.5549 -15.5549 -14.2709 -14.2709 2.2701 2.2701 2.3120 2.3120 2.3242 2.3242 4.5672 4.5672 4.6301 4.6301 4.6580 4.6580 11.6620 11.6620 11.6629 11.6629 12.3216 12.3216 13.7563 13.7563 13.7667 13.7667 k = 0.0231 0.0133 0.0377 ( 2739 PWs) bands (ev): -46.4907 -46.4907 -23.1780 -23.1780 -22.5245 -22.5245 -22.5229 -22.5229 -15.5592 -15.5592 -14.2681 -14.2681 2.2659 2.2659 2.3083 2.3083 2.3162 2.3162 4.5784 4.5784 4.6419 4.6419 4.6599 4.6599 11.6593 11.6593 11.6599 11.6599 12.2966 12.2966 13.7642 13.7642 13.7709 13.7709 k = 0.0173 0.0100 0.0283 ( 2739 PWs) bands (ev): -46.4907 -46.4907 -23.1776 -23.1776 -22.5237 -22.5237 -22.5228 -22.5228 -15.5627 -15.5627 -14.2658 -14.2658 2.2623 2.2623 2.3056 2.3056 2.3101 2.3101 4.5864 4.5864 4.6517 4.6517 4.6618 4.6618 11.6572 11.6572 11.6575 11.6575 12.2770 12.2770 13.7702 13.7702 13.7740 13.7740 k = 0.0115 0.0067 0.0188 ( 2739 PWs) bands (ev): -46.4908 -46.4908 -23.1773 -23.1773 -22.5231 -22.5231 -22.5227 -22.5227 -15.5651 -15.5651 -14.2642 -14.2642 2.2595 2.2595 2.3038 2.3038 2.3058 2.3058 4.5916 4.5916 4.6589 4.6589 4.6634 4.6634 11.6556 11.6556 11.6558 11.6558 12.2629 12.2629 13.7744 13.7744 13.7761 13.7761 k = 0.0058 0.0033 0.0094 ( 2739 PWs) bands (ev): -46.4908 -46.4908 -23.1772 -23.1772 -22.5228 -22.5228 -22.5227 -22.5227 -15.5666 -15.5666 -14.2633 -14.2633 2.2577 2.2577 2.3027 2.3027 2.3032 2.3032 4.5945 4.5945 4.6634 4.6634 4.6645 4.6645 11.6547 11.6547 11.6547 11.6547 12.2544 12.2544 13.7769 13.7769 13.7773 13.7773 k = 0.0000 0.0000 0.0000 ( 2741 PWs) bands (ev): -46.4908 -46.4908 -23.1771 -23.1771 -22.5227 -22.5227 -22.5226 -22.5226 -15.5671 -15.5671 -14.2629 -14.2629 2.2571 2.2571 2.3024 2.3024 2.3024 2.3024 4.5954 4.5954 4.6649 4.6649 4.6649 4.6649 11.6544 11.6544 11.6544 11.6544 12.2515 12.2515 13.7777 13.7777 13.7777 13.7777 k = 0.0000 0.0000 0.0000 ( 2741 PWs) bands (ev): -46.4908 -46.4908 -23.1771 -23.1771 -22.5227 -22.5227 -22.5226 -22.5226 -15.5671 -15.5671 -14.2629 -14.2629 2.2571 2.2571 2.3024 2.3024 2.3024 2.3024 4.5954 4.5954 4.6649 4.6649 4.6649 4.6649 11.6544 11.6544 11.6544 11.6544 12.2515 12.2515 13.7777 13.7777 13.7777 13.7777 k = 0.0094 0.0054 0.0039 ( 2740 PWs) bands (ev): -46.4908 -46.4908 -23.1772 -23.1772 -22.5228 -22.5228 -22.5227 -22.5227 -15.5666 -15.5666 -14.2633 -14.2633 2.2577 2.2577 2.3029 2.3029 2.3031 2.3031 4.5945 4.5945 4.6636 4.6636 4.6643 4.6643 11.6547 11.6547 11.6547 11.6547 12.2544 12.2544 13.7768 13.7768 13.7773 13.7773 k = 0.0189 0.0109 0.0077 ( 2740 PWs) bands (ev): -46.4908 -46.4908 -23.1773 -23.1773 -22.5231 -22.5231 -22.5227 -22.5227 -15.5651 -15.5651 -14.2642 -14.2642 2.2595 2.2595 2.3043 2.3043 2.3053 2.3053 4.5916 4.5916 4.6599 4.6599 4.6623 4.6623 11.6557 11.6557 11.6557 11.6557 12.2629 12.2629 13.7742 13.7742 13.7762 13.7762 k = 0.0283 0.0163 0.0116 ( 2737 PWs) bands (ev): -46.4907 -46.4907 -23.1776 -23.1776 -22.5237 -22.5237 -22.5228 -22.5228 -15.5626 -15.5626 -14.2658 -14.2658 2.2625 2.2625 2.3066 2.3066 2.3089 2.3089 4.5868 4.5868 4.6538 4.6538 4.6591 4.6591 11.6573 11.6573 11.6574 11.6574 12.2770 12.2770 13.7697 13.7697 13.7744 13.7744 k = 0.0377 0.0218 0.0154 ( 2737 PWs) bands (ev): -46.4907 -46.4907 -23.1780 -23.1780 -22.5245 -22.5245 -22.5229 -22.5229 -15.5592 -15.5592 -14.2681 -14.2681 2.2665 2.2665 2.3099 2.3099 2.3140 2.3140 4.5799 4.5799 4.6456 4.6456 4.6547 4.6547 11.6595 11.6595 11.6597 11.6597 12.2967 12.2967 13.7631 13.7631 13.7718 13.7718 k = 0.0472 0.0272 0.0193 ( 2737 PWs) bands (ev): -46.4906 -46.4906 -23.1786 -23.1786 -22.5256 -22.5256 -22.5230 -22.5230 -15.5548 -15.5548 -14.2710 -14.2710 2.2716 2.2716 2.3142 2.3142 2.3206 2.3206 4.5706 4.5706 4.6355 4.6355 4.6489 4.6489 11.6623 11.6623 11.6626 11.6626 12.3216 12.3216 13.7546 13.7546 13.7685 13.7685 k = 0.0566 0.0327 0.0231 ( 2737 PWs) bands (ev): -46.4905 -46.4905 -23.1792 -23.1792 -22.5269 -22.5269 -22.5231 -22.5231 -15.5495 -15.5495 -14.2744 -14.2744 2.2777 2.2777 2.3193 2.3193 2.3287 2.3287 4.5587 4.5587 4.6240 4.6240 4.6420 4.6420 11.6657 11.6657 11.6662 11.6662 12.3517 12.3517 13.7441 13.7441 13.7646 13.7646 k = 0.0660 0.0381 0.0270 ( 2743 PWs) bands (ev): -46.4904 -46.4904 -23.1799 -23.1799 -22.5284 -22.5284 -22.5233 -22.5233 -15.5433 -15.5433 -14.2785 -14.2785 2.2847 2.2847 2.3254 2.3254 2.3384 2.3384 4.5440 4.5440 4.6114 4.6114 4.6338 4.6338 11.6697 11.6697 11.6703 11.6703 12.3867 12.3867 13.7319 13.7319 13.7599 13.7599 k = 0.0755 0.0436 0.0308 ( 2749 PWs) bands (ev): -46.4903 -46.4903 -23.1808 -23.1808 -22.5301 -22.5301 -22.5235 -22.5235 -15.5361 -15.5361 -14.2832 -14.2832 2.2926 2.2926 2.3324 2.3324 2.3497 2.3497 4.5263 4.5263 4.5981 4.5981 4.6244 4.6244 11.6742 11.6742 11.6750 11.6750 12.4261 12.4261 13.7184 13.7184 13.7546 13.7546 k = 0.0849 0.0490 0.0347 ( 2761 PWs) bands (ev): -46.4902 -46.4902 -23.1818 -23.1818 -22.5320 -22.5320 -22.5238 -22.5238 -15.5280 -15.5280 -14.2885 -14.2885 2.3013 2.3013 2.3403 2.3403 2.3625 2.3625 4.5055 4.5055 4.5842 4.5842 4.6139 4.6139 11.6792 11.6792 11.6802 11.6802 12.4697 12.4697 13.7039 13.7039 13.7487 13.7487 k = 0.0943 0.0545 0.0385 ( 2761 PWs) bands (ev): -46.4900 -46.4900 -23.1828 -23.1828 -22.5341 -22.5341 -22.5240 -22.5240 -15.5191 -15.5191 -14.2943 -14.2943 2.3109 2.3109 2.3490 2.3490 2.3768 2.3768 4.4818 4.4818 4.5698 4.5698 4.6023 4.6023 11.6847 11.6847 11.6860 11.6860 12.5169 12.5169 13.6888 13.6888 13.7422 13.7422 k = 0.1038 0.0599 0.0424 ( 2767 PWs) bands (ev): -46.4898 -46.4898 -23.1840 -23.1840 -22.5364 -22.5364 -22.5243 -22.5243 -15.5094 -15.5094 -14.3007 -14.3007 2.3212 2.3212 2.3587 2.3587 2.3925 2.3925 4.4554 4.4554 4.5549 4.5549 4.5896 4.5896 11.6906 11.6906 11.6921 11.6921 12.5671 12.5671 13.6737 13.6737 13.7351 13.7352 k = 0.1132 0.0654 0.0462 ( 2767 PWs) bands (ev): -46.4896 -46.4896 -23.1853 -23.1853 -22.5389 -22.5389 -22.5246 -22.5246 -15.4989 -15.4989 -14.3075 -14.3075 2.3323 2.3323 2.3691 2.3691 2.4096 2.4096 4.4267 4.4267 4.5394 4.5394 4.5758 4.5758 11.6969 11.6969 11.6987 11.6987 12.6196 12.6196 13.6593 13.6593 13.7276 13.7276 k = 0.1226 0.0708 0.0501 ( 2764 PWs) bands (ev): -46.4895 -46.4895 -23.1867 -23.1867 -22.5416 -22.5416 -22.5249 -22.5249 -15.4876 -15.4876 -14.3149 -14.3149 2.3441 2.3441 2.3804 2.3804 2.4281 2.4281 4.3958 4.3958 4.5233 4.5233 4.5610 4.5610 11.7036 11.7036 11.7057 11.7057 12.6732 12.6732 13.6464 13.6464 13.7195 13.7195 k = 0.1321 0.0763 0.0539 ( 2764 PWs) bands (ev): -46.4892 -46.4892 -23.1881 -23.1881 -22.5443 -22.5443 -22.5252 -22.5252 -15.4755 -15.4755 -14.3228 -14.3228 2.3566 2.3566 2.3925 2.3925 2.4478 2.4478 4.3630 4.3630 4.5065 4.5065 4.5453 4.5453 11.7106 11.7106 11.7129 11.7129 12.7270 12.7270 13.6362 13.6362 13.7110 13.7110 k = 0.1415 0.0817 0.0578 ( 2770 PWs) bands (ev): -46.4890 -46.4890 -23.1897 -23.1897 -22.5473 -22.5473 -22.5256 -22.5256 -15.4628 -15.4628 -14.3311 -14.3311 2.3699 2.3699 2.4054 2.4054 2.4687 2.4687 4.3286 4.3286 4.4890 4.4890 4.5287 4.5287 11.7178 11.7178 11.7205 11.7205 12.7791 12.7791 13.6302 13.6302 13.7020 13.7020 k = 0.1509 0.0871 0.0616 ( 2770 PWs) bands (ev): -46.4888 -46.4888 -23.1913 -23.1913 -22.5503 -22.5503 -22.5260 -22.5260 -15.4494 -15.4494 -14.3398 -14.3398 2.3838 2.3838 2.4190 2.4190 2.4906 2.4906 4.2928 4.2928 4.4708 4.4708 4.5111 4.5111 11.7252 11.7252 11.7283 11.7283 12.8279 12.8279 13.6301 13.6301 13.6928 13.6928 k = 0.1604 0.0926 0.0655 ( 2782 PWs) bands (ev): -46.4886 -46.4886 -23.1930 -23.1930 -22.5535 -22.5535 -22.5264 -22.5264 -15.4355 -15.4355 -14.3489 -14.3489 2.3984 2.3984 2.4334 2.4334 2.5136 2.5136 4.2559 4.2559 4.4519 4.4519 4.4928 4.4928 11.7328 11.7328 11.7362 11.7362 12.8712 12.8712 13.6379 13.6379 13.6832 13.6832 k = 0.1698 0.0980 0.0693 ( 2788 PWs) bands (ev): -46.4883 -46.4883 -23.1948 -23.1948 -22.5567 -22.5567 -22.5268 -22.5268 -15.4209 -15.4209 -14.3583 -14.3583 2.4137 2.4137 2.4484 2.4484 2.5374 2.5374 4.2180 4.2180 4.4324 4.4324 4.4737 4.4737 11.7405 11.7405 11.7443 11.7443 12.9068 12.9068 13.6551 13.6551 13.6733 13.6733 k = 0.1792 0.1035 0.0732 ( 2788 PWs) bands (ev): -46.4881 -46.4881 -23.1967 -23.1967 -22.5601 -22.5601 -22.5272 -22.5272 -15.4058 -15.4058 -14.3681 -14.3681 2.4296 2.4296 2.4642 2.4642 2.5620 2.5620 4.1793 4.1793 4.4122 4.4122 4.4539 4.4539 11.7483 11.7483 11.7525 11.7525 12.9331 12.9331 13.6633 13.6633 13.6737 13.6737 k = 0.1887 0.1089 0.0770 ( 2794 PWs) bands (ev): -46.4878 -46.4878 -23.1986 -23.1986 -22.5635 -22.5635 -22.5276 -22.5276 -15.3903 -15.3903 -14.3782 -14.3782 2.4462 2.4462 2.4806 2.4806 2.5872 2.5872 4.1401 4.1401 4.3914 4.3914 4.4334 4.4334 11.7561 11.7561 11.7607 11.7607 12.9492 12.9492 13.6530 13.6530 13.6675 13.6675 k = 0.1981 0.1144 0.0809 ( 2797 PWs) bands (ev): -46.4875 -46.4875 -23.2006 -23.2006 -22.5670 -22.5670 -22.5281 -22.5281 -15.3743 -15.3743 -14.3886 -14.3886 2.4633 2.4633 2.4976 2.4976 2.6131 2.6131 4.1004 4.1004 4.3701 4.3701 4.4123 4.4123 11.7639 11.7639 11.7689 11.7689 12.9557 12.9557 13.6427 13.6427 13.6580 13.6580 k = 0.2075 0.1198 0.0847 ( 2788 PWs) bands (ev): -46.4872 -46.4872 -23.2026 -23.2026 -22.5705 -22.5705 -22.5285 -22.5285 -15.3580 -15.3580 -14.3992 -14.3992 2.4809 2.4809 2.5152 2.5152 2.6394 2.6394 4.0605 4.0605 4.3482 4.3482 4.3907 4.3907 11.7717 11.7717 11.7771 11.7771 12.9535 12.9535 13.6322 13.6322 13.6482 13.6482 k = 0.2170 0.1253 0.0886 ( 2788 PWs) bands (ev): -46.4870 -46.4870 -23.2047 -23.2047 -22.5741 -22.5741 -22.5290 -22.5290 -15.3413 -15.3413 -14.4101 -14.4101 2.4991 2.4991 