Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:44:51 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: ./B2W.save/ file B.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 23 13 4 551 249 44 Max 24 14 5 554 264 49 Sum 847 499 163 19889 9261 1653 bravais-lattice index = 14 lattice parameter (alat) = 5.7070 a.u. unit-cell volume = 162.5702 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 56.0000 Ry charge density cutoff = 374.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.706972 celldm(2)= 1.000000 celldm(3)= 1.009934 celldm(4)= 0.000000 celldm(5)= 0.000000 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) = ( 0.000000 0.000000 1.009934 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.990164 ) PseudoPot. # 1 for W read from file: /users/gautes/Pseudo/W.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 434a31466ac5fb6822520d5f43d3a35f Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential W 14.00 183.84000 W( 1.00) B 3.00 10.81100 B( 1.00) 24 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 60 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 1 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 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 7 120 deg rotation - cryst. axis [0,0,1] cryst. s( 7) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 8) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( -1 -1 0 ) ( 0 1 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 = 12 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(12) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 13 inversion cryst. s(13) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(14) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(14) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 15 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(15) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 16 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s(16) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 17 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s(17) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(17) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 18 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(18) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s(18) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 19 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s(19) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s(19) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 20 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(20) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(20) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 21 inv. 180 deg rotation - cryst. axis [1,-1,0] cryst. s(21) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(21) = ( -0.5000000 0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 22 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(22) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(22) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 23 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(23) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(23) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 24 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(24) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(24) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_6h(6/mmm) there are 18 classes and 6 irreducible representations the character table: E -E 2C6 -2C6 2C3 -2C3 C2 3C2' 3C2'' i -i 2S3 -C2 -3C2' -3C2' G_7+ 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 1.73 G_8+ 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 2.00 -2.00 -1.73 G_9+ 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 2.00 -2.00 0.00 G_7- 2.00 -2.00 1.73 -1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 -1.73 G_8- 2.00 -2.00 -1.73 1.73 1.00 -1.00 0.00 0.00 0.00 -2.00 2.00 1.73 G_9- 2.00 -2.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 -2.00 2.00 0.00 -2S3 2S6 -2S6 s_h 3s_v 3s_d -s_h -3s_v -3s_d G_7+ -1.73 1.00 -1.00 0.00 0.00 0.00 G_8+ 1.73 1.00 -1.00 0.00 0.00 0.00 G_9+ 0.00 -2.00 2.00 0.00 0.00 0.00 G_7- 1.73 -1.00 1.00 0.00 0.00 0.00 G_8- -1.73 -1.00 1.00 0.00 0.00 0.00 G_9- 0.00 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C6 5 6 60 deg rotation - cryst. axis [0,0,1] -2C6 -5 -6 60 deg rotation - cryst. axis [0,0,1] E 2C3 7 8 120 deg rotation - cryst. axis [0,0,1] -2C3 -7 -8 120 deg rotation - cryst. axis [0,0,1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 3C2'-3C2' 4 -4 12 -11 11 -12 180 deg rotation - cart. axis [1,0,0] 3C2''-3C2' 3 -3 9 10 -10 -9 180 deg rotation - cart. axis [0,1,0] i 13 inversion -i -13 inversion E 2S3 17 18 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -17 -18 inv. 60 deg rotation - cryst. axis [0,0,1] E 2S6 19 20 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -19 -20 inv. 120 deg rotation - cryst. axis [0,0,1] E s_h -s_h 14 -14 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 16 -16 24 -23 23 -24 inv. 180 deg rotation - cart. axis [1,0,0] 3s_d-3s_d 15 -15 21 22 -22 -21 inv. 180 deg rotation - cart. axis [0,1,0] Cartesian axes number of k points= 497 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020121 k( 2) = ( 0.0081967 0.0047324 -0.0000000), wk = 0.0020121 k( 3) = ( 0.0163934 0.0094648 -0.0000000), wk = 0.0020121 k( 4) = ( 0.0245902 0.0141971 -0.0000000), wk = 0.0020121 k( 5) = ( 0.0327869 0.0189295 -0.0000000), wk = 0.0020121 k( 6) = ( 0.0409836 0.0236619 -0.0000000), wk = 0.0020121 k( 7) = ( 0.0491803 0.0283943 -0.0000000), wk = 0.0020121 k( 8) = ( 0.0573770 0.0331267 -0.0000000), wk = 0.0020121 k( 9) = ( 0.0655738 0.0378590 -0.0000000), wk = 0.0020121 k( 10) = ( 0.0737705 0.0425914 -0.0000000), wk = 0.0020121 k( 11) = ( 0.0819672 0.0473238 -0.0000000), wk = 0.0020121 k( 12) = ( 0.0901639 0.0520562 -0.0000000), wk = 0.0020121 k( 13) = ( 0.0983607 0.0567886 -0.0000000), wk = 0.0020121 k( 14) = ( 0.1065574 0.0615209 -0.0000000), wk = 0.0020121 k( 15) = ( 0.1147541 0.0662533 -0.0000000), wk = 0.0020121 k( 16) = ( 0.1229508 0.0709857 -0.0000000), wk = 0.0020121 k( 17) = ( 0.1311475 0.0757181 -0.0000000), wk = 0.0020121 k( 18) = ( 0.1393443 0.0804504 -0.0000000), wk = 0.0020121 k( 19) = ( 0.1475410 0.0851828 -0.0000000), wk = 0.0020121 k( 20) = ( 0.1557377 0.0899152 -0.0000000), wk = 0.0020121 k( 21) = ( 0.1639344 0.0946476 -0.0000000), wk = 0.0020121 k( 22) = ( 0.1721312 0.0993800 -0.0000000), wk = 0.0020121 k( 23) = ( 0.1803279 0.1041123 -0.0000000), wk = 0.0020121 k( 24) = ( 0.1885246 0.1088447 -0.0000000), wk = 0.0020121 k( 25) = ( 0.1967213 0.1135771 -0.0000000), wk = 0.0020121 k( 26) = ( 0.2049180 0.1183095 -0.0000000), wk = 0.0020121 k( 27) = ( 0.2131147 0.1230419 -0.0000000), wk = 0.0020121 k( 28) = ( 0.2213115 0.1277742 -0.0000000), wk = 0.0020121 k( 29) = ( 0.2295082 0.1325066 -0.0000000), wk = 0.0020121 k( 30) = ( 0.2377049 0.1372390 -0.0000000), wk = 0.0020121 k( 31) = ( 0.2459016 0.1419714 -0.0000000), wk = 0.0020121 k( 32) = ( 0.2540984 0.1467038 -0.0000000), wk = 0.0020121 k( 33) = ( 0.2622951 0.1514361 -0.0000000), wk = 0.0020121 k( 34) = ( 0.2704918 0.1561685 -0.0000000), wk = 0.0020121 k( 35) = ( 0.2786885 0.1609009 -0.0000000), wk = 0.0020121 k( 36) = ( 0.2868852 0.1656333 -0.0000000), wk = 0.0020121 k( 37) = ( 0.2950820 0.1703657 -0.0000000), wk = 0.0020121 k( 38) = ( 0.3032787 0.1750980 -0.0000000), wk = 0.0020121 k( 39) = ( 0.3114754 0.1798304 -0.0000000), wk = 0.0020121 k( 40) = ( 0.3196721 0.1845628 -0.0000000), wk = 0.0020121 k( 41) = ( 0.3278688 0.1892952 -0.0000000), wk = 0.0020121 k( 42) = ( 0.3360656 0.1940275 -0.0000000), wk = 0.0020121 k( 43) = ( 0.3442623 0.1987599 -0.0000000), wk = 0.0020121 k( 44) = ( 0.3524590 0.2034923 -0.0000000), wk = 0.0020121 k( 45) = ( 0.3606557 0.2082247 -0.0000000), wk = 0.0020121 k( 46) = ( 0.3688525 0.2129571 -0.0000000), wk = 0.0020121 k( 47) = ( 0.3770492 0.2176894 -0.0000000), wk = 0.0020121 k( 48) = ( 0.3852459 0.2224218 -0.0000000), wk = 0.0020121 k( 49) = ( 0.3934426 0.2271542 -0.0000000), wk = 0.0020121 k( 50) = ( 0.4016393 0.2318866 -0.0000000), wk = 0.0020121 k( 51) = ( 0.4098361 0.2366190 -0.0000000), wk = 0.0020121 k( 52) = ( 0.4180328 0.2413513 -0.0000000), wk = 0.0020121 k( 53) = ( 0.4262295 0.2460837 -0.0000000), wk = 0.0020121 k( 54) = ( 0.4344262 0.2508161 -0.0000000), wk = 0.0020121 k( 55) = ( 0.4426230 0.2555485 -0.0000000), wk = 0.0020121 k( 56) = ( 0.4508197 0.2602809 -0.0000000), wk = 0.0020121 k( 57) = ( 0.4590164 0.2650132 -0.0000000), wk = 0.0020121 k( 58) = ( 0.4672131 0.2697456 -0.0000000), wk = 0.0020121 k( 59) = ( 0.4754098 0.2744780 -0.0000000), wk = 0.0020121 k( 60) = ( 0.4836066 0.2792104 -0.0000000), wk = 0.0020121 k( 61) = ( 0.4918033 0.2839428 -0.0000000), wk = 0.0020121 k( 62) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020121 k( 63) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020121 k( 64) = ( 0.4952381 0.2969230 -0.0000000), wk = 0.0020121 k( 65) = ( 0.4904762 0.3051709 -0.0000000), wk = 0.0020121 k( 66) = ( 0.4857143 0.3134187 -0.0000000), wk = 0.0020121 k( 67) = ( 0.4809524 0.3216666 -0.0000000), wk = 0.0020121 k( 68) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0020121 k( 69) = ( 0.4714286 0.3381623 -0.0000000), wk = 0.0020121 k( 70) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0020121 k( 71) = ( 0.4619048 0.3546580 -0.0000000), wk = 0.0020121 k( 72) = ( 0.4571429 0.3629059 -0.0000000), wk = 0.0020121 k( 73) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0020121 k( 74) = ( 0.4476191 0.3794016 -0.0000000), wk = 0.0020121 k( 75) = ( 0.4428571 0.3876495 -0.0000000), wk = 0.0020121 k( 76) = ( 0.4380952 0.3958973 -0.0000000), wk = 0.0020121 k( 77) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0020121 k( 78) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0020121 k( 79) = ( 0.4238095 0.4206409 -0.0000000), wk = 0.0020121 k( 80) = ( 0.4190476 0.4288888 -0.0000000), wk = 0.0020121 k( 81) = ( 0.4142857 0.4371366 -0.0000000), wk = 0.0020121 k( 82) = ( 0.4095238 0.4453845 -0.0000000), wk = 0.0020121 k( 83) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0020121 k( 84) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0020121 k( 85) = ( 0.3952381 0.4701281 -0.0000000), wk = 0.0020121 k( 86) = ( 0.3904762 0.4783759 -0.0000000), wk = 0.0020121 k( 87) = ( 0.3857143 0.4866238 -0.0000000), wk = 0.0020121 k( 88) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0020121 k( 89) = ( 0.3761905 0.5031195 -0.0000000), wk = 0.0020121 k( 90) = ( 0.3714286 0.5113674 -0.0000000), wk = 0.0020121 k( 91) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0020121 k( 92) = ( 0.3619048 0.5278631 -0.0000000), wk = 0.0020121 k( 93) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0020121 k( 94) = ( 0.3523810 0.5443588 -0.0000000), wk = 0.0020121 k( 95) = ( 0.3476190 0.5526067 -0.0000000), wk = 0.0020121 k( 96) = ( 0.3428571 0.5608545 -0.0000000), wk = 0.0020121 k( 97) = ( 0.3380952 0.5691024 -0.0000000), wk = 0.0020121 k( 98) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020121 k( 99) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020121 k( 100) = ( 0.3285714 0.5691024 -0.0000000), wk = 0.0020121 k( 101) = ( 0.3238095 0.5608545 -0.0000000), wk = 0.0020121 k( 102) = ( 0.3190476 0.5526067 -0.0000000), wk = 0.0020121 k( 103) = ( 0.3142857 0.5443588 -0.0000000), wk = 0.0020121 k( 104) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0020121 k( 105) = ( 0.3047619 0.5278631 -0.0000000), wk = 0.0020121 k( 106) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0020121 k( 107) = ( 0.2952381 0.5113674 -0.0000000), wk = 0.0020121 k( 108) = ( 0.2904762 0.5031195 -0.0000000), wk = 0.0020121 k( 109) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0020121 k( 110) = ( 0.2809524 0.4866238 -0.0000000), wk = 0.0020121 k( 111) = ( 0.2761905 0.4783759 -0.0000000), wk = 0.0020121 k( 112) = ( 0.2714286 0.4701281 -0.0000000), wk = 0.0020121 k( 113) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0020121 k( 114) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0020121 k( 115) = ( 0.2571429 0.4453845 -0.0000000), wk = 0.0020121 k( 116) = ( 0.2523809 0.4371366 -0.0000000), wk = 0.0020121 k( 117) = ( 0.2476191 0.4288888 -0.0000000), wk = 0.0020121 k( 118) = ( 0.2428571 0.4206409 -0.0000000), wk = 0.0020121 k( 119) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0020121 k( 120) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0020121 k( 121) = ( 0.2285714 0.3958973 -0.0000000), wk = 0.0020121 k( 122) = ( 0.2238095 0.3876495 -0.0000000), wk = 0.0020121 k( 123) = ( 0.2190476 0.3794016 -0.0000000), wk = 0.0020121 k( 124) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0020121 k( 125) = ( 0.2095238 0.3629059 -0.0000000), wk = 0.0020121 k( 126) = ( 0.2047619 0.3546580 -0.0000000), wk = 0.0020121 k( 127) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0020121 k( 128) = ( 0.1952381 0.3381623 -0.0000000), wk = 0.0020121 k( 129) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0020121 k( 130) = ( 0.1857143 0.3216666 -0.0000000), wk = 0.0020121 k( 131) = ( 0.1809524 0.3134187 -0.0000000), wk = 0.0020121 k( 132) = ( 0.1761905 0.3051709 -0.0000000), wk = 0.0020121 k( 133) = ( 0.1714286 0.2969230 -0.0000000), wk = 0.0020121 k( 134) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0020121 k( 135) = ( 0.1619048 0.2804273 -0.0000000), wk = 0.0020121 k( 136) = ( 0.1571429 0.2721794 -0.0000000), wk = 0.0020121 k( 137) = ( 0.1523809 0.2639315 -0.0000000), wk = 0.0020121 k( 138) = ( 0.1476191 0.2556837 -0.0000000), wk = 0.0020121 k( 139) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0020121 k( 140) = ( 0.1380952 0.2391880 -0.0000000), wk = 0.0020121 k( 141) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0020121 k( 142) = ( 0.1285714 0.2226922 -0.0000000), wk = 0.0020121 k( 143) = ( 0.1238095 0.2144444 -0.0000000), wk = 0.0020121 k( 144) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0020121 k( 145) = ( 0.1142857 0.1979487 -0.0000000), wk = 0.0020121 k( 146) = ( 0.1095238 0.1897008 -0.0000000), wk = 0.0020121 k( 147) = ( 0.1047619 0.1814529 -0.0000000), wk = 0.0020121 k( 148) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0020121 k( 149) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0020121 k( 150) = ( 0.0904762 0.1567094 -0.0000000), wk = 0.0020121 k( 151) = ( 0.0857143 0.1484615 -0.0000000), wk = 0.0020121 k( 152) = ( 0.0809524 0.1402136 -0.0000000), wk = 0.0020121 k( 153) = ( 0.0761905 0.1319658 -0.0000000), wk = 0.0020121 k( 154) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0020121 k( 155) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0020121 k( 156) = ( 0.0619048 0.1072222 -0.0000000), wk = 0.0020121 k( 157) = ( 0.0571429 0.0989743 -0.0000000), wk = 0.0020121 k( 158) = ( 0.0523810 0.0907265 -0.0000000), wk = 0.0020121 k( 159) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0020121 k( 160) = ( 0.0428571 0.0742307 -0.0000000), wk = 0.0020121 k( 161) = ( 0.0380952 0.0659829 -0.0000000), wk = 0.0020121 k( 162) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0020121 k( 163) = ( 0.0285714 0.0494872 -0.0000000), wk = 0.0020121 k( 164) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0020121 k( 165) = ( 0.0190476 0.0329914 -0.0000000), wk = 0.0020121 k( 166) = ( 0.0142857 0.0247436 -0.0000000), wk = 0.0020121 k( 167) = ( 0.0095238 0.0164957 -0.0000000), wk = 0.0020121 k( 168) = ( 0.0047619 0.0082479 -0.0000000), wk = 0.0020121 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020121 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020121 k( 171) = ( 0.0000000 0.0000000 0.0095208), wk = 0.0020121 k( 172) = ( 0.0000000 0.0000000 0.0190416), wk = 0.0020121 k( 173) = ( 0.0000000 0.0000000 0.0285624), wk = 0.0020121 k( 174) = ( 0.0000000 0.0000000 0.0380832), wk = 0.0020121 k( 175) = ( 0.0000000 0.0000000 0.0476040), wk = 0.0020121 k( 176) = ( 0.0000000 0.0000000 0.0571248), wk = 0.0020121 k( 177) = ( 0.0000000 0.0000000 0.0666456), wk = 0.0020121 k( 178) = ( 0.0000000 0.0000000 0.0761665), wk = 0.0020121 k( 179) = ( 0.0000000 0.0000000 0.0856873), wk = 0.0020121 k( 180) = ( 0.0000000 0.0000000 0.0952081), wk = 0.0020121 k( 181) = ( 0.0000000 0.0000000 0.1047289), wk = 0.0020121 k( 182) = ( 0.0000000 0.0000000 0.1142497), wk = 0.0020121 k( 183) = ( 0.0000000 0.0000000 0.1237705), wk = 0.0020121 k( 184) = ( 0.0000000 0.0000000 0.1332913), wk = 0.0020121 k( 185) = ( 0.0000000 0.0000000 0.1428121), wk = 0.0020121 k( 186) = ( 0.0000000 0.0000000 0.1523329), wk = 0.0020121 k( 187) = ( 0.0000000 0.0000000 0.1618537), wk = 0.0020121 k( 188) = ( 0.0000000 0.0000000 0.1713745), wk = 0.0020121 k( 189) = ( 0.0000000 0.0000000 0.1808953), wk = 0.0020121 k( 190) = ( 0.0000000 0.0000000 0.1904161), wk = 0.0020121 k( 191) = ( 0.0000000 0.0000000 0.1999370), wk = 0.0020121 k( 192) = ( 0.0000000 0.0000000 0.2094578), wk = 0.0020121 k( 193) = ( 0.0000000 0.0000000 0.2189786), wk = 0.0020121 k( 194) = ( 0.0000000 0.0000000 0.2284994), wk = 0.0020121 k( 195) = ( 0.0000000 0.0000000 0.2380202), wk = 0.0020121 k( 196) = ( 0.0000000 0.0000000 0.2475410), wk = 0.0020121 k( 197) = ( 0.0000000 0.0000000 0.2570618), wk = 0.0020121 k( 198) = ( 0.0000000 0.0000000 0.2665826), wk = 0.0020121 k( 199) = ( 0.0000000 0.0000000 0.2761034), wk = 0.0020121 k( 200) = ( 0.0000000 0.0000000 0.2856242), wk = 0.0020121 k( 201) = ( 0.0000000 0.0000000 0.2951450), wk = 0.0020121 k( 202) = ( 0.0000000 0.0000000 0.3046658), wk = 0.0020121 k( 203) = ( 0.0000000 0.0000000 0.3141866), wk = 0.0020121 k( 204) = ( 0.0000000 0.0000000 0.3237074), wk = 0.0020121 k( 205) = ( 0.0000000 0.0000000 0.3332282), wk = 0.0020121 k( 206) = ( 0.0000000 0.0000000 0.3427491), wk = 0.0020121 k( 207) = ( 0.0000000 0.0000000 0.3522699), wk = 0.0020121 k( 208) = ( 0.0000000 0.0000000 0.3617907), wk = 0.0020121 k( 209) = ( 0.0000000 0.0000000 0.3713115), wk = 0.0020121 k( 210) = ( 0.0000000 0.0000000 0.3808323), wk = 0.0020121 k( 211) = ( 0.0000000 0.0000000 0.3903531), wk = 0.0020121 k( 212) = ( 0.0000000 0.0000000 0.3998739), wk = 0.0020121 k( 213) = ( 0.0000000 0.0000000 0.4093947), wk = 0.0020121 k( 214) = ( 0.0000000 0.0000000 0.4189155), wk = 0.0020121 k( 215) = ( 0.0000000 0.0000000 0.4284363), wk = 0.0020121 k( 216) = ( 0.0000000 0.0000000 0.4379571), wk = 0.0020121 k( 217) = ( 0.0000000 0.0000000 0.4474779), wk = 0.0020121 k( 218) = ( 0.0000000 0.0000000 0.4569987), wk = 0.0020121 k( 219) = ( 0.0000000 0.0000000 0.4665195), wk = 0.0020121 k( 220) = ( 0.0000000 0.0000000 0.4760404), wk = 0.0020121 k( 221) = ( 0.0000000 0.0000000 0.4855612), wk = 0.0020121 k( 222) = ( 0.0000000 0.0000000 0.4950820), wk = 0.0020121 k( 223) = ( 0.0000000 0.0000000 0.4950820), wk = 0.0020121 k( 224) = ( 0.0081967 0.0047324 0.4950820), wk = 0.0020121 k( 225) = ( 0.0163934 0.0094648 0.4950820), wk = 0.0020121 k( 226) = ( 0.0245902 0.0141971 0.4950820), wk = 0.0020121 k( 227) = ( 0.0327869 0.0189295 0.4950820), wk = 0.0020121 k( 228) = ( 0.0409836 0.0236619 0.4950820), wk = 0.0020121 k( 229) = ( 0.0491803 0.0283943 0.4950820), wk = 0.0020121 k( 230) = ( 0.0573770 0.0331267 0.4950820), wk = 0.0020121 k( 231) = ( 0.0655738 0.0378590 0.4950820), wk = 0.0020121 k( 232) = ( 0.0737705 0.0425914 0.4950820), wk = 0.0020121 k( 233) = ( 0.0819672 0.0473238 0.4950820), wk = 0.0020121 k( 234) = ( 0.0901639 0.0520562 0.4950820), wk = 0.0020121 k( 235) = ( 0.0983607 0.0567886 0.4950820), wk = 0.0020121 k( 236) = ( 0.1065574 0.0615209 0.4950820), wk = 0.0020121 k( 237) = ( 0.1147541 0.0662533 0.4950820), wk = 0.0020121 k( 238) = ( 0.1229508 0.0709857 0.4950820), wk = 0.0020121 k( 239) = ( 0.1311475 0.0757181 0.4950820), wk = 0.0020121 k( 240) = ( 0.1393443 0.0804504 0.4950820), wk = 0.0020121 k( 241) = ( 0.1475410 0.0851828 0.4950820), wk = 0.0020121 k( 242) = ( 0.1557377 0.0899152 0.4950820), wk = 0.0020121 k( 243) = ( 0.1639344 0.0946476 0.4950820), wk = 0.0020121 k( 244) = ( 0.1721312 0.0993800 0.4950820), wk = 0.0020121 k( 245) = ( 0.1803279 0.1041123 0.4950820), wk = 0.0020121 k( 246) = ( 0.1885246 0.1088447 0.4950820), wk = 0.0020121 k( 247) = ( 0.1967213 0.1135771 0.4950820), wk = 0.0020121 k( 248) = ( 0.2049180 0.1183095 0.4950820), wk = 0.0020121 k( 249) = ( 0.2131147 0.1230419 0.4950820), wk = 0.0020121 k( 250) = ( 0.2213115 0.1277742 0.4950820), wk = 0.0020121 k( 251) = ( 0.2295082 0.1325066 0.4950820), wk = 0.0020121 k( 252) = ( 0.2377049 0.1372390 0.4950820), wk = 0.0020121 k( 253) = ( 0.2459016 0.1419714 0.4950820), wk = 0.0020121 k( 254) = ( 0.2540984 0.1467038 0.4950820), wk = 0.0020121 k( 255) = ( 0.2622951 0.1514361 0.4950820), wk = 0.0020121 k( 256) = ( 0.2704918 0.1561685 0.4950820), wk = 0.0020121 k( 257) = ( 0.2786885 0.1609009 0.4950820), wk = 0.0020121 k( 258) = ( 0.2868852 0.1656333 0.4950820), wk = 0.0020121 k( 259) = ( 0.2950820 0.1703657 0.4950820), wk = 0.0020121 k( 260) = ( 0.3032787 0.1750980 0.4950820), wk = 0.0020121 k( 261) = ( 0.3114754 0.1798304 0.4950820), wk = 0.0020121 k( 262) = ( 0.3196721 0.1845628 0.4950820), wk = 0.0020121 k( 263) = ( 0.3278688 0.1892952 0.4950820), wk = 0.0020121 k( 264) = ( 0.3360656 0.1940275 0.4950820), wk = 0.0020121 k( 265) = ( 0.3442623 0.1987599 0.4950820), wk = 0.0020121 k( 266) = ( 0.3524590 0.2034923 0.4950820), wk = 0.0020121 k( 267) = ( 0.3606557 0.2082247 0.4950820), wk = 0.0020121 k( 268) = ( 0.3688525 0.2129571 0.4950820), wk = 0.0020121 k( 269) = ( 0.3770492 0.2176894 0.4950820), wk = 0.0020121 k( 270) = ( 0.3852459 0.2224218 0.4950820), wk = 0.0020121 k( 271) = ( 0.3934426 0.2271542 0.4950820), wk = 0.0020121 k( 272) = ( 0.4016393 0.2318866 0.4950820), wk = 0.0020121 k( 273) = ( 0.4098361 0.2366190 0.4950820), wk = 0.0020121 k( 274) = ( 0.4180328 0.2413513 0.4950820), wk = 0.0020121 k( 275) = ( 0.4262295 0.2460837 0.4950820), wk = 0.0020121 k( 276) = ( 0.4344262 0.2508161 0.4950820), wk = 0.0020121 k( 277) = ( 0.4426230 0.2555485 0.4950820), wk = 0.0020121 k( 278) = ( 0.4508197 0.2602809 0.4950820), wk = 0.0020121 k( 279) = ( 0.4590164 0.2650132 0.4950820), wk = 0.0020121 k( 280) = ( 0.4672131 0.2697456 0.4950820), wk = 0.0020121 k( 281) = ( 0.4754098 0.2744780 0.4950820), wk = 0.0020121 k( 282) = ( 0.4836066 0.2792104 0.4950820), wk = 0.0020121 k( 283) = ( 0.4918033 0.2839428 0.4950820), wk = 0.0020121 k( 284) = ( 0.5000000 0.2886751 0.4950820), wk = 0.0020121 k( 285) = ( 0.5000000 0.2886751 0.4950820), wk = 0.0020121 k( 286) = ( 0.4952381 0.2969230 0.4950820), wk = 0.0020121 k( 287) = ( 0.4904762 0.3051709 0.4950820), wk = 0.0020121 k( 288) = ( 0.4857143 0.3134187 0.4950820), wk = 0.0020121 k( 289) = ( 0.4809524 0.3216666 0.4950820), wk = 0.0020121 k( 290) = ( 0.4761905 0.3299144 0.4950820), wk = 0.0020121 k( 291) = ( 0.4714286 0.3381623 0.4950820), wk = 0.0020121 k( 292) = ( 0.4666667 0.3464102 0.4950820), wk = 0.0020121 k( 293) = ( 0.4619048 0.3546580 0.4950820), wk = 0.0020121 k( 294) = ( 0.4571429 0.3629059 0.4950820), wk = 0.0020121 k( 295) = ( 0.4523810 0.3711537 0.4950820), wk = 0.0020121 k( 296) = ( 0.4476191 0.3794016 0.4950820), wk = 0.0020121 k( 297) = ( 0.4428571 0.3876495 0.4950820), wk = 0.0020121 k( 298) = ( 0.4380952 0.3958973 0.4950820), wk = 0.0020121 k( 299) = ( 0.4333333 0.4041452 0.4950820), wk = 0.0020121 k( 300) = ( 0.4285714 0.4123930 0.4950820), wk = 0.0020121 k( 301) = ( 0.4238095 0.4206409 0.4950820), wk = 0.0020121 k( 302) = ( 0.4190476 0.4288888 0.4950820), wk = 0.0020121 k( 303) = ( 0.4142857 0.4371366 0.4950820), wk = 0.0020121 k( 304) = ( 0.4095238 0.4453845 0.4950820), wk = 0.0020121 k( 305) = ( 0.4047619 0.4536324 0.4950820), wk = 0.0020121 k( 306) = ( 0.4000000 0.4618802 0.4950820), wk = 0.0020121 k( 307) = ( 0.3952381 0.4701281 0.4950820), wk = 0.0020121 k( 308) = ( 0.3904762 0.4783759 0.4950820), wk = 0.0020121 k( 309) = ( 0.3857143 0.4866238 0.4950820), wk = 0.0020121 k( 310) = ( 0.3809524 0.4948717 0.4950820), wk = 0.0020121 k( 311) = ( 0.3761905 0.5031195 0.4950820), wk = 0.0020121 k( 312) = ( 0.3714286 0.5113674 0.4950820), wk = 0.0020121 k( 313) = ( 0.3666667 0.5196152 0.4950820), wk = 0.0020121 k( 314) = ( 0.3619048 0.5278631 0.4950820), wk = 0.0020121 k( 315) = ( 0.3571429 0.5361110 0.4950820), wk = 0.0020121 k( 316) = ( 0.3523810 0.5443588 0.4950820), wk = 0.0020121 k( 317) = ( 0.3476190 0.5526067 0.4950820), wk = 0.0020121 k( 318) = ( 0.3428571 0.5608545 0.4950820), wk = 0.0020121 k( 319) = ( 0.3380952 0.5691024 0.4950820), wk = 0.0020121 k( 320) = ( 0.3333333 0.5773503 0.4950820), wk = 0.0020121 k( 321) = ( 0.3333333 0.5773503 0.4950820), wk = 0.0020121 k( 322) = ( 0.3285714 0.5691024 0.4950820), wk = 0.0020121 k( 323) = ( 0.3238095 0.5608545 0.4950820), wk = 0.0020121 k( 324) = ( 0.3190476 0.5526067 