2.5333 2.5333 2.6661 2.6661 4.0206 4.0206 4.3259 4.3259 4.3686 4.3686 11.7793 11.7793 11.7851 11.7851 12.9443 12.9443 13.6218 13.6218 13.6382 13.6382 k = 0.2264 0.1307 0.0924 ( 2788 PWs) bands (ev): -46.4867 -46.4867 -23.2068 -23.2068 -22.5776 -22.5776 -22.5295 -22.5295 -15.3243 -15.3243 -14.4211 -14.4211 2.5178 2.5178 2.5520 2.5520 2.6931 2.6931 3.9806 3.9806 4.3031 4.3031 4.3460 4.3460 11.7868 11.7868 11.7930 11.7930 12.9297 12.9297 13.6113 13.6113 13.6281 13.6281 k = 0.2358 0.1362 0.0963 ( 2788 PWs) bands (ev): -46.4864 -46.4864 -23.2089 -23.2089 -22.5812 -22.5812 -22.5299 -22.5299 -15.3071 -15.3071 -14.4323 -14.4323 2.5370 2.5370 2.5711 2.5711 2.7203 2.7203 3.9409 3.9409 4.2800 4.2800 4.3230 4.3230 11.7940 11.7940 11.8007 11.8007 12.9110 12.9110 13.6010 13.6010 13.6182 13.6182 k = 0.2453 0.1416 0.1001 ( 2794 PWs) bands (ev): -46.4861 -46.4861 -23.2111 -23.2111 -22.5848 -22.5848 -22.5304 -22.5304 -15.2897 -15.2897 -14.4435 -14.4435 2.5566 2.5566 2.5907 2.5907 2.7475 2.7475 3.9016 3.9016 4.2566 4.2566 4.2997 4.2997 11.8011 11.8011 11.8082 11.8082 12.8894 12.8894 13.5907 13.5907 13.6083 13.6083 k = 0.2547 0.1471 0.1040 ( 2788 PWs) bands (ev): -46.4858 -46.4858 -23.2132 -23.2132 -22.5883 -22.5883 -22.5309 -22.5309 -15.2722 -15.2722 -14.4549 -14.4549 2.5765 2.5765 2.6106 2.6106 2.7747 2.7747 3.8627 3.8627 4.2329 4.2329 4.2761 4.2761 11.8079 11.8079 11.8154 11.8154 12.8658 12.8658 13.5806 13.5806 13.5986 13.5986 k = 0.2642 0.1525 0.1078 ( 2800 PWs) bands (ev): -46.4855 -46.4855 -23.2154 -23.2154 -22.5918 -22.5918 -22.5313 -22.5313 -15.2547 -15.2547 -14.4664 -14.4664 2.5968 2.5968 2.6309 2.6309 2.8018 2.8018 3.8244 3.8244 4.2089 4.2089 4.2522 4.2522 11.8144 11.8144 11.8223 11.8223 12.8409 12.8409 13.5707 13.5707 13.5891 13.5891 k = 0.2736 0.1580 0.1117 ( 2803 PWs) bands (ev): -46.4852 -46.4852 -23.2176 -23.2176 -22.5953 -22.5953 -22.5318 -22.5318 -15.2371 -15.2371 -14.4779 -14.4779 2.6174 2.6174 2.6515 2.6515 2.8286 2.8286 3.7868 3.7868 4.1848 4.1848 4.2283 4.2283 11.8206 11.8206 11.8290 11.8290 12.8153 12.8153 13.5611 13.5611 13.5798 13.5798 k = 0.2830 0.1634 0.1155 ( 2797 PWs) bands (ev): -46.4850 -46.4850 -23.2198 -23.2198 -22.5987 -22.5987 -22.5323 -22.5323 -15.2195 -15.2195 -14.4893 -14.4893 2.6382 2.6382 2.6723 2.6723 2.8551 2.8551 3.7500 3.7500 4.1606 4.1606 4.2042 4.2042 11.8265 11.8265 11.8353 11.8353 12.7894 12.7894 13.5517 13.5517 13.5708 13.5708 k = 0.2925 0.1688 0.1194 ( 2800 PWs) bands (ev): -46.4847 -46.4847 -23.2219 -23.2219 -22.6020 -22.6020 -22.5327 -22.5327 -15.2020 -15.2020 -14.5008 -14.5008 2.6592 2.6592 2.6933 2.6933 2.8812 2.8812 3.7141 3.7141 4.1364 4.1364 4.1800 4.1800 11.8321 11.8321 11.8412 11.8412 12.7636 12.7636 13.5425 13.5425 13.5621 13.5621 k = 0.3019 0.1743 0.1232 ( 2800 PWs) bands (ev): -46.4844 -46.4844 -23.2241 -23.2241 -22.6052 -22.6052 -22.5332 -22.5332 -15.1846 -15.1846 -14.5122 -14.5122 2.6803 2.6803 2.7145 2.7145 2.9068 2.9068 3.6792 3.6792 4.1122 4.1122 4.1559 4.1559 11.8373 11.8373 11.8468 11.8468 12.7382 12.7382 13.5338 13.5338 13.5537 13.5537 k = 0.3113 0.1797 0.1271 ( 2794 PWs) bands (ev): -46.4841 -46.4841 -23.2262 -23.2262 -22.6084 -22.6084 -22.5336 -22.5336 -15.1674 -15.1674 -14.5235 -14.5235 2.7016 2.7016 2.7358 2.7358 2.9319 2.9319 3.6453 3.6453 4.0880 4.0880 4.1318 4.1318 11.8422 11.8422 11.8520 11.8520 12.7134 12.7134 13.5253 13.5253 13.5456 13.5456 k = 0.3208 0.1852 0.1309 ( 2794 PWs) bands (ev): -46.4839 -46.4839 -23.2282 -23.2282 -22.6115 -22.6115 -22.5341 -22.5341 -15.1505 -15.1505 -14.5348 -14.5348 2.7228 2.7228 2.7570 2.7570 2.9562 2.9562 3.6126 3.6126 4.0640 4.0640 4.1079 4.1079 11.8466 11.8466 11.8569 11.8569 12.6893 12.6893 13.5173 13.5173 13.5379 13.5379 k = 0.3302 0.1906 0.1348 ( 2794 PWs) bands (ev): -46.4836 -46.4836 -23.2302 -23.2302 -22.6144 -22.6144 -22.5345 -22.5345 -15.1338 -15.1338 -14.5458 -14.5458 2.7440 2.7440 2.7782 2.7782 2.9798 2.9798 3.5812 3.5812 4.0402 4.0402 4.0842 4.0842 11.8508 11.8508 11.8614 11.8614 12.6662 12.6662 13.5096 13.5096 13.5306 13.5306 k = 0.3396 0.1961 0.1387 ( 2806 PWs) bands (ev): -46.4834 -46.4834 -23.2322 -23.2322 -22.6173 -22.6173 -22.5349 -22.5349 -15.1174 -15.1174 -14.5568 -14.5568 2.7651 2.7651 2.7994 2.7994 3.0026 3.0026 3.5510 3.5510 4.0166 4.0166 4.0608 4.0608 11.8545 11.8545 11.8654 11.8654 12.6442 12.6442 13.5024 13.5024 13.5236 13.5236 k = 0.3491 0.2015 0.1425 ( 2806 PWs) bands (ev): -46.4831 -46.4831 -23.2341 -23.2341 -22.6200 -22.6200 -22.5353 -22.5353 -15.1014 -15.1014 -14.5675 -14.5675 2.7861 2.7861 2.8203 2.8203 3.0244 3.0244 3.5222 3.5222 3.9934 3.9934 4.0377 4.0377 11.8579 11.8579 11.8692 11.8692 12.6233 12.6233 13.4956 13.4956 13.5171 13.5171 k = 0.3585 0.2070 0.1464 ( 2803 PWs) bands (ev): -46.4829 -46.4829 -23.2359 -23.2359 -22.6226 -22.6226 -22.5357 -22.5357 -15.0858 -15.0858 -14.5780 -14.5780 2.8067 2.8067 2.8409 2.8409 3.0454 3.0454 3.4947 3.4947 3.9706 3.9706 4.0151 4.0151 11.8610 11.8610 11.8725 11.8725 12.6036 12.6036 13.4892 13.4892 13.5110 13.5110 k = 0.3679 0.2124 0.1502 ( 2803 PWs) bands (ev): -46.4827 -46.4827 -23.2376 -23.2376 -22.6250 -22.6250 -22.5360 -22.5360 -15.0708 -15.0708 -14.5882 -14.5882 2.8270 2.8270 2.8611 2.8611 3.0654 3.0654 3.4688 3.4688 3.9484 3.9484 3.9930 3.9930 11.8637 11.8637 11.8756 11.8756 12.5852 12.5852 13.4832 13.4832 13.5053 13.5053 k = 0.3774 0.2179 0.1541 ( 2809 PWs) bands (ev): -46.4825 -46.4825 -23.2393 -23.2393 -22.6273 -22.6273 -22.5364 -22.5364 -15.0562 -15.0562 -14.5982 -14.5982 2.8467 2.8467 2.8809 2.8809 3.0843 3.0843 3.4443 3.4443 3.9268 3.9268 3.9715 3.9715 11.8661 11.8661 11.8783 11.8783 12.5681 12.5681 13.4777 13.4777 13.5000 13.5000 k = 0.3868 0.2233 0.1579 ( 2806 PWs) bands (ev): -46.4823 -46.4823 -23.2408 -23.2408 -22.6295 -22.6295 -22.5367 -22.5367 -15.0422 -15.0422 -14.6078 -14.6078 2.8660 2.8660 2.9001 2.9001 3.1021 3.1021 3.4213 3.4213 3.9059 3.9059 3.9508 3.9508 11.8683 11.8683 11.8807 11.8807 12.5523 12.5523 13.4726 13.4726 13.4952 13.4952 k = 0.3962 0.2288 0.1618 ( 2806 PWs) bands (ev): -46.4821 -46.4821 -23.2423 -23.2423 -22.6315 -22.6315 -22.5370 -22.5370 -15.0289 -15.0289 -14.6171 -14.6171 2.8845 2.8845 2.9186 2.9186 3.1189 3.1189 3.3999 3.3999 3.8858 3.8858 3.9309 3.9309 11.8701 11.8701 11.8827 11.8827 12.5379 12.5379 13.4679 13.4679 13.4907 13.4907 k = 0.4057 0.2342 0.1656 ( 2809 PWs) bands (ev): -46.4819 -46.4819 -23.2436 -23.2436 -22.6333 -22.6333 -22.5373 -22.5373 -15.0163 -15.0163 -14.6259 -14.6259 2.9022 2.9022 2.9363 2.9363 3.1345 3.1345 3.3800 3.3800 3.8667 3.8667 3.9120 3.9120 11.8718 11.8718 11.8846 11.8846 12.5248 12.5248 13.4637 13.4637 13.4867 13.4867 k = 0.4151 0.2397 0.1695 ( 2809 PWs) bands (ev): -46.4818 -46.4818 -23.2449 -23.2449 -22.6350 -22.6350 -22.5375 -22.5375 -15.0045 -15.0045 -14.6343 -14.6343 2.9189 2.9189 2.9530 2.9530 3.1490 3.1490 3.3617 3.3617 3.8487 3.8487 3.8942 3.8942 11.8731 11.8731 11.8861 11.8861 12.5130 12.5130 13.4599 13.4599 13.4831 13.4831 k = 0.4245 0.2451 0.1733 ( 2809 PWs) bands (ev): -46.4816 -46.4816 -23.2460 -23.2460 -22.6365 -22.6365 -22.5377 -22.5377 -14.9935 -14.9935 -14.6421 -14.6421 2.9345 2.9345 2.9686 2.9686 3.1624 3.1624 3.3449 3.3449 3.8320 3.8320 3.8776 3.8776 11.8743 11.8743 11.8875 11.8875 12.5026 12.5026 13.4565 13.4565 13.4799 13.4799 k = 0.4340 0.2505 0.1772 ( 2797 PWs) bands (ev): -46.4815 -46.4815 -23.2470 -23.2470 -22.6379 -22.6379 -22.5379 -22.5379 -14.9835 -14.9835 -14.6493 -14.6493 2.9488 2.9488 2.9829 2.9829 3.1746 3.1746 3.3297 3.3297 3.8167 3.8167 3.8625 3.8625 11.8753 11.8753 11.8886 11.8886 12.4934 12.4934 13.4535 13.4535 13.4771 13.4771 k = 0.4434 0.2560 0.1810 ( 2803 PWs) bands (ev): -46.4814 -46.4814 -23.2479 -23.2479 -22.6390 -22.6390 -22.5381 -22.5381 -14.9745 -14.9745 -14.6559 -14.6559 2.9617 2.9617 2.9957 2.9957 3.1858 3.1858 3.3160 3.3160 3.8029 3.8029 3.8489 3.8489 11.8761 11.8761 11.8895 11.8895 12.4855 12.4855 13.4510 13.4510 13.4746 13.4746 k = 0.4528 0.2614 0.1849 ( 2800 PWs) bands (ev): -46.4813 -46.4813 -23.2487 -23.2487 -22.6400 -22.6400 -22.5383 -22.5383 -14.9667 -14.9667 -14.6616 -14.6616 2.9729 2.9729 3.0069 3.0069 3.1958 3.1958 3.3038 3.3038 3.7909 3.7909 3.8371 3.8371 11.8767 11.8767 11.8903 11.8903 12.4789 12.4789 13.4488 13.4488 13.4726 13.4726 k = 0.4623 0.2669 0.1887 ( 2806 PWs) bands (ev): -46.4812 -46.4812 -23.2493 -23.2493 -22.6408 -22.6408 -22.5384 -22.5384 -14.9601 -14.9601 -14.6665 -14.6665 2.9824 2.9824 3.0164 3.0164 3.2048 3.2048 3.2931 3.2931 3.7808 3.7808 3.8271 3.8271 11.8772 11.8772 11.8909 11.8909 12.4735 12.4735 13.4471 13.4471 13.4709 13.4709 k = 0.4717 0.2723 0.1926 ( 2800 PWs) bands (ev): -46.4812 -46.4812 -23.2498 -23.2498 -22.6415 -22.6415 -22.5385 -22.5385 -14.9548 -14.9548 -14.6704 -14.6704 2.9899 2.9899 3.0239 3.0239 3.2126 3.2126 3.2839 3.2839 3.7728 3.7728 3.8192 3.8192 11.8776 11.8776 11.8913 11.8913 12.4694 12.4694 13.4458 13.4458 13.4697 13.4697 k = 0.4811 0.2778 0.1964 ( 2794 PWs) bands (ev): -46.4811 -46.4811 -23.2501 -23.2501 -22.6419 -22.6419 -22.5386 -22.5386 -14.9510 -14.9510 -14.6733 -14.6733 2.9954 2.9954 3.0294 3.0294 3.2189 3.2189 3.2766 3.2766 3.7669 3.7669 3.8135 3.8135 11.8779 11.8779 11.8916 11.8916 12.4664 12.4664 13.4448 13.4448 13.4687 13.4687 k = 0.4906 0.2832 0.2003 ( 2794 PWs) bands (ev): -46.4811 -46.4811 -23.2503 -23.2503 -22.6422 -22.6422 -22.5386 -22.5386 -14.9486 -14.9486 -14.6750 -14.6750 2.9988 2.9988 3.0327 3.0327 3.2233 3.2233 3.2717 3.2717 3.7634 