0.4950820), wk = 0.0020121 k( 325) = ( 0.3142857 0.5443588 0.4950820), wk = 0.0020121 k( 326) = ( 0.3095238 0.5361110 0.4950820), wk = 0.0020121 k( 327) = ( 0.3047619 0.5278631 0.4950820), wk = 0.0020121 k( 328) = ( 0.3000000 0.5196152 0.4950820), wk = 0.0020121 k( 329) = ( 0.2952381 0.5113674 0.4950820), wk = 0.0020121 k( 330) = ( 0.2904762 0.5031195 0.4950820), wk = 0.0020121 k( 331) = ( 0.2857143 0.4948717 0.4950820), wk = 0.0020121 k( 332) = ( 0.2809524 0.4866238 0.4950820), wk = 0.0020121 k( 333) = ( 0.2761905 0.4783759 0.4950820), wk = 0.0020121 k( 334) = ( 0.2714286 0.4701281 0.4950820), wk = 0.0020121 k( 335) = ( 0.2666667 0.4618802 0.4950820), wk = 0.0020121 k( 336) = ( 0.2619048 0.4536324 0.4950820), wk = 0.0020121 k( 337) = ( 0.2571429 0.4453845 0.4950820), wk = 0.0020121 k( 338) = ( 0.2523809 0.4371366 0.4950820), wk = 0.0020121 k( 339) = ( 0.2476191 0.4288888 0.4950820), wk = 0.0020121 k( 340) = ( 0.2428571 0.4206409 0.4950820), wk = 0.0020121 k( 341) = ( 0.2380952 0.4123931 0.4950820), wk = 0.0020121 k( 342) = ( 0.2333333 0.4041452 0.4950820), wk = 0.0020121 k( 343) = ( 0.2285714 0.3958973 0.4950820), wk = 0.0020121 k( 344) = ( 0.2238095 0.3876495 0.4950820), wk = 0.0020121 k( 345) = ( 0.2190476 0.3794016 0.4950820), wk = 0.0020121 k( 346) = ( 0.2142857 0.3711537 0.4950820), wk = 0.0020121 k( 347) = ( 0.2095238 0.3629059 0.4950820), wk = 0.0020121 k( 348) = ( 0.2047619 0.3546580 0.4950820), wk = 0.0020121 k( 349) = ( 0.2000000 0.3464102 0.4950820), wk = 0.0020121 k( 350) = ( 0.1952381 0.3381623 0.4950820), wk = 0.0020121 k( 351) = ( 0.1904762 0.3299144 0.4950820), wk = 0.0020121 k( 352) = ( 0.1857143 0.3216666 0.4950820), wk = 0.0020121 k( 353) = ( 0.1809524 0.3134187 0.4950820), wk = 0.0020121 k( 354) = ( 0.1761905 0.3051709 0.4950820), wk = 0.0020121 k( 355) = ( 0.1714286 0.2969230 0.4950820), wk = 0.0020121 k( 356) = ( 0.1666667 0.2886751 0.4950820), wk = 0.0020121 k( 357) = ( 0.1619048 0.2804273 0.4950820), wk = 0.0020121 k( 358) = ( 0.1571429 0.2721794 0.4950820), wk = 0.0020121 k( 359) = ( 0.1523809 0.2639315 0.4950820), wk = 0.0020121 k( 360) = ( 0.1476191 0.2556837 0.4950820), wk = 0.0020121 k( 361) = ( 0.1428571 0.2474358 0.4950820), wk = 0.0020121 k( 362) = ( 0.1380952 0.2391880 0.4950820), wk = 0.0020121 k( 363) = ( 0.1333333 0.2309401 0.4950820), wk = 0.0020121 k( 364) = ( 0.1285714 0.2226922 0.4950820), wk = 0.0020121 k( 365) = ( 0.1238095 0.2144444 0.4950820), wk = 0.0020121 k( 366) = ( 0.1190476 0.2061965 0.4950820), wk = 0.0020121 k( 367) = ( 0.1142857 0.1979487 0.4950820), wk = 0.0020121 k( 368) = ( 0.1095238 0.1897008 0.4950820), wk = 0.0020121 k( 369) = ( 0.1047619 0.1814529 0.4950820), wk = 0.0020121 k( 370) = ( 0.1000000 0.1732051 0.4950820), wk = 0.0020121 k( 371) = ( 0.0952381 0.1649572 0.4950820), wk = 0.0020121 k( 372) = ( 0.0904762 0.1567094 0.4950820), wk = 0.0020121 k( 373) = ( 0.0857143 0.1484615 0.4950820), wk = 0.0020121 k( 374) = ( 0.0809524 0.1402136 0.4950820), wk = 0.0020121 k( 375) = ( 0.0761905 0.1319658 0.4950820), wk = 0.0020121 k( 376) = ( 0.0714286 0.1237179 0.4950820), wk = 0.0020121 k( 377) = ( 0.0666667 0.1154701 0.4950820), wk = 0.0020121 k( 378) = ( 0.0619048 0.1072222 0.4950820), wk = 0.0020121 k( 379) = ( 0.0571429 0.0989743 0.4950820), wk = 0.0020121 k( 380) = ( 0.0523810 0.0907265 0.4950820), wk = 0.0020121 k( 381) = ( 0.0476191 0.0824786 0.4950820), wk = 0.0020121 k( 382) = ( 0.0428571 0.0742307 0.4950820), wk = 0.0020121 k( 383) = ( 0.0380952 0.0659829 0.4950820), wk = 0.0020121 k( 384) = ( 0.0333333 0.0577350 0.4950820), wk = 0.0020121 k( 385) = ( 0.0285714 0.0494872 0.4950820), wk = 0.0020121 k( 386) = ( 0.0238095 0.0412393 0.4950820), wk = 0.0020121 k( 387) = ( 0.0190476 0.0329914 0.4950820), wk = 0.0020121 k( 388) = ( 0.0142857 0.0247436 0.4950820), wk = 0.0020121 k( 389) = ( 0.0095238 0.0164957 0.4950820), wk = 0.0020121 k( 390) = ( 0.0047619 0.0082479 0.4950820), wk = 0.0020121 k( 391) = ( 0.0000000 0.0000000 0.4950820), wk = 0.0020121 k( 392) = ( 0.5000000 0.2886751 0.4950820), wk = 0.0020121 k( 393) = ( 0.5000000 0.2886751 0.4855612), wk = 0.0020121 k( 394) = ( 0.5000000 0.2886751 0.4760404), wk = 0.0020121 k( 395) = ( 0.5000000 0.2886751 0.4665195), wk = 0.0020121 k( 396) = ( 0.5000000 0.2886751 0.4569987), wk = 0.0020121 k( 397) = ( 0.5000000 0.2886751 0.4474779), wk = 0.0020121 k( 398) = ( 0.5000000 0.2886751 0.4379571), wk = 0.0020121 k( 399) = ( 0.5000000 0.2886751 0.4284363), wk = 0.0020121 k( 400) = ( 0.5000000 0.2886751 0.4189155), wk = 0.0020121 k( 401) = ( 0.5000000 0.2886751 0.4093947), wk = 0.0020121 k( 402) = ( 0.5000000 0.2886751 0.3998739), wk = 0.0020121 k( 403) = ( 0.5000000 0.2886751 0.3903531), wk = 0.0020121 k( 404) = ( 0.5000000 0.2886751 0.3808323), wk = 0.0020121 k( 405) = ( 0.5000000 0.2886751 0.3713115), wk = 0.0020121 k( 406) = ( 0.5000000 0.2886751 0.3617907), wk = 0.0020121 k( 407) = ( 0.5000000 0.2886751 0.3522699), wk = 0.0020121 k( 408) = ( 0.5000000 0.2886751 0.3427491), wk = 0.0020121 k( 409) = ( 0.5000000 0.2886751 0.3332282), wk = 0.0020121 k( 410) = ( 0.5000000 0.2886751 0.3237074), wk = 0.0020121 k( 411) = ( 0.5000000 0.2886751 0.3141866), wk = 0.0020121 k( 412) = ( 0.5000000 0.2886751 0.3046658), wk = 0.0020121 k( 413) = ( 0.5000000 0.2886751 0.2951450), wk = 0.0020121 k( 414) = ( 0.5000000 0.2886751 0.2856242), wk = 0.0020121 k( 415) = ( 0.5000000 0.2886751 0.2761034), wk = 0.0020121 k( 416) = ( 0.5000000 0.2886751 0.2665826), wk = 0.0020121 k( 417) = ( 0.5000000 0.2886751 0.2570618), wk = 0.0020121 k( 418) = ( 0.5000000 0.2886751 0.2475410), wk = 0.0020121 k( 419) = ( 0.5000000 0.2886751 0.2380202), wk = 0.0020121 k( 420) = ( 0.5000000 0.2886751 0.2284994), wk = 0.0020121 k( 421) = ( 0.5000000 0.2886751 0.2189786), wk = 0.0020121 k( 422) = ( 0.5000000 0.2886751 0.2094578), wk = 0.0020121 k( 423) = ( 0.5000000 0.2886751 0.1999370), wk = 0.0020121 k( 424) = ( 0.5000000 0.2886751 0.1904161), wk = 0.0020121 k( 425) = ( 0.5000000 0.2886751 0.1808953), wk = 0.0020121 k( 426) = ( 0.5000000 0.2886751 0.1713745), wk = 0.0020121 k( 427) = ( 0.5000000 0.2886751 0.1618537), wk = 0.0020121 k( 428) = ( 0.5000000 0.2886751 0.1523329), wk = 0.0020121 k( 429) = ( 0.5000000 0.2886751 0.1428121), wk = 0.0020121 k( 430) = ( 0.5000000 0.2886751 0.1332913), wk = 0.0020121 k( 431) = ( 0.5000000 0.2886751 0.1237705), wk = 0.0020121 k( 432) = ( 0.5000000 0.2886751 0.1142497), wk = 0.0020121 k( 433) = ( 0.5000000 0.2886751 0.1047289), wk = 0.0020121 k( 434) = ( 0.5000000 0.2886751 0.0952081), wk = 0.0020121 k( 435) = ( 0.5000000 0.2886751 0.0856873), wk = 0.0020121 k( 436) = ( 0.5000000 0.2886751 0.0761665), wk = 0.0020121 k( 437) = ( 0.5000000 0.2886751 0.0666456), wk = 0.0020121 k( 438) = ( 0.5000000 0.2886751 0.0571248), wk = 0.0020121 k( 439) = ( 0.5000000 0.2886751 0.0476040), wk = 0.0020121 k( 440) = ( 0.5000000 0.2886751 0.0380832), wk = 0.0020121 k( 441) = ( 0.5000000 0.2886751 0.0285624), wk = 0.0020121 k( 442) = ( 0.5000000 0.2886751 0.0190416), wk = 0.0020121 k( 443) = ( 0.5000000 0.2886751 0.0095208), wk = 0.0020121 k( 444) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020121 k( 445) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020121 k( 446) = ( 0.3333333 0.5773503 0.0095208), wk = 0.0020121 k( 447) = ( 0.3333333 0.5773503 0.0190416), wk = 0.0020121 k( 448) = ( 0.3333333 0.5773503 0.0285624), wk = 0.0020121 k( 449) = ( 0.3333333 0.5773503 0.0380832), wk = 0.0020121 k( 450) = ( 0.3333333 0.5773503 0.0476040), wk = 0.0020121 k( 451) = ( 0.3333333 0.5773503 0.0571248), wk = 0.0020121 k( 452) = ( 0.3333333 0.5773503 0.0666456), wk = 0.0020121 k( 453) = ( 0.3333333 0.5773503 0.0761665), wk = 0.0020121 k( 454) = ( 0.3333333 0.5773503 0.0856873), wk = 0.0020121 k( 455) = ( 0.3333333 0.5773503 0.0952081), wk = 0.0020121 k( 456) = ( 0.3333333 0.5773503 0.1047289), wk = 0.0020121 k( 457) = ( 0.3333333 0.5773503 0.1142497), wk = 0.0020121 k( 458) = ( 0.3333333 0.5773503 0.1237705), wk = 0.0020121 k( 459) = ( 0.3333333 0.5773503 0.1332913), wk = 0.0020121 k( 460) = ( 0.3333333 0.5773503 0.1428121), wk = 0.0020121 k( 461) = ( 0.3333333 0.5773503 0.1523329), wk = 0.0020121 k( 462) = ( 0.3333333 0.5773503 0.1618537), wk = 0.0020121 k( 463) = ( 0.3333333 0.5773503 0.1713745), wk = 0.0020121 k( 464) = ( 0.3333333 0.5773503 0.1808953), wk = 0.0020121 k( 465) = ( 0.3333333 0.5773503 0.1904161), wk = 0.0020121 k( 466) = ( 0.3333333 0.5773503 0.1999370), wk = 0.0020121 k( 467) = ( 0.3333333 0.5773503 0.2094578), wk = 0.0020121 k( 468) = ( 0.3333333 0.5773503 0.2189786), wk = 0.0020121 k( 469) = ( 0.3333333 0.5773503 0.2284994), wk = 0.0020121 k( 470) = ( 0.3333333 0.5773503 0.2380202), wk = 0.0020121 k( 471) = ( 0.3333333 0.5773503 0.2475410), wk = 0.0020121 k( 472) = ( 0.3333333 0.5773503 0.2570618), wk = 0.0020121 k( 473) = ( 0.3333333 0.5773503 0.2665826), wk = 0.0020121 k( 474) = ( 0.3333333 0.5773503 0.2761034), wk = 0.0020121 k( 475) = ( 0.3333333 0.5773503 0.2856242), wk = 0.0020121 k( 476) = ( 0.3333333 0.5773503 0.2951450), wk = 0.0020121 k( 477) = ( 0.3333333 0.5773503 0.3046658), wk = 0.0020121 k( 478) = ( 0.3333333 0.5773503 0.3141866), wk = 0.0020121 k( 479) = ( 0.3333333 0.5773503 0.3237074), wk = 0.0020121 k( 480) = ( 0.3333333 0.5773503 0.3332282), wk = 0.0020121 k( 481) = ( 0.3333333 0.5773503 0.3427491), wk = 0.0020121 k( 482) = ( 0.3333333 0.5773503 0.3522699), wk = 0.0020121 k( 483) = ( 0.3333333 0.5773503 0.3617907), wk = 0.0020121 k( 484) = ( 0.3333333 0.5773503 0.3713115), wk = 0.0020121 k( 485) = ( 0.3333333 0.5773503 0.3808323), wk = 0.0020121 k( 486) = ( 0.3333333 0.5773503 0.3903531), wk = 0.0020121 k( 487) = ( 0.3333333 0.5773503 0.3998739), wk = 0.0020121 k( 488) = ( 0.3333333 0.5773503 0.4093947), wk = 0.0020121 k( 489) = ( 0.3333333 0.5773503 0.4189155), wk = 0.0020121 k( 490) = ( 0.3333333 0.5773503 0.4284363), wk = 0.0020121 k( 491) = ( 0.3333333 0.5773503 0.4379571), wk = 0.0020121 k( 492) = ( 0.3333333 0.5773503 0.4474779), wk = 0.0020121 k( 493) = ( 0.3333333 0.5773503 0.4569987), wk = 0.0020121 k( 494) = ( 0.3333333 0.5773503 0.4665195), wk = 0.0020121 k( 495) = ( 0.3333333 0.5773503 0.4760404), wk = 0.0020121 k( 496) = ( 0.3333333 0.5773503 0.4855612), wk = 0.0020121 k( 497) = ( 0.3333333 0.5773503 0.4950820), wk = 0.0020121 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020121 k( 2) = ( 0.0081967 0.0000000 0.0000000), wk = 0.0020121 k( 3) = ( 0.0163934 0.0000000 0.0000000), wk = 0.0020121 k( 4) = ( 0.0245902 0.0000000 -0.0000000), wk = 0.0020121 k( 5) = ( 0.0327869 0.0000000 -0.0000000), wk = 0.0020121 k( 6) = ( 0.0409836 0.0000000 0.0000000), wk = 0.0020121 k( 7) = ( 0.0491803 0.0000000 0.0000000), wk = 0.0020121 k( 8) = ( 0.0573770 0.0000000 -0.0000000), wk = 0.0020121 k( 9) = ( 0.0655738 0.0000000 -0.0000000), wk = 0.0020121 k( 10) = ( 0.0737705 0.0000000 0.0000000), wk = 0.0020121 k( 11) = ( 0.0819672 0.0000000 -0.0000000), wk = 0.0020121 k( 12) = ( 0.0901639 0.0000000 -0.0000000), wk = 0.0020121 k( 13) = ( 0.0983607 0.0000000 0.0000000), wk = 0.0020121 k( 14) = ( 0.1065574 0.0000000 -0.0000000), wk = 0.0020121 k( 15) = ( 0.1147541 0.0000000 -0.0000000), wk = 0.0020121 k( 16) = ( 0.1229508 0.0000000 0.0000000), wk = 0.0020121 k( 17) = ( 0.1311475 0.0000000 -0.0000000), wk = 0.0020121 k( 18) = ( 0.1393443 0.0000000 -0.0000000), wk = 0.0020121 k( 19) = ( 0.1475410 0.0000000 0.0000000), wk = 0.0020121 k( 20) = ( 0.1557377 0.0000000 -0.0000000), wk = 0.0020121 k( 21) = ( 0.1639344 0.0000000 -0.0000000), wk = 0.0020121 k( 22) = ( 0.1721312 0.0000000 -0.0000000), wk = 0.0020121 k( 23) = ( 0.1803279 0.0000000 -0.0000000), wk = 0.0020121 k( 24) = ( 0.1885246 0.0000000 -0.0000000), wk = 0.0020121 k( 25) = ( 0.1967213 0.0000000 -0.0000000), wk = 0.0020121 k( 26) = ( 0.2049180 0.0000000 -0.0000000), wk = 0.0020121 k( 27) = ( 0.2131147 0.0000000 -0.0000000), wk = 0.0020121 k( 28) = ( 0.2213115 0.0000000 -0.0000000), wk = 0.0020121 k( 29) = ( 0.2295082 0.0000000 -0.0000000), wk = 0.0020121 k( 30) = ( 0.2377049 0.0000000 0.0000000), wk = 0.0020121 k( 31) = ( 0.2459016 0.0000000 0.0000000), wk = 0.0020121 k( 32) = ( 0.2540984 0.0000000 -0.0000000), wk = 0.0020121 k( 33) = ( 0.2622951 0.0000000 -0.0000000), wk = 0.0020121 k( 34) = ( 0.2704918 0.0000000 -0.0000000), wk = 0.0020121 k( 35) = ( 0.2786885 0.0000000 -0.0000000), wk = 0.0020121 k( 36) = ( 0.2868852 0.0000000 -0.0000000), wk = 0.0020121 k( 37) = ( 0.2950820 0.0000000 -0.0000000), wk = 0.0020121 k( 38) = ( 0.3032787 0.0000000 -0.0000000), wk = 0.0020121 k( 39) = ( 0.3114754 0.0000000 0.0000000), wk = 0.0020121 k( 40) = ( 0.3196721 0.0000000 0.0000000), wk = 0.0020121 k( 41) = ( 0.3278688 0.0000000 -0.0000000), wk = 0.0020121 k( 42) = ( 0.3360656 0.0000000 -0.0000000), wk = 0.0020121 k( 43) = ( 0.3442623 0.0000000 -0.0000000), wk = 0.0020121 k( 44) = ( 0.3524590 0.0000000 0.0000000), wk = 0.0020121 k( 45) = ( 0.3606557 0.0000000 -0.0000000), wk = 0.0020121 k( 46) = ( 0.3688525 0.0000000 0.0000000), wk = 0.0020121 k( 47) = ( 0.3770492 0.0000000 -0.0000000), wk = 0.0020121 k( 48) = ( 0.3852459 0.0000000 0.0000000), wk = 0.0020121 k( 49) = ( 0.3934426 0.0000000 -0.0000000), wk = 0.0020121 k( 50) = ( 0.4016393 0.0000000 0.0000000), wk = 0.0020121 k( 51) = ( 0.4098361 0.0000000 -0.0000000), wk = 0.0020121 k( 52) = ( 0.4180328 0.0000000 -0.0000000), wk = 0.0020121 k( 53) = ( 0.4262295 0.0000000 -0.0000000), wk = 0.0020121 k( 54) = ( 0.4344262 0.0000000 0.0000000), wk = 0.0020121 k( 55) = ( 0.4426230 0.0000000 -0.0000000), wk = 0.0020121 k( 56) = ( 0.4508197 0.0000000 -0.0000000), wk = 0.0020121 k( 57) = ( 0.4590164 0.0000000 0.0000000), wk = 0.0020121 k( 58) = ( 0.4672131 0.0000000 -0.0000000), wk = 0.0020121 k( 59) = ( 0.4754098 0.0000000 0.0000000), wk = 0.0020121 k( 60) = ( 0.4836066 0.0000000 0.0000000), wk = 0.0020121 k( 61) = ( 0.4918033 0.0000000 0.0000000), wk = 0.0020121 k( 62) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0020121 k( 63) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0020121 k( 64) = ( 0.4952381 0.0095238 -0.0000000), wk = 0.0020121 k( 65) = ( 0.4904762 0.0190476 -0.0000000), wk = 0.0020121 k( 66) = ( 0.4857143 0.0285714 -0.0000000), wk = 0.0020121 k( 67) = ( 0.4809524 0.0380952 -0.0000000), wk = 0.0020121 k( 68) = ( 0.4761905 0.0476191 -0.0000000), wk = 0.0020121 k( 69) = ( 0.4714286 0.0571429 -0.0000000), wk = 0.0020121 k( 70) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0020121 k( 71) = ( 0.4619048 0.0761905 0.0000000), wk = 0.0020121 k( 72) = ( 0.4571429 0.0857143 -0.0000000), wk = 0.0020121 k( 73) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0020121 k( 74) = ( 0.4476191 0.1047619 -0.0000000), wk = 0.0020121 k( 75) = ( 0.4428571 0.1142857 -0.0000000), wk = 0.0020121 k( 76) = ( 0.4380952 0.1238095 -0.0000000), wk = 0.0020121 k( 77) = ( 0.4333333 0.1333333 -0.0000000), wk = 0.0020121 k( 78) = ( 0.4285714 0.1428571 -0.0000000), wk = 0.0020121 k( 79) = ( 0.4238095 0.1523810 0.0000000), wk = 0.0020121 k( 80) = ( 0.4190476 0.1619048 -0.0000000), wk = 0.0020121 k( 81) = ( 0.4142857 0.1714286 0.0000000), wk = 0.0020121 k( 82) = ( 0.4095238 0.1809524 0.0000000), wk = 0.0020121 k( 83) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0020121 k( 84) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0020121 k( 85) = ( 0.3952381 0.2095238 0.0000000), wk = 0.0020121 k( 86) = ( 0.3904762 0.2190476 0.0000000), wk = 0.0020121 k( 87) = ( 0.3857143 0.2285714 0.0000000), wk = 0.0020121 k( 88) = ( 0.3809524 0.2380952 0.0000000), wk = 0.0020121 k( 89) = ( 0.3761905 0.2476191 0.0000000), wk = 0.0020121 k( 90) = ( 0.3714286 0.2571429 -0.0000000), wk = 0.0020121 k( 91) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0020121 k( 92) = ( 0.3619048 0.2761905 0.0000000), wk = 0.0020121 k( 93) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0020121 k( 94) = ( 0.3523810 0.2952381 -0.0000000), wk = 0.0020121 k( 95) = ( 0.3476190 0.3047619 0.0000000), wk = 0.0020121 k( 96) = ( 0.3428571 0.3142857 -0.0000000), wk = 0.0020121 k( 97) = ( 0.3380952 0.3238095 0.0000000), wk = 0.0020121 k( 98) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0020121 k( 99) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0020121 k( 100) = ( 0.3285714 0.3285714 0.0000000), wk = 0.0020121 k( 101) = ( 0.3238095 0.3238095 0.0000000), wk = 0.0020121 k( 102) = ( 0.3190476 0.3190476 -0.0000000), wk = 0.0020121 k( 103) = ( 0.3142857 0.3142857 -0.0000000), wk = 0.0020121 k( 104) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0020121 k( 105) = ( 0.3047619 0.3047619 -0.0000000), wk = 0.0020121 k( 106) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0020121 k( 107) = ( 0.2952381 0.2952381 0.0000000), wk = 0.0020121 k( 108) = ( 0.2904762 0.2904762 -0.0000000), wk = 0.0020121 k( 109) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0020121 k( 110) = ( 0.2809524 0.2809524 -0.0000000), wk = 0.0020121 k( 111) = ( 0.2761905 0.2761905 0.0000000), wk = 0.0020121 k( 112) = ( 0.2714286 0.2714286 0.0000000), wk = 0.0020121 k( 113) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0020121 k( 114) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0020121 k( 115) = ( 0.2571429 0.2571429 -0.0000000), wk = 0.0020121 k( 116) = ( 0.2523809 0.2523810 0.0000000), wk = 0.0020121 k( 117) = ( 0.2476191 0.2476191 0.0000000), wk = 0.0020121 k( 118) = ( 0.2428571 0.2428571 0.0000000), wk = 0.0020121 k( 119) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0020121 k( 120) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0020121 k( 121) = ( 0.2285714 0.2285714 -0.0000000), wk = 0.0020121 k( 122) = ( 0.2238095 0.2238095 -0.0000000), wk = 0.0020121 k( 123) = ( 0.2190476 0.2190476 0.0000000), wk = 0.0020121 k( 124) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0020121 k( 125) = ( 0.2095238 0.2095238 -0.0000000), wk = 0.0020121 k( 126) = ( 0.2047619 0.2047619 0.0000000), wk = 0.0020121 k( 127) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0020121 k( 128) = ( 0.1952381 0.1952381 0.0000000), wk = 0.0020121 k( 129) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0020121 k( 130) = ( 0.1857143 0.1857143 -0.0000000), wk = 0.0020121 k( 131) = ( 0.1809524 0.1809524 0.0000000), wk = 0.0020121 k( 132) = ( 0.1761905 0.1761905 -0.0000000), wk = 0.0020121 k( 133) = ( 0.1714286 0.1714286 -0.0000000), wk = 0.0020121 k( 134) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0020121 k( 135) = ( 0.1619048 0.1619048 0.0000000), wk = 0.0020121 k( 136) = ( 0.1571429 0.1571429 0.0000000), wk = 0.0020121 k( 137) = ( 0.1523809 0.1523810 -0.0000000), wk = 0.0020121 k( 138) = ( 0.1476191 0.1476191 0.0000000), wk = 0.0020121 k( 139) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0020121 k( 140) = ( 0.1380952 0.1380952 0.0000000), wk = 0.0020121 k( 141) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0020121 k( 142) = ( 0.1285714 0.1285714 -0.0000000), wk = 0.0020121 k( 143) = ( 0.1238095 0.1238095 -0.0000000), wk = 0.0020121 k( 144) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0020121 k( 145) = ( 0.1142857 0.1142857 0.0000000), wk = 0.0020121 k( 146) = ( 0.1095238 0.1095238 0.0000000), wk = 0.0020121 k( 147) = ( 0.1047619 0.1047619 -0.0000000), wk = 0.0020121 k( 148) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0020121 k( 149) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0020121 k( 150) = ( 0.0904762 0.0904762 0.0000000), wk = 0.0020121 k( 151) = ( 0.0857143 0.0857143 -0.0000000), wk = 0.0020121 k( 152) = ( 0.0809524 0.0809524 0.0000000), wk = 0.0020121 k( 153) = ( 0.0761905 0.0761905 -0.0000000), wk = 0.0020121 k( 154) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0020121 k( 155) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0020121 k( 156) = ( 0.0619048 0.0619048 -0.0000000), wk = 0.0020121 k( 157) = ( 0.0571429 0.0571429 -0.0000000), wk = 0.0020121 k( 158) = ( 0.0523810 0.0523810 -0.0000000), wk = 0.0020121 k( 159) = ( 0.0476191 0.0476191 -0.0000000), wk = 0.0020121 k( 160) = ( 0.0428571 0.0428571 -0.0000000), wk = 0.0020121 k( 161) = ( 0.0380952 0.0380952 -0.0000000), wk = 0.0020121 k( 162) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0020121 k( 163) = ( 0.0285714 0.0285714 -0.0000000), wk = 0.0020121 k( 164) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0020121 k( 165) = ( 0.0190476 0.0190476 -0.0000000), wk = 0.0020121 k( 166) = ( 0.0142857 0.0142857 -0.0000000), wk = 0.0020121 k( 167) = ( 0.0095238 0.0095238 -0.0000000), wk = 0.0020121 k( 168) = ( 0.0047619 0.0047619 -0.0000000), wk = 0.0020121 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020121 k( 170) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020121 k( 171) = ( 0.0000000 0.0000000 0.0096154), wk = 0.0020121 k( 172) = ( 0.0000000 0.0000000 0.0192308), wk = 0.0020121 k( 173) = ( 0.0000000 0.0000000 0.0288462), wk = 0.0020121 k( 174) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0020121 k( 175) = ( 0.0000000 0.0000000 0.0480769), wk = 0.0020121 k( 176) = ( 0.0000000 0.0000000 0.0576923), wk = 0.0020121 k( 177) = ( 0.0000000 0.0000000 0.0673077), wk = 0.0020121 k( 178) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0020121 k( 179) = ( 0.0000000 0.0000000 0.0865385), wk = 0.0020121 k( 180) = ( 0.0000000 0.0000000 0.0961539), wk = 0.0020121 k( 181) = ( 0.0000000 0.0000000 0.1057692), wk = 0.0020121 k( 182) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0020121 k( 183) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0020121 k( 184) = ( 0.0000000 0.0000000 0.1346154), wk = 0.0020121 k( 185) = ( 0.0000000 0.0000000 0.1442308), wk = 0.0020121 k( 186) = ( 0.0000000 0.0000000 0.1538462), wk = 0.0020121 k( 187) = ( 0.0000000 0.0000000 0.1634615), wk = 0.0020121 k( 188) = ( 0.0000000 0.0000000 0.1730769), wk = 0.0020121 k( 189) = ( 0.0000000 0.0000000 0.1826923), wk = 0.0020121 k( 190) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0020121 k( 191) = ( 0.0000000 0.0000000 0.2019231), wk = 0.0020121 k( 192) = ( 0.0000000 0.0000000 0.2115385), wk = 0.0020121 k( 193) = ( 0.0000000 0.0000000 0.2211539), wk = 0.0020121 k( 194) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0020121 k( 195) = ( 0.0000000 0.0000000 0.2403846), wk = 0.0020121 k( 196) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0020121 k( 197) = ( 0.0000000 0.0000000 0.2596154), wk = 0.0020121 k( 198) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0020121 k( 199) = ( 0.0000000 0.0000000 0.2788462), wk = 0.0020121 k( 200) = ( 0.0000000 0.0000000 0.2884615), wk = 0.0020121 k( 201) = ( 0.0000000 0.0000000 0.2980769), wk = 0.0020121 k( 202) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0020121 k( 203) = ( 0.0000000 0.0000000 0.3173077), wk = 0.0020121 k( 204) = ( 0.0000000 0.0000000 0.3269231), wk = 0.0020121 k( 205) = ( 0.0000000 0.0000000 0.3365385), wk = 0.0020121 k( 206) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0020121 k( 207) = ( 0.0000000 0.0000000 0.3557692), wk = 0.0020121 k( 208) = ( 0.0000000 0.0000000 0.3653846), wk = 0.0020121 k( 209) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0020121 k( 210) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0020121 k( 211) = ( 0.0000000 0.0000000 0.3942308), wk = 0.0020121 k( 212) = ( 0.0000000 0.0000000 0.4038462), wk = 0.0020121 k( 213) = ( 0.0000000 0.0000000 0.4134615), wk = 0.0020121 k( 214) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0020121 k( 215) = ( 0.0000000 0.0000000 0.4326923), wk = 0.0020121 k( 216) = ( 0.0000000 0.0000000 0.4423077), wk = 0.0020121 k( 217) = ( 0.0000000 0.0000000 0.4519231), wk = 0.0020121 k( 218) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0020121 k( 219) = ( 0.0000000 0.0000000 0.4711539), wk = 0.0020121 k( 220) = ( 0.0000000 0.0000000 0.4807692), wk = 0.0020121 k( 221) = ( 0.0000000 0.0000000 0.4903846), wk = 0.0020121 k( 222) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020121 k( 223) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020121 k( 224) = ( 0.0081967 0.0000000 0.5000000), wk = 0.0020121 k( 225) = ( 0.0163934 0.0000000 0.5000000), wk = 0.0020121 k( 226) = ( 0.0245902 0.0000000 0.5000000), wk = 0.0020121 k( 227) = ( 0.0327869 0.0000000 0.5000000), wk = 0.0020121 k( 228) = ( 0.0409836 0.0000000 0.5000000), wk = 0.0020121 k( 229) = ( 0.0491803 0.0000000 0.5000000), wk = 0.0020121 k( 230) = ( 0.0573770 0.0000000 0.5000000), wk = 0.0020121 k( 231) = ( 0.0655738 0.0000000 0.5000000), wk = 0.0020121 k( 232) = ( 0.0737705 0.0000000 0.5000000), wk = 0.0020121 k( 233) = ( 0.0819672 0.0000000 0.5000000), wk = 0.0020121 k( 234) = ( 0.0901639 0.0000000 0.5000000), wk = 0.0020121 k( 235) = ( 0.0983607 0.0000000 0.5000000), wk = 0.0020121 k( 236) = ( 0.1065574 0.0000000 0.5000000), wk = 0.0020121 k( 237) = ( 0.1147541 0.0000000 0.5000000), wk = 0.0020121 k( 238) = ( 0.1229508 0.0000000 0.5000000), wk = 0.0020121 k( 239) = ( 0.1311475 0.0000000 0.5000000), wk = 0.0020121 k( 240) = ( 0.1393443 0.0000000 0.5000000), wk = 0.0020121 k( 241) = ( 0.1475410 0.0000000 0.5000000), wk = 0.0020121 k( 242) = ( 0.1557377 0.0000000 0.5000000), wk = 0.0020121 k( 243) = ( 0.1639344 0.0000000 0.5000000), wk = 0.0020121 k( 244) = ( 0.1721312 0.0000000 0.5000000), wk = 0.0020121 k( 245) = ( 0.1803279 0.0000000 0.5000000), wk = 0.0020121 k( 246) = ( 0.1885246 0.0000000 0.5000000), wk = 0.0020121 k( 247) = ( 0.1967213 0.0000000 0.5000000), wk = 0.0020121 k( 248) = ( 0.2049180 0.0000000 0.5000000), wk = 0.0020121 k( 249) = ( 0.2131147 0.0000000 0.5000000), wk = 0.0020121 k( 250) = ( 0.2213115 0.0000000 0.5000000), wk = 0.0020121 k( 251) = ( 0.2295082 0.0000000 0.5000000), wk = 0.0020121 k( 252) = ( 0.2377049 0.0000000 0.5000000), wk = 0.0020121 k( 253) = ( 0.2459016 0.0000000 0.5000000), wk = 0.0020121 k( 254) = ( 0.2540984 0.0000000 0.5000000), wk = 0.0020121 k( 255) = ( 0.2622951 0.0000000 0.5000000), wk = 0.0020121 k( 256) = ( 0.2704918 0.0000000 0.5000000), wk = 0.0020121 k( 257) = ( 0.2786885 0.0000000 0.5000000), wk = 0.0020121 k( 258) = ( 0.2868852 0.0000000 0.5000000), wk = 0.0020121 k( 259) = ( 0.2950820 0.0000000 0.5000000), wk = 0.0020121 k( 260) = ( 0.3032787 0.0000000 0.5000000), wk = 0.0020121 k( 261) = ( 0.3114754 0.0000000 0.5000000), wk = 0.0020121 k( 262) = ( 0.3196721 0.0000000 0.5000000), wk = 0.0020121 k( 263) = ( 0.3278688 0.0000000 0.5000000), wk = 0.0020121 k( 264) = ( 0.3360656 0.0000000 0.5000000), wk = 0.0020121 k( 265) = ( 0.3442623 0.0000000 0.5000000), wk = 0.0020121 k( 266) = ( 0.3524590 0.0000000 0.5000000), wk = 0.0020121 k( 267) = ( 0.3606557 0.0000000 0.5000000), wk = 0.0020121 k( 268) = ( 0.3688525 0.0000000 0.5000000), wk = 0.0020121 k( 269) = ( 0.3770492 0.0000000 0.5000000), wk = 0.0020121 k( 270) = ( 0.3852459 0.0000000 0.5000000), wk = 0.0020121 k( 271) = ( 0.3934426 0.0000000 0.5000000), wk = 0.0020121 k( 272) = ( 0.4016393 0.0000000 0.5000000), wk = 0.0020121 k( 273) = ( 0.4098361 0.0000000 0.5000000), wk = 0.0020121 k( 274) = ( 0.4180328 0.0000000 0.5000000), wk = 0.0020121 k( 275) = ( 0.4262295 0.0000000 0.5000000), wk = 0.0020121 k( 276) = ( 0.4344262 0.0000000 0.5000000), wk = 0.0020121 k( 277) = ( 0.4426230 0.0000000 0.5000000), wk = 0.0020121 k( 278) = ( 0.4508197 0.0000000 0.5000000), wk = 0.0020121 k( 279) = ( 0.4590164 0.0000000 0.5000000), wk = 0.0020121 k( 280) = ( 0.4672131 0.0000000 0.5000000), wk = 0.0020121 k( 281) = ( 0.4754098 0.0000000 0.5000000), wk = 0.0020121 k( 282) = ( 0.4836066 0.0000000 0.5000000), wk = 0.0020121 k( 283) = ( 0.4918033 0.0000000 0.5000000), wk = 0.0020121 k( 284) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020121 k( 285) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020121 k( 286) = ( 0.4952381 0.0095238 0.5000000), wk = 0.0020121 k( 287) = ( 0.4904762 0.0190476 0.5000000), wk = 0.0020121 k( 288) = ( 0.4857143 0.0285714 0.5000000), wk = 0.0020121 k( 289) = ( 0.4809524 0.0380952 0.5000000), wk = 0.0020121 k( 290) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0020121 k( 291) = ( 0.4714286 0.0571429 0.5000000), wk = 0.0020121 k( 292) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0020121 k( 293) = ( 0.4619048 0.0761905 0.5000000), wk = 0.0020121 k( 294) = ( 0.4571429 0.0857143 0.5000000), wk = 0.0020121 k( 295) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0020121 k( 296) = ( 0.4476191 0.1047619 0.5000000), wk = 0.0020121 k( 297) = ( 0.4428571 0.1142857 0.5000000), wk = 0.0020121 k( 298) = ( 0.4380952 0.1238095 0.5000000), wk = 0.0020121 k( 299) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0020121 k( 300) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0020121 k( 301) = ( 0.4238095 0.1523810 0.5000000), wk = 0.0020121 k( 302) = ( 0.4190476 0.1619048 0.5000000), wk = 0.0020121 k( 303) = ( 0.4142857 0.1714286 0.5000000), wk = 0.0020121 k( 304) = ( 0.4095238 0.1809524 0.5000000), wk = 0.0020121 k( 305) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0020121 k( 306) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0020121 k( 307) = ( 0.3952381 0.2095238 0.5000000), wk = 0.0020121 k( 308) = ( 0.3904762 0.2190476 0.5000000), wk = 0.0020121 k( 309) = ( 0.3857143 0.2285714 0.5000000), wk = 0.0020121 k( 310) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0020121 k( 311) = ( 0.3761905 0.2476191 0.5000000), wk = 0.0020121 k( 312) = ( 0.3714286 0.2571429 0.5000000), wk = 0.0020121 k( 313) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0020121 k( 314) = ( 0.3619048 0.2761905 0.5000000), wk = 0.0020121 k( 315) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0020121 k( 316) = ( 0.3523810 0.2952381 0.5000000), wk = 0.0020121 k( 317) = ( 0.3476190 0.3047619 0.5000000), wk = 0.0020121 k( 318) = ( 0.3428571 0.3142857 0.5000000), wk = 0.0020121 k( 319) = ( 0.3380952 0.3238095 0.5000000), wk = 0.0020121 k( 320) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020121 k( 321) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020121 k( 322) = ( 0.3285714 0.3285714 0.5000000), wk = 0.0020121 k( 323) = ( 0.3238095 0.3238095 0.5000000), wk = 0.0020121 k( 324) = ( 0.3190476 0.3190476 0.5000000), wk = 0.0020121 k( 325) = ( 0.3142857 0.3142857 0.5000000), wk = 0.0020121 k( 326) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0020121 k( 327) = ( 0.3047619 0.3047619 0.5000000), wk = 0.0020121 k( 328) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0020121 k( 329) = ( 0.2952381 0.2952381 0.5000000), wk = 0.0020121 k( 330) = ( 0.2904762 0.2904762 0.5000000), wk = 0.0020121 k( 331) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0020121 k( 332) = ( 0.2809524 0.2809524 0.5000000), wk = 0.0020121 k( 333) = ( 0.2761905 0.2761905 0.5000000), wk = 0.0020121 k( 334) = ( 0.2714286 0.2714286 0.5000000), wk = 0.0020121 k( 335) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0020121 k( 336) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0020121 k( 337) = ( 0.2571429 0.2571429 0.5000000), wk = 0.0020121 k( 338) = ( 0.2523809 0.2523810 0.5000000), wk = 0.0020121 k( 339) = ( 0.2476191 0.2476191 0.5000000), wk = 0.0020121 k( 340) = ( 0.2428571 0.2428571 0.5000000), wk = 0.0020121 k( 341) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0020121 k( 342) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0020121 k( 343) = ( 0.2285714 0.2285714 0.5000000), wk = 0.0020121 k( 344) = ( 0.2238095 0.2238095 0.5000000), wk = 0.0020121 k( 345) = ( 0.2190476 0.2190476 0.5000000), wk = 0.0020121 k( 346) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0020121 k( 347) = ( 0.2095238 0.2095238 0.5000000), wk = 0.0020121 k( 348) = ( 0.2047619 0.2047619 0.5000000), wk = 0.0020121 k( 349) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0020121 k( 350) = ( 0.1952381 0.1952381 0.5000000), wk = 0.0020121 k( 351) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0020121 k( 352) = ( 0.1857143 0.1857143 0.5000000), wk = 0.0020121 k( 353) = ( 0.1809524 0.1809524 0.5000000), wk = 0.0020121 k( 354) = ( 0.1761905 0.1761905 0.5000000), wk = 0.0020121 k( 355) = ( 0.1714286 0.1714286 0.5000000), wk = 0.0020121 k( 356) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0020121 k( 357) = ( 0.1619048 0.1619048 0.5000000), wk = 0.0020121 k( 358) = ( 0.1571429 0.1571429 0.5000000), wk = 0.0020121 k( 359) = ( 0.1523809 0.1523810 0.5000000), wk = 0.0020121 k( 360) = ( 0.1476191 0.1476191 0.5000000), wk = 0.0020121 k( 361) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0020121 k( 362) = ( 0.1380952 0.1380952 0.5000000), wk = 0.0020121 k( 363) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0020121 k( 364) = ( 0.1285714 0.1285714 0.5000000), wk = 0.0020121 k( 365) = ( 0.1238095 0.1238095 0.5000000), wk = 0.0020121 k( 366) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0020121 k( 367) = ( 0.1142857 0.1142857 0.5000000), wk = 0.0020121 k( 368) = ( 0.1095238 0.1095238 0.5000000), wk = 0.0020121 k( 369) = ( 0.1047619 0.1047619 0.5000000), wk = 0.0020121 k( 370) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0020121 k( 371) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0020121 k( 372) = ( 0.0904762 0.0904762 0.5000000), wk = 0.0020121 k( 373) = ( 0.0857143 0.0857143 0.5000000), wk = 0.0020121 k( 374) = ( 0.0809524 0.0809524 0.5000000), wk = 0.0020121 k( 375) = ( 0.0761905 0.0761905 0.5000000), wk = 0.0020121 k( 376) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0020121 k( 377) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0020121 k( 378) = ( 0.0619048 0.0619048 0.5000000), wk = 0.0020121 k( 379) = ( 0.0571429 0.0571429 0.5000000), wk = 0.0020121 k( 380) = ( 0.0523810 0.0523810 0.5000000), wk = 0.0020121 k( 381) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0020121 k( 382) = ( 0.0428571 0.0428571 0.5000000), wk = 0.0020121 k( 383) = ( 0.0380952 0.0380952 0.5000000), wk = 0.0020121 k( 384) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0020121 k( 385) = ( 0.0285714 0.0285714 0.5000000), wk = 0.0020121 k( 386) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0020121 k( 387) = ( 0.0190476 0.0190476 0.5000000), wk = 0.0020121 k( 388) = ( 0.0142857 0.0142857 0.5000000), wk = 0.0020121 k( 389) = ( 0.0095238 0.0095238 0.5000000), wk = 0.0020121 k( 390) = ( 0.0047619 0.0047619 0.5000000), wk = 0.0020121 k( 391) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020121 k( 392) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020121 k( 393) = ( 0.5000000 0.0000000 0.4903846), wk = 0.0020121 k( 394) = ( 0.5000000 0.0000000 0.4807692), wk = 0.0020121 k( 395) = ( 0.5000000 0.0000000 0.4711539), wk = 0.0020121 k( 396) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0020121 k( 397) = ( 0.5000000 0.0000000 0.4519231), wk = 0.0020121 k( 398) = ( 0.5000000 0.0000000 0.4423077), wk = 0.0020121 k( 399) = ( 0.5000000 0.0000000 0.4326923), wk = 0.0020121 k( 400) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0020121 k( 401) = ( 0.5000000 0.0000000 0.4134615), wk = 0.0020121 k( 402) = ( 0.5000000 0.0000000 0.4038462), wk = 0.0020121 k( 403) = ( 0.5000000 0.0000000 0.3942308), wk = 0.0020121 k( 404) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0020121 k( 405) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0020121 k( 406) = ( 0.5000000 0.0000000 0.3653846), wk = 0.0020121 k( 407) = ( 0.5000000 0.0000000 0.3557692), wk = 0.0020121 k( 408) = ( 0.5000000 0.0000000 0.3461538), wk = 0.0020121 k( 409) = ( 0.5000000 0.0000000 0.3365385), wk = 0.0020121 k( 410) = ( 0.5000000 0.0000000 0.3269231), wk = 0.0020121 k( 411) = ( 0.5000000 0.0000000 0.3173077), wk = 0.0020121 k( 412) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0020121 k( 413) = ( 0.5000000 0.0000000 0.2980769), wk = 0.0020121 k( 414) = ( 0.5000000 0.0000000 0.2884615), wk = 0.0020121 k( 415) = ( 0.5000000 0.0000000 0.2788462), wk = 0.0020121 k( 416) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0020121 k( 417) = ( 0.5000000 0.0000000 0.2596154), wk = 0.0020121 k( 418) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0020121 k( 419) = ( 0.5000000 0.0000000 0.2403846), wk = 0.0020121 k( 420) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0020121 k( 421) = ( 0.5000000 0.0000000 0.2211539), wk = 0.0020121 k( 422) = ( 0.5000000 0.0000000 0.2115385), wk = 0.0020121 k( 423) = ( 0.5000000 0.0000000 0.2019231), wk = 0.0020121 k( 424) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0020121 k( 425) = ( 0.5000000 0.0000000 0.1826923), wk = 0.0020121 k( 426) = ( 0.5000000 0.0000000 0.1730769), wk = 0.0020121 k( 427) = ( 0.5000000 0.0000000 0.1634615), wk = 0.0020121 k( 428) = ( 0.5000000 0.0000000 0.1538461), wk = 0.0020121 k( 429) = ( 0.5000000 0.0000000 0.1442308), wk = 0.0020121 k( 430) = ( 0.5000000 0.0000000 0.1346154), wk = 0.0020121 k( 431) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0020121 k( 432) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0020121 k( 433) = ( 0.5000000 0.0000000 0.1057692), wk = 0.0020121 k( 434) = ( 0.5000000 0.0000000 0.0961539), wk = 0.0020121 k( 435) = ( 0.5000000 0.0000000 0.0865385), wk = 0.0020121 k( 436) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0020121 k( 437) = ( 0.5000000 0.0000000 0.0673077), wk = 0.0020121 k( 438) = ( 0.5000000 0.0000000 0.0576923), wk = 0.0020121 k( 439) = ( 0.5000000 0.0000000 0.0480769), wk = 0.0020121 k( 440) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0020121 k( 441) = ( 0.5000000 0.0000000 0.0288462), wk = 0.0020121 k( 442) = ( 0.5000000 0.0000000 0.0192308), wk = 0.0020121 k( 443) = ( 0.5000000 0.0000000 0.0096154), wk = 0.0020121 k( 444) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0020121 k( 445) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0020121 k( 446) = ( 0.3333333 0.3333333 0.0096154), wk = 0.0020121 k( 447) = ( 0.3333333 0.3333333 0.0192308), wk = 0.0020121 k( 448) = ( 0.3333333 0.3333333 0.0288462), wk = 0.0020121 k( 449) = ( 0.3333333 0.3333333 0.0384615), wk = 0.0020121 k( 450) = ( 0.3333333 0.3333333 0.0480769), wk = 0.0020121 k( 451) = ( 0.3333333 0.3333333 0.0576923), wk = 0.0020121 k( 452) = ( 0.3333333 0.3333333 0.0673077), wk = 0.0020121 k( 453) = ( 0.3333333 0.3333333 0.0769231), wk = 0.0020121 k( 454) = ( 0.3333333 0.3333333 0.0865385), wk = 0.0020121 k( 455) = ( 0.3333333 0.3333333 0.0961538), wk = 0.0020121 k( 456) = ( 0.3333333 0.3333333 0.1057692), wk = 0.0020121 k( 457) = ( 0.3333333 0.3333333 0.1153846), wk = 0.0020121 k( 458) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0020121 k( 459) = ( 0.3333333 0.3333333 0.1346154), wk = 0.0020121 k( 460) = ( 0.3333333 0.3333333 0.1442308), wk = 0.0020121 k( 461) = ( 0.3333333 0.3333333 0.1538462), wk = 0.0020121 k( 462) = ( 0.3333333 0.3333333 0.1634615), wk = 0.0020121 k( 463) = ( 0.3333333 0.3333333 0.1730769), wk = 0.0020121 k( 464) = ( 0.3333333 0.3333333 0.1826923), wk = 0.0020121 k( 465) = ( 0.3333333 0.3333333 0.1923077), wk = 0.0020121 k( 466) = ( 0.3333333 0.3333333 0.2019231), wk = 0.0020121 k( 467) = ( 0.3333333 0.3333333 0.2115385), wk = 0.0020121 k( 468) = ( 0.3333333 0.3333333 0.2211539), wk = 0.0020121 k( 469) = ( 0.3333333 0.3333333 0.2307692), wk = 0.0020121 k( 470) = ( 0.3333333 0.3333333 0.2403846), wk = 0.0020121 k( 471) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0020121 k( 472) = ( 0.3333333 0.3333333 0.2596154), wk = 0.0020121 k( 473) = ( 0.3333333 0.3333333 0.2692308), wk = 0.0020121 k( 474) = ( 0.3333333 0.3333333 0.2788462), wk = 0.0020121 k( 475) = ( 0.3333333 0.3333333 0.2884615), wk = 0.0020121 k( 476) = ( 0.3333333 0.3333333 0.2980769), wk = 0.0020121 k( 477) = ( 0.3333333 0.3333333 0.3076923), wk = 0.0020121 k( 478) = ( 0.3333333 0.3333333 0.3173077), wk = 0.0020121 k( 479) = ( 0.3333333 0.3333333 0.3269231), wk = 0.0020121 k( 480) = ( 0.3333333 0.3333333 0.3365385), wk = 0.0020121 k( 481) = ( 0.3333333 0.3333333 0.3461539), wk = 0.0020121 k( 482) = ( 0.3333333 0.3333333 0.3557692), wk = 0.0020121 k( 483) = ( 0.3333333 0.3333333 0.3653846), wk = 0.0020121 k( 484) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0020121 k( 485) = ( 0.3333333 0.3333333 0.3846154), wk = 0.0020121 k( 486) = ( 0.3333333 0.3333333 0.3942308), wk = 0.0020121 k( 487) = ( 0.3333333 0.3333333 0.4038462), wk = 0.0020121 k( 488) = ( 0.3333333 0.3333333 0.4134615), wk = 0.0020121 k( 489) = ( 0.3333333 0.3333333 0.4230769), wk = 0.0020121 k( 490) = ( 0.3333333 0.3333333 0.4326923), wk = 0.0020121 k( 491) = ( 0.3333333 0.3333333 0.4423077), wk = 0.0020121 k( 492) = ( 0.3333333 0.3333333 0.4519231), wk = 0.0020121 k( 493) = ( 0.3333333 0.3333333 0.4615385), wk = 0.0020121 k( 494) = ( 0.3333333 0.3333333 0.4711538), wk = 0.0020121 k( 495) = ( 0.3333333 0.3333333 0.4807692), wk = 0.0020121 k( 496) = ( 0.3333333 0.3333333 0.4903846), wk = 0.0020121 k( 497) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020121 Dense grid: 19889 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 9261 G-vectors FFT dimensions: ( 27, 27, 27) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 72, 28) NL pseudopotentials 0.03 Mb ( 36, 62) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 553) G-vector shells 0.00 Mb ( 244) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.12 Mb ( 72, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.05 Mb ( 62, 2, 28) The potential is recalculated from file : ./B2W.save/charge-density.dat Starting wfc are 42 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 1.8 secs Computing kpt #: 4 total cpu time spent up to now is 2.0 secs Computing kpt #: 5 total cpu time spent up to now is 2.0 secs Computing kpt #: 6 total cpu time spent up to now is 2.2 secs Computing kpt #: 7 total cpu time spent up to now is 2.3 secs Computing kpt #: 8 total cpu time spent up to now is 2.4 secs Computing kpt #: 9 total cpu time spent up to now is 2.5 secs Computing kpt #: 10 total cpu time spent up to now is 2.6 secs Computing kpt #: 11 total cpu time spent up to now is 2.7 secs Computing kpt #: 12 total cpu time spent up to now is 2.8 secs Computing kpt #: 13 total cpu time spent up to now is 2.9 secs Computing kpt #: 14 total cpu time spent up to now is 3.1 secs Computing kpt #: 15 total cpu time spent up to now is 3.2 secs Computing kpt #: 16 total cpu time spent up to now is 3.3 secs Computing kpt #: 17 total cpu time spent up to now is 3.4 secs Computing kpt #: 18 total cpu time spent up to now is 3.5 secs Computing kpt #: 19 total cpu time spent up to now is 3.6 secs Computing kpt #: 20 total cpu time spent up to now is 3.8 secs Computing kpt #: 21 total cpu time spent up to now is 3.9 secs Computing kpt #: 22 total cpu time spent up to now is 4.0 secs Computing kpt #: 23 total cpu time spent up to now is 4.1 secs Computing kpt #: 24 total cpu time spent up to now is 4.3 secs Computing kpt #: 25 total cpu time spent up to now is 4.4 secs Computing kpt #: 26 total cpu time spent up to now is 4.5 secs Computing kpt #: 27 total cpu time spent up to now is 4.7 secs Computing kpt #: 28 total cpu time spent up to now is 4.8 secs Computing kpt #: 29 total cpu time spent up to now is 5.0 secs Computing kpt #: 30 total cpu time spent up to now is 5.1 secs Computing kpt #: 31 total cpu time spent up to now is 5.2 secs Computing kpt #: 32 total cpu time spent up to now is 5.4 secs Computing kpt #: 33 total cpu time spent up to now is 5.5 secs Computing kpt #: 34 total cpu time spent up to now is 5.6 secs Computing kpt #: 35 total cpu time spent up to now is 5.7 secs Computing kpt #: 36 total cpu time spent up to now is 5.8 secs Computing kpt #: 37 total cpu time spent up to now is 5.9 secs Computing kpt #: 38 total cpu time spent up to now is 6.0 secs Computing kpt #: 39 total cpu time spent up to now is 6.1 secs Computing kpt #: 40 total cpu time spent up to now is 6.2 secs Computing kpt #: 41 total cpu time spent up to now is 6.3 secs Computing kpt #: 42 total cpu time spent up to now is 6.4 secs Computing kpt #: 43 total cpu time spent up to now is 6.5 secs Computing kpt #: 44 total cpu time spent up to now is 6.6 secs Computing kpt #: 45 total cpu time spent up to now is 6.6 secs Computing kpt #: 46 total cpu time spent up to now is 6.7 secs Computing kpt #: 47 total cpu time spent up to now is 6.8 secs Computing kpt #: 48 total cpu time spent up to now is 6.9 secs Computing kpt #: 49 total cpu time spent up to now is 7.0 secs Computing kpt #: 50 total cpu time spent up to now is 7.1 secs Computing kpt #: 51 total cpu time spent up to now is 7.2 secs Computing kpt #: 52 total cpu time spent up to now is 7.3 secs Computing kpt #: 53 total cpu time spent up to now is 7.4 secs Computing kpt #: 54 total cpu time spent up to now is 7.5 secs Computing kpt #: 55 total cpu time spent up to now is 7.6 secs Computing kpt #: 56 total cpu time spent up to now is 7.7 secs Computing kpt #: 57 total cpu time spent up to now is 7.8 secs Computing kpt #: 58 total cpu time spent up to now is 7.8 secs Computing kpt #: 59 total cpu time spent up to now is 7.9 secs Computing kpt #: 60 total cpu time spent up to now is 8.0 secs Computing kpt #: 61 total cpu time spent up to now is 8.1 secs Computing kpt #: 62 total cpu time spent up to now is 8.2 secs Computing kpt #: 63 total cpu time spent up to now is 8.3 secs Computing kpt #: 64 total cpu time spent up to now is 8.4 secs Computing kpt #: 65 total cpu time spent up to now is 8.5 secs Computing kpt #: 66 total cpu time spent up to now is 8.6 secs Computing kpt #: 67 total cpu time spent up to now is 8.7 secs Computing kpt #: 68 total cpu time spent up to now is 8.8 secs Computing kpt #: 69 total cpu time spent up to now is 8.9 secs Computing kpt #: 70 total cpu time spent up to now is 9.0 secs Computing kpt #: 71 total cpu time spent up to now is 9.1 secs Computing kpt #: 72 total cpu time spent up to now is 9.1 secs Computing kpt #: 73 total cpu time spent up to now is 9.2 secs Computing kpt #: 74 total cpu time spent up to now is 9.3 secs Computing kpt #: 75 total cpu time spent up to now is 9.4 secs Computing kpt #: 76 total cpu time spent up to now is 9.5 secs Computing kpt #: 77 total cpu time spent up to now is 9.6 secs Computing kpt #: 78 total cpu time spent up to now is 9.7 secs Computing kpt #: 79 total cpu time spent up to now is 9.8 secs Computing kpt #: 80 total cpu time spent up to now is 9.9 secs Computing kpt #: 81 total cpu time spent up to now is 10.0 secs Computing kpt #: 82 total cpu time spent up to now is 10.1 secs Computing kpt #: 83 total cpu time spent up to now is 10.3 secs Computing kpt #: 84 total cpu time spent up to now is 10.4 secs Computing kpt #: 85 total cpu time spent up to now is 10.6 secs Computing kpt #: 86 total cpu time spent up to now is 10.7 secs Computing kpt #: 87 total cpu time spent up to now is 10.9 secs Computing kpt #: 88 total cpu time spent up to now is 11.0 secs Computing kpt #: 89 total cpu time spent up to now is 11.0 secs Computing kpt #: 90 total cpu time spent up to now is 11.1 secs Computing kpt #: 91 total cpu time spent up to now is 11.2 secs Computing kpt #: 92 total cpu time spent up to now is 11.3 secs Computing kpt #: 93 total cpu time spent up to now is 11.4 secs Computing kpt #: 94 total cpu time spent up to now is 11.5 secs Computing kpt #: 95 total cpu time spent up to now is 11.5 secs Computing kpt #: 96 total cpu time spent up to now is 11.6 secs Computing kpt #: 97 total cpu time spent up to now is 11.7 secs Computing kpt #: 98 total cpu time spent up to now is 11.8 secs Computing kpt #: 99 total cpu time spent up to now is 11.9 secs Computing kpt #: 100 total cpu time spent up to now is 11.9 secs Computing kpt #: 101 total cpu time spent up to now is 12.0 secs Computing kpt #: 102 total cpu time spent up to now is 12.1 secs Computing kpt #: 103 total cpu time spent up to now is 12.2 secs Computing kpt #: 104 total cpu time spent up to now is 12.3 secs Computing kpt #: 105 total cpu time spent up to now is 12.4 secs Computing kpt #: 106 total cpu time spent up to now is 12.4 secs Computing kpt #: 107 total cpu time spent up to now is 12.5 secs Computing kpt #: 108 total cpu time spent up to now is 12.6 secs Computing kpt #: 109 total cpu time spent up to now is 12.7 secs Computing kpt #: 110 total cpu time spent up to now is 12.8 secs Computing kpt #: 111 total cpu time spent up to now is 12.9 secs Computing kpt #: 112 total cpu time spent up to now is 12.9 secs Computing kpt #: 113 total cpu time spent up to now is 13.0 secs Computing kpt #: 114 total cpu time spent up to now is 13.1 secs Computing kpt #: 115 total cpu time spent up to now is 13.2 secs Computing kpt #: 116 total cpu time spent up to now is 13.3 secs Computing kpt #: 117 total cpu time spent up to now is 13.4 secs Computing kpt #: 118 total cpu time spent up to now is 13.5 secs Computing kpt #: 119 total cpu time spent up to now is 13.5 secs Computing kpt #: 120 total cpu time spent up to now is 13.6 secs Computing kpt #: 121 total cpu time spent up to now is 13.7 secs Computing kpt #: 122 total cpu time spent up to now is 13.8 secs Computing kpt #: 123 total cpu time spent up to now is 13.9 secs Computing kpt #: 124 total cpu time spent up to now is 14.0 secs Computing kpt #: 125 total cpu time spent up to now is 14.0 secs Computing kpt #: 126 total cpu time spent up to now is 14.1 secs Computing kpt #: 127 total cpu time spent up to now is 14.2 secs Computing kpt #: 128 total cpu time spent up to now is 14.3 secs Computing kpt #: 129 total cpu time spent up to now is 14.4 secs Computing kpt #: 130 total cpu time spent up to now is 14.4 secs Computing kpt #: 131 total cpu time spent up to now is 