3.7634 3.8100 3.8100 11.8780 11.8780 11.8918 11.8918 12.4646 12.4646 13.4442 13.4442 13.4682 13.4682 k = 0.5000 0.2887 0.2041 ( 2788 PWs) bands (ev): -46.4811 -46.4811 -23.2504 -23.2504 -22.6423 -22.6423 -22.5386 -22.5386 -14.9479 -14.9479 -14.6756 -14.6756 2.9999 2.9999 3.0339 3.0339 3.2249 3.2249 3.2698 3.2698 3.7622 3.7622 3.8088 3.8088 11.8781 11.8781 11.8919 11.8919 12.4641 12.4641 13.4440 13.4440 13.4680 13.4680 k = 0.5000 0.2887 0.2041 ( 2788 PWs) bands (ev): -46.4811 -46.4811 -23.2504 -23.2504 -22.6423 -22.6423 -22.5386 -22.5386 -14.9479 -14.9479 -14.6756 -14.6756 2.9999 2.9999 3.0339 3.0339 3.2249 3.2249 3.2698 3.2698 3.7622 3.7622 3.8088 3.8088 11.8781 11.8781 11.8919 11.8919 12.4641 12.4641 13.4440 13.4440 13.4680 13.4680 k = 0.5033 0.2792 0.2095 ( 2790 PWs) bands (ev): -46.4811 -46.4811 -23.2504 -23.2504 -22.6423 -22.6423 -22.5387 -22.5387 -14.9476 -14.9476 -14.6757 -14.6757 2.9952 2.9952 3.0296 3.0296 3.2210 3.2210 3.2794 3.2794 3.7641 3.7641 3.8107 3.8107 11.8780 11.8780 11.8918 11.8918 12.4641 12.4641 13.4432 13.4432 13.4672 13.4672 k = 0.5066 0.2697 0.2149 ( 2796 PWs) bands (ev): -46.4811 -46.4811 -23.2504 -23.2504 -22.6423 -22.6423 -22.5389 -22.5389 -14.9469 -14.9469 -14.6761 -14.6761 2.9781 2.9781 3.0231 3.0231 3.2103 3.2103 3.3041 3.3041 3.7691 3.7691 3.8169 3.8169 11.8777 11.8777 11.8918 11.8918 12.4644 12.4644 13.4404 13.4404 13.4648 13.4648 k = 0.5099 0.2602 0.2202 ( 2798 PWs) bands (ev): -46.4811 -46.4811 -23.2505 -23.2505 -22.6423 -22.6423 -22.5393 -22.5393 -14.9457 -14.9457 -14.6766 -14.6766 2.9487 2.9487 3.0196 3.0196 3.1939 3.1939 3.3382 3.3382 3.7750 3.7750 3.8287 3.8287 11.8767 11.8767 11.8923 11.8923 12.4649 12.4649 13.4355 13.4355 13.4613 13.4613 k = 0.5132 0.2507 0.2256 ( 2800 PWs) bands (ev): -46.4810 -46.4810 -23.2506 -23.2506 -22.6423 -22.6423 -22.5399 -22.5399 -14.9440 -14.9440 -14.6773 -14.6773 2.9123 2.9123 3.0178 3.0178 3.1729 3.1729 3.3776 3.3776 3.7803 3.7803 3.8467 3.8467 11.8748 11.8748 11.8936 11.8936 12.4655 12.4655 13.4280 13.4280 13.4571 13.4571 k = 0.5164 0.2412 0.2310 ( 2798 PWs) bands (ev): -46.4810 -46.4810 -23.2507 -23.2507 -22.6423 -22.6423 -22.5406 -22.5406 -14.9419 -14.9419 -14.6783 -14.6783 2.8723 2.8723 3.0165 3.0165 3.1482 3.1482 3.4200 3.4200 3.7847 3.7847 3.8703 3.8703 11.8716 11.8716 11.8960 11.8960 12.4663 12.4663 13.4176 13.4176 13.4526 13.4526 k = 0.5197 0.2317 0.2364 ( 2805 PWs) bands (ev): -46.4810 -46.4810 -23.2508 -23.2508 -22.6423 -22.6423 -22.5414 -22.5414 -14.9393 -14.9393 -14.6794 -14.6794 2.8305 2.8305 3.0153 3.0153 3.1209 3.1209 3.4640 3.4640 3.7886 3.7886 3.8981 3.8981 11.8673 11.8673 11.8993 11.8993 12.4674 12.4674 13.4045 13.4045 13.4479 13.4479 k = 0.5230 0.2222 0.2417 ( 2803 PWs) bands (ev): -46.4809 -46.4809 -23.2510 -23.2510 -22.6423 -22.6423 -22.5424 -22.5424 -14.9362 -14.9362 -14.6808 -14.6808 2.7877 2.7877 3.0138 3.0138 3.0921 3.0921 3.5090 3.5090 3.7923 3.7923 3.9290 3.9290 11.8620 11.8620 11.9034 11.9034 12.4686 12.4686 13.3889 13.3889 13.4428 13.4428 k = 0.5263 0.2127 0.2471 ( 2807 PWs) bands (ev): -46.4808 -46.4808 -23.2512 -23.2512 -22.6423 -22.6423 -22.5436 -22.5436 -14.9328 -14.9328 -14.6823 -14.6823 2.7442 2.7442 3.0112 3.0112 3.0631 3.0631 3.5544 3.5544 3.7961 3.7961 3.9621 3.9621 11.8559 11.8559 11.9083 11.9083 12.4701 12.4701 13.3710 13.3710 13.4375 13.4375 k = 0.5296 0.2032 0.2525 ( 2803 PWs) bands (ev): -46.4808 -46.4808 -23.2514 -23.2514 -22.6423 -22.6423 -22.5448 -22.5448 -14.9289 -14.9289 -14.6840 -14.6840 2.7004 2.7004 3.0050 3.0050 3.0370 3.0370 3.5998 3.5998 3.8003 3.8003 3.9969 3.9969 11.8490 11.8490 11.9139 11.9139 12.4717 12.4717 13.3511 13.3511 13.4317 13.4317 k = 0.5329 0.1937 0.2578 ( 2803 PWs) bands (ev): -46.4807 -46.4807 -23.2516 -23.2516 -22.6423 -22.6423 -22.5462 -22.5462 -14.9247 -14.9247 -14.6859 -14.6859 2.6565 2.6565 2.9872 2.9872 3.0222 3.0222 3.6448 3.6448 3.8049 3.8049 4.0330 4.0330 11.8413 11.8413 11.9201 11.9201 12.4736 12.4736 13.3293 13.3293 13.4255 13.4255 k = 0.5362 0.1842 0.2632 ( 2807 PWs) bands (ev): -46.4806 -46.4806 -23.2519 -23.2519 -22.6424 -22.6424 -22.5476 -22.5476 -14.9200 -14.9200 -14.6879 -14.6879 2.6125 2.6125 2.9599 2.9599 3.0169 3.0169 3.6891 3.6891 3.8102 3.8102 4.0699 4.0699 11.8331 11.8331 11.9269 11.9269 12.4758 12.4758 13.3060 13.3060 13.4188 13.4188 k = 0.5395 0.1747 0.2686 ( 2807 PWs) bands (ev): -46.4805 -46.4805 -23.2521 -23.2521 -22.6424 -22.6424 -22.5492 -22.5492 -14.9151 -14.9151 -14.6901 -14.6901 2.5685 2.5685 2.9305 2.9305 3.0139 3.0139 3.7321 3.7321 3.8163 3.8163 4.1076 4.1076 11.8242 11.8242 11.9342 11.9342 12.4782 12.4782 13.2813 13.2813 13.4118 13.4118 k = 0.5428 0.1652 0.2740 ( 2805 PWs) bands (ev): -46.4805 -46.4805 -23.2524 -23.2524 -22.6424 -22.6424 -22.5508 -22.5508 -14.9098 -14.9098 -14.6925 -14.6925 2.5247 2.5247 2.9012 2.9012 3.0115 3.0115 3.7729 3.7729 3.8244 3.8244 4.1459 4.1459 11.8149 11.8149 11.9421 11.9421 12.4808 12.4808 13.2554 13.2554 13.4044 13.4044 k = 0.5461 0.1557 0.2793 ( 2805 PWs) bands (ev): -46.4804 -46.4804 -23.2528 -23.2528 -22.6425 -22.6425 -22.5525 -22.5525 -14.9043 -14.9043 -14.6949 -14.6949 2.4810 2.4810 2.8725 2.8725 3.0091 3.0091 3.8066 3.8066 3.8388 3.8388 4.1846 4.1846 11.8051 11.8051 11.9504 11.9504 12.4836 12.4836 13.2284 13.2284 13.3965 13.3965 k = 0.5493 0.1462 0.2847 ( 2797 PWs) bands (ev): -46.4803 -46.4803 -23.2531 -23.2531 -22.6426 -22.6426 -22.5542 -22.5542 -14.8984 -14.8984 -14.6975 -14.6975 2.4375 2.4375 2.8448 2.8448 3.0065 3.0065 3.8247 3.8247 3.8681 3.8681 4.2237 4.2237 11.7950 11.7950 11.9590 11.9590 12.4868 12.4868 13.2007 13.2007 13.3884 13.3884 k = 0.5526 0.1367 0.2901 ( 2797 PWs) bands (ev): -46.4802 -46.4802 -23.2535 -23.2535 -22.6427 -22.6427 -22.5560 -22.5560 -14.8924 -14.8924 -14.7002 -14.7002 2.3944 2.3944 2.8183 2.8183 3.0037 3.0037 3.8351 3.8351 3.9042 3.9042 4.2630 4.2630 11.7846 11.7846 11.9681 11.9681 12.4901 12.4901 13.1722 13.1722 13.3799 13.3799 k = 0.5559 0.1272 0.2954 ( 2793 PWs) bands (ev): -46.4800 -46.4800 -23.2539 -23.2539 -22.6428 -22.6428 -22.5578 -22.5578 -14.8862 -14.8862 -14.7029 -14.7029 2.3516 2.3516 2.7931 2.7931 3.0005 3.0005 3.8442 3.8442 3.9406 3.9406 4.3025 4.3025 11.7739 11.7739 11.9774 11.9774 12.4936 12.4936 13.1433 13.1433 13.3713 13.3713 k = 0.5592 0.1177 0.3008 ( 2788 PWs) bands (ev): -46.4799 -46.4799 -23.2544 -23.2544 -22.6429 -22.6429 -22.5596 -22.5596 -14.8798 -14.8798 -14.7058 -14.7058 2.3092 2.3092 2.7693 2.7693 2.9971 2.9971 3.8533 3.8533 3.9759 3.9759 4.3421 4.3421 11.7630 11.7630 11.9870 11.9870 12.4973 12.4973 13.1141 13.1141 13.3623 13.3623 k = 0.5625 0.1083 0.3062 ( 2786 PWs) bands (ev): -46.4798 -46.4798 -23.2548 -23.2548 -22.6431 -22.6431 -22.5614 -22.5614 -14.8732 -14.8732 -14.7087 -14.7087 2.2674 2.2674 2.7469 2.7469 2.9932 2.9932 3.8627 3.8627 4.0096 4.0096 4.3817 4.3817 11.7520 11.7520 11.9968 11.9968 12.5012 12.5012 13.0848 13.0848 13.3533 13.3533 k = 0.5658 0.0988 0.3116 ( 2790 PWs) bands (ev): -46.4797 -46.4797 -23.2553 -23.2553 -22.6433 -22.6433 -22.5632 -22.5632 -14.8666 -14.8666 -14.7117 -14.7117 2.2261 2.2261 2.7261 2.7261 2.9890 2.9890 3.8727 3.8727 4.0417 4.0417 4.4211 4.4211 11.7410 11.7410 12.0068 12.0068 12.5051 12.5051 13.0555 13.0555 13.3441 13.3441 k = 0.5691 0.0893 0.3169 ( 2791 PWs) bands (ev): -46.4796 -46.4796 -23.2558 -23.2558 -22.6435 -22.6435 -22.5649 -22.5649 -14.8599 -14.8599 -14.7147 -14.7147 2.1856 2.1856 2.7067 2.7067 2.9843 2.9843 3.8832 3.8832 4.0720 4.0720 4.4602 4.4602 11.7299 11.7299 12.0169 12.0169 12.5091 12.5091 13.0265 13.0265 13.3348 13.3348 k = 0.5724 0.0798 0.3223 ( 2790 PWs) bands (ev): -46.4795 -46.4795 -23.2563 -23.2563 -22.6438 -22.6438 -22.5666 -22.5666 -14.8532 -14.8532 -14.7177 -14.7177 2.1458 2.1458 2.6888 2.6888 2.9793 2.9793 3.8942 3.8942 4.1005 4.1005 4.4988 4.4988 11.7189 11.7189 12.0270 12.0270 12.5130 12.5130 12.9980 12.9980 13.3255 13.3255 k = 0.5757 0.0703 0.3277 ( 2788 PWs) bands (ev): -46.4794 -46.4794 -23.2569 -23.2569 -22.6441 -22.6441 -22.5682 -22.5682 -14.8465 -14.8465 -14.7207 -14.7207 2.1070 2.1070 2.6724 2.6724 2.9738 2.9738 3.9058 3.9058 4.1272 4.1272 4.5369 4.5369 11.7080 11.7080 12.0371 12.0371 12.5167 12.5167 12.9702 12.9702 13.3162 13.3162 k = 0.5789 0.0608 0.3330 ( 2789 PWs) bands (ev): -46.4793 -46.4793 -23.2574 -23.2574 -22.6445 -22.6445 -22.5697 -22.5697 -14.8398 -14.8398 -14.7238 -14.7238 2.0691 2.0691 2.6575 2.6575 2.9678 2.9678 3.9180 3.9180 4.1522 4.1522 4.5741 4.5741 11.6972 11.6972 12.0471 12.0471 12.5201 12.5201 12.9435 12.9435 13.3070 13.3070 k = 0.5822 0.0513 0.3384 ( 2796 PWs) bands (ev): -46.4792 -46.4792 -23.2580 -23.2580 -22.6449 -22.6449 -22.5711 -22.5711 -14.8332 -14.8332 -14.7268 -14.7268 2.0323 2.0323 2.6440 2.6440 2.9615 2.9615 3.9308 3.9308 4.1755 4.1755 4.6104 4.6104 11.6867 11.6867 12.0571 12.0571 12.5229 12.5229 12.9180 12.9180 13.2980 13.2980 k = 0.5855 0.0418 0.3438 ( 2793 PWs) bands (ev): -46.4790 -46.4790 -23.2585 -23.2585 -22.6453 -22.6453 -22.5724 -22.5724 -14.8267 -14.8267 -14.7298 -14.7298 1.9966 1.9966 2.6319 2.6319 2.9547 2.9547 3.9441 3.9441 4.1972 4.1972 4.6455 4.6455 11.6764 11.6764 12.0668 12.0668 12.5251 12.5251 12.8941 12.8941 13.2891 13.2891 k = 0.5888 0.0323 0.3492 ( 2793 PWs) bands (ev): -46.4789 -46.4789 -23.2591 -23.2591 -22.6458 -22.6458 -22.5736 -22.5736 -14.8203 -14.8203 -14.7328 -14.7328 1.9622 1.9622 2.6212 2.6212 2.9475 2.9475 3.9579 3.9579 4.2173 4.2173 4.6793 4.6793 11.6664 11.6664 12.0764 12.0764 