14.5 secs Computing kpt #: 132 total cpu time spent up to now is 14.6 secs Computing kpt #: 133 total cpu time spent up to now is 14.7 secs Computing kpt #: 134 total cpu time spent up to now is 14.8 secs Computing kpt #: 135 total cpu time spent up to now is 16.7 secs Computing kpt #: 136 total cpu time spent up to now is 16.8 secs Computing kpt #: 137 total cpu time spent up to now is 16.9 secs Computing kpt #: 138 total cpu time spent up to now is 17.0 secs Computing kpt #: 139 total cpu time spent up to now is 17.0 secs Computing kpt #: 140 total cpu time spent up to now is 17.1 secs Computing kpt #: 141 total cpu time spent up to now is 17.2 secs Computing kpt #: 142 total cpu time spent up to now is 17.3 secs Computing kpt #: 143 total cpu time spent up to now is 17.4 secs Computing kpt #: 144 total cpu time spent up to now is 17.5 secs Computing kpt #: 145 total cpu time spent up to now is 17.7 secs Computing kpt #: 146 total cpu time spent up to now is 17.8 secs Computing kpt #: 147 total cpu time spent up to now is 17.9 secs Computing kpt #: 148 total cpu time spent up to now is 18.1 secs Computing kpt #: 149 total cpu time spent up to now is 18.2 secs Computing kpt #: 150 total cpu time spent up to now is 18.3 secs Computing kpt #: 151 total cpu time spent up to now is 18.5 secs Computing kpt #: 152 total cpu time spent up to now is 18.6 secs Computing kpt #: 153 total cpu time spent up to now is 18.7 secs Computing kpt #: 154 total cpu time spent up to now is 18.8 secs Computing kpt #: 155 total cpu time spent up to now is 19.0 secs Computing kpt #: 156 total cpu time spent up to now is 19.1 secs Computing kpt #: 157 total cpu time spent up to now is 19.2 secs Computing kpt #: 158 total cpu time spent up to now is 19.3 secs Computing kpt #: 159 total cpu time spent up to now is 19.4 secs Computing kpt #: 160 total cpu time spent up to now is 19.5 secs Computing kpt #: 161 total cpu time spent up to now is 19.6 secs Computing kpt #: 162 total cpu time spent up to now is 19.7 secs Computing kpt #: 163 total cpu time spent up to now is 19.8 secs Computing kpt #: 164 total cpu time spent up to now is 19.9 secs Computing kpt #: 165 total cpu time spent up to now is 20.0 secs Computing kpt #: 166 total cpu time spent up to now is 20.2 secs Computing kpt #: 167 total cpu time spent up to now is 20.2 secs Computing kpt #: 168 total cpu time spent up to now is 20.3 secs Computing kpt #: 169 total cpu time spent up to now is 20.4 secs Computing kpt #: 170 total cpu time spent up to now is 20.5 secs Computing kpt #: 171 total cpu time spent up to now is 20.6 secs Computing kpt #: 172 total cpu time spent up to now is 20.7 secs Computing kpt #: 173 total cpu time spent up to now is 20.8 secs Computing kpt #: 174 total cpu time spent up to now is 20.9 secs Computing kpt #: 175 total cpu time spent up to now is 21.0 secs Computing kpt #: 176 total cpu time spent up to now is 21.1 secs Computing kpt #: 177 total cpu time spent up to now is 21.2 secs Computing kpt #: 178 total cpu time spent up to now is 21.3 secs Computing kpt #: 179 total cpu time spent up to now is 21.4 secs Computing kpt #: 180 total cpu time spent up to now is 21.5 secs Computing kpt #: 181 total cpu time spent up to now is 21.5 secs Computing kpt #: 182 total cpu time spent up to now is 21.6 secs Computing kpt #: 183 total cpu time spent up to now is 21.7 secs Computing kpt #: 184 total cpu time spent up to now is 21.8 secs Computing kpt #: 185 total cpu time spent up to now is 21.9 secs Computing kpt #: 186 total cpu time spent up to now is 21.9 secs Computing kpt #: 187 total cpu time spent up to now is 22.0 secs Computing kpt #: 188 total cpu time spent up to now is 22.1 secs Computing kpt #: 189 total cpu time spent up to now is 22.2 secs Computing kpt #: 190 total cpu time spent up to now is 22.3 secs Computing kpt #: 191 total cpu time spent up to now is 22.3 secs Computing kpt #: 192 total cpu time spent up to now is 22.4 secs Computing kpt #: 193 total cpu time spent up to now is 22.5 secs Computing kpt #: 194 total cpu time spent up to now is 22.6 secs Computing kpt #: 195 total cpu time spent up to now is 22.7 secs Computing kpt #: 196 total cpu time spent up to now is 22.7 secs Computing kpt #: 197 total cpu time spent up to now is 22.8 secs Computing kpt #: 198 total cpu time spent up to now is 22.9 secs Computing kpt #: 199 total cpu time spent up to now is 23.0 secs Computing kpt #: 200 total cpu time spent up to now is 23.1 secs Computing kpt #: 201 total cpu time spent up to now is 23.1 secs Computing kpt #: 202 total cpu time spent up to now is 23.2 secs Computing kpt #: 203 total cpu time spent up to now is 23.3 secs Computing kpt #: 204 total cpu time spent up to now is 23.4 secs Computing kpt #: 205 total cpu time spent up to now is 23.5 secs Computing kpt #: 206 total cpu time spent up to now is 23.6 secs Computing kpt #: 207 total cpu time spent up to now is 23.6 secs Computing kpt #: 208 total cpu time spent up to now is 23.7 secs Computing kpt #: 209 total cpu time spent up to now is 23.8 secs Computing kpt #: 210 total cpu time spent up to now is 23.9 secs Computing kpt #: 211 total cpu time spent up to now is 23.9 secs Computing kpt #: 212 total cpu time spent up to now is 24.0 secs Computing kpt #: 213 total cpu time spent up to now is 24.1 secs Computing kpt #: 214 total cpu time spent up to now is 24.2 secs Computing kpt #: 215 total cpu time spent up to now is 24.2 secs Computing kpt #: 216 total cpu time spent up to now is 24.3 secs Computing kpt #: 217 total cpu time spent up to now is 24.4 secs Computing kpt #: 218 total cpu time spent up to now is 24.5 secs Computing kpt #: 219 total cpu time spent up to now is 24.5 secs Computing kpt #: 220 total cpu time spent up to now is 24.6 secs Computing kpt #: 221 total cpu time spent up to now is 24.7 secs Computing kpt #: 222 total cpu time spent up to now is 24.8 secs Computing kpt #: 223 total cpu time spent up to now is 24.8 secs Computing kpt #: 224 total cpu time spent up to now is 24.9 secs Computing kpt #: 225 total cpu time spent up to now is 25.0 secs Computing kpt #: 226 total cpu time spent up to now is 25.0 secs Computing kpt #: 227 total cpu time spent up to now is 25.1 secs Computing kpt #: 228 total cpu time spent up to now is 25.2 secs Computing kpt #: 229 total cpu time spent up to now is 25.2 secs Computing kpt #: 230 total cpu time spent up to now is 25.3 secs Computing kpt #: 231 total cpu time spent up to now is 25.4 secs Computing kpt #: 232 total cpu time spent up to now is 25.5 secs Computing kpt #: 233 total cpu time spent up to now is 25.5 secs Computing kpt #: 234 total cpu time spent up to now is 25.6 secs Computing kpt #: 235 total cpu time spent up to now is 25.7 secs Computing kpt #: 236 total cpu time spent up to now is 25.7 secs Computing kpt #: 237 total cpu time spent up to now is 25.8 secs Computing kpt #: 238 total cpu time spent up to now is 25.9 secs Computing kpt #: 239 total cpu time spent up to now is 26.0 secs Computing kpt #: 240 total cpu time spent up to now is 26.0 secs Computing kpt #: 241 total cpu time spent up to now is 26.1 secs Computing kpt #: 242 total cpu time spent up to now is 26.2 secs Computing kpt #: 243 total cpu time spent up to now is 26.3 secs Computing kpt #: 244 total cpu time spent up to now is 26.3 secs Computing kpt #: 245 total cpu time spent up to now is 26.4 secs Computing kpt #: 246 total cpu time spent up to now is 26.5 secs Computing kpt #: 247 total cpu time spent up to now is 26.6 secs Computing kpt #: 248 total cpu time spent up to now is 26.7 secs Computing kpt #: 249 total cpu time spent up to now is 26.7 secs Computing kpt #: 250 total cpu time spent up to now is 26.8 secs Computing kpt #: 251 total cpu time spent up to now is 26.9 secs Computing kpt #: 252 total cpu time spent up to now is 27.0 secs Computing kpt #: 253 total cpu time spent up to now is 27.0 secs Computing kpt #: 254 total cpu time spent up to now is 27.1 secs Computing kpt #: 255 total cpu time spent up to now is 27.2 secs Computing kpt #: 256 total cpu time spent up to now is 27.3 secs Computing kpt #: 257 total cpu time spent up to now is 27.4 secs Computing kpt #: 258 total cpu time spent up to now is 27.5 secs Computing kpt #: 259 total cpu time spent up to now is 27.6 secs Computing kpt #: 260 total cpu time spent up to now is 27.7 secs Computing kpt #: 261 total cpu time spent up to now is 27.8 secs Computing kpt #: 262 total cpu time spent up to now is 27.9 secs Computing kpt #: 263 total cpu time spent up to now is 28.0 secs Computing kpt #: 264 total cpu time spent up to now is 28.1 secs Computing kpt #: 265 total cpu time spent up to now is 28.2 secs Computing kpt #: 266 total cpu time spent up to now is 28.3 secs Computing kpt #: 267 total cpu time spent up to now is 28.4 secs Computing kpt #: 268 total cpu time spent up to now is 28.5 secs Computing kpt #: 269 total cpu time spent up to now is 28.6 secs Computing kpt #: 270 total cpu time spent up to now is 28.7 secs Computing kpt #: 271 total cpu time spent up to now is 28.8 secs Computing kpt #: 272 total cpu time spent up to now is 28.9 secs Computing kpt #: 273 total cpu time spent up to now is 29.0 secs Computing kpt #: 274 total cpu time spent up to now is 29.1 secs Computing kpt #: 275 total cpu time spent up to now is 29.2 secs Computing kpt #: 276 total cpu time spent up to now is 29.3 secs Computing kpt #: 277 total cpu time spent up to now is 29.4 secs Computing kpt #: 278 total cpu time spent up to now is 29.5 secs Computing kpt #: 279 total cpu time spent up to now is 29.6 secs Computing kpt #: 280 total cpu time spent up to now is 29.7 secs Computing kpt #: 281 total cpu time spent up to now is 29.8 secs Computing kpt #: 282 total cpu time spent up to now is 29.9 secs Computing kpt #: 283 total cpu time spent up to now is 30.0 secs Computing kpt #: 284 total cpu time spent up to now is 30.0 secs Computing kpt #: 285 total cpu time spent up to now is 30.1 secs Computing kpt #: 286 total cpu time spent up to now is 30.2 secs Computing kpt #: 287 total cpu time spent up to now is 30.3 secs Computing kpt #: 288 total cpu time spent up to now is 30.4 secs Computing kpt #: 289 total cpu time spent up to now is 30.5 secs Computing kpt #: 290 total cpu time spent up to now is 30.6 secs Computing kpt #: 291 total cpu time spent up to now is 30.7 secs Computing kpt #: 292 total cpu time spent up to now is 30.8 secs Computing kpt #: 293 total cpu time spent up to now is 31.0 secs Computing kpt #: 294 total cpu time spent up to now is 31.1 secs Computing kpt #: 295 total cpu time spent up to now is 31.2 secs Computing kpt #: 296 total cpu time spent up to now is 31.3 secs Computing kpt #: 297 total cpu time spent up to now is 31.4 secs Computing kpt #: 298 total cpu time spent up to now is 31.5 secs Computing kpt #: 299 total cpu time spent up to now is 31.6 secs Computing kpt #: 300 total cpu time spent up to now is 31.8 secs Computing kpt #: 301 total cpu time spent up to now is 31.9 secs Computing kpt #: 302 total cpu time spent up to now is 32.0 secs Computing kpt #: 303 total cpu time spent up to now is 32.1 secs Computing kpt #: 304 total cpu time spent up to now is 32.2 secs Computing kpt #: 305 total cpu time spent up to now is 32.3 secs Computing kpt #: 306 total cpu time spent up to now is 32.4 secs Computing kpt #: 307 total cpu time spent up to now is 32.5 secs Computing kpt #: 308 total cpu time spent up to now is 32.6 secs Computing kpt #: 309 total cpu time spent up to now is 32.7 secs Computing kpt #: 310 total cpu time spent up to now is 32.8 secs Computing kpt #: 311 total cpu time spent up to now is 32.9 secs Computing kpt #: 312 total cpu time spent up to now is 33.0 secs Computing kpt #: 313 total cpu time spent up to now is 33.1 secs Computing kpt #: 314 total cpu time spent up to now is 33.2 secs Computing kpt #: 315 total cpu time spent up to now is 33.3 secs Computing kpt #: 316 total cpu time spent up to now is 33.3 secs Computing kpt #: 317 total cpu time spent up to now is 33.4 secs Computing kpt #: 318 total cpu time spent up to now is 33.5 secs Computing kpt #: 319 total cpu time spent up to now is 33.6 secs Computing kpt #: 320 total cpu time spent up to now is 33.7 secs Computing kpt #: 321 total cpu time spent up to now is 33.7 secs Computing kpt #: 322 total cpu time spent up to now is 33.8 secs Computing kpt #: 323 total cpu time spent up to now is 33.9 secs Computing kpt #: 324 total cpu time spent up to now is 34.0 secs Computing kpt #: 325 total cpu time spent up to now is 34.1 secs Computing kpt #: 326 total cpu time spent up to now is 34.2 secs Computing kpt #: 327 total cpu time spent up to now is 34.2 secs Computing kpt #: 328 total cpu time spent up to now is 34.3 secs Computing kpt #: 329 total cpu time spent up to now is 34.4 secs Computing kpt #: 330 total cpu time spent up to now is 34.5 secs Computing kpt #: 331 total cpu time spent up to now is 34.6 secs Computing kpt #: 332 total cpu time spent up to now is 34.7 secs Computing kpt #: 333 total cpu time spent up to now is 34.8 secs Computing kpt #: 334 total cpu time spent up to now is 34.8 secs Computing kpt #: 335 total cpu time spent up to now is 34.9 secs Computing kpt #: 336 total cpu time spent up to now is 35.0 secs Computing kpt #: 337 total cpu time spent up to now is 35.1 secs Computing kpt #: 338 total cpu time spent up to now is 35.2 secs Computing kpt #: 339 total cpu time spent up to now is 35.3 secs Computing kpt #: 340 total cpu time spent up to now is 35.4 secs Computing kpt #: 341 total cpu time spent up to now is 35.5 secs Computing kpt #: 342 total cpu time spent up to now is 35.6 secs Computing kpt #: 343 total cpu time spent up to now is 35.6 secs Computing kpt #: 344 total cpu time spent up to now is 35.7 secs Computing kpt #: 345 total cpu time spent up to now is 35.8 secs Computing kpt #: 346 total cpu time spent up to now is 35.9 secs Computing kpt #: 347 total cpu time spent up to now is 36.1 secs Computing kpt #: 348 total cpu time spent up to now is 36.2 secs Computing kpt #: 349 total cpu time spent up to now is 36.3 secs Computing kpt #: 350 total cpu time spent up to now is 36.4 secs Computing kpt #: 351 total cpu time spent up to now is 36.6 secs Computing kpt #: 352 total cpu time spent up to now is 36.7 secs Computing kpt #: 353 total cpu time spent up to now is 36.8 secs Computing kpt #: 354 total cpu time spent up to now is 36.9 secs Computing kpt #: 355 total cpu time spent up to now is 37.0 secs Computing kpt #: 356 total cpu time spent up to now is 37.1 secs Computing kpt #: 357 total cpu time spent up to now is 37.2 secs Computing kpt #: 358 total cpu time spent up to now is 37.2 secs Computing kpt #: 359 total cpu time spent up to now is 37.3 secs Computing kpt #: 360 total cpu time spent up to now is 37.4 secs Computing kpt #: 361 total cpu time spent up to now is 37.5 secs Computing kpt #: 362 total cpu time spent up to now is 37.6 secs Computing kpt #: 363 total cpu time spent up to now is 37.6 secs Computing kpt #: 364 total cpu time spent up to now is 37.7 secs Computing kpt #: 365 total cpu time spent up to now is 37.8 secs Computing kpt #: 366 total cpu time spent up to now is 37.9 secs Computing kpt #: 367 total cpu time spent up to now is 38.0 secs Computing kpt #: 368 total cpu time spent up to now is 38.0 secs Computing kpt #: 369 total cpu time spent up to now is 38.1 secs Computing kpt #: 370 total cpu time spent up to now is 38.2 secs Computing kpt #: 371 total cpu time spent up to now is 38.3 secs Computing kpt #: 372 total cpu time spent up to now is 38.3 secs Computing kpt #: 373 total cpu time spent up to now is 38.4 secs Computing kpt #: 374 total cpu time spent up to now is 38.5 secs Computing kpt #: 375 total cpu time spent up to now is 38.6 secs Computing kpt #: 376 total cpu time spent up to now is 38.6 secs Computing kpt #: 377 total cpu time spent up to now is 38.7 secs Computing kpt #: 378 total cpu time spent up to now is 38.8 secs Computing kpt #: 379 total cpu time spent up to now is 38.9 secs Computing kpt #: 380 total cpu time spent up to now is 38.9 secs Computing kpt #: 381 total cpu time spent up to now is 39.0 secs Computing kpt #: 382 total cpu time spent up to now is 39.1 secs Computing kpt #: 383 total cpu time spent up to now is 39.1 secs Computing kpt #: 384 total cpu time spent up to now is 39.2 secs Computing kpt #: 385 total cpu time spent up to now is 39.3 secs Computing kpt #: 386 total cpu time spent up to now is 39.4 secs Computing kpt #: 387 total cpu time spent up to now is 39.4 secs Computing kpt #: 388 total cpu time spent up to now is 39.5 secs Computing kpt #: 389 total cpu time spent up to now is 39.6 secs Computing kpt #: 390 total cpu time spent up to now is 39.6 secs Computing kpt #: 391 total cpu time spent up to now is 39.7 secs Computing kpt #: 392 total cpu time spent up to now is 39.8 secs Computing kpt #: 393 total cpu time spent up to now is 39.9 secs Computing kpt #: 394 total cpu time spent up to now is 40.0 secs Computing kpt #: 395 total cpu time spent up to now is 40.1 secs Computing kpt #: 396 total cpu time spent up to now is 40.2 secs Computing kpt #: 397 total cpu time spent up to now is 40.3 secs Computing kpt #: 398 total cpu time spent up to now is 40.4 secs Computing kpt #: 399 total cpu time spent up to now is 40.5 secs Computing kpt #: 400 total cpu time spent up to now is 40.6 secs Computing kpt #: 401 total cpu time spent up to now is 40.8 secs Computing kpt #: 402 total cpu time spent up to now is 40.9 secs Computing kpt #: 403 total cpu time spent up to now is 41.0 secs Computing kpt #: 404 total cpu time spent up to now is 41.1 secs Computing kpt #: 405 total cpu time spent up to now is 41.2 secs Computing kpt #: 406 total cpu time spent up to now is 41.2 secs Computing kpt #: 407 total cpu time spent up to now is 41.3 secs Computing kpt #: 408 total cpu time spent up to now is 41.4 secs Computing kpt #: 409 total cpu time spent up to now is 41.5 secs Computing kpt #: 410 total cpu time spent up to now is 41.6 secs Computing kpt #: 411 total cpu time spent up to now is 41.6 secs Computing kpt #: 412 total cpu time spent up to now is 41.7 secs Computing kpt #: 413 total cpu time spent up to now is 41.8 secs Computing kpt #: 414 total cpu time spent up to now is 41.9 secs Computing kpt #: 415 total cpu time spent up to now is 42.0 secs Computing kpt #: 416 total cpu time spent up to now is 42.0 secs Computing kpt #: 417 total cpu time spent up to now is 42.1 secs Computing kpt #: 418 total cpu time spent up to now is 42.2 secs Computing kpt #: 419 total cpu time spent up to now is 42.3 secs Computing kpt #: 420 total cpu time spent up to now is 42.4 secs Computing kpt #: 421 total cpu time spent up to now is 42.4 secs Computing kpt #: 422 total cpu time spent up to now is 42.5 secs Computing kpt #: 423 total cpu time spent up to now is 42.6 secs Computing kpt #: 424 total cpu time spent up to now is 42.7 secs Computing kpt #: 425 total cpu time spent up to now is 42.8 secs Computing kpt #: 426 total cpu time spent up to now is 42.8 secs Computing kpt #: 427 total cpu time spent up to now is 42.9 secs Computing kpt #: 428 total cpu time spent up to now is 43.0 secs Computing kpt #: 429 total cpu time spent up to now is 43.1 secs Computing kpt #: 430 total cpu time spent up to now is 43.2 secs Computing kpt #: 431 total cpu time spent up to now is 43.3 secs Computing kpt #: 432 total cpu time spent up to now is 43.3 secs Computing kpt #: 433 total cpu time spent up to now is 43.4 secs Computing kpt #: 434 total cpu time spent up to now is 43.5 secs Computing kpt #: 435 total cpu time spent up to now is 43.6 secs Computing kpt #: 436 total cpu time spent up to now is 43.7 secs Computing kpt #: 437 total cpu time spent up to now is 43.8 secs Computing kpt #: 438 total cpu time spent up to now is 43.9 secs Computing kpt #: 439 total cpu time spent up to now is 44.0 secs Computing kpt #: 440 total cpu time spent up to now is 44.1 secs Computing kpt #: 441 total cpu time spent up to now is 44.1 secs Computing kpt #: 442 total cpu time spent up to now is 44.2 secs Computing kpt #: 443 total cpu time spent up to now is 44.4 secs Computing kpt #: 444 total cpu time spent up to now is 44.4 secs Computing kpt #: 445 total cpu time spent up to now is 44.5 secs Computing kpt #: 446 total cpu time spent up to now is 44.6 secs Computing kpt #: 447 total cpu time spent up to now is 44.7 secs Computing kpt #: 448 total cpu time spent up to now is 44.8 secs Computing kpt #: 449 total cpu time spent up to now is 44.9 secs Computing kpt #: 450 total cpu time spent up to now is 44.9 secs Computing kpt #: 451 total cpu time spent up to now is 45.0 secs Computing kpt #: 452 total cpu time spent up to now is 45.1 secs Computing kpt #: 453 total cpu time spent up to now is 45.2 secs Computing kpt #: 454 total cpu time spent up to now is 45.3 secs Computing kpt #: 455 total cpu time spent up to now is 45.3 secs Computing kpt #: 456 total cpu time spent up to now is 45.4 secs Computing kpt #: 457 total cpu time spent up to now is 45.5 secs Computing kpt #: 458 total cpu time spent up to now is 45.6 secs Computing kpt #: 459 total cpu time spent up to now is 45.7 secs Computing kpt #: 460 total cpu time spent up to now is 45.7 secs Computing kpt #: 461 total cpu time spent up to now is 45.8 secs Computing kpt #: 462 total cpu time spent up to now is 45.9 secs Computing kpt #: 463 total cpu time spent up to now is 46.0 secs Computing kpt #: 464 total cpu time spent up to now is 46.1 secs Computing kpt #: 465 total cpu time spent up to now is 46.2 secs Computing kpt #: 466 total cpu time spent up to now is 46.2 secs Computing kpt #: 467 total cpu time spent up to now is 46.3 secs Computing kpt #: 468 total cpu time spent up to now is 46.4 secs Computing kpt #: 469 total cpu time spent up to now is 46.5 secs Computing kpt #: 470 total cpu time spent up to now is 46.6 secs Computing kpt #: 471 total cpu time spent up to now is 46.7 secs Computing kpt #: 472 total cpu time spent up to now is 46.8 secs Computing kpt #: 473 total cpu time spent up to now is 46.9 secs Computing kpt #: 474 total cpu time spent up to now is 47.0 secs Computing kpt #: 475 total cpu time spent up to now is 47.1 secs Computing kpt #: 476 total cpu time spent up to now is 47.2 secs Computing kpt #: 477 total cpu time spent up to now is 47.3 secs Computing kpt #: 478 total cpu time spent up to now is 47.5 secs Computing kpt #: 479 total cpu time spent up to now is 47.6 secs Computing kpt #: 480 total cpu time spent up to now is 47.7 secs Computing kpt #: 481 total cpu time spent up to now is 47.7 secs Computing kpt #: 482 total cpu time spent up to now is 47.8 secs Computing kpt #: 483 total cpu time spent up to now is 47.9 secs Computing kpt #: 484 total cpu time spent up to now is 48.0 secs Computing kpt #: 485 total cpu time spent up to now is 48.1 secs Computing kpt #: 486 total cpu time spent up to now is 48.2 secs Computing kpt #: 487 total cpu time spent up to now is 48.3 secs Computing kpt #: 488 total cpu time spent up to now is 48.3 secs Computing kpt #: 489 total cpu time spent up to now is 48.4 secs Computing kpt #: 490 total cpu time spent up to now is 48.5 secs Computing kpt #: 491 total cpu time spent up to now is 48.6 secs Computing kpt #: 492 total cpu time spent up to now is 48.7 secs Computing kpt #: 493 total cpu time spent up to now is 48.8 secs Computing kpt #: 494 total cpu time spent up to now is 48.8 secs Computing kpt #: 495 total cpu time spent up to now is 48.9 secs Computing kpt #: 496 total cpu time spent up to now is 49.0 secs Computing kpt #: 497 total cpu time spent up to now is 49.1 secs ethr = 5.00E-08, avg # of iterations = 13.2 total cpu time spent up to now is 49.