12.5262 12.5262 12.8723 12.8723 13.2804 13.2804 k = 0.5921 0.0228 0.3545 ( 2792 PWs) bands (ev): -46.4788 -46.4788 -23.2597 -23.2597 -22.6463 -22.6463 -22.5746 -22.5746 -14.8141 -14.8141 -14.7357 -14.7357 1.9292 1.9292 2.6117 2.6117 2.9399 2.9399 3.9723 3.9723 4.2360 4.2360 4.7115 4.7115 11.6567 11.6567 12.0857 12.0857 12.5261 12.5261 12.8529 12.8529 13.2720 13.2720 k = 0.5954 0.0133 0.3599 ( 2796 PWs) bands (ev): -46.4787 -46.4787 -23.2602 -23.2602 -22.6469 -22.6469 -22.5755 -22.5755 -14.8080 -14.8080 -14.7386 -14.7386 1.8976 1.8976 2.6035 2.6035 2.9319 2.9319 3.9871 3.9871 4.2532 4.2532 4.7421 4.7421 11.6474 11.6474 12.0946 12.0946 12.5244 12.5244 12.8362 12.8362 13.2638 13.2638 k = 0.5987 0.0038 0.3653 ( 2800 PWs) bands (ev): -46.4786 -46.4786 -23.2608 -23.2608 -22.6475 -22.6475 -22.5763 -22.5763 -14.8022 -14.8022 -14.7415 -14.7415 1.8675 1.8675 2.5965 2.5965 2.9235 2.9235 4.0023 4.0023 4.2691 4.2691 4.7708 4.7708 11.6384 11.6384 12.1032 12.1032 12.5210 12.5210 12.8226 12.8226 13.2560 13.2560 k = 0.6020-0.0057 0.3706 ( 2802 PWs) bands (ev): -46.4786 -46.4786 -23.2614 -23.2614 -22.6482 -22.6482 -22.5769 -22.5769 -14.7965 -14.7965 -14.7443 -14.7443 1.8391 1.8391 2.5905 2.5905 2.9147 2.9147 4.0180 4.0180 4.2838 4.2838 4.7975 4.7975 11.6299 11.6299 12.1114 12.1114 12.5158 12.5158 12.8123 12.8123 13.2486 13.2486 k = 0.6053-0.0152 0.3760 ( 2800 PWs) bands (ev): -46.4785 -46.4785 -23.2619 -23.2619 -22.6488 -22.6488 -22.5774 -22.5774 -14.7912 -14.7912 -14.7470 -14.7470 1.8123 1.8123 2.5856 2.5856 2.9055 2.9055 4.0341 4.0341 4.2973 4.2973 4.8221 4.8221 11.6218 11.6218 12.1191 12.1191 12.5089 12.5089 12.8054 12.8054 13.2416 13.2416 k = 0.6086-0.0247 0.3814 ( 2800 PWs) bands (ev): -46.4784 -46.4784 -23.2624 -23.2624 -22.6495 -22.6495 -22.5778 -22.5778 -14.7860 -14.7860 -14.7498 -14.7498 1.7873 1.7873 2.5817 2.5817 2.8960 2.8960 4.0505 4.0505 4.3098 4.3098 4.8444 4.8444 11.6141 11.6141 12.1263 12.1263 12.5004 12.5004 12.8017 12.8017 13.2351 13.2351 k = 0.6118-0.0342 0.3868 ( 2798 PWs) bands (ev): -46.4783 -46.4783 -23.2629 -23.2629 -22.6502 -22.6502 -22.5780 -22.5780 -14.7812 -14.7812 -14.7524 -14.7524 1.7641 1.7641 2.5786 2.5786 2.8862 2.8862 4.0672 4.0672 4.3212 4.3212 4.8643 4.8643 11.6069 11.6069 12.1331 12.1331 12.4907 12.4907 12.8010 12.8010 13.2290 13.2290 k = 0.6151-0.0437 0.3921 ( 2802 PWs) bands (ev): -46.4783 -46.4783 -23.2634 -23.2634 -22.6508 -22.6508 -22.5781 -22.5781 -14.7768 -14.7768 -14.7549 -14.7549 1.7429 1.7429 2.5763 2.5763 2.8761 2.8761 4.0842 4.0842 4.3318 4.3318 4.8816 4.8816 11.6002 11.6002 12.1393 12.1393 12.4803 12.4803 12.8029 12.8029 13.2233 13.2233 k = 0.6184-0.0532 0.3975 ( 2800 PWs) bands (ev): -46.4782 -46.4782 -23.2638 -23.2638 -22.6515 -22.6515 -22.5781 -22.5781 -14.7728 -14.7728 -14.7572 -14.7572 1.7236 1.7236 2.5747 2.5747 2.8656 2.8656 4.1014 4.1014 4.3415 4.3415 4.8963 4.8963 11.5939 11.5939 12.1449 12.1449 12.4697 12.4697 12.8071 12.8071 13.2182 13.2182 k = 0.6217-0.0627 0.4029 ( 2802 PWs) bands (ev): -46.4782 -46.4782 -23.2642 -23.2642 -22.6521 -22.6521 -22.5779 -22.5779 -14.7700 -14.7700 -14.7586 -14.7586 1.7064 1.7064 2.5738 2.5738 2.8549 2.8549 4.1189 4.1189 4.3505 4.3505 4.9083 4.9083 11.5881 11.5881 12.1499 12.1499 12.4593 12.4593 12.8132 12.8132 13.2136 13.2136 k = 0.6250-0.0722 0.4082 ( 2810 PWs) bands (ev): -46.4782 -46.4782 -23.2645 -23.2645 -22.6527 -22.6527 -22.5776 -22.5776 -14.7693 -14.7693 -14.7582 -14.7582 1.6912 1.6912 2.5734 2.5734 2.8440 2.8440 4.1365 4.1365 4.3589 4.3589 4.9175 4.9175 11.5827 11.5827 12.1544 12.1544 12.4495 12.4495 12.8209 12.8209 13.2095 13.2095 k = 0.6250-0.0722 0.4082 ( 2810 PWs) bands (ev): -46.4782 -46.4782 -23.2645 -23.2645 -22.6527 -22.6527 -22.5776 -22.5776 -14.7693 -14.7693 -14.7582 -14.7582 1.6912 1.6912 2.5734 2.5734 2.8440 2.8440 4.1365 4.1365 4.3589 4.3589 4.9175 4.9175 11.5827 11.5827 12.1544 12.1544 12.4495 12.4495 12.8209 12.8209 13.2095 13.2095 k = 0.6193-0.0689 0.4175 ( 2800 PWs) bands (ev): -46.4782 -46.4782 -23.2645 -23.2645 -22.6526 -22.6526 -22.5777 -22.5777 -14.7693 -14.7693 -14.7582 -14.7582 1.6919 1.6919 2.5682 2.5682 2.8492 2.8492 4.1323 4.1323 4.3624 4.3624 4.9175 4.9175 11.5832 11.5832 12.1542 12.1542 12.4497 12.4497 12.8202 12.8202 13.2092 13.2092 k = 0.6136-0.0656 0.4268 ( 2800 PWs) bands (ev): -46.4782 -46.4782 -23.2645 -23.2645 -22.6526 -22.6526 -22.5778 -22.5778 -14.7693 -14.7693 -14.7581 -14.7581 1.6939 1.6939 2.5537 2.5537 2.8639 2.8639 4.1206 4.1206 4.3721 4.3721 4.9175 4.9175 11.5847 11.5847 12.1535 12.1535 12.4503 12.4503 12.8183 12.8183 13.2083 13.2083 k = 0.6080-0.0623 0.4361 ( 2810 PWs) bands (ev): -46.4781 -46.4781 -23.2645 -23.2645 -22.6525 -22.6525 -22.5781 -22.5781 -14.7693 -14.7693 -14.7579 -14.7579 1.6972 1.6972 2.5321 2.5321 2.8856 2.8856 4.1030 4.1030 4.3863 4.3863 4.9176 4.9176 11.5871 11.5871 12.1524 12.1524 12.4513 12.4513 12.8152 12.8152 13.2067 13.2067 k = 0.6023-0.0590 0.4454 ( 2810 PWs) bands (ev): -46.4781 -46.4781 -23.2645 -23.2645 -22.6523 -22.6523 -22.5784 -22.5784 -14.7692 -14.7692 -14.7577 -14.7577 1.7018 1.7018 2.5060 2.5060 2.9121 2.9121 4.0811 4.0811 4.4034 4.4034 4.9177 4.9177 11.5905 11.5905 12.1509 12.1509 12.4528 12.4528 12.8108 12.8108 13.2047 13.2047 k = 0.5966-0.0558 0.4546 ( 2809 PWs) bands (ev): -46.4781 -46.4781 -23.2645 -23.2645 -22.6521 -22.6521 -22.5789 -22.5789 -14.7692 -14.7692 -14.7574 -14.7574 1.7077 1.7077 2.4769 2.4769 2.9417 2.9417 4.0562 4.0562 4.4220 4.4220 4.9179 4.9179 11.5947 11.5947 12.1490 12.1490 12.4547 12.4547 12.8051 12.8051 13.2022 13.2022 k = 0.5909-0.0525 0.4639 ( 2808 PWs) bands (ev): -46.4781 -46.4781 -23.2645 -23.2645 -22.6519 -22.6519 -22.5794 -22.5794 -14.7691 -14.7691 -14.7571 -14.7571 1.7148 1.7148 2.4459 2.4459 2.9732 2.9732 4.0293 4.0293 4.4413 4.4413 4.9182 4.9182 11.5996 11.5996 12.1468 12.1468 12.4570 12.4570 12.7982 12.7982 13.1993 13.1993 k = 0.5852-0.0492 0.4732 ( 2800 PWs) bands (ev): -46.4781 -46.4781 -23.2645 -23.2645 -22.6516 -22.6516 -22.5800 -22.5800 -14.7691 -14.7691 -14.7567 -14.7567 1.7233 1.7233 2.4139 2.4139 3.0060 3.0060 4.0009 4.0009 4.4604 4.4604 4.9187 4.9187 11.6053 11.6053 12.1443 12.1443 12.4599 12.4599 12.7901 12.7901 13.1961 13.1961 k = 0.5795-0.0459 0.4825 ( 2806 PWs) bands (ev): -46.4781 -46.4781 -23.2645 -23.2645 -22.6513 -22.6513 -22.5806 -22.5806 -14.7690 -14.7690 -14.7563 -14.7563 1.7329 1.7329 2.3813 2.3813 3.0396 3.0396 3.9714 3.9714 4.4791 4.4791 4.9194 4.9194 11.6115 11.6115 12.1415 12.1415 12.4632 12.4632 12.7808 12.7808 13.1927 13.1927 k = 0.5739-0.0426 0.4918 ( 2804 PWs) bands (ev): -46.4781 -46.4781 -23.2645 -23.2645 -22.6510 -22.6510 -22.5813 -22.5813 -14.7689 -14.7689 -14.7558 -14.7558 1.7438 1.7438 2.3485 2.3485 3.0737 3.0737 3.9410 3.9410 4.4968 4.4968 4.9204 4.9204 11.6182 11.6182 12.1386 12.1386 12.4671 12.4671 12.7704 12.7704 13.1892 13.1892 k = 0.5682-0.0394 0.5010 ( 2800 PWs) bands (ev): -46.4780 -46.4780 -23.2645 -23.2645 -22.6506 -22.6506 -22.5821 -22.5821 -14.7687 -14.7687 -14.7554 -14.7554 1.7558 1.7558 2.3157 2.3157 3.1082 3.1082 3.9100 3.9100 4.5135 4.5135 4.9217 4.9217 11.6251 11.6251 12.1355 12.1355 12.4715 12.4715 12.7589 12.7589 13.1857 13.1857 k = 0.5625-0.0361 0.5103 ( 2796 PWs) bands (ev): -46.4780 -46.4780 -23.2645 -23.2645 -22.6503 -22.6503 -22.5829 -22.5829 -14.7686 -14.7686 -14.7549 -14.7549 1.7689 1.7689 2.2831 2.2831 3.1428 3.1428 3.8785 3.8785 4.5289 4.5289 4.9232 4.9232 11.6323 11.6323 12.1323 12.1323 12.4766 12.4766 12.7464 12.7464 13.1822 13.1822 k = 0.5568-0.0328 0.5196 ( 2794 PWs) bands (ev): -46.4780 -46.4780 -23.2645 -23.2645 -22.6499 -22.6499 -22.5837 -22.5837 -14.7684 -14.7684 -14.7545 -14.7545 1.7831 1.7831 2.2508 2.2508 3.1774 3.1774 3.8467 3.8467 4.5429 4.5429 4.9252 4.9252 11.6395 11.6395 12.1292 12.1292 12.4822 12.4822 12.7331 12.7331 13.1789 13.1789 k = 0.5511-0.0295 0.5289 ( 2794 PWs) bands (ev): -46.4780 -46.4780 -23.2645 -23.2645 -22.6496 -22.6496 -22.5844 -22.5844 -14.7681 -14.7681 -14.7541 -14.7541 1.7983 1.7983 2.2191 2.2191 3.2121 3.2121 3.8145 3.8145 4.5553 4.5553 4.9274 4.9274 11.6465 11.6465 12.1261 12.1261 12.4886 12.4886 12.7190 12.7190 13.1758 13.1758 k = 0.5455-0.0262 0.5381 ( 2796 PWs) bands (ev): -46.4780 -46.4780 -23.2645 -23.2645 -22.6492 -22.6492 -22.5852 -22.5852 -14.7679 -14.7679 -14.7538 -14.7538 1.8145 1.8145 2.1880 2.1880 3.2466 3.2466 3.7820 3.7820 4.5661 4.5661 4.9300 4.9300 11.6533 11.6533 12.1232 12.1232 12.4956 12.4956 12.7042 12.7042 13.1730 13.1730 k = 0.5398-0.0230 0.5474 ( 2795 PWs) bands (ev): -46.4780 -46.4780 -23.2645 -23.2645 -22.6489 -22.6489 -22.5859 -22.5859 -14.7676 -14.7676 -14.7535 -14.7535 1.8316 1.8316 2.1577 2.1577 3.2811 3.2811 3.7494 3.7494 4.5753 4.5753 4.9328 4.9328 11.6596 11.6596 12.1205 12.1205 12.5034 12.5034 12.6890 12.6890 13.1704 13.1704 k = 0.5341-0.0197 0.5567 ( 2783 PWs) bands (ev): -46.4779 -46.4779 -23.2645 -23.2645 -22.6486 -22.6486 -22.5866 -22.5866 -14.7672 -14.7672 -14.7534 -14.7534 1.8496 1.8496 2.1282 2.1282 3.3154 3.3154 3.7166 3.7166 4.5830 4.5830 4.9357 4.9357 11.6654 11.6654 12.1181 12.1181 12.5119 12.5119 12.6734 12.6734 13.1681 13.1681 k = 0.5284-0.0164 0.5660 ( 2783 PWs) bands (ev): -46.4779 -46.4779 -23.2645 -23.2645 -22.6483 -22.6483 -22.5872 -22.5872 -14.7668 -14.7668 -14.7533 -14.7533 1.8684 1.8684 2.0997 2.0997 3.3496 3.3496 3.6837 3.6837 4.5892 4.5892 4.9385 4.9385 11.6704 11.6704 12.1160 12.1160 12.5212 12.5212 12.6577 12.6577 13.1662 13.1662 