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1177 PWs) bands (ev): -52.0890 -52.0890 -23.4688 -23.4688 -13.8001 -13.8001 -13.5845 -13.5845 6.0874 6.0874 16.4894 16.4894 16.7045 16.7045 16.7084 16.7084 19.0684 19.0684 23.1362 23.1362 23.4792 23.4792 26.0858 26.0858 26.0990 26.0990 26.4761 26.4761 k = 0.0082 0.0047-0.0000 ( 1169 PWs) bands (ev): -52.0890 -52.0890 -23.4688 -23.4688 -13.8001 -13.8001 -13.5848 -13.5848 6.0890 6.0890 16.4880 16.4880 16.7055 16.7055 16.7071 16.7071 19.0648 19.0648 23.1384 23.1384 23.4812 23.4812 25.9519 25.9519 26.2319 26.2319 26.3822 26.3822 k = 0.0164 0.0095-0.0000 ( 1165 PWs) bands (ev): -52.0889 -52.0889 -23.4690 -23.4690 -13.8003 -13.8003 -13.5858 -13.5858 6.0938 6.0938 16.4835 16.4835 16.7033 16.7033 16.7087 16.7087 19.0540 19.0540 23.1447 23.1447 23.4875 23.4875 25.8119 25.8119 26.2408 26.2408 26.3660 26.3660 k = 0.0246 0.0142-0.0000 ( 1165 PWs) bands (ev): -52.0888 -52.0888 -23.4694 -23.4694 -13.8006 -13.8006 -13.5874 -13.5874 6.1019 6.1019 16.4752 16.4752 16.6980 16.6980 16.7138 16.7138 19.0362 19.0362 23.1541 23.1541 23.4989 23.4989 25.6726 25.6726 26.1010 26.1010 26.4730 26.4730 k = 0.0328 0.0189-0.0000 ( 1165 PWs) bands (ev): -52.0886 -52.0886 -23.4700 -23.4700 -13.8010 -13.8010 -13.5897 -13.5897 6.1131 6.1131 16.4620 16.4620 16.6923 16.6923 16.7210 16.7210 19.0118 19.0118 23.1651 23.1651 23.5165 23.5165 25.5340 25.5340 25.9631 25.9631 26.5383 26.5383 k = 0.0410 0.0237-0.0000 ( 1163 PWs) bands (ev): -52.0884 -52.0884 -23.4707 -23.4707 -13.8015 -13.8015 -13.5927 -13.5927 6.1275 6.1275 16.4428 16.4428 16.6874 16.6874 16.7301 16.7301 18.9810 18.9810 23.1759 23.1759 23.5418 23.5418 25.3963 25.3963 25.8276 25.8276 26.5961 26.5961 k = 0.0492 0.0284-0.0000 ( 1163 PWs) bands (ev): -52.0881 -52.0881 -23.4715 -23.4715 -13.8022 -13.8022 -13.5963 -13.5963 6.1451 6.1451 16.4164 16.4164 16.6847 16.6847 16.7412 16.7412 18.9443 18.9443 23.1847 23.1847 23.5759 23.5759 25.2594 25.2594 25.6952 25.6952 26.6603 26.6603 k = 0.0574 0.0331-0.0000 ( 1163 PWs) bands (ev): -52.0878 -52.0878 -23.4726 -23.4726 -13.8030 -13.8030 -13.6004 -13.6004 6.1659 6.1659 16.3825 16.3825 16.6848 16.6848 16.7541 16.7541 18.9022 18.9022 23.1902 23.1902 23.6195 23.6195 25.1233 25.1233 25.5663 25.5663 26.7335 26.7335 k = 0.0656 0.0379-0.0000 ( 1159 PWs) bands (ev): -52.0874 -52.0874 -23.4737 -23.4737 -13.8039 -13.8039 -13.6051 -13.6051 6.1898 6.1898 16.3410 16.3410 16.6880 16.6880 16.7688 16.7688 18.8552 18.8552 23.1920 23.1920 23.6725 23.6725 24.9883 24.9883 25.4414 25.4414 26.8162 26.8162 k = 0.0738 0.0426-0.0000 ( 1155 PWs) bands (ev): -52.0870 -52.0870 -23.4750 -23.4750 -13.8050 -13.8050 -13.6104 -13.6104 6.2168 6.2168 16.2923 16.2923 16.6940 16.6940 16.7851 16.7851 18.8040 18.8040 23.1899 23.1899 23.7341 23.7341 24.8543 24.8543 25.3209 25.3209 26.9083 26.9083 k = 0.0820 0.0473-0.0000 ( 1155 PWs) bands (ev): -52.0866 -52.0866 -23.4765 -23.4765 -13.8064 -13.8064 -13.6162 -13.6162 6.2469 6.2469 16.2369 16.2369 16.7025 16.7025 16.8030 16.8030 18.7489 18.7489 23.1842 23.1842 23.8032 23.8032 24.7218 24.7218 25.2051 25.2051 27.0095 27.0095 k = 0.0902 0.0521-0.0000 ( 1155 PWs) bands (ev): -52.0861 -52.0861 -23.4781 -23.4781 -13.8078 -13.8078 -13.6225 -13.6225 6.2800 6.2800 16.1756 16.1756 16.7133 16.7133 16.8223 16.8223 18.6906 18.6906 23.1755 23.1755 23.8782 23.8782 24.5914 24.5914 25.0941 25.0941 27.1195 27.1195 k = 0.0984 0.0568-0.0000 ( 1155 PWs) bands (ev): -52.0856 -52.0856 -23.4798 -23.4798 -13.8096 -13.8096 -13.6291 -13.6291 6.3161 6.3161 16.1089 16.1089 16.7260 16.7260 16.8429 16.8429 18.6295 18.6295 23.1641 23.1641 23.9572 23.9572 24.4643 24.4643 24.9882 24.9882 27.2378 27.2378 k = 0.1066 0.0615-0.0000 ( 1151 PWs) bands (ev): -52.0850 -52.0850 -23.4817 -23.4817 -13.8115 -13.8115 -13.6361 -13.6361 6.3551 6.3551 16.0372 16.0372 16.7404 16.7404 16.8646 16.8646 18.5661 18.5661 23.1503 23.1503 24.0356 24.0356 24.3444 24.3444 24.8874 24.8874 27.3639 27.3639 k = 0.1148 0.0663-0.0000 ( 1148 PWs) bands (ev): -52.0844 -52.0844 -23.4836 -23.4836 -13.8137 -13.8137 -13.6435 -13.6435 6.3971 6.3971 15.9611 15.9611 16.7561 16.7561 16.8871 16.8871 18.5009 18.5009 23.1345 23.1345 24.0908 24.0908 24.2533 24.2533 24.7918 24.7918 27.4972 27.4972 k = 0.1230 0.0710-0.0000 ( 1148 PWs) bands (ev): -52.0837 -52.0837 -23.4858 -23.4858 -13.8163 -13.8163 -13.6511 -13.6511 6.4420 6.4420 15.8810 15.8810 16.7730 16.7730 16.9104 16.9104 18.4341 18.4341 23.1169 23.1169 24.0440 24.0440 24.2695 24.2695 24.7015 24.7015 27.6370 27.6370 k = 0.1311 0.0757-0.0000 ( 1148 PWs) bands (ev): -52.0830 -52.0830 -23.4880 -23.4880 -13.8191 -13.8191 -13.6589 -13.6589 6.4896 6.4896 15.7973 15.7973 16.7909 16.7909 16.9341 16.9341 18.3662 18.3662 23.0978 23.0978 23.9397 23.9397 24.3474 24.3474 24.6170 24.6170 27.7823 27.7823 k = 0.1393 0.0805-0.0000 ( 1148 PWs) bands (ev): -52.0823 -52.0823 -23.4904 -23.4904 -13.8224 -13.8224 -13.6667 -13.6667 6.5401 6.5401 15.7104 15.7104 16.8097 16.8097 16.9581 16.9581 18.2975 18.2975 23.0774 23.0774 23.8292 23.8292 24.4320 24.4320 24.5413 24.5413 27.9312 27.9312 k = 0.1475 0.0852-0.0000 ( 1150 PWs) bands (ev): -52.0816 -52.0816 -23.4928 -23.4928 -13.8262 -13.8262 -13.6746 -13.6746 6.5932 6.5932 15.6205 15.6205 16.8292 16.8292 16.9820 16.9820 18.2283 18.2283 23.0557 23.0557 23.7205 23.7205 24.4480 24.4480 24.5411 24.5411 28.0807 28.0807 k = 0.1557 0.0899-0.0000 ( 1150 PWs) bands (ev): -52.0808 -52.0808 -23.4954 -23.4954 -13.8304 -13.8304 -13.6824 -13.6824 6.6490 6.6490 15.5281 15.5281 16.8492 16.8492 17.0056 17.0056 18.1589 18.1589 23.0330 23.0330 23.6157 23.6157 24.3838 24.3838 24.6256 24.6256 28.2237 28.2237 k = 0.1639 0.0946-0.0000 ( 1150 PWs) bands (ev): -52.0800 -52.0800 -23.4980 -23.4980 -13.8352 -13.8352 -13.6901 -13.6901 6.7075 6.7075 15.4333 15.4333 16.8696 16.8696 17.0286 17.0286 18.0895 18.0895 23.0094 23.0094 23.5160 23.5160 24.3195 24.3195 24.7127 24.7127 28.3482 28.3482 k = 0.1721 0.0994-0.0000 ( 1146 PWs) bands (ev): -52.0792 -52.0792 -23.5008 -23.5008 -13.8405 -13.8405 -13.6974 -13.6974 6.7684 6.7684 15.3365 15.3365 16.8903 16.8903 17.0507 17.0507 18.0203 18.0203 22.9850 22.9850 23.4219 23.4219 24.2595 24.2595 24.7970 24.7970 28.4455 28.4455 k = 0.1803 0.1041-0.0000 ( 1148 PWs) bands (ev): -52.0783 -52.0783 -23.5036 -23.5036 -13.8466 -13.8466 -13.7045 -13.7045 6.8318 6.8318 15.2379 15.2379 16.9111 16.9111 17.0716 17.0716 17.9516 17.9516 22.9600 22.9600 23.3342 23.3342 24.2041 24.2041 24.8765 24.8765 28.5209 28.5209 k = 0.1885 0.1088-0.0000 ( 1148 PWs) bands (ev): -52.0774 -52.0774 -23.5065 -23.5065 -13.8533 -13.8533 -13.7111 -13.7111 6.8977 6.8977 15.1376 15.1376 16.9318 16.9318 17.0909 17.0909 17.8835 17.8835 22.9346 22.9346 23.2532 23.2532 24.1536 24.1536 24.9501 24.9501 28.5825 28.5825 k = 0.1967 0.1136-0.0000 ( 1148 PWs) bands (ev): -52.0765 -52.0765 -23.5094 -23.5094 -13.8606 -13.8606 -13.7173 -13.7173 6.9659 6.9659 15.0359 15.0359 16.9524 16.9524 17.1084 17.1084 17.8162 17.8162 22.9089 22.9089 23.1794 23.1794 24.1079 24.1079 25.0165 25.0165 28.6351 28.6351 k = 0.2049 0.1183-0.0000 ( 1144 PWs) bands (ev): -52.0756 -52.0756 -23.5124 -23.5124 -13.8687 -13.8687 -13.7231 -13.7231 7.0364 7.0364 14.9330 14.9330 16.9727 16.9727 17.1238 17.1238 17.7498 17.7498 22.8832 22.8832 23.1131 23.1131 24.0670 24.0670 25.0748 25.0748 28.6809 28.6809 k = 0.2131 0.1230-0.0000 ( 1144 PWs) bands (ev): -52.0747 -52.0747 -23.5154 -23.5154 -13.8774 -13.8774 -13.7283 -13.7283 7.1091 7.1091 14.8290 14.8290 16.9925 16.9925 17.1369 17.1369 17.6845 17.6845 22.8578 22.8578 23.0547 23.0547 24.0309 24.0309 25.1241 25.1241 28.7215 28.7215 k = 0.2213 0.1278-0.0000 ( 1148 PWs) bands (ev): -52.0738 -52.0738 -23.5186 -23.5186 -13.8868 -13.8868 -13.7330 -13.7330 7.1839 7.1839 14.7241 14.7241 17.0115 17.0115 17.1474 17.1474 17.6205 17.6205 22.8328 22.8328 23.0043 23.0043 23.9996 23.9996 25.1638 25.1638 28.7581 28.7581 k = 0.2295 0.1325-0.0000 ( 1144 PWs) bands (ev): -52.0728 -52.0728 -23.5216 -23.5216 -13.8966 -13.8966 -13.7373 -13.7373 7.2609 7.2609 14.6183 14.6183 17.0297 17.0297 17.1552 17.1552 17.5578 17.5578 22.8085 22.8085 22.9622 22.9622 23.9729 23.9729 25.1935 25.1935 28.7919 28.7919 k = 0.2377 0.1372-0.0000 ( 1146 PWs) bands (ev): -52.0719 -52.0719 -23.5248 -23.5248 -13.9070 -13.9070 -13.7412 -13.7412 7.3398 7.3398 14.5119 14.5119 17.0466 17.0466 17.1602 17.1602 17.4968 17.4968 22.7847 22.7847 22.9290 22.9290 23.9510 23.9510 25.2132 25.2132 28.8240 28.8240 k = 0.2459 0.1420-0.0000 ( 1148 PWs) bands (ev): -52.0709 -52.0709 -23.5280 -23.5280 -13.9177 -13.9177 -13.7446 -13.7446 7.4206 7.4206 14.4049 14.4049 17.0617 17.0617 17.1625 17.1625 17.4376 17.4376 22.7612 22.7612 22.9051 22.9051 23.9336 23.9336 25.2230 25.2230 28.8546 28.8546 k = 0.2541 0.1467-0.0000 ( 1148 PWs) bands (ev): -52.0700 -52.0700 -23.5311 -23.5311 -13.9288 -13.9288 -13.7477 -13.7477 7.5033 7.5033 14.2973 14.2973 17.0744 17.0744 17.1623 17.1623 17.3807 17.3807 22.7375 22.7375 22.8914 22.8914 23.9206 23.9206 25.2234 25.2234 28.8838 28.8838 k = 0.2623 0.1514-0.0000 ( 1144 PWs) bands (ev): -52.0690 -52.0690 -23.5343 -23.5343 -13.9401 -13.9401 -13.7505 -13.7505 7.5878 7.5878 14.1894 14.1894 17.0834 17.0834 17.1598 17.1598 17.3271 17.3271 22.7133 22.7133 22.8881 22.8881 23.9121 23.9121 25.2151 25.2151 28.9113 28.9113 k = 0.2705 0.1562-0.0000 ( 1144 PWs) bands (ev): -52.0680 -52.0680 -23.5374 -23.5374 -13.9516 -13.9516 -13.7529 -13.7529 7.6739 7.6739 14.0811 14.0811 17.0873 17.0873 17.1544 17.1544 17.2789 17.2789 22.6887 22.6887 22.8954 22.8954 23.9079 23.9079 25.1990 25.1990 28.9368 28.9368 k = 0.2787 0.1609-0.0000 ( 1144 PWs) bands (ev): -52.0671 -52.0671 -23.5406 -23.5406 -13.9633 -13.9633 -13.7552 -13.7552 7.7616 7.7616 13.9726 13.9726 17.0848 17.0848 17.1419 17.1419 17.2416 17.2416 22.6638 22.6638 22.9129 22.9129 23.9079 23.9079 25.1760 25.1760 28.9601 28.9601 k = 0.2869 0.1656-0.0000 ( 1144 PWs) bands (ev): -52.0662 -52.0662 -23.5437 -23.5437 -13.9749 -13.9749 -13.7572 -13.7572 7.8509 7.8509 13.8638 13.8638 17.0756 17.0756 17.1154 17.1154 17.2226 17.2226 22.6391 22.6391 22.9403 22.9403 23.9119 23.9119 25.1470 25.1470 28.9811 28.9811 k = 0.2951 0.1704-0.0000 ( 1146 PWs) bands (ev): -52.0652 -52.0652 -23.5468 -23.5468 -13.9866 -13.9866 -13.7590 -13.7590 7.9416 7.9416 13.7549 13.7549 17.0605 17.0605 17.0771 17.0771 17.2191 17.2191 22.6147 22.6147 22.9772 22.9772 23.9199 23.9199 25.1131 25.1131 28.9997 28.9997 k = 0.3033 0.1751-0.0000 ( 1142 PWs) bands (ev): -52.0643 -52.0643 -23.5498 -23.5498 -13.9982 -13.9982 -13.7606 -13.7606 8.0336 8.0336 13.6459 13.6459 17.0319 17.0319 17.0430 17.0430 17.2230 17.2230 22.5907 22.5907 23.0231 23.0231 23.9316 23.9316 25.0751 25.0751 29.0161 29.0161 k = 0.3115 0.1798-0.0000 ( 1146 PWs) bands (ev): -52.0634 -52.0634 -23.5528 -23.5528 -14.0096 -14.0096 -13.7622 -13.7622 8.1269 8.1269 13.5368 13.5368 16.9882 16.9882 17.0196 17.0196 17.2297 17.2297 22.5673 22.5673 23.0776 23.0776 23.9470 23.9470 25.0341 25.0341 29.0302 29.0302 k = 0.3197 0.1846-0.0000 ( 1150 PWs) bands (ev): -52.0626 -52.0626 -23.5558 -23.5558 -14.0209 -14.0209 -13.7635 -13.7635 8.2213 8.2213 13.4278 13.4278 16.9444 16.9444 16.9941 16.9941 17.2374 17.2374 22.5445 22.5445 23.1402 23.1402 23.9658 23.9658 24.9907 24.9907 29.0420 29.0420 k = 0.3279 0.1893-0.0000 ( 1148 PWs) bands (ev): -52.0617 -52.0617 -23.5586 -23.5586 -14.0320 -14.0320 -13.7648 -13.7648 8.3167 8.3167 13.3189 13.3189 16.9016 16.9016 16.9664 16.9664 17.2453 17.2453 22.5224 22.5224 23.2102 23.2102 23.9881 23.9881 24.9457 24.9457 29.0515 29.0515 k = 0.3361 0.1940-0.0000 ( 1148 PWs) bands (ev): -52.0609 -52.0609 -23.5614 -23.5614 -14.0428 -14.0428 -13.7659 -13.7659 8.4130 8.4130 13.2101 13.2101 16.8603 16.8603 16.9370 16.9370 17.2531 17.2531 22.5010 22.5010 23.2870 23.2870 24.0137 24.0137 24.8999 24.8999 29.0586 29.0586 k = 0.3443 0.1988-0.0000 ( 1148 PWs) bands (ev): -52.0601 -52.0601 -23.5641 -23.5641 -14.0533 -14.0533 -13.7670 -13.7670 8.5102 8.5102 13.1015 13.1015 16.8206 16.8206 16.9065 16.9065 17.2604 17.2604 22.4805 22.4805 23.3696 23.3696 24.0426 24.0426 24.8538 24.8538 29.0632 29.0632 k = 0.3525 0.2035-0.0000 ( 1148 PWs) bands (ev): -52.0593 -52.0593 -23.5667 -23.5667 -14.0634 -14.0634 -13.7679 -13.7679 8.6079 8.6079 12.9933 12.9933 16.7825 16.7825 16.8751 16.8751 17.2672 17.2672 22.4608 22.4608 23.4571 23.4571 24.0751 24.0751 24.8080 24.8080 29.0651 29.0651 k = 0.3607 0.2082-0.0000 ( 1148 PWs) bands (ev): -52.0585 -52.0585 -23.5692 -23.5692 -14.0732 -14.0732 -13.7688 -13.7688 8.7062 8.7062 12.8855 12.8855 16.7462 16.7462 16.8434 16.8434 17.2735 17.2735 22.4419 22.4419 23.5482 23.5482 24.1112 24.1112 24.7629 24.7629 29.0640 29.0640 k = 0.3689 0.2130-0.0000 ( 1148 PWs) bands (ev): -52.0578 -52.0578 -23.5716 -23.5716 -14.0826 -14.0826 -13.7696 -13.7696 8.8047 8.8047 12.7782 12.7782 16.7116 16.7116 16.8117 16.8117 17.2792 17.2792 22.4239 22.4239 23.6411 23.6411 24.1517 24.1517 24.7192 24.7192 29.0596 29.0596 k = 0.3770 0.2177-0.0000 ( 1156 PWs) bands (ev): -52.0571 -52.0571 -23.5740 -23.5740 -14.0916 -14.0916 -13.7703 -13.7703 8.9033 8.9033 12.6716 12.6716 16.6789 16.6789 16.7803 16.7803 17.2843 17.2843 22.4069 22.4069 23.7339 23.7339 24.1974 24.1974 24.6773 24.6773 29.0515 29.0515 k = 0.3852 0.2224-0.0000 ( 1156 PWs) bands (ev): -52.0565 -52.0565 -23.5762 -23.5762 -14.1001 -14.1001 -13.7710 -13.7710 9.0019 9.0019 12.5658 12.5658 16.6480 16.6480 16.7497 16.7497 17.2888 17.2888 22.3908 22.3908 23.8236 23.8236 24.2496 24.2496 24.6379 24.6379 29.0393 29.0393 k = 0.3934 0.2272-0.0000 ( 1156 PWs) bands (ev): -52.0559 -52.0559 -23.5782 -23.5782 -14.1081 -14.1081 -13.7716 -13.7716 9.1000 9.1000 12.4612 12.4612 16.6189 16.6189 16.7201 16.7201 17.2928 17.2928 22.3758 22.3758 23.9074 23.9074 24.3089 24.3089 24.6025 24.6025 29.0222 29.0222 k = 0.4016 0.2319-0.0000 ( 1152 PWs) bands (ev): -52.0553 -52.0553 -23.5801 -23.5801 -14.1156 -14.1156 -13.7721 -13.7721 9.1975 9.1975 12.3579 12.3579 16.5917 16.5917 16.6918 16.6918 17.2963 17.2963 22.3617 22.3617 23.9824 23.9824 24.3735 24.3735 24.5745 24.5745 28.9998 28.9998 k = 0.4098 0.2366-0.0000 ( 1152 PWs) bands (ev): -52.0548 -52.0548 -23.5819 -23.5819 -14.1226 -14.1226 -13.7726 -13.7726 9.2938 9.2938 12.2564 12.2564 16.5664 16.5664 16.6651 16.6651 17.2993 17.2993 22.3487 22.3487 24.0471 24.0471 24.4297 24.4297 24.5681 24.5681 28.9712 28.9712 k = 0.4180 0.2414-0.0000 ( 1156 PWs) bands (ev): -52.0543 -52.0543 -23.5836 -23.5836 -14.1291 -14.1291 -13.7731 -13.7731 9.3886 9.3886 12.1570 12.1570 16.5430 16.5430 16.6402 16.6402 17.3019 17.3019 22.3367 22.3367 24.1018 24.1018 24.4459 24.4459 24.6130 24.6130 28.9361 28.9361 k = 0.4262 0.2461-0.0000 ( 1156 PWs) bands (ev): -52.0538 -52.0538 -23.5851 -23.5851 -14.1350 -14.1350 -13.7734 -13.7734 9.4812 9.4812 12.0604 12.0604 16.5215 16.5215 16.6173 16.6173 17.3042 17.3042 22.3258 22.3258 24.1478 24.1478 24.4319 24.4319 24.6967 24.6967 28.8942 28.8942 k = 0.4344 0.2508-0.0000 ( 1156 PWs) bands (ev): -52.0534 -52.0534 -23.5865 -23.5865 -14.1403 -14.1403 -13.7738 -13.7738 9.5708 9.5708 11.9672 11.9672 16.5020 16.5020 16.5966 16.5966 17.3061 17.3061 22.3160 22.3160 24.1865 24.1865 24.4110 24.4110 24.7926 24.7926 28.8457 28.8457 k = 0.4426 0.2555-0.0000 ( 1152 PWs) bands (ev): -52.0530 -52.0530 -23.5877 -23.5877 -14.1450 -14.1450 -13.7741 -13.7741 9.6565 9.6565 11.8785 11.8785 16.4846 16.4846 16.5781 16.5781 17.3076 17.3076 22.3073 22.3073 24.2192 24.2192 24.3900 24.3900 24.8906 24.8906 28.7919 28.7919 k = 0.4508 0.2603-0.0000 ( 1152 PWs) bands (ev): -52.0527 -52.0527 -23.5887 -23.5887 -14.1491 -14.1491 -13.7743 -13.7743 9.7370 9.7370 11.7953 11.7953 16.4693 16.4693 16.5620 16.5620 17.3089 17.3089 22.2998 22.2998 24.2467 24.2467 24.3707 24.3707 24.9858 24.9858 28.7346 28.7346 k = 0.4590 0.2650-0.0000 ( 1156 PWs) bands (ev): -52.0525 -52.0525 -23.5896 -23.5896 -14.1526 -14.1526 -13.7746 -13.7746 9.8109 9.8109 11.7192 11.7192 16.4562 16.4562 16.5483 16.5483 17.3099 17.3099 22.2933 22.2933 24.2694 24.2694 24.3540 24.3540 25.0744 25.0744 28.6768 28.6768 k = 0.4672 0.2697-0.0000 ( 1156 PWs) bands (ev): -52.0522 -52.0522 -23.5904 -23.5904 -14.1555 -14.1555 -13.7747 -13.7747 9.8763 9.8763 11.6520 11.6520 16.4454 16.4454 16.5370 16.5370 17.3108 17.3108 22.2881 22.2881 24.2876 24.2876 24.3403 24.3403 25.1529 25.1529 28.6219 28.6219 k = 0.4754 0.2745-0.0000 ( 1156 PWs) bands (ev): -52.0521 -52.0521 -23.5910 -23.5910 -14.1577 -14.1577 -13.7749 -13.7749 9.9309 9.9309 11.5961 11.5961 16.4368 16.4368 16.5283 16.5283 17.3114 17.3114 22.2840 22.2840 24.3010 24.3010 24.3301 24.3301 25.2181 25.2181 28.5738 28.5738 k = 0.4836 0.2792-0.0000 ( 1160 PWs) bands (ev): -52.0520 -52.0520 -23.5914 -23.5914 -14.1593 -14.1593 -13.7750 -13.7750 9.9724 9.9724 11.5537 11.5537 16.4307 16.4307 16.5220 16.5220 17.3118 17.3118 22.2810 22.2810 24.3086 24.3086 24.3248 24.3248 25.2672 25.2672 28.5362 28.5362 k = 0.4918 0.2839-0.0000 ( 1158 PWs) bands (ev): -52.0519 -52.0519 -23.5916 -23.5916 -14.1603 -14.1603 -13.7750 -13.7750 9.9984 9.9984 11.5271 11.5271 16.4270 16.4270 16.5182 16.5182 17.3120 17.3120 22.2793 22.2793 24.3097 24.3097 24.3249 24.3249 25.2977 25.2977 28.5123 28.5123 k = 0.5000 0.2887-0.0000 ( 1154 PWs) bands (ev): -52.0518 -52.0518 -23.5917 -23.5917 -14.1606 -14.1606 -13.7751 -13.7751 10.0072 10.0072 11.5181 11.5181 16.4258 16.4258 16.5170 16.5170 17.3121 17.3121 22.2787 22.2787 24.3093 24.3093 24.3258 24.3258 25.3081 25.3081 28.5040 28.5040 k = 0.5000 0.2887-0.0000 ( 1154 PWs) bands (ev): -52.0518 -52.0518 -23.5917 -23.5917 -14.1606 -14.1606 -13.7751 -13.7751 10.0072 10.0072 11.5181 11.5181 16.4258 16.4258 16.5170 16.5170 17.3121 17.3121 22.2787 22.2787 24.3093 24.3093 24.3258 24.3258 25.3081 25.3081 28.5040 28.5040 k = 0.4952 0.2969-0.0000 ( 1158 PWs) bands (ev): -52.0518 -52.0518 -23.5917 -23.5917 -14.1605 -14.1605 -13.7753 -13.7753 10.0091 10.0091 11.5185 11.5185 16.4198 16.4198 16.5042 16.5042 17.3318 17.3318 22.2595 22.2595 24.3136 24.3136 24.3374 24.3374 25.3045 25.3045 28.5128 28.5128 k = 0.4905 0.3052-0.0000 ( 1156 PWs) bands (ev): -52.0518 -52.0518 -23.5918 -23.5918 -14.1603 -14.1603 -13.7759 -13.7759 10.0148 10.0148 11.5198 11.5198 16.3902 16.3902 16.4826 16.4826 17.3859 17.3859 22.2044 22.2044 24.2982 24.2982 24.3982 24.3982 25.2937 25.2937 28.5390 28.5390 k = 0.4857 0.3134-0.0000 ( 1156 PWs) bands (ev): -52.0518 -52.0518 -23.5919 -23.5919 -14.1599 -14.1599 -13.7770 -13.7770 10.0243 10.0243 11.5219 11.5219 16.3230 16.3230 16.4758 16.4758 17.4646 17.4646 22.1192 22.1192 24.2702 24.2702 24.4957 24.4957 25.2761 25.2761 28.5822 28.5822 k = 0.4810 0.3217-0.0000 ( 1148 PWs) bands (ev): -52.0517 -52.0517 -23.5920 -23.5920 -14.1594 -14.1594 -13.7785 -13.7785 10.0375 10.0375 11.5249 11.5249 16.2312 16.2312 16.4798 16.4798 17.5592 17.5592 22.0108 22.0108 24.2317 24.2317 24.6212 24.6212 25.2520 25.2520 28.6414 28.6414 k = 0.4762 0.3299-0.0000 ( 1148 PWs) bands (ev): -52.0516 -52.0516 -23.5923 -23.5923 -14.1587 -14.1587 -13.7804 -13.7804 10.0545 10.0545 11.5288 11.5288 16.1261 16.1261 16.4891 16.4891 17.6638 17.6638 21.8857 21.8857 24.1835 24.1835 24.7671 24.7671 25.2227 25.2227 28.7158 28.7158 k = 0.4714 0.3382-0.0000 ( 1148 PWs) bands (ev): -52.0515 -52.0515 -23.5925 -23.5925 -14.1579 -14.1579 -13.7827 -13.7827 10.0752 10.0752 11.5335 11.5335 16.0129 16.0129 16.5020 16.5020 17.7751 17.7751 21.7490 21.7490 24.1267 24.1267 24.9243 24.9243 25.1923 25.1923 28.8041 28.8041 k = 0.4667 0.3464-0.0000 ( 1148 PWs) bands (ev): -52.0514 -52.0514 -23.5928 -23.5928 -14.1570 -14.1570 -13.7854 -13.7854 10.0996 10.0996 11.5390 11.5390 15.8944 15.8944 16.5179 16.5179 17.8908 17.8908 21.6046 21.6046 24.0624 24.0624 25.0555 25.0555 25.1945 25.1945 28.9052 28.9052 k = 0.4619 0.3547-0.0000 ( 1144 PWs) bands (ev): -52.0513 -52.0513 -23.5932 -23.5932 -14.1560 -14.1560 -13.7884 -13.7884 10.1277 10.1277 11.5455 11.5455 15.7720 15.7720 16.5365 16.5365 18.0099 18.0099 21.4553 21.4553 23.9916 23.9916 25.0571 25.0571 25.3302 25.3302 29.0179 29.0179 k = 0.4571 0.3629-0.0000 ( 1144 PWs) bands (ev): -52.0512 -52.0512 -23.5936 -23.5936 -14.1548 -14.1548 -13.7919 -13.7919 10.1594 10.1594 11.5528 11.5528 15.6468 15.6468 16.5579 16.5579 18.1317 18.1317 21.3031 21.3031 23.9153 23.9153 25.0091 25.0091 25.5176 25.5176 29.1409 29.1409 k = 0.4524 0.3712-0.0000 ( 1140 PWs) bands (ev): -52.0510 -52.0510 -23.5940 -23.5940 -14.1535 -14.1535 -13.7955 -13.7955 10.1946 10.1946 11.5610 11.5610 15.5192 15.5192 16.5818 16.5818 18.2556 18.2556 21.1496 21.1496 23.8346 23.8346 24.9495 24.9495 25.7174 25.7174 29.2733 29.2733 k = 0.4476 0.3794-0.0000 ( 1140 PWs) bands (ev): -52.0509 -52.0509 -23.5944 -23.5944 -14.1522 -14.1522 -13.7996 -13.7996 10.2333 10.2333 11.5701 11.5701 15.3898 15.3898 16.6083 16.6083 18.3814 18.3814 20.9958 20.9958 23.7503 23.7503 24.8829 24.8829 25.9241 25.9241 29.4141 29.4141 k = 0.4429 0.3876-0.0000 ( 1140 PWs) bands (ev): -52.0507 -52.0507 -23.5949 -23.5949 -14.1507 -14.1507 -13.8038 -13.8038 10.2755 10.2755 11.5801 11.5801 15.2589 15.2589 16.6374 16.6374 18.5089 18.5089 20.8426 20.8426 23.6632 23.6632 24.8104 24.8104 26.1358 26.1358 29.5623 29.5623 k = 0.4381 0.3959-0.0000 ( 1140 PWs) bands (ev): -52.0505 -52.0505 -23.5954 -23.5954 -14.1492 -14.1492 -13.8083 -13.8083 10.3211 10.3211 11.5910 11.5910 15.1266 15.1266 16.6689 16.6689 18.6379 18.6379 20.6908 20.6908 23.5742 23.5742 24.7326 24.7326 26.3513 26.3513 29.7171 29.7171 k = 0.4333 0.4041-0.0000 ( 1144 PWs) bands (ev): -52.0504 -52.0504 -23.5960 -23.5960 -14.1476 -14.1476 -13.8131 -13.8131 10.3699 10.3699 11.6028 11.6028 14.9931 14.9931 16.7030 16.7030 18.7683 18.7683 20.5410 20.5410 23.4839 23.4839 24.6500 24.6500 26.5699 26.5699 29.8778 29.8778 k = 0.4286 0.4124-0.0000 ( 1148 PWs) bands (ev): -52.0502 -52.0502 -23.5966 -23.5966 -14.1459 -14.1459 -13.8180 -13.8180 10.4221 10.4221 11.6156 11.6156 14.8586 14.8586 16.7396 16.7396 18.8997 18.8997 20.3940 20.3940 23.3928 23.3928 24.5628 24.5628 26.7910 26.7910 30.0436 30.0436 k = 0.4238 0.4206-0.0000 ( 1148 PWs) bands (ev): -52.0500 -52.0500 -23.5972 -23.5972 -14.1443 -14.1443 -13.8229 -13.8229 10.4774 10.4774 11.6293 11.6293 14.7233 14.7233 16.7787 16.7787 19.0315 19.0315 20.2505 20.2505 23.3016 23.3016 24.4712 24.4712 27.0139 27.0139 30.2140 30.2140 k = 0.4190 0.4289-0.0000 ( 1146 PWs) bands (ev): -52.0498 -52.0498 -23.5978 -23.5978 -14.1425 -14.1425 -13.8280 -13.8280 10.5357 10.5357 11.6440 11.6440 14.5872 14.5872 16.8203 16.8203 19.1626 19.1626 20.1122 20.1122 23.2106 23.2106 24.3757 24.3757 27.2382 27.2382 30.3883 30.3883 k = 0.4143 0.4371-0.0000 ( 1146 PWs) bands (ev): -52.0496 -52.0496 -23.5984 -23.5984 -14.1408 -14.1408 -13.8331 -13.8331 10.5971 10.5971 11.6596 11.6596 14.4504 14.4504 16.8643 16.8643 19.2897 19.2897 19.9825 19.9825 23.1202 23.1202 24.2763 24.2763 27.4634 27.4634 30.5660 30.5660 k = 0.4095 0.4454-0.0000 ( 1150 PWs) bands (ev): -52.0494 -52.0494 -23.5991 -23.5991 -14.1391 -14.1391 -13.8382 -13.8382 10.6613 10.6613 11.6762 11.6762 14.3132 14.3132 16.9107 16.9107 19.4027 19.4027 19.8716 19.8716 23.0309 23.0309 24.1735 24.1735 27.6889 27.6889 30.7464 30.7464 k = 0.4048 0.4536-0.0000 ( 1150 PWs) bands (ev): -52.0492 -52.0492 -23.5997 -23.5997 -14.1375 -14.1375 -13.8433 -13.8433 10.7284 10.7284 11.6939 11.6939 14.1755 14.1755 16.9596 16.9596 19.4673 19.4673 19.8142 19.8142 22.9430 22.9430 24.0674 24.0674 27.9142 27.9142 30.9288 30.9288 k = 0.4000 0.4619-0.0000 ( 1150 PWs) bands (ev): -52.0490 -52.0490 -23.6003 -23.6003 -14.1359 -14.1359 -13.8483 -13.8483 10.7981 10.7981 11.7126 11.7126 14.0374 14.0374 17.0109 17.0109 19.4348 19.4348 19.8590 19.8590 22.8567 22.8567 23.9583 23.9583 28.1387 28.1387 31.1116 31.1116 k = 0.3952 0.4701-0.0000 ( 1151 PWs) bands (ev): -52.0488 -52.0488 -23.6010 -23.6010 -14.1343 -14.1343 -13.8531 -13.8531 10.8703 10.8703 11.7324 11.7324 13.8992 13.8992 17.0646 17.0646 19.3406 19.3406 19.9708 19.9708 22.7723 22.7723 23.8466 23.8466 28.3618 28.3618 31.2916 31.2916 k = 0.3905 0.4784-0.0000 ( 1147 PWs) bands (ev): -52.0486 -52.0486 -23.6015 -23.6015 -14.1328 -14.1328 -13.8578 -13.8578 10.9450 10.9450 11.7533 11.7533 13.7609 13.7609 17.1206 17.1206 19.2283 19.2283 20.1059 20.1059 22.6900 22.6900 23.7324 23.7324 28.5828 28.5828 31.4534 31.4534 k = 0.3857 0.4866-0.0000 ( 1147 PWs) bands (ev): -52.0484 -52.0484 -23.6021 -23.6021 -14.1315 -14.1315 -13.8622 -13.8622 11.0219 11.0219 11.7754 11.7754 13.6226 13.6226 17.1790 17.1790 19.1118 19.1118 20.2505 20.2505 22.6102 22.6102 23.6160 23.6160 28.8008 28.8008 31.5204 31.5204 k = 0.3810 0.4949-0.0000 ( 1151 PWs) bands (ev): -52.0482 -52.0482 -23.6027 -23.6027 -14.1302 -14.1302 -13.8664 -13.8664 11.1009 11.1009 11.7986 11.7986 13.4844 13.4844 17.2397 17.2397 18.9953 18.9953 20.4004 20.4004 22.5329 22.5329 23.4977 23.4977 29.0150 29.0150 31.4785 31.4785 k = 0.3762 0.5031-0.0000 ( 1151 PWs) bands (ev): -52.0480 -52.0480 -23.6032 -23.6032 -14.1291 -14.1291 -13.8703 -13.8703 11.1817 11.1817 11.8232 11.8232 13.3466 13.3466 17.3026 17.3026 18.8806 18.8806 20.5537 20.5537 22.4585 22.4585 23.3778 23.3778 29.2242 29.2242 31.4108 31.4108 k = 0.3714 0.5114-0.0000 ( 1151 PWs) bands (ev): -52.0479 -52.0479 -23.6037 -23.6037 -14.1281 -14.1281 -13.8739 -13.8739 11.2641 11.2641 11.8491 11.8491 13.2092 13.2092 17.3678 17.3678 18.7683 18.7683 20.7093 20.7093 22.3874 22.3874 23.2566 23.2566 29.4273 29.4273 31.3362 31.3362 k = 0.3667 0.5196-0.0000 ( 1151 PWs) bands (ev): -52.0477 -52.0477 -23.6042 -23.6042 -14.1273 -14.1273 -13.8770 -13.8770 11.3476 11.3476 11.8765 11.8765 13.0727 13.0727 17.4352 17.4352 18.6591 18.6591 20.8666 20.8666 22.3198 22.3198 23.1344 23.1344 29.6228 29.6228 31.2586 31.2586 k = 0.3619 0.5279-0.0000 ( 1145 PWs) bands (ev): -52.0476 -52.0476 -23.6045 -23.6045 -14.1266 -14.1266 -13.8798 -13.8798 11.4318 11.4318 11.9054 11.9054 12.9375 12.9375 17.5046 17.5046 18.5531 18.5531 21.0244 21.0244 22.2564 22.2564 23.0117 23.0117 29.8091 29.8091 31.1796 31.1796 k = 0.3571 0.5361-0.0000 ( 1145 PWs) bands (ev): -52.0475 -52.0475 -23.6049 -23.6049 -14.1261 -14.1261 -13.8822 -13.8822 11.5157 11.5157 11.9361 11.9361 12.8041 12.8041 17.5759 17.5759 18.4507 18.4507 21.1811 21.1811 22.1983 22.1983 22.8891 22.8891 29.9841 29.9841 31.0998 31.0998 k = 0.3524 0.5444-0.0000 ( 1145 PWs) bands (ev): -52.0474 -52.0474 -23.6052 -23.6052 -14.1257 -14.1257 -13.8841 -13.8841 11.5983 11.5983 11.9686 11.9686 12.6738 12.6738 17.6488 17.6488 18.3523 18.3523 21.3341 21.3341 22.1475 22.1475 22.7672 22.7672 30.1455 30.1455 31.0203 31.0203 k = 0.3476 0.5526-0.0000 ( 1145 PWs) bands (ev): -52.0473 -52.0473 -23.6055 -23.6055 -14.1254 -14.1254 -13.8856 -13.8856 11.6774 11.6774 12.0024 12.0024 12.5489 12.5489 17.7229 17.7229 18.2584 18.2584 21.4777 21.4777 22.1084 22.1084 22.6475 22.6475 30.2900 30.2900 30.9425 30.9425 k = 0.3429 0.5609-0.0000 ( 1141 PWs) bands (ev): -52.0472 -52.0472 -23.6056 -23.6056 -14.1252 -14.1252 -13.8866 -13.8866 11.7494 11.7494 12.0356 12.0356 12.4352 12.4352 17.7966 17.7966 18.1705 18.1705 21.5997 21.5997 22.0901 22.0901 22.5330 22.5330 30.4127 30.4127 30.8696 30.8696 k = 0.3381 0.5691-0.0000 ( 1137 PWs) bands (ev): -52.0472 -52.0472 -23.6057 -23.6057 -14.1252 -14.1252 -13.8873 -13.8873 11.8068 11.8068 12.0611 12.0611 12.3473 12.3473 17.8644 17.8644 18.0942 18.0942 21.6793 21.6793 22.1044 22.1044 22.4326 22.4326 30.5030 30.5030 30.8104 30.8104 k = 0.3333 0.5774-0.0000 ( 1137 PWs) bands (ev): -52.0472 -52.0472 -23.6057 -23.6057 -14.1251 -14.1251 -13.8875 -13.8875 11.8323 11.8323 12.0680 12.0680 12.3133 12.3133 17.9001 17.9001 18.0556 18.0556 21.7037 21.7037 22.1285 22.1285 22.3820 22.3820 30.5381 30.5381 30.7859 30.7859 k = 0.3333 0.5774-0.0000 ( 1137 PWs) bands (ev): -52.0472 -52.0472 -23.6057 -23.6057 -14.1251 -14.1251 -13.8875 -13.8875 11.8323 11.8323 12.0680 12.0680 12.3133 12.3133 17.9001 17.9001 18.0556 18.0556 21.7037 21.7037 22.1285 22.1285 22.3820 22.3820 30.5381 30.5381 30.7859 30.7859 k = 0.3286 0.5691-0.0000 ( 1139 PWs) bands (ev): -52.0472 -52.0472 -23.6057 -23.6057 -14.1252 -14.1252 -13.8873 -13.8873 11.7998 11.7998 12.0742 12.0742 12.3412 12.3412 17.8649 17.8649 18.0937 18.0937 21.6865 21.6865 22.0884 22.0884 22.4414 22.4414 30.5089 30.5089 30.8041 30.8041 k = 0.3238 0.5609-0.0000 ( 1143 PWs) bands (ev): -52.0472 -52.0472 -23.6056 -23.6056 -14.1252 -14.1252 -13.8867 -13.8867 11.7147 11.7147 12.1005 12.1005 12.4050 12.4050 17.7994 17.7994 18.1676 18.1676 21.6448 21.6448 22.0061 22.0061 22.5715 22.5715 30.4457 30.4457 30.8338 30.8338 k = 0.3190 0.5526-0.0000 ( 1143 PWs) bands (ev): -52.0473 -52.0473 -23.6054 -23.6054 -14.1251 -14.1251 -13.8857 -13.8857 11.6042 11.6042 12.1377 12.1377 12.4867 12.4867 17.7297 17.7297 18.2515 18.2515 21.5854 21.5854 21.9210 21.9210 22.7259 22.7259 30.3705 30.3705 30.8530 30.8530 k = 0.3143 0.5444-0.0000 ( 1143 PWs) bands (ev): -52.0474 -52.0474 -23.6051 -23.6051 -14.1250 -14.1250 -13.8844 -13.8844 11.4835 11.4835 12.1787 12.1787 12.5782 12.5782 17.6611 17.6611 18.3397 18.3397 21.5097 21.5097 21.8461 21.8461 22.8900 22.8900 30.2908 30.2908 30.8546 30.8546 k = 0.3095 0.5361-0.0000 ( 1147 PWs) bands (ev): -52.0475 -52.0475 -23.6047 -23.6047 -14.1248 -14.1248 -13.8828 -13.8828 11.3582 11.3582 12.2212 12.2212 12.6761 12.6761 17.5951 17.5951 18.4309 18.4309 21.4191 21.4191 21.7851 21.7851 23.0582 23.0582 30.2091 30.2091 30.8371 30.8371 k = 0.3048 0.5279-0.0000 ( 1145 PWs) bands (ev): -52.0477 -52.0477 -23.6042 -23.6042 -14.1243 -14.1243 -13.8809 -13.8809 11.2308 11.2308 12.2647 12.2647 12.7783 12.7783 17.5323 17.5323 18.5243 18.5243 21.3168 21.3168 21.7370 21.7370 23.2279 23.2279 30.1268 30.1268 30.8008 30.8008 k = 0.3000 0.5196-0.0000 ( 1149 PWs) bands (ev): -52.0479 -52.0479 -23.6036 -23.6036 -14.1237 -14.1237 -13.8787 -13.8787 11.1026 11.1026 12.3091 12.3091 12.8837 12.8837 17.4729 17.4729 18.6198 18.6198 21.2069 21.2069 21.6990 21.6990 23.3974 23.3974 30.0443 30.0443 30.7472 30.7472 k = 0.2952 0.5114-0.0000 ( 1149 PWs) bands (ev): -52.0481 -52.0481 -23.6029 -23.6029 -14.1229 -14.1229 -13.8763 -13.8763 10.9742 10.9742 12.3546 12.3546 12.9916 12.9916 17.4170 17.4170 18.7169 18.7169 21.0924 21.0924 21.6689 21.6689 23.5652 23.5652 29.9621 29.9621 30.6778 30.6778 k = 0.2905 0.5031-0.0000 ( 1149 PWs) bands (ev): -52.0483 -52.0483 -23.6021 -23.6021 -14.1218 -14.1218 -13.8736 -13.8736 10.8459 10.8459 12.4011 12.4011 13.1014 13.1014 17.3647 17.3647 18.8157 18.8157 20.9755 20.9755 21.6449 21.6449 23.7302 23.7302 29.8805 29.8805 30.5948 30.5948 k = 0.2857 0.4949-0.0000 ( 1151 PWs) bands (ev): -52.0486 -52.0486 -23.6012 -23.6012 -14.1204 -14.1204 -13.8708 -13.8708 10.7181 10.7181 12.4488 12.4488 13.2128 13.2128 17.3160 17.3160 18.9157 18.9157 20.8575 20.8575 21.6262 21.6262 23.8912 23.8912 29.7996 29.7996 30.5000 30.5000 k = 0.2810 0.4866-0.0000 ( 1151 PWs) bands (ev): -52.0489 -52.0489 -23.6002 -23.6002 -14.1186 -14.1186 -13.8678 -13.8678 10.5908 10.5908 12.4978 12.4978 13.3255 13.3255 17.2710 17.2710 19.0169 19.0169 20.7393 20.7393 21.6122 21.6122 24.0469 24.0469 29.7198 29.7198 30.3953 30.3953 k = 0.2762 0.4784-0.0000 ( 1147 PWs) bands (ev): -52.0493 -52.0493 -23.5990 -23.5990 -14.1165 -14.1165 -13.8646 -13.8646 10.4643 10.4643 12.5480 12.5480 13.4393 13.4393 17.2297 17.2297 19.1189 19.1189 20.6219 20.6219 21.6025 21.6025 24.1960 24.1960 29.6410 29.6410 30.2828 30.2828 k = 0.2714 0.4701-0.0000 ( 1147 PWs) bands (ev): -52.0497 -52.0497 -23.5978 -23.5978 -14.1141 -14.1141 -13.8613 -13.8613 10.3387 10.3387 12.5996 12.5996 13.5540 13.5540 17.1921 17.1921 19.2211 19.2211 20.5060 20.5060 21.5969 21.5969 24.3372 24.3372 29.5634 29.5634 30.1641 30.1641 k = 0.2667 0.4619-0.0000 ( 1147 PWs) bands (ev): -52.0501 -52.0501 -23.5964 -23.5964 -14.1113 -14.1113 -13.8579 -13.8579 10.2139 10.2139 12.6527 12.6527 13.6693 13.6693 17.1581 17.1581 19.3228 19.3228 20.3926 20.3926 21.5951 21.5951 24.4690 24.4690 29.4871 29.4871 30.0409 30.0409 k = 0.2619 0.4536-0.0000 ( 1147 PWs) bands (ev): -52.0506 -52.0506 -23.5949 -23.5949 -14.1080 -14.1080 -13.8545 -13.8545 10.0901 10.0901 12.7071 12.7071 13.7852 13.7852 17.1278 17.1278 19.4224 19.4224 20.2834 20.2834 21.5971 21.5971 24.5898 24.5898 29.4122 29.4122 29.9146 29.9146 k = 0.2571 0.4454-0.0000 ( 1143 PWs) bands (ev): -52.0510 -52.0510 -23.5933 -23.5933 -14.1043 -14.1043 -13.8509 -13.8509 9.9674 9.9674 12.7630 12.7630 13.9015 13.9015 17.1011 17.1011 19.5166 19.5166 20.1817 20.1817 21.6028 21.6028 24.6982 24.6982 29.3387 29.3387 29.7865 29.7865 k = 0.2524 0.4371-0.0000 ( 1147 PWs) bands (ev): -52.0516 -52.0516 -23.5916 -23.5916 -14.1003 -14.1003 -13.8474 -13.8474 9.8458 9.8458 12.8204 12.8204 14.0179 14.0179 17.0781 17.0781 19.5975 19.5975 20.0954 20.0954 21.6122 21.6122 24.7927 24.7927 29.2663 29.2663 29.6576 29.6576 k = 0.2476 0.4289-0.0000 ( 1141 PWs) bands (ev): -52.0521 -52.0521 -23.5898 -23.5898 -14.0957 -14.0957 -13.8437 -13.8437 9.7253 9.7253 12.8793 12.8793 14.1345 14.1345 17.0587 17.0587 19.6461 19.6461 20.0437 20.0437 21.6251 21.6251 24.8720 24.8720 29.1949 29.1949 29.5286 29.5286 k = 0.2429 0.4206-0.0000 ( 1145 PWs) bands (ev): -52.0527 -52.0527 -23.5879 -23.5879 -14.0907 -14.0907 -13.8400 -13.8400 9.6060 9.6060 12.9397 12.9397 14.2509 14.2509 17.0430 17.0430 19.6369 19.6369 20.0520 20.0520 21.6416 21.6416 24.9348 24.9348 29.1234 29.1234 29.4005 29.4005 k = 0.2381 0.4124-0.0000 ( 1145 PWs) bands (ev): -52.0533 -52.0533 -23.5858 -23.5858 -14.0853 -14.0853 -13.8363 -13.8363 9.4879 9.4879 13.0017 13.0017 14.3671 14.3671 17.0308 17.0308 19.5759 19.5759 20.1142 20.1142 21.6616 21.6616 24.9804 24.9804 29.0499 29.0499 29.2752 29.2752 k = 0.2333 0.4041-0.0000 ( 1143 PWs) bands (ev): -52.0540 -52.0540 -23.5837 -23.5837 -14.0795 -14.0795 -13.8326 -13.8326 9.3711 9.3711 13.0653 13.0653 14.4828 14.4828 17.0222 17.0222 19.4899 19.4899 20.2034 20.2034 21.6850 21.6850 25.0086 25.0086 28.9697 28.9697 29.1570 29.1570 k = 0.2286 0.3959-0.0000 ( 1145 PWs) bands (ev): -52.0547 -52.0547 -23.5814 -23.5814 -14.0732 -14.0732 -13.8289 -13.8289 9.2556 9.2556 13.1304 13.1304 14.5979 14.5979 17.0171 17.0171 19.3941 19.3941 20.3045 20.3045 21.7119 21.7119 25.0193 25.0193 28.8748 28.8748 29.0539 29.0539 k = 0.2238 0.3876-0.0000 ( 1145 PWs) bands (ev): -52.0554 -52.0554 -23.5791 -23.5791 -14.0665 -14.0665 -13.8252 -13.8252 9.1415 9.1415 13.1971 13.1971 14.7123 14.7123 17.0156 17.0156 19.2946 19.2946 20.4111 20.4111 21.7421 21.7421 25.0134 25.0134 28.7604 28.7604 28.9709 28.9709 k = 0.2190 0.3794-0.0000 ( 1145 PWs) bands (ev): -52.0561 -52.0561 -23.5766 -23.5766 -14.0594 -14.0594 -13.8215 -13.8215 9.0287 9.0287 13.2653 13.2653 14.8257 14.8257 17.0175 17.0175 19.1940 19.1940 20.5207 20.5207 21.7757 21.7757 24.9919 24.9919 28.6307 28.6307 28.9041 28.9041 k = 0.2143 0.3712-0.0000 ( 1145 PWs) bands (ev): -52.0569 -52.0569 -23.5741 -23.5741 -14.0518 -14.0518 -13.8178 -13.8178 8.9173 8.9173 13.3352 13.3352 14.9378 14.9378 17.0229 17.0229 19.0935 19.0935 20.6319 20.6319 21.8127 21.8127 24.9564 24.9564 28.4922 28.4922 28.8475 28.8475 k = 0.2095 0.3629-0.0000 ( 1143 PWs) bands (ev): -52.0577 -52.0577 -23.5715 -23.5715 -14.0439 -14.0439 -13.8141 -13.8141 8.8074 8.8074 13.4066 13.4066 15.0486 15.0486 17.0316 17.0316 18.9938 18.9938 20.7439 20.7439 21.8529 21.8529 24.9087 24.9087 28.3486 28.3486 28.7978 28.7978 k = 0.2048 0.3547-0.0000 ( 1137 PWs) bands (ev): -52.0585 -52.0585 -23.5687 -23.5687 -14.0355 -14.0355 -13.8103 -13.8103 8.6990 8.6990 13.4796 13.4796 15.1578 15.1578 17.0437 17.0437 18.8952 18.8952 20.8561 20.8561 21.8964 21.8964 24.8508 24.8508 28.2020 28.2020 28.7537 28.7537 k = 0.2000 0.3464-0.0000 ( 1137 PWs) bands (ev): -52.0593 -52.0593 -23.5659 -23.5659 -14.0269 -14.0269 -13.8066 -13.8066 8.5922 8.5922 13.5541 13.5541 15.2651 15.2651 17.0592 17.0592 18.7980 18.7980 20.9681 20.9681 21.9432 21.9432 24.7849 24.7849 28.0536 28.0536 28.7145 28.7145 k = 0.1952 0.3382-0.0000 ( 1147 PWs) bands (ev): -52.0602 -52.0602 -23.5631 -23.5631 -14.0180 -14.0180 -13.8030 -13.8030 8.4869 8.4869 13.6300 13.6300 15.3703 15.3703 17.0778 17.0778 18.7024 18.7024 21.0796 21.0796 21.9931 21.9931 24.7129 24.7129 27.9039 27.9039 28.6801 28.6801 k = 0.1905 0.3299-0.0000 ( 1151 PWs) bands (ev): -52.0611 -52.0611 -23.5602 -23.5602 -14.0087 -14.0087 -13.7993 -13.7993 8.3832 8.3832 13.7076 13.7076 15.4732 15.4732 17.0997 17.0997 18.6086 18.6086 21.1902 21.1902 22.0461 22.0461 24.6368 24.6368 27.7536 27.7536 28.6503 28.6503 k = 0.1857 0.3217-0.0000 ( 1151 PWs) bands (ev): -52.0620 -52.0620 -23.5573 -23.5573 -13.9992 -13.9992 -13.7955 -13.7955 8.2812 8.2812 13.7865 13.7865 15.5734 15.5734 17.1247 17.1247 18.5166 18.5166 21.2997 21.2997 22.1023 22.1023 24.5585 24.5585 27.6030 27.6030 28.6252 28.6252 k = 0.1810 0.3134-0.0000 ( 1151 PWs) bands (ev): -52.0630 -52.0630 -23.5542 -23.5542 -13.9894 -13.9894 -13.7918 -13.7918 8.1808 8.1808 13.8669 13.8669 15.6707 15.6707 17.1528 17.1528 18.4264 18.4264 21.4079 21.4079 22.1616 22.1616 24.4797 24.4797 27.4523 27.4523 28.6050 28.6050 k = 0.1762 0.3052-0.0000 ( 1155 PWs) bands (ev): -52.0639 -52.0639 -23.5512 -23.5512 -13.9794 -13.9794 -13.7880 -13.7880 8.0822 8.0822 13.9487 13.9487 15.7649 15.7649 17.1840 17.1840 18.3383 18.3383 21.5143 21.5143 22.2238 22.2238 24.4018 24.4018 27.3018 27.3018 28.5898 28.5898 k = 0.1714 0.2969-0.0000 ( 1155 PWs) bands (ev): -52.0648 -52.0648 -23.5480 -23.5480 -13.9693 -13.9693 -13.7842 -13.7842 7.9854 7.9854 14.0319 14.0319 15.8556 15.8556 17.2180 17.2180 18.2522 18.2522 21.6189 21.6189 22.2890 22.2890 24.3264 24.3264 27.1517 27.1517 28.5798 28.5798 k = 0.1667 0.2887-0.0000 ( 1151 PWs) bands (ev): -52.0658 -52.0658 -23.5448 -23.5448 -13.9591 -13.9591 -13.7802 -13.7802 7.8903 7.8903 14.1163 14.1163 15.9427 15.9427 17.2549 17.2549 18.1682 18.1682 21.7212 21.7212 22.3570 22.3570 24.2547 24.2547 27.0020 27.0020 28.5750 28.5750 k = 0.1619 0.2804-0.0000 ( 1151 PWs) bands (ev): -52.0668 -52.0668 -23.5416 -23.5416 -13.9488 -13.9488 -13.7762 -13.7762 7.7972 7.7972 14.2019 14.2019 16.0257 16.0257 17.2945 17.2945 18.0863 18.0863 21.8212 21.8212 22.4278 22.4278 24.1877 24.1877 26.8530 26.8530 28.5756 28.5756 k = 0.1571 0.2722-0.0000 ( 1155 PWs) bands (ev): -52.0677 -52.0677 -23.5385 -23.5385 -13.9386 -13.9386 -13.7720 -13.7720 7.7059 7.7059 14.2887 14.2887 16.1045 16.1045 17.3368 17.3368 18.0067 18.0067 21.9186 21.9186 22.5012 22.5012 24.1265 24.1265 26.7048 26.7048 28.5819 28.5819 k = 0.1524 0.2639-0.0000 ( 1155 PWs) bands (ev): -52.0687 -52.0687 -23.5352 -23.5352 -13.9284 -13.9284 -13.7677 -13.7677 7.6166 7.6166 14.3765 14.3765 16.1787 16.1787 17.3815 17.3815 17.9294 17.9294 22.0131 22.0131 22.5772 22.5772 24.0721 24.0721 26.5574 26.5574 28.5938 28.5938 k = 0.1476 0.2557-0.0000 ( 1155 PWs) bands (ev): -52.0697 -52.0697 -23.5320 -23.5320 -13.9183 -13.9183 -13.7632 -13.7632 7.5294 7.5294 14.4653 14.4653 16.2483 16.2483 17.4285 17.4285 17.8546 17.8546 22.1047 22.1047 22.6555 22.6555 24.0251 24.0251 26.4109 26.4109 28.6116 28.6116 k = 0.1429 0.2474-0.0000 ( 1151 PWs) bands (ev): -52.0707 -52.0707 -23.5288 -23.5288 -13.9085 -13.9085 -13.7584 -13.7584 7.4441 7.4441 14.5550 14.5550 16.3130 16.3130 17.4773 17.4773 17.7827 17.7827 22.1930 22.1930 22.7362 22.7362 23.9864 23.9864 26.2656 26.2656 28.6352 28.6352 k = 0.1381 0.2392-0.0000 ( 1151 PWs) bands (ev): -52.0716 -52.0716 -23.5255 -23.5255 -13.8989 -13.8989 -13.7534 -13.7534 7.3610 7.3610 14.6454 14.6454 16.3727 16.3727 17.5264 17.5264 17.7150 17.7150 22.2781 22.2781 22.8190 22.8190 23.9565 23.9565 26.1214 26.1214 28.6648 28.6648 k = 0.1333 0.2309-0.0000 ( 1151 PWs) bands (ev): -52.0726 -52.0726 -23.5223 -23.5223 -13.8897 -13.8897 -13.7480 -13.7480 7.2800 7.2800 14.7364 14.7364 16.4271 16.4271 17.5679 17.5679 17.6595 17.6595 22.3597 22.3597 22.9037 22.9037 23.9358 23.9358 25.9785 25.9785 28.7002 28.7002 k = 0.1286 0.2227-0.0000 ( 1151 PWs) bands (ev): -52.0736 -52.0736 -23.5192 -23.5192 -13.8809 -13.8809 -13.7424 -13.7424 7.2012 7.2012 14.8279 14.8279 16.4764 16.4764 17.5546 17.5546 17.6630 17.6630 22.4376 22.4376 22.9903 22.9903 23.9249 23.9249 25.8371 25.8371 28.7414 28.7414 k = 0.1238 0.2144-0.0000 ( 1155 PWs) bands (ev): -52.0745 -52.0745 -23.5161 -23.5161 -13.8726 -13.8726 -13.7363 -13.7363 7.1247 7.1247 14.9197 14.9197 16.5204 16.5204 17.4996 17.4996 17.7126 17.7126 22.5119 22.5119 23.0786 23.0786 23.9240 23.9240 25.6971 25.6971 28.7880 28.7880 k = 0.1190 0.2062-0.0000 ( 1159 PWs) bands (ev): -52.0755 -52.0755 -23.5130 -23.5130 -13.8648 -13.8648 -13.7299 -13.7299 7.0504 7.0504 15.0117 15.0117 16.5593 16.5593 17.4405 17.4405 17.7705 17.7705 22.5824 22.5824 23.1685 23.1685 23.9334 23.9334 25.5589 25.5589 28.8393 28.8393 k = 0.1143 0.1979-0.0000 ( 1155 PWs) bands (ev): -52.0764 -52.0764 -23.5099 -23.5099 -13.8575 -13.8575 -13.7231 -13.7231 6.9786 6.9786 15.1037 15.1037 16.5930 16.5930 17.3823 17.3823 17.8314 17.8314 22.6490 22.6490 23.2598 23.2598 23.9533 23.9533 25.4225 25.4225 28.8873 28.8873 k = 0.1095 0.1897-0.0000 ( 1157 PWs) bands (ev): -52.0773 -52.0773 -23.5070 -23.5070 -13.8508 -13.8508 -13.7160 -13.7160 6.9091 6.9091 15.1955 15.1955 16.6219 16.6219 17.3260 17.3260 17.8944 17.8944 22.7116 22.7116 23.3524 23.3524 23.9836 23.9836 25.2881 25.2881 28.8573 28.8573 k = 0.1048 0.1815-0.0000 ( 1157 PWs) bands (ev): -52.0782 -52.0782 -23.5041 -23.5041 -13.8447 -13.8447 -13.7085 -13.7085 6.8421 6.8421 15.2868 15.2868 16.6459 16.6459 17.2718 17.2718 17.9590 17.9590 22.7704 22.7704 23.4463 23.4463 24.0243 24.0243 25.1559 25.1559 28.7725 28.7725 k = 0.1000 0.1732-0.0000 ( 1157 PWs) bands (ev): -52.0791 -52.0791 -23.5012 -23.5012 -13.8392 -13.8392 -13.7008 -13.7008 6.7776 6.7776 15.3774 15.3774 16.6655 16.6655 17.2200 17.2200 18.0248 18.0248 22.8251 22.8251 23.5413 23.5413 24.0751 24.0751 25.0263 25.0263 28.6626 28.6626 k = 0.0952 0.1650-0.0000 ( 1157 PWs) bands (ev): -52.0799 -52.0799 -23.4984 -23.4984 -13.8343 -13.8343 -13.6928 -13.6928 6.7157 6.7157 15.4670 15.4670 16.6809 16.6809 17.1705 17.1705 18.0916 18.0916 22.8759 22.8759 23.6376 23.6376 24.1356 24.1356 24.8995 24.8995 28.5199 28.5199 k = 0.0905 0.1567-0.0000 ( 1153 PWs) bands (ev): -52.0807 -52.0807 -23.4957 -23.4957 -13.8298 -13.8298 -13.6847 -13.6847 6.6564 6.6564 15.5555 15.5555 16.6924 16.6924 17.1234 17.1234 18.1591 18.1591 22.9229 22.9229 23.7350 23.7350 24.2053 24.2053 24.7760 24.7760 28.3587 28.3587 k = 0.0857 0.1485-0.0000 ( 1153 PWs) bands (ev): -52.0815 -52.0815 -23.4932 -23.4932 -13.8258 -13.8258 -13.6765 -13.6765 6.5998 6.5998 15.6424 15.6424 16.7005 16.7005 17.0789 17.0789 18.2270 18.2270 22.9659 22.9659 23.8337 23.8337 24.2831 24.2831 24.6568 24.6568 28.1937 28.1937 k = 0.0810 0.1402-0.0000 ( 1153 PWs) bands (ev): -52.0823 -52.0823 -23.4907 -23.4907 -13.8222 -13.8222 -13.6683 -13.6683 6.5459 6.5459 15.7275 15.7275 16.7054 16.7054 17.0368 17.0368 18.2951 18.2951 23.0052 23.0052 23.9332 23.9332 24.3659 24.3659 24.5452 24.5452 28.0302 28.0302 k = 0.0762 0.1320-0.0000 ( 1153 PWs) bands (ev): -52.0830 -52.0830 -23.4883 -23.4883 -13.8191 -13.8191 -13.6601 -13.6601 6.4948 6.4948 15.8104 15.8104 16.7076 16.7076 16.9973 16.9973 18.3630 18.3630 23.0407 23.0407 24.0319 24.0319 24.4054 24.4054 24.4910 24.4910 27.8708 27.8708 k = 0.0714 0.1237-0.0000 ( 1151 PWs) bands (ev): -52.0837 -52.0837 -23.4860 -23.4860 -13.8163 -13.8163 -13.6521 -13.6521 6.4465 6.4465 15.8906 15.8906 16.7075 16.7075 16.9603 16.9603 18.4304 18.4304 23.0725 23.0725 24.1206 24.1206 24.3296 24.3296 24.5756 24.5756 27.7165 27.7165 k = 0.0667 0.1155-0.0000 ( 1151 PWs) bands (ev): -52.0843 -52.0843 -23.4839 -23.4839 -13.8138 -13.8138 -13.6444 -13.6444 6.4010 6.4010 15.9679 15.9679 16.7056 16.7056 16.9259 16.9259 18.4970 18.4970 23.1007 23.1007 24.1410 24.1410 24.3153 24.3153 24.6801 24.6801 27.5684 27.5684 k = 0.0619 0.1072-0.0000 ( 1151 PWs) bands (ev): -52.0849 -52.0849 -23.4818 -23.4818 -13.8116 -13.8116 -13.6369 -13.6369 6.3585 6.3585 16.0417 16.0417 16.7023 16.7023 16.8941 16.8941 18.5622 18.5622 23.1252 23.1252 24.0697 24.0697 24.3994 24.3994 24.7914 24.7914 27.4272 27.4272 k = 0.0571 0.0990-0.0000 ( 1151 PWs) bands (ev): -52.0855 -52.0855 -23.4799 -23.4799 -13.8096 -13.8096 -13.6297 -13.6297 6.3189 6.3189 16.1116 16.1116 16.6980 16.6980 16.8649 16.8649 18.6257 18.6257 23.1460 23.1460 23.9821 23.9821 24.5079 24.5079 24.9077 24.9077 27.2934 27.2934 k = 0.0524 0.0907-0.0000 ( 1153 PWs) bands (ev): -52.0861 -52.0861 -23.4782 -23.4782 -13.8079 -13.8079 -13.6229 -13.6229 6.2824 6.2824 16.1770 16.1770 16.6934 16.6934 16.8383 16.8383 18.6871 18.6871 23.1630 23.1630 23.8963 23.8963 24.6241 24.6241 25.0283 25.0283 27.1678 27.1678 k = 0.0476 0.0825-0.0000 ( 1153 PWs) bands (ev): -52.0866 -52.0866 -23.4766 -23.4766 -13.8064 -13.8064 -13.6166 -13.6166 6.2489 6.2489 16.2373 16.2373 16.6888 16.6888 16.8142 16.8142 18.7457 18.7457 23.1760 23.1760 23.8159 23.8159 24.7448 24.7448 25.1527 25.1527 27.0508 27.0508 k = 0.0429 0.0742-0.0000 ( 1157 PWs) bands (ev): -52.0870 -52.0870 -23.4751 -23.4751 -13.8051 -13.8051 -13.6107 -13.6107 6.2184 6.2184 16.2920 16.2920 16.6849 16.6849 16.7927 16.7927 18.8012 18.8012 23.1848 23.1848 23.7428 23.7428 24.8692 24.8692 25.2803 25.2803 26.9430 26.9430 k = 0.0381 0.0660-0.0000 ( 1161 PWs) bands (ev): -52.0874 -52.0874 -23.4738 -23.4738 -13.8040 -13.8040 -13.6054 -13.6054 6.1911 6.1911 16.3404 16.3404 16.6823 16.6823 16.7737 16.7737 18.8529 18.8529 23.1892 23.1892 23.6782 23.6782 24.9967 24.9967 25.4109 25.4109 26.8447 26.8447 k = 0.0333 0.0577-0.0000 ( 1161 PWs) bands (ev): -52.0878 -52.0878 -23.4726 -23.4726 -13.8030 -13.8030 -13.6006 -13.6006 6.1669 6.1669 16.3817 16.3817 16.6815 16.6815 16.7572 16.7572 18.9003 18.9003 23.1890 23.1890 23.6231 23.6231 25.1270 25.1270 25.5440 25.5440 26.7565 26.7565 k = 0.0286 0.0495-0.0000 ( 1161 PWs) bands (ev): -52.0881 -52.0881 -23.4716 -23.4716 -13.8022 -13.8022 -13.5964 -13.5964 6.1459 6.1459 16.4157 16.4157 16.6829 16.6829 16.7430 16.7430 18.9428 18.9428 23.1843 23.1843 23.5780 23.5780 25.2598 25.2598 25.6795 25.6795 26.6784 26.6784 k = 0.0238 0.0412-0.0000 ( 1161 PWs) bands (ev): -52.0884 -52.0884 -23.4707 -23.4707 -13.8015 -13.8015 -13.5928 -13.5928 6.1280 6.1280 16.4422 16.4422 16.6865 16.6865 16.7311 16.7311 18.9799 18.9799 23.1760 23.1760 23.5430 23.5430 25.3948 25.3948 25.8169 25.8169 26.6101 26.6101 k = 0.0190 0.0330-0.0000 ( 1165 PWs) bands (ev): -52.0886 -52.0886 -23.4700 -23.4700 -13.8010 -13.8010 -13.5898 -13.5898 6.1134 6.1134 16.4617 16.4617 16.6918 16.6918 16.7215 16.7215 19.0111 19.0111 23.1653 23.1653 23.5171 23.5171 25.5318 25.5318 25.9560 25.9560 26.5492 26.5492 k = 0.0143 0.0247-0.0000 ( 1165 PWs) bands (ev): -52.0888 -52.0888 -23.4694 -23.4694 -13.8006 -13.8006 -13.5875 -13.5875 6.1020 6.1020 16.4750 16.4750 16.6978 16.6978 16.7140 16.7140 19.0359 19.0359 23.1543 23.1543 23.4992 23.4992 25.6704 25.6704 26.0966 26.0966 26.4807 26.4807 k = 0.0095 0.0165-0.0000 ( 1165 PWs) bands (ev): -52.0889 -52.0889 -23.4690 -23.4690 -13.8003 -13.8003 -13.5858 -13.5858 6.0939 6.0939 16.4834 16.4834 16.7032 16.7032 16.7087 16.7087 19.0539 19.0539 23.1448 23.1448 23.4876 23.4876 25.8103 25.8103 26.2380 26.2380 26.3694 26.3694 k = 0.0048 0.0082-0.0000 ( 1169 PWs) bands (ev): -52.0890 -52.0890 -23.4688 -23.4688 -13.8001 -13.8001 -13.5848 -13.5848 6.0890 6.0890 16.4880 16.4880 16.7055 16.7055 16.7071 16.7071 19.0648 19.0648 23.1384 23.1384 23.4812 23.4812 25.9511 25.9511 26.2328 26.2328 26.3814 26.3814 k = 0.0000 0.0000 0.0000 ( 1177 PWs) bands (ev): -52.0890 -52.0890 -23.4688 -23.4688 -13.8001 -13.8001 -13.5845 -13.5845 6.0874 6.0874 16.4894 16.4894 16.7045 16.7045 16.7084 16.7084 19.0684 19.0684 23.1362 23.1362 23.4792 23.4792 26.0858 26.0858 26.0990 26.0990 26.4761 26.4761 k = 0.0000 0.0000 0.0000 ( 1177 PWs) bands (ev): -52.0890 -52.0890 -23.4688 -23.4688 -13.8001 -13.8001 -13.5845 -13.5845 6.0874 6.0874 16.4894 16.4894 16.7045 16.7045 16.7084 16.7084 19.0684 19.0684 23.1362 23.1362 23.4792 23.4792 26.0858 26.0858 26.0990 26.0990 26.4761 26.4761 k = 0.0000 0.0000 0.0095 ( 1165 PWs) bands (ev): -52.0890 -52.0890 -23.4687 -23.4687 -13.8004 -13.8004 -13.5844 -13.5844 6.0893 6.0893 16.4907 16.4907 16.6992 16.6992 16.7097 16.7097 19.0725 19.0725 23.1249 23.1249 23.4675 23.4675 26.0931 26.0931 26.1001 26.1001 26.4758 26.4758 k = 0.0000 0.0000 0.0190 ( 1165 PWs) bands (ev): -52.0889 -52.0889 -23.4689 -23.4689 -13.8014 -13.8014 -13.5843 -13.5843 6.0952 6.0952 16.4946 16.4946 16.6835 16.6835 16.7137 16.7137 19.0847 19.0847 23.0918 23.0918 23.4330 23.4330 26.0756 26.0756 26.1422 26.1422 26.4747 26.4747 k = 0.0000 0.0000 0.0286 ( 1165 PWs) bands (ev): -52.0889 -52.0889 -23.4692 -23.4692 -13.8031 -13.8031 -13.5840 -13.5840 6.1050 6.1050 16.5011 16.5011 16.6575 16.6575 16.7202 16.7202 19.1048 19.1048 23.0386 23.0386 23.3776 23.3776 26.0480 26.0480 26.2104 26.2104 26.4730 26.4730 k = 0.0000 0.0000 0.0381 ( 1159 PWs) bands (ev): -52.0887 -52.0887 -23.4696 -23.4696 -13.8055 -13.8055 -13.5837 -13.5837 6.1186 6.1186 16.5103 16.5103 16.6217 16.6217 16.7294 16.7294 19.1325 19.1325 22.9680 22.9680 23.3039 23.3039 26.0113 26.0113 26.3021 26.3021 26.4499 26.4499 k = 0.0000 0.0000 0.0476 ( 1159 PWs) bands (ev): -52.0886 -52.0886 -23.4702 -23.4702 -13.8085 -13.8085 -13.5832 -13.5832 6.1362 6.1362 16.5220 16.5220 16.5766 16.5766 16.7412 16.7412 19.1673 19.1673 22.8828 22.8828 23.2150 23.2150 25.9660 25.9660 26.4049 26.4049 26.4143 26.4143 k = 0.0000 0.0000 0.0571 ( 1159 PWs) bands (ev): -52.0884 -52.0884 -23.4708 -23.4708 -13.8122 -13.8122 -13.5827 -13.5827 6.1576 6.1576 16.5227 16.5227 16.5363 16.5363 16.7557 16.7557 19.2089 19.2089 22.7859 22.7859 23.1137 23.1137 25.9124 25.9124 26.3506 26.3506 26.4635 26.4635 k = 0.0000 0.0000 0.0666 ( 1159 PWs) bands (ev): -52.0882 -52.0882 -23.4716 -23.4716 -13.8165 -13.8165 -13.5821 -13.5821 6.1828 6.1828 16.4607 16.4607 16.5532 16.5532 16.7727 16.7727 19.2566 19.2566 22.6799 22.6799 23.0028 23.0028 25.8507 25.8507 26.2872 26.2872 26.4590 26.4590 k = 0.0000 0.0000 0.0762 ( 1159 PWs) bands (ev): -52.0880 -52.0880 -23.4725 -23.4725 -13.8214 -13.8214 -13.5814 -13.5814 6.2118 6.2118 16.3911 16.3911 16.5728 16.5728 16.7924 16.7924 19.3102 19.3102 22.5671 22.5671 22.8845 22.8845 25.7811 25.7811 26.2153 26.2153 26.4539 26.4539 k = 0.0000 0.0000 0.0857 ( 1159 PWs) bands (ev): -52.0877 -52.0877 -23.4735 -23.4735 -13.8269 -13.8269 -13.5807 -13.5807 6.2445 6.2445 16.3145 16.3145 16.5949 16.5949 16.8147 16.8147 19.3690 19.3690 22.4494 22.4494 22.7609 22.7609 25.7041 25.7041 26.1353 26.1353 26.4482 26.4482 k = 0.0000 0.0000 0.0952 ( 1165 PWs) bands (ev): -52.0875 -52.0875 -23.4747 -23.4747 -13.8330 -13.8330 -13.5798 -13.5798 6.2810 6.2810 16.2315 16.2315 16.6196 16.6196 16.8396 16.8396 19.4328 19.4328 22.3283 22.3283 22.6335 22.6335 25.6198 25.6198 26.0475 26.0475 26.4419 26.4419 k = 0.0000 0.0000 0.1047 ( 1165 PWs) bands (ev): -52.0872 -52.0872 -23.4759 -23.4759 -13.8397 -13.8397 -13.5789 -13.5789 6.3211 6.3211 16.1426 16.1426 16.6469 16.6469 16.8671 16.8671 19.5011 19.5011 22.2053 22.2053 22.5036 22.5036 25.5288 25.5288 25.9526 25.9526 26.4350 26.4350 k = 0.0000 0.0000 0.1142 ( 1165 PWs) bands (ev): -52.0868 -52.0868 -23.4772 -23.4772 -13.8468 -13.8468 -13.5779 -13.5779 6.3648 6.3648 16.0484 16.0484 16.6767 16.6767 16.8972 16.8972 19.5735 19.5735 22.0813 22.0813 22.3723 22.3723 25.4313 25.4313 25.8509 25.8509 26.4275 26.4275 k = 0.0000 0.0000 0.1238 ( 1165 PWs) bands (ev): -52.0865 -52.0865 -23.4786 -23.4786 -13.8544 -13.8544 -13.5768 -13.5768 6.4120 6.4120 15.9492 15.9492 16.7092 16.7092 16.9299 16.9299 19.6499 19.6499 21.9573 21.9573 22.2404 22.2404 25.3278 25.3278 25.7430 25.7430 26.4196 26.4196 k = 0.0000 0.0000 0.1333 ( 1153 PWs) bands (ev): -52.0860 -52.0860 -23.4800 -23.4800 -13.8624 -13.8624 -13.5756 -13.5756 6.4628 6.4628 15.8455 15.8455 16.7442 16.7442 16.9653 16.9653 19.7297 19.7297 21.8342 21.8342 22.1086 22.1086 25.2188 25.2188 25.6294 25.6294 26.4112 26.4112 k = 0.0000 0.0000 0.1428 ( 1154 PWs) bands (ev): -52.0856 -52.0856 -23.4816 -23.4816 -13.8709 -13.8709 -13.5744 -13.5744 6.5169 6.5169 15.7376 15.7376 16.7818 16.7818 17.0032 17.0032 19.8126 19.8126 21.7126 21.7126 21.9775 21.9775 25.1046 25.1046 25.5104 25.5104 26.4023 26.4023 k = 0.0000 0.0000 0.1523 ( 1154 PWs) bands (ev): -52.0852 -52.0852 -23.4833 -23.4833 -13.8798 -13.8798 -13.5731 -13.5731 6.5744 6.5744 15.6259 15.6259 16.8220 16.8220 17.0437 17.0437 19.8981 19.8981 21.5934 21.5934 21.8477 21.8477 24.9857 24.9857 25.3867 25.3867 26.3930 26.3930 k = 0.0000 0.0000 0.1619 ( 1154 PWs) bands (ev): -52.0848 -52.0848 -23.4850 -23.4850 -13.8891 -13.8891 -13.5718 -13.5718 6.6352 6.6352 15.5107 15.5107 16.8647 16.8647 17.0867 17.0867 19.9856 19.9856 21.4775 21.4775 21.7193 21.7193 24.8625 24.8625 25.2586 25.2586 26.3834 26.3834 k = 0.0000 0.0000 0.1714 ( 1154 PWs) bands (ev): -52.0843 -52.0843 -23.4868 -23.4868 -13.8986 -13.8986 -13.5704 -13.5704 6.6992 6.6992 15.3923 15.3923 16.9100 16.9100 17.1324 17.1324 20.0741 20.0741 21.3660 21.3660 21.5929 21.5929 24.7353 24.7353 25.1266 25.1266 26.3734 26.3734 k = 0.0000 0.0000 0.1809 ( 1154 PWs) bands (ev): -52.0838 -52.0838 -23.4887 -23.4887 -13.9085 -13.9085 -13.5690 -13.5690 6.7663 6.7663 15.2711 15.2711 16.9578 16.9578 17.1806 17.1806 20.1622 20.1622 21.2606 21.2606 21.4686 21.4686 24.6047 24.6047 24.9911 24.9911 26.3632 26.3632 k = 0.0000 0.0000 0.1904 ( 1154 PWs) bands (ev): -52.0834 -52.0834 -23.4906 -23.4906 -13.9185 -13.9185 -13.5675 -13.5675 6.8365 6.8365 15.1472 15.1472 17.0081 17.0081 17.2313 17.2313 20.2470 20.2470 21.1641 21.1641 21.3467 21.3467 24.4708 24.4708 24.8525 24.8525 26.3527 26.3527 k = 0.0000 0.0000 0.1999 ( 1154 PWs) bands (ev): -52.0829 -52.0829 -23.4925 -23.4925 -13.9288 -13.9288 -13.5660 -13.5660 6.9096 6.9096 15.0209 15.0209 17.0610 17.0610 17.2846 17.2846 20.3238 20.3238 21.0815 21.0815 21.2274 21.2274 24.3342 24.3342 24.7112 24.7112 26.3420 26.3420 k = 0.0000 0.0000 0.2095 ( 1154 PWs) bands (ev): -52.0824 -52.0824 -23.4945 -23.4945 -13.9393 -13.9393 -13.5645 -13.5645 6.9856 6.9856 14.8926 14.8926 17.1164 17.1164 17.3405 17.3405 20.3837 20.3837 21.0216 21.0216 21.1110 21.1110 24.1951 24.1951 24.5674 24.5674 26.3311 26.3311 k = 0.0000 0.0000 0.2190 ( 1154 PWs) bands (ev): -52.0818 -52.0818 -23.4966 -23.4966 -13.9498 -13.9498 -13.5629 -13.5629 7.0644 7.0644 14.7623 14.7623 17.1742 17.1742 17.3989 17.3989 20.4139 20.4139 20.9971 20.9971 20.9974 20.9974 24.0538 24.0538 24.4216 24.4216 26.3201 26.3201 k = 0.0000 0.0000 0.2285 ( 1136 PWs) bands (ev): -52.0813 -52.0813 -23.4985 -23.4985 -13.9604 -13.9604 -13.5612 -13.5612 7.1459 7.1459 14.6303 14.6303 17.2346 17.2346 17.4598 17.4598 20.4057 20.4057 20.8870 20.8870 21.0171 21.0171 23.9107 23.9107 24.2741 24.2741 26.3090 26.3090 k = 0.0000 0.0000 0.2380 ( 1142 PWs) bands (ev): -52.0808 -52.0808 -23.5006 -23.5006 -13.9711 -13.9711 -13.5597 -13.5597 7.2299 7.2299 14.4969 14.4969 17.2975 17.2975 17.5232 17.5232 20.3639 20.3639 20.7797 20.7797 21.0764 21.0764 23.7660 23.7660 24.1252 24.1252 26.2978 26.2978 k = 0.0000 0.0000 0.2475 ( 1142 PWs) bands (ev): -52.0802 -52.0802 -23.5027 -23.5027 -13.9818 -13.9818 -13.5581 -13.5581 7.3164 7.3164 14.3622 14.3622 17.3628 17.3628 17.5891 17.5891 20.3013 20.3013 20.6757 20.6757 21.1621 21.1621 23.6200 23.6200 23.9750 23.9750 26.2866 26.2866 k = 0.0000 0.0000 0.2571 ( 1142 PWs) bands (ev): -52.0797 -52.0797 -23.5048 -23.5048 -13.9925 -13.9925 -13.5565 -13.5565 7.4053 7.4053 14.2264 14.2264 17.4306 17.4306 17.6574 17.6574 20.2284 20.2284 20.5751 20.5751 21.2639 21.2639 23.4730 23.4730 23.8239 23.8239 26.2755 26.2755 k = 0.0000 0.0000 0.2666 ( 1142 PWs) bands (ev): -52.0792 -52.0792 -23.5069 -23.5069 -14.0030 -14.0030 -13.5549 -13.5549 7.4965 7.4965 14.0898 14.0898 17.5008 17.5008 17.7283 17.7283 20.1509 20.1509 20.4780 20.4780 21.3757 21.3757 23.3250 23.3250 23.6721 23.6721 26.2645 26.2645 k = 0.0000 0.0000 0.2761 ( 1142 PWs) bands (ev): -52.0787 -52.0787 -23.5089 -23.5089 -14.0135 -14.0135 -13.5533 -13.5533 7.5898 7.5898 13.9525 13.9525 17.5735 17.5735 17.8015 17.8015 20.0722 20.0722 20.3845 20.3845 21.4940 21.4940 23.1765 23.1765 23.5199 23.5199 26.2535 26.2535 k = 0.0000 0.0000 0.2856 ( 1142 PWs) bands (ev): -52.0782 -52.0782 -23.5110 -23.5110 -14.0238 -14.0238 -13.5518 -13.5518 7.6852 7.6852 13.8146 13.8146 17.6485 17.6485 17.8772 17.8772 19.9940 19.9940 20.2946 20.2946 21.6169 21.6169 23.0276 23.0276 23.3674 23.3674 26.2427 26.2427 k = 0.0000 0.0000 0.2951 ( 1142 PWs) bands (ev): -52.0776 -52.0776 -23.5130 -23.5130 -14.0339 -14.0339 -13.5502 -13.5502 7.7824 7.7824 13.6765 13.6765 17.7259 17.7259 17.9553 17.9553 19.9173 19.9173 20.2084 20.2084 21.7430 21.7430 22.8785 22.8785 23.2149 23.2149 26.2322 26.2322 k = 0.0000 0.0000 0.3047 ( 1142 PWs) bands (ev): -52.0771 -52.0771 -23.5150 -23.5150 -14.0438 -14.0438 -13.5487 -13.5487 7.8815 7.8815 13.5382 13.5382 17.8056 17.8056 18.0358 18.0358 19.8428 19.8428 20.1260 20.1260 21.8715 21.8715 22.7293 22.7293 23.0626 23.0626 26.2218 26.2218 k = 0.0000 0.0000 0.3142 ( 1130 PWs) bands (ev): -52.0766 -52.0766 -23.5169 -23.5169 -14.0534 -14.0534 -13.5472 -13.5472 7.9821 7.9821 13.4001 13.4001 17.8877 17.8877 18.1186 18.1186 19.7711 19.7711 20.0475 20.0475 22.0015 22.0015 22.5803 22.5803 22.9106 22.9106 26.2117 26.2117 k = 0.0000 0.0000 0.3237 ( 1130 PWs) bands (ev): -52.0762 -52.0762 -23.5187 -23.5187 -14.0628 -14.0628 -13.5458 -13.5458 8.0842 8.0842 13.2623 13.2623 17.9720 17.9720 18.2038 18.2038 19.7022 19.7022 19.9728 19.9728 22.1323 22.1323 22.4316 22.4316 22.7590 22.7590 26.2019 26.2019 k = 0.0000 0.0000 0.3332 ( 1130 PWs) bands (ev): -52.0757 -52.0757 -23.5206 -23.5206 -14.0718 -14.0718 -13.5444 -13.5444 8.1876 8.1876 13.1249 13.1249 18.0586 18.0586 18.2912 18.2912 19.6365 19.6365 19.9021 19.9021 22.2632 22.2632 22.2833 22.2833 22.6081 22.6081 26.1924 26.1924 k = 0.0000 0.0000 0.3427 ( 1130 PWs) bands (ev): -52.0753 -52.0753 -23.5224 -23.5224 -14.0805 -14.0805 -13.5430 -13.5430 8.2920 8.2920 12.9883 12.9883 18.1474 18.1474 18.3809 18.3809 19.5741 19.5741 19.8355 19.8355 22.1356 22.1356 22.3937 22.3937 22.4581 22.4581 26.1833 26.1833 k = 0.0000 0.0000 0.3523 ( 1130 PWs) bands (ev): -52.0748 -52.0748 -23.5241 -23.5241 -14.0888 -14.0888 -13.5418 -13.5418 8.3972 8.3972 12.8526 12.8526 18.2382 18.2382 18.4728 18.4728 19.5151 19.5151 19.7729 19.7729 21.9887 21.9887 22.3090 22.3090 22.5229 22.5229 26.1746 26.1746 k = 0.0000 0.0000 0.3618 ( 1130 PWs) bands (ev): -52.0744 -52.0744 -23.5257 -23.5257 -14.0967 -14.0967 -13.5405 -13.5405 8.5030 8.5030 12.7183 12.7183 18.3311 18.3311 18.5669 18.5669 19.4596 19.4596 19.7146 19.7146 21.8426 21.8426 22.1610 22.1610 22.6502 22.6502 26.1663 26.1663 k = 0.0000 0.0000 0.3713 ( 1130 PWs) bands (ev): -52.0740 -52.0740 -23.5272 -23.5272 -14.1042 -14.1042 -13.5394 -13.5394 8.6091 8.6091 12.5857 12.5857 18.4258 18.4258 18.6630 18.6630 19.4077 19.4077 19.6606 19.6606 21.6975 21.6975 22.0144 22.0144 22.7748 22.7748 26.1585 26.1585 k = 0.0000 0.0000 0.3808 ( 1136 PWs) bands (ev): -52.0737 -52.0737 -23.5287 -23.5287 -14.1112 -14.1112 -13.5383 -13.5383 8.7149 8.7149 12.4551 12.4551 18.5222 18.5222 18.7610 18.7610 19.3595 19.3595 19.6112 19.6112 21.5535 21.5535 21.8692 21.8692 22.8959 22.8959 26.1511 26.1511 k = 0.0000 0.0000 0.3904 ( 1148 PWs) bands (ev): -52.0734 -52.0734 -23.5301 -23.5301 -14.1178 -14.1178 -13.5373 -13.5373 8.8203 8.8203 12.3270 12.3270 18.6201 18.6201 18.8609 18.8609 19.3150 19.3150 19.5665 19.5665 21.4106 21.4106 21.7256 21.7256 23.0125 23.0125 26.1442 26.1442 k = 0.0000 0.0000 0.3999 ( 1148 PWs) bands (ev): -52.0731 -52.0731 -23.5314 -23.5314 -14.1239 -14.1239 -13.5364 -13.5364 8.9244 8.9244 12.2020 12.2020 18.7190 18.7190 18.9626 18.9626 19.2743 19.2743 19.5270 19.5270 21.2692 21.2692 21.5839 21.5839 23.1238 23.1238 26.1379 26.1379 k = 0.0000 0.0000 0.4094 ( 1148 PWs) bands (ev): -52.0728 -52.0728 -23.5325 -23.5325 -14.1294 -14.1294 -13.5355 -13.5355 9.0267 9.0267 12.0808 12.0808 18.8181 18.8181 19.0658 19.0658 19.2373 19.2373 19.4934 19.4934 21.1291 21.1291 21.4443 21.4443 23.2288 23.2288 26.1321 26.1321 k = 0.0000 0.0000 0.4189 ( 1148 PWs) bands (ev): -52.0725 -52.0725 -23.5336 -23.5336 -14.1344 -14.1344 -13.5347 -13.5347 9.1262 9.1262 11.9644 11.9644 18.9161 18.9161 19.1702 19.1702 19.2042 19.2042 19.4670 19.4670 20.9907 20.9907 21.3073 21.3073 23.3265 23.3265 26.1268 26.1268 k = 0.0000 0.0000 0.4284 ( 1136 PWs) bands (ev): -52.0723 -52.0723 -23.5344 -23.5344 -14.1388 -14.1388 -13.5340 -13.5340 9.2218 9.2218 11.8538 11.8538 19.0102 19.0102 19.1749 19.1749 19.2754 19.2754 19.4504 19.4504 20.8540 20.8540 21.1731 21.1731 23.4159 23.4159 26.1222 26.1222 k = 0.0000 0.0000 0.4380 ( 1142 PWs) bands (ev): -52.0721 -52.0721 -23.5353 -23.5353 -14.1427 -14.1427 -13.5334 -13.5334 9.3121 9.3121 11.7505 11.7505 19.0952 19.0952 19.1495 19.1495 19.3808 19.3808 19.4489 19.4489 20.7191 20.7191 21.0426 21.0426 23.4959 23.4959 26.1181 26.1181 k = 0.0000 0.0000 0.4475 ( 1148 PWs) bands (ev): -52.0719 -52.0719 -23.5360 -23.5360 -14.1460 -14.1460 -13.5329 -13.5329 9.3952 9.3952 11.6564 11.6564 19.1279 19.1279 19.1619 19.1619 19.4714 19.4714 19.4852 19.4852 20.5865 20.5865 20.9167 20.9167 23.5655 23.5655 26.1147 26.1147 k = 0.0000 0.0000 0.4570 ( 1142 PWs) bands (ev): -52.0718 -52.0718 -23.5366 -23.5366 -14.1487 -14.1487 -13.5325 -13.5325 9.4690 9.4690 11.5736 11.5736 19.1103 19.1103 19.2025 19.2025 19.5252 19.5252 19.5871 19.5871 20.4563 20.4563 20.7974 20.7974 23.6240 23.6240 26.1118 26.1118 k = 0.0000 0.0000 0.4665 ( 1142 PWs) bands (ev): -52.0716 -52.0716 -23.5370 -23.5370 -14.1508 -14.1508 -13.5321 -13.5321 9.5309 9.5309 11.5047 11.5047 19.0965 19.0965 19.2211 19.2211 19.6058 19.6058 19.6830 19.6830 20.3295 20.3295 20.6878 20.6878 23.6704 23.6704 26.1096 26.1096 k = 0.0000 0.0000 0.4760 ( 1142 PWs) bands (ev): -52.0716 -52.0716 -23.5373 -23.5373 -14.1523 -14.1523 -13.5319 -13.5319 9.5779 9.5779 11.4527 11.4527 19.0867 19.0867 19.2278 19.2278 19.7011 19.7011 19.7670 19.7670 20.2075 20.2075 20.5941 20.5941 23.7040 23.7040 26.1080 26.1080 k = 0.0000 0.0000 0.4856 ( 1142 PWs) bands (ev): -52.0715 -52.0715 -23.5375 -23.5375 -14.1533 -14.1533 -13.5317 -13.5317 9.6075 9.6075 11.4201 11.4201 19.0808 19.0808 19.2297 19.2297 19.7978 19.7978 19.8281 19.8281 20.0970 20.0970 20.5271 20.5271 23.7244 23.7244 26.1071 26.1071 k = 0.0000 0.0000 0.4951 ( 1142 PWs) bands (ev): -52.0715 -52.0715 -23.5376 -23.5376 -14.1536 -14.1536 -13.5317 -13.5317 9.6176 9.6176 11.4090 11.4090 19.0789 19.0789 19.2301 19.2301 19.8513 19.8513 19.8545 19.8545 20.0360 20.0360 20.5020 20.5020 23.7312 23.7312 26.1067 26.1067 k = 0.0000 0.0000 0.4951 ( 1142 PWs) bands (ev): -52.0715 -52.0715 -23.5376 -23.5376 -14.1536 -14.1536 -13.5317 -13.5317 9.6176 9.6176 11.4090 11.4090 19.0789 19.0789 19.2301 19.2301 19.8513 19.8513 19.8545 19.8545 20.0360 20.0360 20.5020 20.5020 23.7312 23.7312 26.1067 26.1067 k = 0.0082 0.0047 0.4951 ( 1142 PWs) bands (ev): -52.0715 -52.0715 -23.5376 -23.5376 -14.1536 -14.1536 -13.5320 -13.5320 9.6175 9.6175 11.4113 11.4113 19.0516 19.0516 19.1986 19.1986 19.8697 19.8697 19.8826 19.8826 20.0480 20.0480 20.5001 20.5001 23.7320 23.7320 26.1146 26.1146 k = 0.0164 0.0095 0.4951 ( 1142 PWs) bands (ev): -52.0714 -52.0714 -23.5379 -23.5379 -14.1537 -14.1537 -13.5329 -13.5329 9.6175 9.6175 11.4183 11.4183 18.9791 18.9791 19.1174 19.1174 19.9018 19.9018 19.9575 19.9575 20.0942 20.0942 20.4948 20.4948 23.7344 23.7344 26.1383 26.1383 k = 0.0246 0.0142 0.4951 ( 1142 PWs) bands (ev): -52.0713 -52.0713 -23.5382 -23.5382 -14.1538 -14.1538 -13.5345 -13.5345 9.6173 9.6173 11.4300 11.4300 18.8784 18.8784 19.0084 19.0084 19.9168 19.9168 20.0617 20.0617 20.1829 20.1829 20.4874 20.4874 23.7383 23.7383 26.1773 26.1773 k = 0.0328 0.0189 0.4951 ( 1142 PWs) bands (ev): -52.0711 -52.0711 -23.5387 -23.5387 -14.1541 -14.1541 -13.5367 -13.5367 9.6172 9.6172 11.4463 11.4463 18.7621 18.7621 18.8853 18.8853 19.9135 19.9135 20.1822 20.1822 20.2998 20.2998 20.4804 20.4804 23.7439 23.7439 26.2312 26.2312 k = 0.0410 0.0237 0.4951 ( 1142 PWs) bands (ev): -52.0709 -52.0709 -23.5393 -23.5393 -14.1544 -14.1544 -13.5395 -13.5395 9.6170 9.6170 11.4671 11.4671 18.6370 18.6370 18.7552 18.7552 19.8973 19.8973 20.3117 20.3117 20.4225 20.4225 20.4847 20.4847 23.7510 23.7510 26.2992 26.2992 k = 0.0492 0.0284 0.4951 ( 1142 PWs) bands (ev): -52.0706 -52.0706 -23.5401 -23.5401 -14.1547 -14.1547 -13.5429 -13.5429 9.6167 9.6167 11.4926 11.4926 18.5070 18.5070 18.6218 18.6218 19.8700 19.8700 20.4420 20.4420 20.4639 20.4639 20.5872 20.5872 23.7596 23.7596 26.3807 26.3807 k = 0.0574 0.0331 0.4951 ( 1142 PWs) bands (ev): -52.0703 -52.0703 -23.5410 -23.5410 -14.1551 -14.1551 -13.5468 -13.5468 9.6165 9.6165 11.5226 11.5226 18.3739 18.3739 18.4873 18.4873 19.8319 19.8319 20.4630 20.4630 20.5851 20.5851 20.7332 20.7332 23.7699 23.7699 26.4746 26.4746 k = 0.0656 0.0379 0.4951 ( 1140 PWs) bands (ev): -52.0700 -52.0700 -23.5420 -23.5420 -14.1556 -14.1556 -13.5514 -13.5514 9.6163 9.6163 11.5570 11.5570 18.2387 18.2387 18.3530 18.3530 19.7833 19.7833 20.4728 20.4728 20.7233 20.7233 20.8861 20.8861 23.7816 23.7816 26.5801 26.5801 k = 0.0738 0.0426 0.4951 ( 1136 PWs) bands (ev): -52.0696 -52.0696 -23.5432 -23.5432 -14.1561 -14.1561 -13.5565 -13.5565 9.6160 9.6160 11.5958 11.5958 18.1020 18.1020 18.2197 18.2197 19.7248 19.7248 20.4890 20.4890 20.8619 20.8619 21.0431 21.0431 23.7950 23.7950 26.6961 26.6961 k = 0.0820 0.0473 0.4951 ( 1136 PWs) bands (ev): -52.0691 -52.0691 -23.5445 -23.5445 -14.1568 -14.1568 -13.5621 -13.5621 9.6158 9.6158 11.6390 11.6390 17.9642 17.9642 18.0882 18.0882 19.6574 19.6574 20.5120 20.5120 21.0003 21.0003 21.2035 21.2035 23.8099 23.8099 26.8217 26.8217 k = 0.0902 0.0521 0.4951 ( 1144 PWs) bands (ev): -52.0686 -52.0686 -23.5459 -23.5459 -14.1575 -14.1575 -13.5683 -13.5683 9.6157 9.6157 11.6864 11.6864 17.8257 17.8257 17.9588 17.9588 19.5825 19.5825 20.5416 20.5416 21.1380 21.1380 21.3666 21.3666 23.8263 23.8263 26.9558 26.9558 k = 0.0984 0.0568 0.4951 ( 1140 PWs) bands (ev): -52.0681 -52.0681 -23.5475 -23.5475 -14.1583 -14.1583 -13.5749 -13.5749 9.6156 9.6156 11.7380 11.7380 17.6868 17.6868 17.8317 17.8317 19.5013 19.5013 20.5773 20.5773 21.2748 21.2748 21.5322 21.5322 23.8442 23.8442 27.0977 27.0977 k = 0.1066 0.0615 0.4951 ( 1140 PWs) bands (ev): -52.0675 -52.0675 -23.5491 -23.5491 -14.1592 -14.1592 -13.5819 -13.5819 9.6156 9.6156 11.7936 11.7936 17.5477 17.5477 17.7070 17.7070 19.4150 19.4150 20.6188 20.6188 21.4104 21.4104 21.6998 21.6998 23.8637 23.8637 27.2463 27.2463 k = 0.1148 0.0663 0.4951 ( 1138 PWs) bands (ev): -52.0669 -52.0669 -23.5509 -23.5509 -14.1601 -14.1601 -13.5894 -13.5894 9.6156 9.6156 11.8533 11.8533 17.4087 17.4087 17.5848 17.5848 19.3248 19.3248 20.6656 20.6656 21.5449 21.5449 21.8693 21.8693 23.8847 23.8847 27.4008 27.4008 k = 0.1230 0.0710 0.4951 ( 1142 PWs) bands (ev): -52.0663 -52.0663 -23.5528 -23.5528 -14.1612 -14.1612 -13.5974 -13.5974 9.6158 9.6158 11.9168 11.9168 17.2702 17.2702 17.4650 17.4650 19.2315 19.2315 20.7174 20.7174 21.6779 21.6779 22.0403 22.0403 23.9073 23.9073 27.5603 27.5603 k = 0.1311 0.0757 0.4951 ( 1140 PWs) bands (ev): -52.0656 -52.0656 -23.5548 -23.5548 -14.1623 -14.1623 -13.6056 -13.6056 9.6161 9.6161 11.9841 11.9841 17.1323 17.1323 17.3477 17.3477 19.1361 19.1361 20.7739 20.7739 21.8096 21.8096 22.2128 22.2128 23.9314 23.9314 27.7239 27.7239 k = 0.1393 0.0805 0.4951 ( 1144 PWs) bands (ev): -52.0649 -52.0649 -23.5569 -23.5569 -14.1636 -14.1636 -13.6143 -13.6143 9.6165 9.6165 12.0550 12.0550 16.9953 16.9953 17.2328 17.2328 19.0391 19.0391 20.8348 20.8348 21.9399 21.9399 22.3863 22.3863 23.9571 23.9571 27.8910 27.8910 k = 0.1475 0.0852 0.4951 ( 1148 PWs) bands (ev): -52.0642 -52.0642 -23.5591 -23.5591 -14.1649 -14.1649 -13.6232 -13.6232 9.6170 9.6170 12.1293 12.1293 16.8594 16.8594 17.1204 17.1204 18.9414 18.9414 20.9001 20.9001 22.0686 22.0686 22.5607 22.5607 23.9845 23.9845 28.0606 28.0606 k = 0.1557 0.0899 0.4951 ( 1152 PWs) bands (ev): -52.0634 -52.0634 -23.5614 -23.5614 -14.1664 -14.1664 -13.6325 -13.6325 9.6177 9.6177 12.2070 12.2070 16.7248 16.7248 17.0105 17.0105 18.8434 18.8434 20.9694 20.9694 22.1958 22.1958 22.7357 22.7357 24.0137 24.0137 28.2320 28.2320 k = 0.1639 0.0946 0.4951 ( 1152 PWs) bands (ev): -52.0626 -52.0626 -23.5637 -23.5637 -14.1679 -14.1679 -13.6419 -13.6419 9.6186 9.6186 12.2879 12.2879 16.5915 16.5915 16.9030 16.9030 18.7457 18.7457 21.0427 21.0427 22.3215 22.3215 22.9110 22.9110 24.0448 24.0448 28.4043 28.4043 k = 0.1721 0.0994 0.4951 ( 1152 PWs) bands (ev): -52.0618 -52.0618 -23.5661 -23.5661 -14.1696 -14.1696 -13.6515 -13.6515 9.6196 9.6196 12.3718 12.3718 16.4598 16.4598 16.7979 16.7979 18.6486 18.6486 21.1199 21.1199 22.4457 22.4457 23.0859 23.0859 24.0781 24.0781 28.5768 28.5768 k = 0.1803 0.1041 0.4951 ( 1148 PWs) bands (ev): -52.0609 -52.0609 -23.5686 -23.5686 -14.1713 -14.1713 -13.6613 -13.6613 9.6209 9.6209 12.4585 12.4585 16.3297 16.3297 16.6953 16.6953 18.5527 18.5527 21.2007 21.2007 22.5684 22.5684 23.2600 23.2600 24.1143 24.1143 28.7484 28.7484 k = 0.1885 0.1088 0.4951 ( 1144 PWs) bands (ev): -52.0601 -52.0601 -23.5711 -23.5711 -14.1732 -14.1732 -13.6712 -13.6712 9.6223 9.6223 12.5478 12.5478 16.2014 16.2014 16.5952 16.5952 18.4583 18.4583 21.2852 21.2852 22.6894 22.6894 23.4321 23.4321 24.1540 24.1540 28.9182 28.9182 k = 0.1967 0.1136 0.4951 ( 1144 PWs) bands (ev): -52.0592 -52.0592 -23.5738 -23.5738 -14.1752 -14.1752 -13.6812 -13.6812 9.6240 9.6240 12.6394 12.6394 16.0750 16.0750 16.4975 16.4975 18.3657 18.3657 21.3731 21.3731 22.8089 22.8089 23.6003 23.6003 24.1990 24.1990 29.0852 29.0852 k = 0.2049 0.1183 0.4951 ( 1140 PWs) bands (ev): -52.0583 -52.0583 -23.5764 -23.5764 -14.1773 -14.1773 -13.6912 -13.6912 9.6259 9.6259 12.7332 12.7332 15.9507 15.9507 16.4023 16.4023 18.2753 18.2753 21.4644 21.4644 22.9269 22.9269 23.7614 23.7614 24.2524 24.2524 29.2482 29.2482 k = 0.2131 0.1230 0.4951 ( 1140 PWs) bands (ev): -52.0573 -52.0573 -23.5791 -23.5791 -14.1796 -14.1796 -13.7012 -13.7012 9.6279 9.6279 12.8289 12.8289 15.8284 15.8284 16.3097 16.3097 18.1874 18.1874 21.5589 21.5589 23.0432 23.0432 23.9096 23.9096 24.3198 24.3198 29.4059 29.4059 k = 0.2213 0.1278 0.4951 ( 1144 PWs) bands (ev): -52.0564 -52.0564 -23.5819 -23.5819 -14.1820 -14.1820 -13.7113 -13.7113 9.6302 9.6302 12.9262 12.9262 15.7084 15.7084 16.2195 16.2195 18.1023 18.1023 21.6566 21.6566 23.1579 23.1579 24.0361 24.0361 24.4097 24.4097 29.5568 29.5568 k = 0.2295 0.1325 0.4951 ( 1144 PWs) bands (ev): -52.0555 -52.0555 -23.5846 -23.5846 -14.1846 -14.1846 -13.7212 -13.7212 9.6328 9.6328 13.0247 13.0247 15.5908 15.5908 16.1319 16.1319 18.0202 18.0202 21.7573 21.7573 23.2710 23.2710 24.1353 24.1353 24.5276 24.5276 29.6993 29.6993 k = 0.2377 0.1372 0.4951 ( 1152 PWs) bands (ev): -52.0546 -52.0546 -23.5875 -23.5875 -14.1873 -14.1873 -13.7311 -13.7311 9.6355 9.6355 13.1242 13.1242 15.4755 15.4755 16.0468 16.0468 17.9415 17.9415 21.8609 21.8609 23.3824 23.3824 24.2111 24.2111 24.6694 24.6694 29.8314 29.8314 k = 0.2459 0.1420 0.4951 ( 1156 PWs) bands (ev): -52.0536 -52.0536 -23.5903 -23.5903 -14.1902 -14.1902 -13.7408 -13.7408 9.6385 9.6385 13.2243 13.2243 15.3629 15.3629 15.9642 15.9642 17.8665 17.8665 21.9672 21.9672 23.4920 23.4920 24.2723 24.2723 24.8261 24.8261 29.9510 29.9510 k = 0.2541 0.1467 0.4951 ( 1156 PWs) bands (ev): -52.0527 -52.0527 -23.5931 -23.5931 -14.1931 -14.1931 -13.7504 -13.7504 9.6418 9.6418 13.3244 13.3244 15.2530 15.2530 15.8842 15.8842 17.7954 17.7954 22.0761 22.0761 23.5998 23.5998 24.3257 24.3257 24.9908 24.9908 30.0555 30.0555 k = 0.2623 0.1514 0.4951 ( 1162 PWs) bands (ev): -52.0518 -52.0518 -23.5960 -23.5960 -14.1962 -14.1962 -13.7598 -13.7598 9.6452 9.6452 13.4243 13.4243 15.1459 15.1459 15.8068 15.8068 17.7286 17.7286 22.1874 22.1874 23.7056 23.7056 24.3751 24.3751 25.1593 25.1593 30.1422 30.1422 k = 0.2705 0.1562 0.4951 ( 1166 PWs) bands (ev): -52.0508 -52.0508 -23.5988 -23.5988 -14.1995 -14.1995 -13.7690 -13.7690 9.6489 9.6489 13.5232 13.5232 15.0419 15.0419 15.7319 15.7319 17.6663 17.6663 22.3011 22.3011 23.8092 23.8092 24.4229 24.4229 25.3295 25.3295 30.2082 30.2082 k = 0.2787 0.1609 0.4951 ( 1162 PWs) bands (ev): -52.0499 -52.0499 -23.6016 -23.6016 -14.2028 -14.2028 -13.7778 -13.7778 9.6528 9.6528 13.6207 13.6207 14.9411 14.9411 15.6596 15.6596 17.6089 17.6089 22.4168 22.4168 23.9103 23.9103 24.4701 24.4701 25.5000 25.5000 30.2510 30.2510 k = 0.2869 0.1656 0.4951 ( 1162 PWs) bands (ev): -52.0489 -52.0489 -23.6044 -23.6044 -14.2063 -14.2063 -13.7864 -13.7864 9.6569 9.6569 13.7160 13.7160 14.8439 14.8439 15.5900 15.5900 17.5566 17.5566 22.5345 22.5345 24.0084 24.0084 24.5178 24.5178 25.6700 25.6700 30.2685 30.2685 k = 0.2951 0.1704 0.4951 ( 1162 PWs) bands (ev): -52.0480 -52.0480 -23.6071 -23.6071 -14.2099 -14.2099 -13.7947 -13.7947 9.6612 9.6612 13.8082 13.8082 14.7507 14.7507 15.5229 15.5229 17.5098 17.5098 22.6539 22.6539 24.1032 24.1032 24.5667 24.5667 25.8387 25.8387 30.2600 30.2600 k = 0.3033 0.1751 0.4951 ( 1162 PWs) bands (ev): -52.0471 -52.0471 -23.6098 -23.6098 -14.2135 -14.2135 -13.8027 -13.8027 9.6657 9.6657 13.8959 13.8959 14.6625 14.6625 15.4585 15.4585 17.4688 17.4688 22.7747 22.7747 24.1938 24.1938 24.6178 24.6178 26.0057 26.0057 30.2266 30.2266 k = 0.3115 0.1798 0.4951 ( 1162 PWs) bands (ev): -52.0462 -52.0462 -23.6125 -23.6125 -14.2173 -14.2173 -13.8104 -13.8104 9.6703 9.6703 13.9772 13.9772 14.5806 14.5806 15.3967 15.3967 17.4338 17.4338 22.8968 22.8968 24.2794 24.2794 24.6718 24.6718 26.1705 26.1705 30.1710 30.1710 k = 0.3197 0.1846 0.4951 ( 1162 PWs) bands (ev): -52.0454 -52.0454 -23.6151 -23.6151 -14.2211 -14.2211 -13.8177 -13.8177 9.6751 9.6751 14.0484 14.0484 14.5084 14.5084 15.3376 15.3376 17.4051 17.4051 23.0198 23.0198 24.3592 24.3592 24.7296 24.7296 26.3327 26.3327 30.0966 30.0966 k = 0.3279 0.1893 0.4951 ( 1158 PWs) bands (ev): -52.0445 -52.0445 -23.6176 -23.6176 -14.2250 -14.2250 -13.8247 -13.8247 9.6801 9.6801 14.1019 14.1019 14.4531 14.4531 15.2811 15.2811 17.3830 17.3830 23.1435 23.1435 24.4322 24.4322 24.7919 24.7919 26.4917 26.4917 30.0072 30.0072 k = 0.3361 0.1940 0.4951 ( 1158 PWs) bands (ev): -52.0437 -52.0437 -23.6201 -23.6201 -14.2289 -14.2289 -13.8313 -13.8313 9.6851 9.6851 14.1243 14.1243 14.4273 14.4273 15.2274 15.2274 17.3675 17.3675 23.2675 23.2675 24.4982 24.4982 24.8590 24.8590 26.6474 26.6474 29.9060 29.9060 k = 0.3443 0.1988 0.4951 ( 1158 PWs) bands (ev): -52.0429 -52.0429 -23.6225 -23.6225 -14.2329 -14.2329 -13.8375 -13.8375 9.6902 9.6902 14.1079 14.1079 14.4386 14.4386 15.1764 15.1764 17.3588 17.3588 23.3915 23.3915 24.5572 24.5572 24.9306 24.9306 26.7991 26.7991 29.7956 29.7956 k = 0.3525 0.2035 0.4951 ( 1158 PWs) bands (ev): -52.0421 -52.0421 -23.6248 -23.6248 -14.2368 -14.2368 -13.8434 -13.8434 9.6954 9.6954 14.0648 14.0648 14.4746 14.4746 15.1282 15.1282 17.3568 17.3568 23.5150 23.5150 24.6100 24.6100 25.0058 25.0058 26.9466 26.9466 29.6784 29.6784 k = 0.3607 0.2082 0.4951 ( 1158 PWs) bands (ev): -52.0414 -52.0414 -23.6271 -23.6271 -14.2407 -14.2407 -13.8489 -13.8489 9.7006 9.7006 14.0102 14.0102 14.5196 