k = 0.5227-0.0131 0.5753 ( 2779 PWs) bands (ev): -46.4779 -46.4779 -23.2645 -23.2645 -22.6481 -22.6481 -22.5878 -22.5878 -14.7663 -14.7663 -14.7533 -14.7533 1.8878 1.8878 2.0722 2.0722 3.3836 3.3836 3.6506 3.6506 4.5940 4.5940 4.9413 4.9413 11.6747 11.6747 12.1143 12.1143 12.5313 12.5313 12.6420 12.6420 13.1646 13.1646 k = 0.5170-0.0098 0.5845 ( 2783 PWs) bands (ev): -46.4779 -46.4779 -23.2645 -23.2645 -22.6479 -22.6479 -22.5882 -22.5882 -14.7659 -14.7659 -14.7534 -14.7534 1.9078 1.9078 2.0460 2.0460 3.4174 3.4174 3.6176 3.6176 4.5975 4.5975 4.9437 4.9437 11.6780 11.6780 12.1130 12.1130 12.5421 12.5421 12.6265 12.6265 13.1634 13.1634 k = 0.5114-0.0066 0.5938 ( 2780 PWs) bands (ev): -46.4779 -46.4779 -23.2645 -23.2645 -22.6478 -22.6478 -22.5885 -22.5885 -14.7654 -14.7654 -14.7536 -14.7536 1.9282 1.9282 2.0211 2.0211 3.4511 3.4511 3.5844 3.5844 4.5998 4.5998 4.9457 4.9457 11.6804 11.6804 12.1121 12.1121 12.5535 12.5535 12.6116 12.6116 13.1625 13.1625 k = 0.5057-0.0033 0.6031 ( 2780 PWs) bands (ev): -46.4779 -46.4779 -23.2645 -23.2645 -22.6477 -22.6477 -22.5887 -22.5887 -14.7651 -14.7651 -14.7537 -14.7537 1.9484 1.9484 1.9983 1.9983 3.4844 3.4844 3.5514 3.5514 4.6011 4.6011 4.9470 4.9470 11.6818 11.6818 12.1116 12.1116 12.5650 12.5650 12.5979 12.5979 13.1620 13.1620 k = 0.5000-0.0000 0.6124 ( 2780 PWs) bands (ev): -46.4779 -46.4779 -23.2645 -23.2645 -22.6477 -22.6477 -22.5888 -22.5888 -14.7649 -14.7649 -14.7538 -14.7538 1.9616 1.9616 1.9842 1.9842 3.5142 3.5142 3.5217 3.5217 4.6015 4.6015 4.9474 4.9474 11.6823 11.6823 12.1114 12.1114 12.5723 12.5723 12.5898 12.5898 13.1618 13.1618 k = 0.5000-0.0000 0.6124 ( 2780 PWs) bands (ev): -46.4779 -46.4779 -23.2645 -23.2645 -22.6477 -22.6477 -22.5888 -22.5888 -14.7649 -14.7649 -14.7538 -14.7538 1.9616 1.9616 1.9842 1.9842 3.5142 3.5142 3.5217 3.5217 4.6015 4.6015 4.9474 4.9474 11.6823 11.6823 12.1114 12.1114 12.5723 12.5723 12.5898 12.5898 13.1618 13.1618 k = 0.5000 0.0066 0.6031 ( 2780 PWs) bands (ev): -46.4779 -46.4779 -23.2645 -23.2645 -22.6477 -22.6477 -22.5887 -22.5887 -14.7650 -14.7650 -14.7539 -14.7539 1.9626 1.9626 1.9848 1.9848 3.5139 3.5139 3.5215 3.5215 4.6010 4.6010 4.9461 4.9461 11.6823 11.6823 12.1111 12.1111 12.5728 12.5728 12.5903 12.5903 13.1622 13.1622 k = 0.5000 0.0131 0.5938 ( 2780 PWs) bands (ev): -46.4779 -46.4779 -23.2645 -23.2645 -22.6476 -22.6476 -22.5886 -22.5886 -14.7652 -14.7652 -14.7540 -14.7540 1.9657 1.9657 1.9865 1.9865 3.5129 3.5129 3.5213 3.5213 4.5998 4.5998 4.9420 4.9420 11.6823 11.6823 12.1103 12.1103 12.5740 12.5740 12.5921 12.5921 13.1634 13.1634 k = 0.5000 0.0197 0.5845 ( 2782 PWs) bands (ev): -46.4779 -46.4779 -23.2643 -23.2643 -22.6475 -22.6475 -22.5884 -22.5884 -14.7657 -14.7657 -14.7542 -14.7542 1.9707 1.9707 1.9895 1.9895 3.5105 3.5105 3.5217 3.5217 4.5976 4.5976 4.9353 4.9353 11.6823 11.6823 12.1090 12.1090 12.5752 12.5752 12.5958 12.5958 13.1654 13.1654 k = 0.5000 0.0262 0.5753 ( 2788 PWs) bands (ev): -46.4779 -46.4779 -23.2642 -23.2642 -22.6474 -22.6474 -22.5881 -22.5881 -14.7666 -14.7666 -14.7543 -14.7543 1.9778 1.9778 1.9936 1.9936 3.5064 3.5064 3.5229 3.5229 4.5946 4.5946 4.9258 4.9258 11.6824 11.6824 12.1072 12.1072 12.5757 12.5757 12.6020 12.6020 13.1682 13.1682 k = 0.5000 0.0328 0.5660 ( 2786 PWs) bands (ev): -46.4780 -46.4780 -23.2639 -23.2639 -22.6473 -22.6473 -22.5877 -22.5877 -14.7680 -14.7680 -14.7540 -14.7540 1.9868 1.9868 1.9989 1.9989 3.5008 3.5008 3.5249 3.5249 4.5907 4.5907 4.9138 4.9138 11.6825 11.6825 12.1049 12.1049 12.5754 12.5754 12.6108 12.6108 13.1717 13.1717 k = 0.5000 0.0394 0.5567 ( 2784 PWs) bands (ev): -46.4780 -46.4780 -23.2637 -23.2637 -22.6471 -22.6471 -22.5872 -22.5872 -14.7700 -14.7700 -14.7535 -14.7535 1.9978 1.9978 2.0054 2.0054 3.4938 3.4938 3.5274 3.5274 4.5859 4.5859 4.8991 4.8991 11.6828 11.6828 12.1021 12.1021 12.5744 12.5744 12.6220 12.6220 13.1760 13.1760 k = 0.5000 0.0459 0.5474 ( 2786 PWs) bands (ev): -46.4781 -46.4781 -23.2634 -23.2634 -22.6469 -22.6469 -22.5866 -22.5866 -14.7725 -14.7725 -14.7526 -14.7526 2.0107 2.0107 2.0131 2.0131 3.4856 3.4856 3.5305 3.5305 4.5801 4.5801 4.8819 4.8819 11.6832 11.6832 12.0988 12.0988 12.5728 12.5728 12.6354 12.6354 13.1811 13.1811 k = 0.5000 0.0525 0.5381 ( 2784 PWs) bands (ev): -46.4781 -46.4781 -23.2630 -23.2630 -22.6466 -22.6466 -22.5859 -22.5859 -14.7756 -14.7756 -14.7514 -14.7514 2.0218 2.0218 2.0258 2.0258 3.4763 3.4763 3.5341 3.5341 4.5734 4.5734 4.8622 4.8622 11.6839 11.6839 12.0951 12.0951 12.5708 12.5708 12.6508 12.6508 13.1868 13.1868 k = 0.5000 0.0590 0.5289 ( 2790 PWs) bands (ev): -46.4782 -46.4782 -23.2627 -23.2627 -22.6464 -22.6464 -22.5852 -22.5852 -14.7791 -14.7791 -14.7500 -14.7500 2.0319 2.0319 2.0425 2.0425 3.4658 3.4658 3.5381 3.5381 4.5658 4.5658 4.8400 4.8400 11.6849 11.6849 12.0910 12.0910 12.5684 12.5684 12.6680 12.6680 13.1932 13.1932 k = 0.5000 0.0656 0.5196 ( 2790 PWs) bands (ev): -46.4783 -46.4783 -23.2623 -23.2623 -22.6462 -22.6462 -22.5843 -22.5843 -14.7832 -14.7832 -14.7483 -14.7483 2.0432 2.0432 2.0611 2.0611 3.4544 3.4544 3.5425 3.5425 4.5571 4.5571 4.8155 4.8155 11.6863 11.6863 12.0865 12.0865 12.5656 12.5656 12.6868 12.6868 13.2003 13.2003 k = 0.5000 0.0722 0.5103 ( 2788 PWs) bands (ev): -46.4783 -46.4783 -23.2618 -23.2618 -22.6459 -22.6459 -22.5833 -22.5833 -14.7876 -14.7876 -14.7464 -14.7464 2.0557 2.0557 2.0816 2.0816 3.4421 3.4421 3.5473 3.5473 4.5473 4.5473 4.7887 4.7887 11.6880 11.6880 12.0816 12.0816 12.5625 12.5625 12.7072 12.7072 13.2080 13.2080 k = 0.5000 0.0787 0.5010 ( 2788 PWs) bands (ev): -46.4784 -46.4784 -23.2614 -23.2614 -22.6456 -22.6456 -22.5823 -22.5823 -14.7924 -14.7924 -14.7443 -14.7443 2.0694 2.0694 2.1039 2.1039 3.4290 3.4290 3.5524 3.5524 4.5365 4.5365 4.7596 4.7596 11.6902 11.6902 12.0764 12.0764 12.5591 12.5591 12.7290 12.7290 13.2162 13.2162 k = 0.5000 0.0853 0.4918 ( 2790 PWs) bands (ev): -46.4785 -46.4785 -23.2609 -23.2609 -22.6453 -22.6453 -22.5812 -22.5812 -14.7975 -14.7975 -14.7421 -14.7421 2.0843 2.0843 2.1278 2.1278 3.4151 3.4151 3.5578 3.5578 4.5247 4.5247 4.7285 4.7285 11.6929 11.6929 12.0708 12.0708 12.5553 12.5553 12.7521 12.7521 13.2249 13.2249 k = 0.5000 0.0919 0.4825 ( 2784 PWs) bands (ev): -46.4786 -46.4786 -23.2604 -23.2604 -22.6451 -22.6451 -22.5799 -22.5799 -14.8030 -14.8030 -14.7397 -14.7397 2.1004 2.1004 2.1535 2.1535 3.4006 3.4006 3.5635 3.5635 4.5117 4.5117 4.6953 4.6953 11.6961 11.6961 12.0649 12.0649 12.5513 12.5513 12.7764 12.7764 13.2341 13.2341 k = 0.5000 0.0984 0.4732 ( 2790 PWs) bands (ev): -46.4787 -46.4787 -23.2599 -23.2599 -22.6448 -22.6448 -22.5786 -22.5786 -14.8087 -14.8087 -14.7372 -14.7372 2.1177 2.1177 2.1808 2.1808 3.3855 3.3855 3.5694 3.5694 4.4975 4.4975 4.6602 4.6602 11.6998 11.6998 12.0587 12.0587 12.5471 12.5471 12.8017 12.8017 13.2436 13.2436 k = 0.5000 0.1050 0.4639 ( 2784 PWs) bands (ev): -46.4788 -46.4788 -23.2594 -23.2594 -22.6445 -22.6445 -22.5772 -22.5772 -14.8146 -14.8146 -14.7346 -14.7346 2.1362 2.1362 2.2097 2.2097 3.3700 3.3700 3.5755 3.5755 4.4822 4.4822 4.6232 4.6232 11.7041 11.7041 12.0523 12.0523 12.5427 12.5427 12.8279 12.8279 13.2536 13.2536 k = 0.5000 0.1115 0.4546 ( 2784 PWs) bands (ev): -46.4789 -46.4789 -23.2588 -23.2588 -22.6443 -22.6443 -22.5757 -22.5757 -14.8208 -14.8208 -14.7319 -14.7319 2.1560 2.1560 2.2401 2.2401 3.3541 3.3541 3.5817 3.5817 4.4657 4.4657 4.5846 4.5846 11.7089 11.7089 12.0456 12.0456 12.5382 12.5382 12.8549 12.8549 13.2638 13.2638 k = 0.5000 0.1181 0.4454 ( 2784 PWs) bands (ev): -46.4790 -46.4790 -23.2583 -23.2583 -22.6441 -22.6441 -22.5741 -22.5741 -14.8271 -14.8271 -14.7291 -14.7291 2.1770 2.1770 2.2719 2.2719 3.3379 3.3379 3.5880 3.5880 4.4480 4.4480 4.5443 4.5443 11.7143 11.7143 12.0386 12.0386 12.5335 12.5335 12.8827 12.8827 13.2742 13.2742 k = 0.5000 0.1247 0.4361 ( 2786 PWs) bands (ev): -46.4791 -46.4791 -23.2578 -23.2578 -22.6438 -22.6438 -22.5725 -22.5725 -14.8336 -14.8336 -14.7262 -14.7262 2.1992 2.1992 2.3051 2.3051 3.3216 3.3216 3.5943 3.5943 4.4291 4.4291 4.5026 4.5026 11.7203 11.7203 12.0315 12.0315 12.5288 12.5288 12.9110 12.9110 13.2847 13.2847 k = 0.5000 0.1312 0.4268 ( 2784 PWs) bands (ev): -46.4793 -46.4793 -23.2572 -23.2572 -22.6436 -22.6436 -22.5708 -22.5708 -14.8402 -14.8402 -14.7233 -14.7233 2.2227 2.2227 2.3396 2.3396 3.3051 3.3051 3.6005 3.6005 4.4090 4.4090 4.4597 4.4597 11.7267 11.7267 12.0241 12.0241 12.5241 12.5241 12.9399 12.9399 13.2954 13.2954 k = 0.5000 0.1378 0.4175 ( 2784 PWs) bands (ev): -46.4794 -46.4794 -23.2567 -23.2567 -22.6434 -22.6434 -22.5690 -22.5690 -14.8469 -14.8469 -14.7203 -14.7203 2.2474 2.2474 2.3753 2.3753 3.2887 3.2887 3.6067 3.6067 4.3875 4.3875 4.4156 4.4156 11.7336 11.7336 12.0166 12.0166 12.5194 12.5194 12.9691 12.9691 13.3061 13.3061 k = 0.5000 0.1443 0.4082 ( 2784 PWs) bands (ev): -46.4795 -46.4795 -23.2562 -23.2562 -22.6433 -22.6433 -22.5672 -22.5672 -14.8536 -14.8536 -14.7174 -14.7174 2.2733 2.2733 2.4121 2.4121 3.2723 3.2723 3.6127 3.6127 4.3633 4.3633 4.3720 4.3720 11.7410 11.7410 12.0089 12.0089 12.5147 12.5147 12.9985 12.9985 13.3167 13.3167 k = 0.5000 0.1509 0.3990 ( 2784 PWs) bands (ev): -46.4796 -46.4796 -23.2557 -23.2557 -22.6431 -22.6431 -22.5654 -22.5654 -14.8603 -14.8603 -14.7144 -14.7144 2.3004 2.3004 2.4500 2.4500 3.2561 3.2561 3.6184 3.6184 4.3227 4.3227 4.3428 4.3428 11.7488 11.7488 12.0011 12.0011 12.5102 12.5102 13.0282 13.0282 13.3273 13.3273 k = 0.5000 0.1575 0.3897 ( 2794 PWs) bands (ev): -46.4797 -46.4797 -23.2552 -23.2552 -22.6430 -22.6430 -22.5635 -22.5635 -14.8669 -14.8669 -14.7114 -14.7114 2.3287 2.3287 2.4888 2.4888 3.2402 3.2402 3.6238 3.6238 4.2762 4.2762 4.3176 4.3176 11.7570 11.7570 11.9932 11.9932 12.5058 12.5058 13.0579 13.0579 13.3378 13.3378 k = 0.5000 0.1640 0.3804 ( 2800 PWs) bands (ev): -46.4798 -46.4798 -23.2548 -23.2548 -22.6428 -22.6428 -22.5617 -22.5617 -14.8736 -14.8736 -14.7085 -14.7085 2.3583 2.3583 2.5284 2.5284 3.2246 3.2246 3.6286 3.6286 4.2289 4.2289 4.2917 4.2917 11.7654 11.7654 11.9852 11.9852 12.5016 12.5016 13.0875 13.0875 13.3480 13.3480 k = 0.5000 0.1706 0.3711 ( 2798 PWs) bands (ev): -46.4799 -46.4799 -23.2543 -23.2543 -22.6427 -22.6427 -22.5598 -22.5598 -14.8801 -14.8801 -14.7056 -14.7056 2.3890 2.3890 2.5687 2.5687 3.2095 3.2095 3.6328 3.6328 4.1812 4.1812 4.2646 4.2646 11.7741 11.7741 11.9772 11.9772 12.4975 12.4975 13.1170 13.1170 13.3580 13.3580 k = 0.5000 0.1771 0.3619 ( 2796 PWs) bands (ev): -46.4801 -46.4801 -23.2539 -23.2539 -22.6426 -22.6426 -22.5579 -22.5579 -14.8864 -14.8864 -14.7028 -14.7028 2.4208 2.4208 2.6096 2.6096 3.1950 3.1950 3.6361 3.6361 4.1336 4.1336 4.2366 4.2366 11.7830 11.7830 11.9693 11.9693 12.4937 12.4937 13.1462 13.1462 13.3678 13.3678 k = 0.5000 0.1837 0.3526 ( 2798 PWs) bands (ev): -46.4802 -46.4802 -23.2535 -23.2535 -22.6426 -22.6426 -22.5561 -22.5561 -14.8927 -14.8927 -14.7000 -14.7000 2.4538 2.4538 2.6509 2.6509 3.1811 3.1811 3.6382 3.6382 4.0863 4.0863 4.2077 4.2077 11.7919 11.7919 11.9614 11.9614 12.4901 12.4901 13.1749 13.1749 13.3772 13.3772 k = 0.5000 0.1903 0.3433 ( 2796 PWs) bands (ev): -46.4803 -46.4803 -23.2531 -23.2531 -22.6425 -22.6425 -22.5543 -22.5543 -14.8987 -14.8987 -14.6974 -14.6974 2.4879 2.4879 2.6924 2.6924 3.1680 3.1680 3.6388 3.6388 4.0399 4.0399 4.1778 4.1778 11.8008 11.8008 11.9537 11.9537 12.4867 12.4867 13.2031 13.2031 13.3863 13.3863 k = 0.5000 0.1968 0.3340 ( 2796 PWs) bands (ev): -46.4804 -46.4804 -23.2528 -23.2528 -22.6424 -22.6424 -22.5525 -22.5525 -14.9045 -14.9045 -14.6948 -14.6948 2.5231 2.5231 2.7339 2.7339 3.1558 3.1558 3.6372 3.6372 3.9950 3.9950 4.1471 4.1471 11.8097 11.8097 11.9462 11.9462 12.4836 12.4836 13.2306 13.2306 13.3950 13.3950 k = 0.5000 0.2034 0.3247 ( 2804 PWs) bands (ev): -46.4805 -46.4805 -23.2524 -23.2524 -22.6424 -22.6424 -22.5508 -22.5508 -14.9100 -14.9100 -14.6924 -14.6924 2.5593 2.5593 2.7752 2.7752 3.1446 3.1446 3.6327 3.6327 3.9524 3.9524 4.1158 4.1158 11.8184 11.8184 11.9388 11.9388 12.4807 12.4807 13.2572 13.2572 13.4032 13.4032 k = 0.5000 0.2099 0.3155 ( 2802 PWs) bands (ev): -46.4805 -46.4805 -23.2521 -23.2521 -22.6424 -22.6424 -22.5491 -22.5491 -14.9152 -14.9152 -14.6900 -14.6900 2.5966 2.5966 2.8158 2.8158 3.1348 3.1348 3.6243 3.6243 3.9134 3.9134 4.0839 4.0839 11.8268 11.8268 11.9318 11.9318 12.4781 12.4781 13.2828 13.2828 13.4110 13.4110 k = 0.5000 0.2165 0.3062 ( 2810 PWs) bands (ev): -46.4806 -46.4806 -23.2518 -23.2518 -22.6423 -22.6423 -22.5476 -22.5476 -14.9202 -14.9202 -14.6879 -14.6879 2.6347 2.6347 2.8553 2.8553 3.1265 3.1265 3.6107 3.6107 3.8792 3.8792 4.0517 4.0517 11.8350 11.8350 11.9251 11.9251 12.4757 12.4757 13.3073 13.3073 13.4183 13.4183 k = 0.5000 0.2231 0.2969 ( 2804 PWs) bands (ev): -46.4807 -46.4807 -23.2516 -23.2516 -22.6423 -22.6423 -22.5461 -22.5461 -14.9248 -14.9248 -14.6858 -14.6858 2.6736 2.6736 2.8930 2.8930 3.1204 3.1204 3.5910 3.5910 3.8508 3.8508 4.0193 4.0193 11.8427 11.8427 11.9188 11.9188 12.4736 12.4736 13.3304 13.3304 13.4251 13.4251 k = 0.5000 0.2296 0.2876 ( 2810 PWs) bands (ev): -46.4808 -46.4808 -23.2514 -23.2514 -22.6423 -22.6423 -22.5448 -22.5448 -14.9290 -14.9290 -14.6840 -14.6840 2.7133 2.7133 2.9279 2.9279 3.1173 3.1173 3.5649 3.5649 3.8289 3.8289 3.9870 3.9870 11.8499 11.8499 11.9130 11.9130 12.4717 12.4717 13.3519 13.3519 13.4315 13.4315 k = 0.5000 0.2362 0.2784 ( 2810 PWs) bands (ev): -46.4808 -46.4808 -23.2512 -23.2512 -22.6423 -22.6423 -22.5435 -22.5435 -14.9329 -14.9329 -14.6823 -14.6823 2.7536 2.7536 2.9584 2.9584 3.1183 3.1183 3.5329 3.5329 3.8127 3.8127 3.9552 3.9552 11.8565 11.8565 11.9077 11.9077 12.4700 12.4700 13.3716 13.3716 13.4374 13.4374 k = 0.5000 0.2427 0.2691 ( 2804 PWs) bands (ev): -46.4809 -46.4809 -23.2510 -23.2510 -22.6423 -22.6423 -22.5424 -22.5424 -14.9363 -14.9363 -14.6807 -14.6807 2.7942 2.7942 2.9826 2.9826 3.1249 3.1249 3.4964 3.4964 3.8012 3.8012 3.9245 3.9245 11.8624 11.8624 11.9031 11.9031 12.4686 12.4686 13.3893 13.3893 13.4428 13.4428 k = 0.5000 0.2493 0.2598 ( 2802 PWs) bands (ev): -46.4810 -46.4810 -23.2508 -23.2508 -22.6423 -22.6423 -22.5414 -22.5414 -14.9393 -14.9393 -14.6794 -14.6794 2.8348 2.8348 2.9994 2.9994 3.1378 3.1378 3.4570 3.4570 3.7929 3.7929 3.8954 3.8954 11.8675 11.8675 11.8991 11.8991 12.4674 12.4674 13.4048 13.4048 13.4479 13.4479 k = 0.5000 0.2559 0.2505 ( 2802 PWs) bands (ev): -46.4810 -46.4810 -23.2507 -23.2507 -22.6423 -22.6423 -22.5406 -22.5406 -14.9419 -14.9419 -14.6783 -14.6783 2.8750 2.8750 3.0096 3.0096 3.1557 3.1557 3.4163 3.4163 3.7866 3.7866 3.8689 3.8689 11.8717 11.8717 11.8959 11.8959 12.4663 12.4663 13.4178 13.4178 13.4526 13.4526 k = 0.5000 0.2624 0.2412 ( 2802 PWs) bands (ev): -46.4810 -46.4810 -23.2506 -23.2506 -22.6423 -22.6423 -22.5399 -22.5399 -14.9440 -14.9440 -14.6773 -14.6773 2.9137 2.9137 3.0152 3.0152 3.1757 3.1757 3.3759 3.3759 3.7809 3.7809 3.8461 3.8461 11.8748 11.8748 11.8936 11.8936 12.4655 12.4655 13.4281 13.4281 13.4571 13.4571 k = 0.5000 0.2690 0.2320 ( 2798 PWs) bands (ev): -46.4811 -46.4811 -23.2505 -23.2505 -22.6423 -22.6423 -22.5393 -22.5393 -14.9457 -14.9457 -14.6766 -14.6766 2.9493 2.9493 3.0189 3.0189 3.1948 3.1948 3.3375 3.3375 3.7751 3.7751 3.8284 3.8284 11.8768 11.8768 11.8923 11.8923 12.4649 12.4649 13.4355 13.4355 13.4613 13.4613 k = 0.5000 0.2756 0.2227 ( 2796 PWs) bands (ev): -46.4811 -46.4811 -23.2504 -23.2504 -22.6423 -22.6423 -22.5389 -22.5389 -14.9469 -14.9469 -14.6761 -14.6761 2.9783 2.9783 3.0230 3.0230 3.2105 3.2105 3.3039 3.3039 3.7691 3.7691 3.8168 3.8168 11.8777 11.8777 11.8918 11.8918 12.4644 12.4644 13.4404 13.4404 13.4648 13.4648 k = 0.5000 0.2821 0.2134 ( 2788 PWs) bands (ev): -46.4811 -46.4811 -23.2504 -23.2504 -22.6423 -22.6423 -22.5387 -22.5387 -14.9476 -14.9476 -14.6757 -14.6757 2.9953 2.9953 3.0296 3.0296 3.2210 3.2210 3.2793 3.2793 3.7641 3.7641 3.8106 3.8106 11.8780 11.8780 11.8918 11.8918 12.4641 12.4641 13.4432 13.4432 13.4672 13.4672 k = 0.5000 0.2887 0.2041 ( 2788 PWs) bands (ev): -46.4811 -46.4811 -23.2504 -23.2504 -22.6423 -22.6423 -22.5386 -22.5386 -14.9479 -14.9479 -14.6756 -14.6756 2.9999 2.9999 3.0339 3.0339 3.2249 3.2249 3.2698 3.2698 3.7622 3.7622 3.8088 3.8088 11.8781 11.8781 11.8919 11.8919 12.4641 12.4641 13.4440 13.4440 13.4680 13.4680 k = 0.5000 0.2887 0.2041 ( 2788 PWs) bands (ev): -46.4811 -46.4811 -23.2504 -23.2504 -22.6423 -22.6423 -22.5386 -22.5386 -14.9479 -14.9479 -14.6756 -14.6756 2.9999 2.9999 3.0339 3.0339 3.2249 3.2249 3.2698 3.2698 3.7622 3.7622 3.8088 3.8088 11.8781 11.8781 11.8919 11.8919 12.4641 12.4641 13.4440 13.4440 13.4680 13.4680 k = 0.4967 0.2868 0.2149 ( 2790 PWs) bands (ev): -46.4811 -46.4811 -23.2504 -23.2504 -22.6423 -22.6423 -22.5387 -22.5387 -14.9476 -14.9476 -14.6757 -14.6757 2.9952 2.9952 3.0296 3.0296 3.2210 3.2210 3.2794 3.2794 3.7641 3.7641 3.8107 3.8107 11.8780 11.8780 11.8918 11.8918 12.4641 12.4641 13.4432 13.4432 13.4672 13.4672 k = 0.4934 0.2849 0.2256 ( 2796 PWs) bands (ev): -46.4811 -46.4811 -23.2504 -23.2504 -22.6423 -22.6423 -22.5389 -22.5389 -14.9469 -14.9469 -14.6761 -14.6761 2.9781 2.9781 3.0231 3.0231 3.2103 3.2103 3.3041 3.3041 3.7691 3.7691 3.8169 3.8169 11.8777 11.8777 11.8918 11.8918 12.4644 12.4644 13.4404 13.4404 13.4648 13.4648 k = 0.4901 0.2830 0.2364 ( 2798 PWs) bands (ev): -46.4811 -46.4811 -23.2505 -23.2505 -22.6423 -22.6423 -22.5393 -22.5393 -14.9457 -14.9457 -14.6766 -14.6766 2.9487 2.9487 3.0196 3.0196 3.1939 3.1939 3.3382 3.3382 3.7750 3.7750 3.8287 3.8287 11.8767 11.8767 11.8923 11.8923 12.4649 12.4649 13.4355 13.4355 13.4613 13.4613 k = 0.4868 0.2811 0.2471 ( 2800 PWs) bands (ev): -46.4810 -46.4810 -23.2506 -23.2506 -22.6423 -22.6423 -22.5399 -22.5399 -14.9440 -14.9440 -14.6773 -14.6773 2.9123 2.9123 3.0178 3.0178 3.1729 3.1729 3.3776 3.3776 3.7803 3.7803 3.8467 3.8467 11.8748 11.8748 11.8936 11.8936 12.4655 12.4655 13.4280 13.4280 13.4571 13.4571 k = 0.4836 0.2792 0.2578 ( 2798 PWs) bands (ev): -46.4810 -46.4810 -23.2507 -23.2507 -22.6423 -22.6423 -22.5406 -22.5406 -14.9419 -14.9419 -14.6783 -14.6783 2.8723 2.8723 3.0165 3.0165 3.1482 3.1482 3.4200 3.4200 3.7847 3.7847 3.8703 3.8703 11.8716 11.8716 11.8960 11.8960 12.4663 12.4663 13.4176 13.4176 13.4526 13.4526 k = 0.4803 0.2773 0.2686 ( 2805 PWs) bands (ev): -46.4810 -46.4810 -23.2508 -23.2508 -22.6423 -22.6423 -22.5415 -22.5415 -14.9393 -14.9393 -14.6794 -14.6794 2.8305 2.8305 3.0153 3.0153 3.1209 3.1209 3.4640 3.4640 3.7886 3.7886 3.8981 3.8981 11.8673 11.8673 11.8993 11.8993 12.4674 12.4674 13.4045 13.4045 13.4478 13.4478 k = 0.4770 0.2754 0.2793 ( 2803 PWs) bands (ev): -46.4809 -46.4809 -23.2510 -23.2510 -22.6423 -22.6423 -22.5424 -22.5424 -14.9362 -14.9362 -14.6808 -14.6808 2.7877 2.7877 3.0138 3.0138 3.0921 3.0921 3.5090 3.5090 3.7923 3.7923 3.9290 3.9290 11.8620 11.8620 11.9034 11.9034 12.4686 12.4686 13.3889 13.3889 13.4428 13.4428 k = 0.4737 0.2735 0.2901 ( 2807 PWs) bands (ev): -46.4808 -46.4808 -23.2512 -23.2512 -22.6423 -22.6423 -22.5436 -22.5436 -14.9328 -14.9328 -14.6823 -14.6823 2.7442 2.7442 3.0112 3.0112 3.0631 3.0631 3.5544 3.5544 3.7961 3.7961 3.9621 3.9621 11.8559 11.8559 11.9083 11.9083 12.4701 12.4701 13.3710 13.3710 13.4375 13.4375 k = 0.4704 0.2716 0.3008 ( 2803 PWs) bands (ev): -46.4808 -46.4808 -23.2514 -23.2514 -22.6423 -22.6423 -22.5448 -22.5448 -14.9289 -14.9289 -14.6840 -14.6840 2.7004 2.7004 3.0050 3.0050 3.0370 3.0370 3.5998 3.5998 3.8003 3.8003 3.9969 3.9969 11.8490 11.8490 11.9139 11.9139 12.4717 12.4717 13.3511 13.3511 13.4317 13.4317 k = 0.4671 0.2697 0.3116 ( 2803 PWs) bands (ev): -46.4807 -46.4807 -23.2516 -23.2516 -22.6423 -22.6423 -22.5462 -22.5462 -14.9247 -14.9247 -14.6859 -14.6859 2.6565 2.6565 2.9872 2.9872 3.0222 3.0222 3.6448 3.6448 3.8049 3.8049 4.0330 4.0330 11.8413 11.8413 11.9201 11.9201 12.4736 12.4736 13.3293 13.3293 13.4255 13.4255 k = 0.4638 0.2678 0.3223 ( 2807 PWs) bands (ev): -46.4806 -46.4806 -23.2519 -23.2519 -22.6423 -22.6423 -22.5476 -22.5476 -14.9200 -14.9200 -14.6879 -14.6879 2.6125 2.6125 2.9599 2.9599 3.0169 3.0169 3.6891 3.6891 3.8102 3.8102 4.0699 4.0699 11.8331 11.8331 11.9269 11.9269 12.4758 12.4758 13.3060 13.3060 13.4188 13.4188 k = 0.4605 0.2659 0.3330 ( 2807 PWs) bands (ev): -46.4805 -46.4805 -23.2521 -23.2521 -22.6424 -22.6424 -22.5492 -22.5492 -14.9151 -14.9151 -14.6901 -14.6901 2.5685 2.5685 2.9305 2.9305 3.0139 3.0139 3.7321 3.7321 3.8163 3.8163 4.1076 4.1076 11.8242 11.8242 11.9342 11.9342 12.4782 12.4782 13.2813 13.2813 13.4118 13.4118 k = 0.4572 0.2640 0.3438 ( 2805 PWs) bands (ev): -46.4805 -46.4805 -23.2524 -23.2524 -22.6424 -22.6424 -22.5508 -22.5508 -14.9098 -14.9098 -14.6925 -14.6925 2.5247 2.5247 2.9012 2.9012 3.0115 3.0115 3.7729 3.7729 3.8244 3.8244 4.1459 4.1459 11.8149 11.8149 11.9421 11.9421 12.4808 12.4808 13.2554 13.2554 13.4043 13.4043 k = 0.4539 0.2621 0.3545 ( 2805 PWs) bands (ev): -46.4804 -46.4804 -23.2528 -23.2528 -22.6425 -22.6425 -22.5525 -22.5525 -14.9043 -14.9043 -14.6949 -14.6949 2.4810 2.4810 2.8725 2.8725 3.0091 3.0091 3.8066 3.8066 3.8388 3.8388 4.1846 4.1846 11.8051 11.8051 11.9503 11.9503 12.4836 12.4836 13.2284 13.2284 13.3965 13.3965 k = 0.4507 0.2602 0.3653 ( 2797 PWs) bands (ev): -46.4803 -46.4803 -23.2531 -23.2531 -22.6426 -22.6426 -22.5542 -22.5542 -14.8984 -14.8984 -14.6975 -14.6975 2.4375 2.4375 2.8448 2.8448 3.0065 3.0065 3.8247 3.8247 3.8681 3.8681 4.2237 4.2237 11.7950 11.7950 11.9590 11.9590 12.4867 12.4867 13.2007 13.2007 13.3884 13.3884 k = 0.4474 0.2583 0.3760 ( 2797 PWs) bands (ev): -46.4802 -46.4802 -23.2535 -23.2535 -22.6426 -22.6426 -22.5560 -22.5560 -14.8924 -14.8924 -14.7002 -14.7002 2.3944 2.3944 2.8183 2.8183 3.0037 3.0037 3.8351 3.8351 3.9042 3.9042 4.2630 4.2630 11.7846 11.7846 11.9681 11.9681 12.4901 12.4901 13.1723 13.1723 13.3799 13.3799 k = 0.4441 0.2564 0.3868 ( 2793 PWs) bands (ev): -46.4800 -46.4800 -23.2539 -23.2539 -22.6428 -22.6428 -22.5578 -22.5578 -14.8862 -14.8862 -14.7029 -14.7029 2.3516 2.3516 2.7931 2.7931 3.0005 3.0005 3.8442 3.8442 3.9406 3.9406 4.3025 4.3025 11.7739 11.7739 11.9774 11.9774 12.4936 12.4936 13.1434 13.1434 13.3712 13.3712 k = 0.4408 0.2545 0.3975 ( 2788 PWs) bands (ev): -46.4799 -46.4799 -23.2544 -23.2544 -22.6429 -22.6429 -22.5596 -22.5596 -14.8798 -14.8798 -14.7058 -14.7058 2.3092 2.3092 2.7693 2.7693 2.9971 2.9971 3.8533 3.8533 3.9759 3.9759 4.3421 4.3421 11.7630 11.7630 11.9870 11.9870 12.4973 12.4973 13.1141 13.1141 13.3623 13.3623 k = 0.4375 0.2526 0.4082 ( 2786 PWs) bands (ev): -46.4798 -46.4798 -23.2548 -23.2548 -22.6431 -22.6431 -22.5614 -22.5614 -14.8732 -14.8732 -14.7087 -14.7087 2.2674 2.2674 2.7469 2.7469 2.9932 2.9932 3.8627 3.8627 4.0096 4.0096 4.3817 4.3817 11.7520 11.7520 11.9968 11.9968 12.5012 12.5012 13.0848 13.0848 13.3533 13.3533 k = 0.4342 0.2507 0.4190 ( 2790 PWs) bands (ev): -46.4797 -46.4797 -23.2553 -23.2553 -22.6433 -22.6433 -22.5632 -22.5632 -14.8666 -14.8666 -14.7117 -14.7117 2.2261 2.2261 2.7261 2.7261 2.9890 2.9890 3.8727 3.8727 4.0417 4.0417 4.4211 4.4211 11.7410 11.7410 12.0068 12.0068 12.5051 12.5051 13.0555 13.0555 13.3441 13.3441 k = 0.4309 0.2488 0.4297 ( 2791 PWs) bands (ev): -46.4796 -46.4796 -23.2558 -23.2558 -22.6435 -22.6435 -22.5649 -22.5649 -14.8599 -14.8599 -14.7147 -14.7147 2.1856 2.1856 2.7067 2.7067 2.9843 2.9843 3.8832 3.8832 4.0720 4.0720 4.4602 4.4602 11.7299 11.7299 12.0169 12.0169 12.5091 12.5091 13.0266 13.0266 13.3348 13.3348 k = 0.4276 0.2469 0.4405 ( 2790 PWs) bands (ev): -46.4795 -46.4795 -23.2563 -23.2563 -22.6438 -22.6438 -22.5666 -22.5666 -14.8532 -14.8532 -14.7177 -14.7177 2.1458 2.1458 2.6888 2.6888 2.9793 2.9793 3.8942 3.8942 4.1005 4.1005 4.4989 4.4989 11.7189 11.7189 12.0270 12.0270 12.5130 12.5130 12.9980 12.9980 13.3255 13.3255 k = 0.4243 0.2450 0.4512 ( 2788 PWs) bands (ev): -46.4794 -46.4794 -23.2569 -23.2569 -22.6441 -22.6441 -22.5682 -22.5682 -14.8465 -14.8465 -14.7207 -14.7207 2.1070 2.1070 2.6724 2.6724 2.9738 2.9738 3.9058 3.9058 4.1272 4.1272 4.5369 4.5369 11.7080 11.7080 12.0371 12.0371 12.5167 12.5167 12.9703 12.9703 13.3162 13.3162 k = 0.4211 0.2431 0.4620 ( 2789 PWs) bands (ev): -46.4793 -46.4793 -23.2574 -23.2574 -22.6444 -22.6444 -22.5697 -22.5697 -14.8398 -14.8398 -14.7238 -14.7238 2.0691 2.0691 2.6575 2.6575 2.9678 2.9678 3.9180 3.9180 4.1522 4.1522 4.5741 4.5741 11.6973 11.6973 12.0471 12.0471 12.5201 12.5201 12.9435 12.9435 13.3070 13.3070 k = 0.4178 0.2412 0.4727 ( 2796 PWs) bands (ev): -46.4792 -46.4792 -23.2580 -23.2580 -22.6449 -22.6449 -22.5711 -22.5711 -14.8332 -14.8332 -14.7268 -14.7268 2.0322 2.0322 2.6440 2.6440 2.9615 2.9615 3.9308 3.9308 4.1755 4.1755 4.6104 4.6104 11.6867 11.6867 12.0571 12.0571 12.5229 12.5229 12.9180 12.9180 13.2980 13.2980 k = 0.4145 0.2393 0.4835 ( 2793 PWs) bands (ev): -46.4790 -46.4790 -23.2585 -23.2585 -22.6453 -22.6453 -22.5724 -22.5724 -14.8267 -14.8267 -14.7298 -14.7298 1.9966 1.9966 2.6319 2.6319 2.9547 2.9547 3.9441 3.9441 4.1972 4.1972 4.6455 4.6455 11.6764 11.6764 12.0668 12.0668 12.5250 12.5250 12.8942 12.8942 13.2891 13.2891 k = 0.4112 0.2374 0.4942 ( 2793 PWs) bands (ev): -46.4789 -46.4789 -23.2591 -23.2591 -22.6458 -22.6458 -22.5736 -22.5736 -14.8203 -14.8203 -14.7328 -14.7328 1.9622 1.9622 2.6212 2.6212 2.9475 2.9475 3.9579 3.9579 4.2173 4.2173 4.6793 4.6793 11.6664 11.6664 12.0764 12.0764 12.5262 12.5262 12.8723 12.8723 13.2804 13.2804 k = 0.4079 0.2355 0.5049 ( 2792 PWs) bands (ev): -46.4788 -46.4788 -23.2597 -23.2597 -22.6463 -22.6463 -22.5746 -22.5746 -14.8141 -14.8141 -14.7357 -14.7357 1.9292 1.9292 2.6117 2.6117 2.9399 2.9399 3.9722 3.9722 4.2360 4.2360 4.7115 4.7115 11.6567 11.6567 12.0857 12.0857 12.5260 12.5260 12.8529 12.8529 13.2719 13.2719 k = 0.4046 0.2336 0.5157 ( 2796 PWs) bands (ev): -46.4787 -46.4787 -23.2602 -23.2602 -22.6469 -22.6469 -22.5755 -22.5755 -14.8080 -14.8080 -14.7386 -14.7386 1.8976 1.8976 2.6035 2.6035 2.9319 2.9319 3.9871 3.9871 4.2532 4.2532 4.7421 4.7421 11.6474 11.6474 12.0946 12.0946 12.5244 12.5244 12.8362 12.8362 13.2638 13.2638 k = 0.4013 0.2317 0.5264 ( 2800 PWs) bands (ev): -46.4786 -46.4786 -23.2608 -23.2608 -22.6475 -22.6475 -22.5763 -22.5763 -14.8022 -14.8022 -14.7415 -14.7415 1.8675 1.8675 2.5965 2.5965 2.9235 2.9235 4.0023 4.0023 4.2691 4.2691 4.7708 4.7708 11.6384 11.6384 12.1032 12.1032 12.5210 12.5210 12.8226 12.8226 13.2560 13.2560 k = 0.3980 0.2298 0.5372 ( 2802 PWs) bands (ev): -46.4786 -46.4786 -23.2614 -23.2614 -22.6481 -22.6481 -22.5769 -22.5769 -14.7965 -14.7965 -14.7443 -14.7443 1.8391 1.8391 2.5905 2.5905 2.9147 2.9147 4.0180 4.0180 4.2838 4.2838 4.7975 4.7975 11.6299 11.6299 12.1114 12.1114 12.5158 12.5158 12.8123 12.8123 13.2486 13.2486 k = 0.3947 0.2279 0.5479 ( 2800 PWs) bands (ev): -46.4785 -46.4785 -23.2619 -23.2619 -22.6488 -22.6488 -22.5774 -22.5774 -14.7912 -14.7912 -14.7470 -14.7470 1.8123 1.8123 2.5856 2.5856 2.9055 2.9055 4.0341 4.0341 4.2973 4.2973 4.8221 4.8221 11.6218 11.6218 12.1191 12.1191 12.5088 12.5088 12.8054 12.8054 13.2416 13.2416 k = 0.3914 0.2260 0.5587 ( 2800 PWs) bands (ev): -46.4784 -46.4784 -23.2624 -23.2624 -22.6495 -22.6495 -22.5778 -22.5778 -14.7860 -14.7860 -14.7498 -14.7498 1.7873 1.7873 2.5817 2.5817 2.8960 2.8960 4.0505 4.0505 4.3098 4.3098 4.8444 4.8444 11.6142 11.6142 12.1263 12.1263 12.5004 12.5004 12.8017 12.8017 13.2351 13.2351 k = 0.3882 0.2241 0.5694 ( 2798 PWs) bands (ev): -46.4783 -46.4783 -23.2629 -23.2629 -22.6501 -22.6501 -22.5780 -22.5780 -14.7812 -14.7812 -14.7524 -14.7524 1.7641 1.7641 2.5786 2.5786 2.8862 2.8862 4.0672 4.0672 4.3212 4.3212 4.8643 4.8643 11.6070 11.6070 12.1331 12.1331 12.4907 12.4907 12.8010 12.8010 13.2289 13.2289 k = 0.3849 0.2222 0.5801 ( 2802 PWs) bands (ev): -46.4783 -46.4783 -23.2634 -23.2634 -22.6508 -22.6508 -22.5781 -22.5781 -14.7768 -14.7768 -14.7549 -14.7549 1.7429 1.7429 2.5763 2.5763 2.8761 2.8761 4.0842 4.0842 4.3318 4.3318 4.8816 4.8816 11.6002 11.6002 12.1393 12.1393 12.4803 12.4803 12.8029 12.8029 13.2233 13.2233 k = 0.3816 0.2203 0.5909 ( 2800 PWs) bands (ev): -46.4782 -46.4782 -23.2638 -23.2638 -22.6515 -22.6515 -22.5781 -22.5781 -14.7728 -14.7728 -14.7572 -14.7572 1.7236 1.7236 2.5747 2.5747 2.8656 2.8656 4.1014 4.1014 4.3415 4.3415 4.8963 4.8963 11.5939 11.5939 12.1449 12.1449 12.4697 12.4697 12.8071 12.8071 13.2182 13.2182 k = 0.3783 0.2184 0.6016 ( 2802 PWs) bands (ev): -46.4782 -46.4782 -23.2642 -23.2642 -22.6521 -22.6521 -22.5779 -22.5779 -14.7700 -14.7700 -14.7586 -14.7586 1.7064 1.7064 2.5738 2.5738 2.8549 2.8549 4.1189 4.1189 4.3505 4.3505 4.9083 4.9083 11.5881 11.5881 12.1499 12.1499 12.4593 12.4593 12.8132 12.8132 13.2136 13.2136 k = 0.3750 0.2165 0.6124 ( 2810 PWs) bands (ev): -46.4782 -46.4782 -23.2645 -23.2645 -22.6527 -22.6527 -22.5776 -22.5776 -14.7693 -14.7693 -14.7582 -14.7582 1.6912 1.6912 2.5734 2.5734 2.8440 2.8440 4.1365 4.1365 4.3589 4.3589 4.9175 4.9175 11.5827 11.5827 12.1544 12.1544 12.4494 12.4494 12.8209 12.8209 13.2095 13.2095 k = 0.6250-0.0722 0.4082 ( 2810 PWs) bands (ev): -46.4782 -46.4782 -23.2645 -23.2645 -22.6527 -22.6527 -22.5776 -22.5776 -14.7693 -14.7693 -14.7582 -14.7582 1.6912 1.6912 2.5734 2.5734 2.8440 2.8440 4.1365 4.1365 4.3589 4.3589 4.9175 4.9175 11.5827 11.5827 12.1544 12.1544 12.4495 12.4495 12.8209 12.8209 13.2095 13.2095 k = 0.6193-0.0820 0.4082 ( 2804 PWs) bands (ev): -46.4781 -46.4781 -23.2650 -23.2650 -22.6536 -22.6536 -22.5770 -22.5770 -14.7710 -14.7710 -14.7549 -14.7549 1.6671 1.6671 2.5736 2.5736 2.8253 2.8253 4.1665 4.1665 4.3724 4.3724 4.9307 4.9307 11.5737 11.5737 12.1615 12.1615 12.4335 12.4335 12.8360 12.8360 13.2031 13.2031 k = 0.6136-0.0919 0.4082 ( 2804 PWs) bands (ev): -46.4781 -46.4781 -23.2655 -23.2655 -22.6546 -22.6546 -22.5763 -22.5763 -14.7732 -14.7732 -14.7513 -14.7513 1.6436 1.6436 2.5746 2.5746 2.8074 2.8074 4.1954 4.1954 4.3851 4.3851 4.9435 4.9435 11.5644 11.5644 12.1683 12.1683 12.4183 12.4183 12.8521 12.8521 13.1969 13.1969 k = 0.6080-0.1017 0.4082 ( 2814 PWs) bands (ev): -46.4780 -46.4780 -23.2660 -23.2660 -22.6555 -22.6555 -22.5755 -22.5755 -14.7755 -14.7755 -14.7478 -14.7478 1.6206 1.6206 2.5762 2.5762 2.7904 2.7904 4.2232 4.2232 4.3969 4.3969 4.9557 4.9557 11.5548 11.5548 12.1750 12.1750 12.4038 12.4038 12.8692 12.8692 13.1911 13.1911 k = 0.6023-0.1115 0.4082 ( 2812 PWs) bands (ev): -46.4780 -46.4780 -23.2665 -23.2665 -22.6565 -22.6565 -22.5747 -22.5747 -14.7776 -14.7776 -14.7446 -14.7446 1.5984 1.5984 2.5785 2.5785 2.7743 2.7743 4.2499 4.2499 4.4081 4.4081 4.9673 4.9673 11.5449 11.5449 12.1814 12.1814 12.3902 12.3902 12.8871 12.8871 13.1856 13.1856 k = 0.5966-0.1214 0.4082 ( 2812 PWs) bands (ev): -46.4780 -46.4780 -23.2670 -23.2670 -22.6574 -22.6574 -22.5738 -22.5738 -14.7796 -14.7796 -14.7416 -14.7416 1.5769 1.5769 2.5813 2.5813 2.7590 2.7590 4.2754 4.2754 4.4186 4.4186 4.9782 4.9782 11.5349 11.5349 12.1875 12.1875 12.3774 12.3774 12.9056 12.9056 13.1805 13.1805 k = 0.5909-0.1312 0.4082 ( 2816 PWs) bands (ev): -46.4780 -46.4780 -23.2674 -23.2674 -22.6583 -22.6583 -22.5728 -22.5728 -14.7815 -14.7815 -14.7389 -14.7389 1.5563 1.5563 2.5845 2.5845 2.7445 2.7445 4.2996 4.2996 4.4286 4.4286 4.9884 4.9884 11.5247 11.5247 12.1933 12.1933 12.3654 12.3654 12.9245 12.9245 13.1756 13.1756 k = 0.5852-0.1411 0.4082 ( 2820 PWs) bands (ev): -46.4779 -46.4779 -23.2678 -23.2678 -22.6591 -22.6591 -22.5718 -22.5718 -14.7831 -14.7831 -14.7364 -14.7364 1.5366 1.5366 2.5880 2.5880 2.7310 2.7310 4.3224 4.3224 4.4380 4.4380 4.9979 4.9979 11.5144 11.5144 12.1989 12.1989 12.3543 12.3543 12.9438 12.9438 13.1711 13.1711 k = 0.5795-0.1509 0.4082 ( 2812 PWs) bands (ev): -46.4779 -46.4779 -23.2683 -23.2683 -22.6600 -22.6600 -22.5708 -22.5708 -14.7847 -14.7847 -14.7343 -14.7343 1.5179 1.5179 2.5917 2.5917 2.7184 2.7184 4.3439 4.3439 4.4469 4.4469 5.0067 5.0067 11.5042 11.5042 12.2041 12.2041 12.3442 12.3442 12.9632 12.9632 13.1669 13.1669 k = 0.5739-0.1607 0.4082 ( 2806 PWs) bands (ev): -46.4779 -46.4779 -23.2686 -23.2686 -22.6608 -22.6608 -22.5698 -22.5698 -14.7861 -14.7861 -14.7323 -14.7323 1.5003 1.5003 2.5956 2.5956 2.7066 2.7066 4.3639 4.3639 4.4554 4.4554 5.0147 5.0147 11.4940 11.4940 12.2089 12.2089 12.3350 12.3350 12.9825 12.9825 13.1631 13.1631 k = 0.5682-0.1706 0.4082 ( 2802 PWs) bands (ev): -46.4779 -46.4779 -23.2690 -23.2690 -22.6615 -22.6615 -22.5688 -22.5688 -14.7874 -14.7874 -14.7306 -14.7306 1.4837 1.4837 2.5995 2.5995 2.6957 2.6957 4.3825 4.3825 4.4634 4.4634 5.0220 5.0220 11.4841 11.4841 12.2134 12.2134 12.3266 12.3266 13.0014 13.0014 13.1596 13.1596 k = 0.5625-0.1804 0.4082 ( 2802 PWs) bands (ev): -46.4779 -46.4779 -23.2694 -23.2694 -22.6622 -22.6622 -22.5679 -22.5679 -14.7885 -14.7885 -14.7291 -14.7291 1.4683 1.4683 2.6033 2.6033 2.6858 2.6858 4.3994 4.3994 4.4710 4.4710 5.0286 5.0286 11.4745 11.4745 12.2175 12.2175 12.3192 12.3192 13.0199 13.0199 13.1564 13.1564 k = 0.5568-0.1903 0.4082 ( 2802 PWs) bands (ev): -46.4779 -46.4779 -23.2697 -23.2697 -22.6629 -22.6629 -22.5669 -22.5669 -14.7895 -14.7895 -14.7278 -14.7278 1.4540 1.4540 2.6071 2.6071 2.6767 2.6767 4.4148 4.4148 4.4783 4.4783 5.0345 5.0345 11.4653 11.4653 12.2212 12.2212 12.3126 12.3126 13.0375 13.0375 13.1536 13.1536 k = 0.5511-0.2001 0.4082 ( 2792 PWs) bands (ev): -46.4779 -46.4779 -23.2700 -23.2700 -22.6635 -22.6635 -22.5660 -22.5660 -14.7904 -14.7904 -14.7266 -14.7266 1.4410 1.4410 2.6106 2.6106 2.6687 2.6687 4.4285 4.4285 4.4853 4.4853 5.0397 5.0397 11.4566 11.4566 12.2245 12.2245 12.3069 12.3069 13.0542 13.0542 13.1512 13.1512 k = 0.5455-0.2099 0.4082 ( 2804 PWs) bands (ev): -46.4779 -46.4779 -23.2702 -23.2702 -22.6641 -22.6641 -22.5652 -22.5652 -14.7912 -14.7912 -14.7256 -14.7256 1.4293 1.4293 2.6137 2.6137 2.6616 2.6616 4.4405 4.4405 4.4919 4.4919 5.0442 5.0442 11.4485 11.4485 12.2273 12.2273 12.3020 12.3020 13.0697 13.0697 13.1492 13.1492 k = 0.5398-0.2198 0.4082 ( 2798 PWs) bands (ev): -46.4779 -46.4779 -23.2705 -23.2705 -22.6646 -22.6646 -22.5645 -22.5645 -14.7918 -14.7918 -14.7248 -14.7248 1.4188 1.4188 2.6165 2.6165 2.6555 2.6555 4.4507 4.4507 4.4981 4.4981 5.0481 5.0481 11.4411 11.4411 12.2297 12.2297 12.2979 12.2979 13.0837 13.0837 13.1476 13.1476 k = 0.5341-0.2296 0.4082 ( 2798 PWs) bands (ev): -46.4779 -46.4779 -23.2707 -23.2707 -22.6650 -22.6650 -22.5638 -22.5638 -14.7924 -14.7924 -14.7241 -14.7241 1.4097 1.4097 2.6187 2.6187 2.6505 2.6505 4.4593 4.4593 4.5038 4.5038 5.0515 5.0515 11.4345 11.4345 12.2316 12.2316 12.2945 12.2945 13.0959 13.0959 13.1466 13.1466 k = 0.5284-0.2395 0.4082 ( 2794 PWs) bands (ev): -46.4779 -46.4779 -23.2709 -23.2709 -22.6654 -22.6654 -22.5632 -22.5632 -14.7929 -14.7929 -14.7235 -14.7235 1.4020 1.4020 2.6203 2.6203 2.6467 2.6467 4.4663 4.4663 4.5091 4.5091 5.0542 5.0542 11.4288 11.4288 12.2332 12.2332 12.2918 12.2918 13.1060 13.1060 13.1462 13.1462 k = 0.5227-0.2493 0.4082 ( 2784 PWs) bands (ev): -46.4779 -46.4779 -23.2710 -23.2710 -22.6657 -22.6657 -22.5628 -22.5628 -14.7933 -14.7933 -14.7230 -14.7230 1.3956 1.3956 2.6213 2.6213 2.6440 2.6440 4.4718 4.4718 4.5136 4.5136 5.0564 5.0564 11.4240 11.4240 12.2344 12.2344 12.2898 12.2898 13.1138 13.1138 13.1467 13.1467 k = 0.5170-0.2592 0.4082 ( 2784 PWs) bands (ev): -46.4779 -46.4779 -23.2712 -23.2712 -22.6659 -22.6659 -22.5624 -22.5624 -14.7936 -14.7936 -14.7227 -14.7227 1.3906 1.3906 2.6216 2.6216 2.6423 2.6423 4.4760 4.4760 4.5173 4.5173 5.0581 5.0581 11.4202 11.4202 12.2352 12.2352 12.2883 12.2883 13.1192 13.1192 13.1478 13.1478 k = 0.5114-0.2690 0.4082 ( 2778 PWs) bands (ev): -46.4779 -46.4779 -23.2712 -23.2712 -22.6661 -22.6661 -22.5621 -22.5621 -14.7938 -14.7938 -14.7225 -14.7225 1.3871 1.3871 2.6215 2.6215 2.6414 2.6414 4.4789 4.4789 4.5200 4.5200 5.0593 5.0593 11.4175 11.4175 12.2358 12.2358 12.2872 12.2872 13.1225 13.1225 13.1493 13.1493 k = 0.5057-0.2788 0.4082 ( 2778 PWs) bands (ev): -46.4779 -46.4779 -23.2713 -23.2713 -22.6662 -22.6662 -22.5619 -22.5619 -14.7939 -14.7939 -14.7223 -14.7223 1.3849 1.3849 2.6213 2.6213 2.6410 2.6410 4.4806 4.4806 4.5217 4.5217 5.0601 5.0601 11.4158 11.4158 12.2361 12.2361 12.2867 12.2867 13.1242 13.1242 13.1505 13.1505 k = 0.5000-0.2887 0.4082 ( 2778 PWs) bands (ev): -46.4779 -46.4779 -23.2713 -23.2713 -22.6662 -22.6662 -22.5619 -22.5619 -14.7939 -14.7939 -14.7223 -14.7223 1.3842 1.3842 2.6213 2.6213 2.6409 2.6409 4.4811 4.4811 4.5222 4.5222 5.0603 5.0603 11.4153 11.4153 12.2362 12.2362 12.2865 12.2865 13.1247 13.1247 13.1510 13.1510 Writing output data file TiF2.save init_run : 0.08s CPU 0.20s WALL ( 1 calls) electrons : 85.96s CPU 87.71s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.03s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 85.95s CPU 87.70s 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 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.03s WALL ( 406 calls) cegterg : 79.64s CPU 80.83s WALL ( 406 calls) Called by sum_band: Called by *egterg: h_psi : 51.11s CPU 52.28s WALL ( 6268 calls) s_psi : 0.59s CPU 0.64s WALL ( 6268 calls) g_psi : 0.13s CPU 0.13s WALL ( 5456 calls) cdiaghg : 26.62s CPU 26.67s WALL ( 5862 calls) cegterg:over : 2.57s CPU 2.65s WALL ( 5456 calls) cegterg:upda : 1.64s CPU 1.70s WALL ( 5456 calls) cegterg:last : 1.06s CPU 1.16s WALL ( 1409 calls) cdiaghg:chol : 1.28s CPU 1.36s WALL ( 5862 calls) cdiaghg:inve : 0.79s CPU 0.85s WALL ( 5862 calls) cdiaghg:para : 1.51s CPU 1.48s WALL ( 11724 calls) Called by h_psi: h_psi:vloc : 48.12s CPU 49.16s WALL ( 6268 calls) h_psi:vnl : 2.92s CPU 3.06s WALL ( 6268 calls) add_vuspsi : 1.54s CPU 1.49s WALL ( 6268 calls) General routines calbec : 1.37s CPU 1.56s WALL ( 6268 calls) fft : 0.00s CPU 0.00s WALL ( 15 calls) fftw : 45.53s CPU 46.61s WALL ( 606684 calls) davcio : 0.09s CPU 0.13s WALL ( 812 calls) Parallel routines fft_scatter : 16.31s CPU 16.83s WALL ( 606699 calls) PWSCF : 1m36.50s CPU 1m58.69s WALL This run was terminated on: 18: 0:39 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=