14.5196 15.0828 15.0828 17.3613 17.3613 23.6376 23.6376 24.6572 24.6572 25.0836 25.0836 27.0894 27.0894 29.5563 29.5563 k = 0.3689 0.2130 0.4951 ( 1162 PWs) bands (ev): -52.0407 -52.0407 -23.6292 -23.6292 -14.2445 -14.2445 -13.8540 -13.8540 9.7058 9.7058 13.9522 13.9522 14.5655 14.5655 15.0404 15.0404 17.3722 17.3722 23.7589 23.7589 24.6998 24.6998 25.1627 25.1627 27.2269 27.2269 29.4310 29.4310 k = 0.3770 0.2177 0.4951 ( 1166 PWs) bands (ev): -52.0400 -52.0400 -23.6313 -23.6313 -14.2483 -14.2483 -13.8588 -13.8588 9.7109 9.7109 13.8943 13.8943 14.6088 14.6088 15.0011 15.0011 17.3888 17.3888 23.8783 23.8783 24.7385 24.7385 25.2423 25.2423 27.3589 27.3589 29.3044 29.3044 k = 0.3852 0.2224 0.4951 ( 1166 PWs) bands (ev): -52.0394 -52.0394 -23.6333 -23.6333 -14.2520 -14.2520 -13.8633 -13.8633 9.7160 9.7160 13.8380 13.8380 14.6475 14.6475 14.9651 14.9651 17.4108 17.4108 23.9952 23.9952 24.7739 24.7739 25.3213 25.3213 27.4849 27.4849 29.1781 29.1781 k = 0.3934 0.2272 0.4951 ( 1170 PWs) bands (ev): -52.0388 -52.0388 -23.6351 -23.6351 -14.2555 -14.2555 -13.8673 -13.8673 9.7209 9.7209 13.7844 13.7844 14.6808 14.6808 14.9328 14.9328 17.4372 17.4372 24.1091 24.1091 24.8063 24.8063 25.3991 25.3991 27.6043 27.6043 29.0536 29.0536 k = 0.4016 0.2319 0.4951 ( 1170 PWs) bands (ev): -52.0382 -52.0382 -23.6368 -23.6368 -14.2589 -14.2589 -13.8711 -13.8711 9.7257 9.7257 13.7338 13.7338 14.7078 14.7078 14.9051 14.9051 17.4674 17.4674 24.2192 24.2192 24.8360 24.8360 25.4748 25.4748 27.7167 27.7167 28.9323 28.9323 k = 0.4098 0.2366 0.4951 ( 1170 PWs) bands (ev): -52.0377 -52.0377 -23.6384 -23.6384 -14.2621 -14.2621 -13.8745 -13.8745 9.7302 9.7302 13.6866 13.6866 14.7273 14.7273 14.8830 14.8830 17.5003 17.5003 24.3248 24.3248 24.8632 24.8632 25.5479 25.5479 27.8217 27.8217 28.8159 28.8159 k = 0.4180 0.2414 0.4951 ( 1174 PWs) bands (ev): -52.0372 -52.0372 -23.6399 -23.6399 -14.2651 -14.2651 -13.8775 -13.8775 9.7346 9.7346 13.6430 13.6430 14.7381 14.7381 14.8682 14.8682 17.5350 17.5350 24.4252 24.4252 24.8880 24.8880 25.6177 25.6177 27.9186 27.9186 28.7055 28.7055 k = 0.4262 0.2461 0.4951 ( 1174 PWs) bands (ev): -52.0367 -52.0367 -23.6413 -23.6413 -14.2679 -14.2679 -13.8803 -13.8803 9.7387 9.7387 13.6032 13.6032 14.7394 14.7394 14.8617 14.8617 17.5703 17.5703 24.5194 24.5194 24.9105 24.9105 25.6836 25.6836 28.0070 28.0070 28.6024 28.6024 k = 0.4344 0.2508 0.4951 ( 1174 PWs) bands (ev): -52.0363 -52.0363 -23.6425 -23.6425 -14.2705 -14.2705 -13.8827 -13.8827 9.7424 9.7424 13.5673 13.5673 14.7333 14.7333 14.8619 14.8619 17.6053 17.6053 24.6067 24.6067 24.9308 24.9308 25.7450 25.7450 28.0862 28.0862 28.5079 28.5079 k = 0.4426 0.2555 0.4951 ( 1174 PWs) bands (ev): -52.0360 -52.0360 -23.6436 -23.6436 -14.2728 -14.2728 -13.8848 -13.8848 9.7458 9.7458 13.5354 13.5354 14.7231 14.7231 14.8658 14.8658 17.6390 17.6390 24.6861 24.6861 24.9489 24.9489 25.8012 25.8012 28.1553 28.1553 28.4236 28.4236 k = 0.4508 0.2603 0.4951 ( 1168 PWs) bands (ev): -52.0356 -52.0356 -23.6445 -23.6445 -14.2748 -14.2748 -13.8866 -13.8866 9.7489 9.7489 13.5076 13.5076 14.7117 14.7117 14.8709 14.8709 17.6704 17.6704 24.7567 24.7567 24.9649 24.9649 25.8515 25.8515 28.2115 28.2115 28.3526 28.3526 k = 0.4590 0.2650 0.4951 ( 1168 PWs) bands (ev): -52.0354 -52.0354 -23.6453 -23.6453 -14.2765 -14.2765 -13.8881 -13.8881 9.7515 9.7515 13.4839 13.4839 14.7008 14.7008 14.8758 14.8758 17.6985 17.6985 24.8177 24.8177 24.9788 24.9788 25.8955 25.8955 28.2377 28.2377 28.3125 28.3125 k = 0.4672 0.2697 0.4951 ( 1164 PWs) bands (ev): -52.0351 -52.0351 -23.6459 -23.6459 -14.2780 -14.2780 -13.8894 -13.8894 9.7537 9.7537 13.4645 13.4645 14.6913 14.6913 14.8801 14.8801 17.7227 17.7227 24.8680 24.8680 24.9910 24.9910 25.9324 25.9324 28.2086 28.2086 28.3292 28.3292 k = 0.4754 0.2745 0.4951 ( 1164 PWs) bands (ev): -52.0350 -52.0350 -23.6465 -23.6465 -14.2791 -14.2791 -13.8903 -13.8903 9.7554 9.7554 13.4494 13.4494 14.6836 14.6836 14.8834 14.8834 17.7423 17.7423 24.9070 24.9070 25.0014 25.0014 25.9618 25.9618 28.1709 28.1709 28.3564 28.3564 k = 0.4836 0.2792 0.4951 ( 1160 PWs) bands (ev): -52.0348 -52.0348 -23.6468 -23.6468 -14.2799 -14.2799 -13.8910 -13.8910 9.7567 9.7567 13.4385 13.4385 14.6779 14.6779 14.8858 14.8858 17.7566 17.7566 24.9341 24.9341 25.0100 25.0100 25.9831 25.9831 28.1418 28.1418 28.3774 28.3774 k = 0.4918 0.2839 0.4951 ( 1156 PWs) bands (ev): -52.0348 -52.0348 -23.6470 -23.6470 -14.2803 -14.2803 -13.8914 -13.8914 9.7575 9.7575 13.4320 13.4320 14.6745 14.6745 14.8872 14.8872 17.7654 17.7654 24.9496 24.9496 25.0160 25.0160 25.9960 25.9960 28.1240 28.1240 28.3902 28.3902 k = 0.5000 0.2887 0.4951 ( 1160 PWs) bands (ev): -52.0347 -52.0347 -23.6471 -23.6471 -14.2805 -14.2805 -13.8916 -13.8916 9.7577 9.7577 13.4299 13.4299 14.6733 14.6733 14.8877 14.8877 17.7683 17.7683 24.9546 24.9546 25.0182 25.0182 26.0004 26.0004 28.1180 28.1180 28.3945 28.3945 k = 0.5000 0.2887 0.4951 ( 1160 PWs) bands (ev): -52.0347 -52.0347 -23.6471 -23.6471 -14.2805 -14.2805 -13.8916 -13.8916 9.7577 9.7577 13.4299 13.4299 14.6733 14.6733 14.8877 14.8877 17.7683 17.7683 24.9546 24.9546 25.0182 25.0182 26.0004 26.0004 28.1180 28.1180 28.3945 28.3945 k = 0.4952 0.2969 0.4951 ( 1156 PWs) bands (ev): -52.0347 -52.0347 -23.6471 -23.6471 -14.2804 -14.2804 -13.8918 -13.8918 9.7587 9.7587 13.4240 13.4240 14.6765 14.6765 14.8907 14.8907 17.7668 17.7668 24.9568 24.9568 25.0189 25.0189 26.0028 26.0028 28.1153 28.1153 28.3977 28.3977 k = 0.4905 0.3052 0.4951 ( 1156 PWs) bands (ev): -52.0347 -52.0347 -23.6472 -23.6472 -14.2800 -14.2800 -13.8925 -13.8925 9.7616 9.7616 13.4065 13.4065 14.6859 14.6859 14.8997 14.8997 17.7621 17.7621 24.9628 24.9628 25.0213 25.0213 26.0101 26.0101 28.1073 28.1073 28.4073 28.4073 k = 0.4857 0.3134 0.4951 ( 1156 PWs) bands (ev): -52.0347 -52.0347 -23.6473 -23.6473 -14.2794 -14.2794 -13.8938 -13.8938 9.7665 9.7665 13.3781 13.3781 14.7007 14.7007 14.9146 14.9146 17.7544 17.7544 24.9711 24.9711 25.0271 25.0271 26.0221 26.0221 28.0940 28.0940 28.4233 28.4233 k = 0.4810 0.3217 0.4951 ( 1160 PWs) bands (ev): -52.0346 -52.0346 -23.6474 -23.6474 -14.2786 -14.2786 -13.8955 -13.8955 9.7734 9.7734 13.3399 13.3399 14.7201 14.7201 14.9355 14.9355 17.7437 17.7437 24.9787 24.9787 25.0391 25.0391 26.0388 26.0388 28.0752 28.0752 28.4456 28.4456 k = 0.4762 0.3299 0.4951 ( 1160 PWs) bands (ev): -52.0345 -52.0345 -23.6476 -23.6476 -14.2775 -14.2775 -13.8977 -13.8977 9.7822 9.7822 13.2931 13.2931 14.7430 14.7430 14.9621 14.9621 17.7301 17.7301 24.9832 24.9832 25.0596 25.0596 26.0601 26.0601 28.0511 28.0511 28.4743 28.4743 k = 0.4714 0.3382 0.4951 ( 1160 PWs) bands (ev): -52.0345 -52.0345 -23.6479 -23.6479 -14.2762 -14.2762 -13.9004 -13.9004 9.7929 9.7929 13.2388 13.2388 14.7685 14.7685 14.9941 14.9941 17.7136 17.7136 24.9848 24.9848 25.0885 25.0885 26.0857 26.0857 28.0214 28.0214 28.5092 28.5092 k = 0.4667 0.3464 0.4951 ( 1160 PWs) bands (ev): -52.0344 -52.0344 -23.6481 -23.6481 -14.2746 -14.2746 -13.9035 -13.9035 9.8057 9.8057 13.1781 13.1781 14.7959 14.7959 15.0312 15.0312 17.6945 17.6945 24.9842 24.9842 25.1248 25.1248 26.1155 26.1155 27.9864 27.9864 28.5498 28.5498 k = 0.4619 0.3547 0.4951 ( 1164 PWs) bands (ev): -52.0342 -52.0342 -23.6485 -23.6485 -14.2729 -14.2729 -13.9071 -13.9071 9.8203 9.8203 13.1121 13.1121 14.8245 14.8245 15.0728 15.0728 17.6728 17.6728 24.9823 24.9823 25.1674 25.1674 26.1493 26.1493 27.9460 27.9460 28.5958 28.5958 k = 0.4571 0.3629 0.4951 ( 1164 PWs) bands (ev): -52.0341 -52.0341 -23.6488 -23.6488 -14.2709 -14.2709 -13.9110 -13.9110 9.8370 9.8370 13.0418 13.0418 14.8540 14.8540 15.1186 15.1186 17.6487 17.6487 24.9795 24.9795 25.2160 25.2160 26.1868 26.1868 27.9004 27.9004 28.6461 28.6461 k = 0.4524 0.3712 0.4951 ( 1164 PWs) bands (ev): -52.0340 -52.0340 -23.6492 -23.6492 -14.2688 -14.2688 -13.9154 -13.9154 9.8556 9.8556 12.9677 12.9677 14.8839 14.8839 15.1682 15.1682 17.6223 17.6223 24.9759 24.9759 25.2700 25.2700 26.2279 26.2279 27.8497 27.8497 28.6990 28.6990 k = 0.4476 0.3794 0.4951 ( 1164 PWs) bands (ev): -52.0338 -52.0338 -23.6496 -23.6496 -14.2664 -14.2664 -13.9201 -13.9201 9.8761 9.8761 12.8906 12.8906 14.9140 14.9140 15.2211 15.2211 17.5939 17.5939 24.9715 24.9715 25.3292 25.3292 26.2722 26.2722 27.7942 27.7942 28.7509 28.7509 k = 0.4429 0.3876 0.4951 ( 1160 PWs) bands (ev): -52.0336 -52.0336 -23.6500 -23.6500 -14.2637 -14.2637 -13.9252 -13.9252 9.8986 9.8986 12.8111 12.8111 14.9439 14.9439 15.2771 15.2771 17.5636 17.5636 24.9664 24.9664 25.3932 25.3932 26.3197 26.3197 27.7341 27.7341 28.7965 28.7965 k = 0.4381 0.3959 0.4951 ( 1156 PWs) bands (ev): -52.0335 -52.0335 -23.6505 -23.6505 -14.2609 -14.2609 -13.9306 -13.9306 9.9231 9.9231 12.7297 12.7297 14.9733 14.9733 15.3359 15.3359 17.5316 17.5316 24.9605 24.9605 25.4618 25.4618 26.3700 26.3700 27.6700 27.6700 28.8290 28.8290 k = 0.4333 0.4041 0.4951 ( 1154 PWs) bands (ev): -52.0333 -52.0333 -23.6510 -23.6510 -14.2580 -14.2580 -13.9363 -13.9363 9.9495 9.9495 12.6466 12.6466 15.0019 15.0019 15.3975 15.3975 17.4980 17.4980 24.9538 24.9538 25.5348 25.5348 26.4230 26.4230 27.6022 27.6022 28.8449 28.8449 k = 0.4286 0.4124 0.4951 ( 1150 PWs) bands (ev): -52.0331 -52.0331 -23.6515 -23.6515 -14.2548 -14.2548 -13.9422 -13.9422 9.9778 9.9778 12.5624 12.5624 15.0294 15.0294 15.4616 15.4616 17.4632 17.4632 24.9461 24.9461 25.6119 25.6119 26.4785 26.4785 27.5315 27.5315 28.8462 28.8462 k = 0.4238 0.4206 0.4951 ( 1150 PWs) bands (ev): -52.0329 -52.0329 -23.6520 -23.6520 -14.2516 -14.2516 -13.9484 -13.9484 10.0081 10.0081 12.4773 12.4773 15.0557 15.0557 15.5281 15.5281 17.4273 17.4273 24.9373 24.9373 25.6927 25.6927 26.5362 26.5362 27.4584 27.4584 28.8370 28.8370 k = 0.4190 0.4289 0.4951 ( 1150 PWs) bands (ev): -52.0327 -52.0327 -23.6525 -23.6525 -14.2482 -14.2482 -13.9547 -13.9547 10.0404 10.0404 12.3916 12.3916 15.0804 15.0804 15.5967 15.5967 17.3905 17.3905 24.9273 24.9273 25.7771 25.7771 26.5960 26.5960 27.3838 27.3838 28.8203 28.8203 k = 0.4143 0.4371 0.4951 ( 1150 PWs) bands (ev): -52.0325 -52.0325 -23.6531 -23.6531 -14.2446 -14.2446 -13.9613 -13.9613 10.0746 10.0746 12.3056 12.3056 15.1035 15.1035 15.6671 15.6671 17.3529 17.3529 24.9161 24.9161 25.8646 25.8646 26.6576 26.6576 27.3086 27.3086 28.7981 28.7981 k = 0.4095 0.4454 0.4951 ( 1150 PWs) bands (ev): -52.0323 -52.0323 -23.6536 -23.6536 -14.2410 -14.2410 -13.9679 -13.9679 10.1107 10.1107 12.2194 12.2194 15.1249 15.1249 15.7392 15.7392 17.3148 17.3148 24.9034 24.9034 25.9550 25.9550 26.7208 26.7208 27.2338 27.2338 28.7713 28.7713 k = 0.4048 0.4536 0.4951 ( 1154 PWs) bands (ev): -52.0321 -52.0321 -23.6542 -23.6542 -14.2373 -14.2373 -13.9746 -13.9746 10.1488 10.1488 12.1334 12.1334 15.1445 15.1445 15.8125 15.8125 17.2764 17.2764 24.8892 24.8892 26.0478 26.0478 26.7850 26.7850 27.1611 27.1611 28.7405 28.7405 k = 0.4000 0.4619 0.4951 ( 1154 PWs) bands (ev): -52.0319 -52.0319 -23.6548 -23.6548 -14.2336 -14.2336 -13.9814 -13.9814 10.1888 10.1888 12.0476 12.0476 15.1623 15.1623 15.8867 15.8867 17.2379 17.2379 24.8736 24.8736 26.1424 26.1424 26.8488 26.8488 27.0926 27.0926 28.7059 28.7059 k = 0.3952 0.4701 0.4951 ( 1154 PWs) bands (ev): -52.0317 -52.0317 -23.6553 -23.6553 -14.2298 -14.2298 -13.9881 -13.9881 10.2308 10.2308 11.9624 11.9624 15.1783 15.1783 15.9613 15.9613 17.1995 17.1995 24.8564 24.8564 26.2380 26.2380 26.9057 26.9057 27.0364 27.0364 28.6677 28.6677 k = 0.3905 0.4784 0.4951 ( 1154 PWs) bands (ev): -52.0315 -52.0315 -23.6558 -23.6558 -14.2260 -14.2260 -13.9947 -13.9947 10.2746 10.2746 11.8777 11.8777 15.1925 15.1925 16.0359 16.0359 17.1613 17.1613 24.8379 24.8379 26.3333 26.3333 26.9190 26.9190 27.0308 27.0308 28.6258 28.6258 k = 0.3857 0.4866 0.4951 ( 1152 PWs) bands (ev): -52.0313 -52.0313 -23.6563 -23.6563 -14.2222 -14.2222 -14.0011 -14.0011 10.3205 10.3205 11.7938 11.7938 15.2050 15.2050 16.1097 16.1097 17.1235 17.1235 24.8181 24.8181 26.4254 26.4254 26.8822 26.8822 27.0855 27.0855 28.5803 28.5803 k = 0.3810 0.4949 0.4951 ( 1152 PWs) bands (ev): -52.0311 -52.0311 -23.6568 -23.6568 -14.2186 -14.2186 -14.0074 -14.0074 10.3682 10.3682 11.7108 11.7108 15.2158 15.2158 16.1824 16.1824 17.0865 17.0865 24.7973 24.7973 26.5079 26.5079 26.8479 26.8479 27.1546 27.1546 28.5312 28.5312 k = 0.3762 0.5031 0.4951 ( 1152 PWs) bands (ev): -52.0310 -52.0310 -23.6573 -23.6573 -14.2150 -14.2150 -14.0134 -14.0134 10.4178 10.4178 11.6289 11.6289 15.2251 15.2251 16.2531 16.2531 17.0504 17.0504 24.7758 24.7758 26.5660 26.5660 26.8411 26.8411 27.2278 27.2278 28.4784 28.4784 k = 0.3714 0.5114 0.4951 ( 1152 PWs) bands (ev): -52.0308 -52.0308 -23.6577 -23.6577 -14.2116 -14.2116 -14.0191 -14.0191 10.4694 10.4694 11.5481 11.5481 15.2329 15.2329 16.3213 16.3213 17.0154 17.0154 24.7542 24.7542 26.5836 26.5836 26.8796 26.8796 27.3033 27.3033 28.4219 28.4219 k = 0.3667 0.5196 0.4951 ( 1148 PWs) bands (ev): -52.0306 -52.0306 -23.6581 -23.6581 -14.2084 -14.2084 -14.0243 -14.0243 10.5229 10.5229 11.4685 11.4685 15.2393 15.2393 16.3859 16.3859 16.9820 16.9820 24.7329 24.7329 26.5703 26.5703 26.9542 26.9542 27.3805 27.3805 28.3620 28.3620 k = 0.3619 0.5279 0.4951 ( 1148 PWs) bands (ev): -52.0305 -52.0305 -23.6585 -23.6585 -14.2055 -14.2055 -14.0290 -14.0290 10.5783 10.5783 11.3903 11.3903 15.2446 15.2446 16.4461 16.4461 16.9505 16.9505 24.7125 24.7125 26.5457 26.5457 27.0449 27.0449 27.4588 27.4588 28.2991 28.2991 k = 0.3571 0.5361 0.4951 ( 1148 PWs) bands (ev): -52.0304 -52.0304 -23.6588 -23.6588 -14.2030 -14.2030 -14.0332 -14.0332 10.6355 10.6355 11.3135 11.3135 15.2487 15.2487 16.5008 16.5008 16.9215 16.9215 24.6937 24.6937 26.5195 26.5195 27.1411 27.1411 27.5376 27.5376 28.2337 28.2337 k = 0.3524 0.5444 0.4951 ( 1152 PWs) bands (ev): -52.0303 -52.0303 -23.6591 -23.6591 -14.2008 -14.2008 -14.0368 -14.0368 10.6946 10.6946 11.2383 11.2383 15.2517 15.2517 16.5486 16.5486 16.8958 16.8958 24.6772 24.6772 26.4958 26.4958 27.2375 27.2375 27.6155 27.6155 28.1677 28.1677 k = 0.3476 0.5526 0.4951 ( 1144 PWs) bands (ev): -52.0302 -52.0302 -23.6593 -23.6593 -14.1991 -14.1991 -14.0395 -14.0395 10.7555 10.7555 11.1649 11.1649 15.2539 15.2539 16.5879 16.5879 16.8746 16.8746 24.6635 24.6635 26.4762 26.4762 27.3298 27.3298 27.6897 27.6897 28.1044 28.1044 k = 0.3429 0.5609 0.4951 ( 1144 PWs) bands (ev): -52.0302 -52.0302 -23.6594 -23.6594 -14.1978 -14.1978 -14.0416 -14.0416 10.8179 10.8179 11.0934 11.0934 15.2553 15.2553 16.6166 16.6166 16.8593 16.8593 24.6533 24.6533 26.4616 26.4616 27.4122 27.4122 27.7529 27.7529 28.0518 28.0518 k = 0.3381 0.5691 0.4951 ( 1152 PWs) bands (ev): -52.0301 -52.0301 -23.6596 -23.6596 -14.1971 -14.1971 -14.0429 -14.0429 10.8808 10.8808 11.0250 11.0250 15.2561 15.2561 16.6334 16.6334 16.8508 16.8508 24.6469 24.6469 26.4526 26.4526 27.4744 27.4744 27.7922 27.7922 28.0231 28.0231 k = 0.3333 0.5774 0.4951 ( 1152 PWs) bands (ev): -52.0301 -52.0301 -23.6596 -23.6596 -14.1968 -14.1968 -14.0433 -14.0433 10.9277 10.9277 10.9762 10.9762 15.2563 15.2563 16.6386 16.6386 16.8485 16.8485 24.6447 24.6447 26.4495 26.4495 27.4991 27.4991 27.8027 27.8027 28.0183 28.0183 k = 0.3333 0.5774 0.4951 ( 1152 PWs) bands (ev): -52.0301 -52.0301 -23.6596 -23.6596 -14.1968 -14.1968 -14.0433 -14.0433 10.9277 10.9277 10.9762 10.9762 15.2563 15.2563 16.6386 16.6386 16.8485 16.8485 24.6447 24.6447 26.4495 26.4495 27.4991 27.4991 27.8027 27.8027 28.0183 28.0183 k = 0.3286 0.5691 0.4951 ( 1152 PWs) bands (ev): -52.0301 -52.0301 -23.6596 -23.6596 -14.1971 -14.1971 -14.0429 -14.0429 10.8808 10.8808 11.0250 11.0250 15.2561 15.2561 16.6345 16.6345 16.8496 16.8496 24.6469 24.6469 26.4527 26.4527 27.4738 27.4738 27.7919 27.7919 28.0233 28.0233 k = 0.3238 0.5609 0.4951 ( 1148 PWs) bands (ev): -52.0302 -52.0302 -23.6594 -23.6594 -14.1977 -14.1977 -14.0417 -14.0417 10.8177 10.8177 11.0937 11.0937 15.2556 15.2556 16.6246 16.6246 16.8505 16.8505 24.6533 24.6533 26.4627 26.4627 27.4081 27.4081 27.7498 27.7498 28.0549 28.0549 k = 0.3190 0.5526 0.4951 ( 1144 PWs) bands (ev): -52.0302 -52.0302 -23.6592 -23.6592 -14.1988 -14.1988 -14.0397 -14.0397 10.7552 10.7552 11.1655 11.1655 15.2549 15.2549 16.6115 16.6115 16.8482 16.8482 24.6637 24.6637 26.4798 26.4798 27.3188 27.3188 27.6799 27.6799 28.1144 28.1144 k = 0.3143 0.5444 0.4951 ( 1146 PWs) bands (ev): -52.0303 -52.0303 -23.6590 -23.6590 -14.2003 -14.2003 -14.0370 -14.0370 10.6942 10.6942 11.2396 11.2396 15.2541 15.2541 16.5969 16.5969 16.8409 16.8409 24.6775 24.6775 26.5045 26.5045 27.2162 27.2162 27.5959 27.5959 28.1881 28.1881 k = 0.3095 0.5361 0.4951 ( 1142 PWs) bands (ev): -52.0304 -52.0304 -23.6586 -23.6586 -14.2019 -14.2019 -14.0336 -14.0336 10.6349 10.6349 11.3158 11.3158 15.2532 15.2532 16.5821 16.5821 16.8276 16.8276 24.6938 24.6938 26.5368 26.5368 27.1061 27.1061 27.5051 27.5051 28.2679 28.2679 k = 0.3048 0.5279 0.4951 ( 1146 PWs) bands (ev): -52.0306 -52.0306 -23.6582 -23.6582 -14.2038 -14.2038 -14.0297 -14.0297 10.5776 10.5776 11.3938 11.3938 15.2524 15.2524 16.5673 16.5673 16.8080 16.8080 24.7119 24.7119 26.5755 26.5755 26.9928 26.9928 27.4109 27.4109 28.3498 28.3498 k = 0.3000 0.5196 0.4951 ( 1146 PWs) bands (ev): -52.0308 -52.0308 -23.6577 -23.6577 -14.2058 -14.2058 -14.0252 -14.0252 10.5221 10.5221 11.4738 11.4738 15.2518 15.2518 16.5527 16.5527 16.7821 16.7821 24.7306 24.7306 26.6149 26.6149 26.8843 26.8843 27.3151 27.3151 28.4319 28.4319 k = 0.2952 0.5114 0.4951 ( 1146 PWs) bands (ev): -52.0310 -52.0310 -23.6570 -23.6570 -14.2078 -14.2078 -14.0203 -14.0203 10.4686 10.4686 11.5556 11.5556 15.2513 15.2513 16.5378 16.5378 16.7508 16.7508 24.7487 24.7487 26.6239 26.6239 26.8123 26.8123 27.2194 27.2194 28.5126 28.5126 k = 0.2905 0.5031 0.4951 ( 1154 PWs) bands (ev): -52.0313 -52.0313 -23.6564 -23.6564 -14.2099 -14.2099 -14.0150 -14.0150 10.4171 10.4171 11.6393 11.6393 15.2511 15.2511 16.5214 16.5214 16.7156 16.7156 24.7650 24.7650 26.5501 26.5501 26.8275 26.8275 27.1275 27.1275 28.5907 28.5907 k = 0.2857 0.4949 0.4951 ( 1154 PWs) bands (ev): -52.0315 -52.0315 -23.6555 -23.6555 -14.2118 -14.2118 -14.0093 -14.0093 10.3675 10.3675 11.7248 11.7248 15.2511 15.2511 16.5010 16.5010 16.6796 16.6796 24.7784 24.7784 26.4332 26.4332 26.8739 26.8739 27.0572 27.0572 28.6647 28.6647 k = 0.2810 0.4866 0.4951 ( 1154 PWs) bands (ev): -52.0319 -52.0319 -23.6546 -23.6546 -14.2137 -14.2137 -14.0033 -14.0033 10.3198 10.3198 11.8122 11.8122 15.2514 15.2514 16.4727 16.4727 16.6472 16.6472 24.7878 24.7878 26.3048 26.3048 26.8549 26.8549 27.0746 27.0746 28.7325 28.7325 k = 0.2762 0.4784 0.4951 ( 1154 PWs) bands (ev): -52.0322 -52.0322 -23.6536 -23.6536 -14.2154 -14.2154 -13.9970 -13.9970 10.2742 10.2742 11.9014 11.9014 15.2519 15.2519 16.4323 16.4323 16.6232 16.6232 24.7925 24.7925 26.1722 26.1722 26.7724 26.7724 27.1714 27.1714 28.7909 28.7909 k = 0.2714 0.4701 0.4951 ( 1150 PWs) bands (ev): -52.0326 -52.0326 -23.6525 -23.6525 -14.2169 -14.2169 -13.9904 -13.9904 10.2304 10.2304 11.9925 11.9925 15.2526 15.2526 16.3788 16.3788 16.6093 16.6093 24.7915 24.7915 26.0379 26.0379 26.6749 26.6749 27.2973 27.2973 28.8356 28.8356 k = 0.2667 0.4619 0.4951 ( 1150 PWs) bands (ev): -52.0330 -52.0330 -23.6513 -23.6513 -14.2182 -14.2182 -13.9836 -13.9836 10.1886 10.1886 12.0853 12.0853 15.2533 15.2533 16.3144 16.3144 16.6040 16.6040 24.7841 24.7841 25.9033 25.9033 26.5731 26.5731 27.4409 27.4409 28.8608 28.8608 k = 0.2619 0.4536 0.4951 ( 1154 PWs) bands (ev): -52.0335 -52.0335 -23.6500 -23.6500 -14.2193 -14.2193 -13.9766 -13.9766 10.1487 10.1487 12.1799 12.1799 15.2538 15.2538 16.2422 16.2422 16.6053 16.6053 24.7695 24.7695 25.7696 25.7696 26.4693 26.4693 27.5988 27.5988 28.8594 28.8594 k = 0.2571 0.4454 0.4951 ( 1154 PWs) bands (ev): -52.0340 -52.0340 -23.6485 -23.6485 -14.2202 -14.2202 -13.9694 -13.9694 10.1106 10.1106 12.2763 12.2763 15.2535 15.2535 16.1644 16.1644 16.6117 16.6117 24.7467 24.7467 25.6385 25.6385 26.3645 26.3645 27.7695 27.7695 28.8257 28.8257 k = 0.2524 0.4371 0.4951 ( 1154 PWs) bands (ev): -52.0345 -52.0345 -23.6470 -23.6470 -14.2208 -14.2208 -13.9619 -13.9619 10.0744 10.0744 12.3745 12.3745 15.2520 15.2520 16.0833 16.0833 16.6224 16.6224 24.7144 24.7144 25.5114 25.5114 26.2590 26.2590 27.9518 27.9518 28.7582 28.7582 k = 0.2476 0.4289 0.4951 ( 1154 PWs) bands (ev): -52.0350 -52.0350 -23.6454 -23.6454 -14.2213 -14.2213 -13.9543 -13.9543 10.0401 10.0401 12.4745 12.4745 15.2482 15.2482 16.0008 16.0008 16.6369 16.6369 24.6709 24.6709 25.3906 25.3906 26.1532 26.1532 28.1444 28.1444 28.6602 28.6602 k = 0.2429 0.4206 0.4951 ( 1154 PWs) bands (ev): -52.0356 -52.0356 -23.6437 -23.6437 -14.2214 -14.2214 -13.9466 -13.9466 10.0075 10.0075 12.5762 12.5762 15.2405 15.2405 15.9193 15.9193 16.6551 16.6551 24.6144 24.6144 25.2784 25.2784 26.0473 26.0473 28.3448 28.3448 28.5393 28.5393 k = 0.2381 0.4124 0.4951 ( 1154 PWs) bands (ev): -52.0362 -52.0362 -23.6419 -23.6419 -14.2213 -14.2213 -13.9386 -13.9386 9.9767 9.9767 12.6796 12.6796 15.2267 15.2267 15.8419 15.8419 16.6767 16.6767 24.5433 24.5433 25.1768 25.1768 25.9414 25.9414 28.3914 28.3914 28.5626 28.5626 k = 0.2333 0.4041 0.4951 ( 1154 PWs) bands (ev): -52.0369 -52.0369 -23.6399 -23.6399 -14.2210 -14.2210 -13.9305 -13.9305 9.9476 9.9476 12.7848 12.7848 15.2034 15.2034 15.7723 15.7723 16.7017 16.7017 24.4569 24.4569 25.0869 25.0869 25.8357 25.8357 28.2404 28.2404 28.7779 28.7779 k = 0.2286 0.3959 0.4951 ( 1154 PWs) bands (ev): -52.0376 -52.0376 -23.6379 -23.6379 -14.2205 -14.2205 -13.9222 -13.9222 9.9202 9.9202 12.8916 12.8916 15.1669 15.1669 15.7149 15.7149 16.7300 16.7300 24.3562 24.3562 25.0080 25.0080 25.7304 25.7304 28.0783 28.0783 29.0009 29.0009 k = 0.2238 0.3876 0.4951 ( 1154 PWs) bands (ev): -52.0383 -52.0383 -23.6358 -23.6358 -14.2197 -14.2197 -13.9138 -13.9138 9.8944 9.8944 13.0002 13.0002 15.1146 15.1146 15.6728 15.6728 16.7616 16.7616 24.2435 24.2435 24.9380 24.9380 25.6257 25.6257 27.9097 27.9097 29.2280 29.2280 k = 0.2190 0.3794 0.4951 ( 1150 PWs) bands (ev): -52.0390 -52.0390 -23.6336 -23.6336 -14.2187 -14.2187 -13.9052 -13.9052 9.8702 9.8702 13.1104 13.1104 15.0461 15.0461 15.6469 15.6469 16.7965 16.7965 24.1218 24.1218 24.8743 24.8743 25.5220 25.5220 27.7366 27.7366 29.4563 29.4563 k = 0.2143 0.3712 0.4951 ( 1150 PWs) bands (ev): -52.0398 -52.0398 -23.6314 -23.6314 -14.2175 -14.2175 -13.8964 -13.8964 9.8475 9.8475 13.2222 13.2222 14.9635 14.9635 15.6355 15.6355 16.8347 16.8347 23.9935 23.9935 24.8144 24.8144 25.4195 25.4195 27.5602 27.5602 29.6820 29.6820 k = 0.2095 0.3629 0.4951 ( 1150 PWs) bands (ev): -52.0405 -52.0405 -23.6290 -23.6290 -14.2161 -14.2161 -13.8875 -13.8875 9.8262 9.8262 13.3357 13.3357 14.8701 14.8701 15.6357 15.6357 16.8761 16.8761 23.8610 23.8610 24.7561 24.7561 25.3188 25.3188 27.3815 27.3815 29.8991 29.8991 k = 0.2048 0.3547 0.4951 ( 1146 PWs) bands (ev): -52.0413 -52.0413 -23.6266 -23.6266 -14.2146 -14.2146 -13.8784 -13.8784 9.8064 9.8064 13.4508 13.4508 14.7688 14.7688 15.6449 15.6449 16.9207 16.9207 23.7257 23.7257 24.6974 24.6974 25.2204 25.2204 27.2011 27.2011 30.0988 30.0988 k = 0.2000 0.3464 0.4951 ( 1146 PWs) bands (ev): -52.0422 -52.0422 -23.6241 -23.6241 -14.2129 -14.2129 -13.8692 -13.8692 9.7880 9.7880 13.5674 13.5674 14.6621 14.6621 15.6612 15.6612 16.9686 16.9686 23.5891 23.5891 24.6370 24.6370 25.1250 25.1250 27.0195 27.0195 30.2702 30.2702 k = 0.1952 0.3382 0.4951 ( 1142 PWs) bands (ev): -52.0430 -52.0430 -23.6215 -23.6215 -14.2111 -14.2111 -13.8598 -13.8598 9.7709 9.7709 13.6855 13.6855 14.5517 14.5517 15.6832 15.6832 17.0196 17.0196 23.4519 23.4519 24.5733 24.5733 25.0334 25.0334 26.8371 26.8371 30.4044 30.4044 k = 0.1905 0.3299 0.4951 ( 1142 PWs) bands (ev): -52.0439 -52.0439 -23.6189 -23.6189 -14.2091 -14.2091 -13.8503 -13.8503 9.7551 9.7551 13.8049 13.8049 14.4389 14.4389 15.7100 15.7100 17.0738 17.0738 23.3148 23.3148 24.5051 24.5051 24.9466 24.9466 26.6540 26.6540 30.4986 30.4986 k = 0.1857 0.3217 0.4951 ( 1146 PWs) bands (ev): -52.0448 -52.0448 -23.6163 -23.6163 -14.2071 -14.2071 -13.8407 -13.8407 9.7404 9.7404 13.9252 13.9252 14.3251 14.3251 15.7410 15.7410 17.1311 17.1311 23.1785 23.1785 24.4314 24.4314 24.8653 24.8653 26.4707 26.4707 30.5552 30.5552 k = 0.1810 0.3134 0.4951 ( 1146 PWs) bands (ev): -52.0457 -52.0457 -23.6136 -23.6136 -14.2050 -14.2050 -13.8309 -13.8309 9.7269 9.7269 14.0436 14.0436 14.2136 14.2136 15.7759 15.7759 17.1916 17.1916 23.0433 23.0433 24.3517 24.3517 24.7898 24.7898 26.2871 26.2871 30.5787 30.5787 k = 0.1762 0.3052 0.4951 ( 1146 PWs) bands (ev): -52.0467 -52.0467 -23.6108 -23.6108 -14.2028 -14.2028 -13.8209 -13.8209 9.7145 9.7145 14.0762 14.0762 14.1889 14.1889 15.8145 15.8145 17.2551 17.2551 22.9096 22.9096 24.2658 24.2658 24.7200 24.7200 26.1037 26.1037 30.5738 30.5738 k = 0.1714 0.2969 0.4951 ( 1142 PWs) bands (ev): -52.0476 -52.0476 -23.6080 -23.6080 -14.2005 -14.2005 -13.8108 -13.8108 9.7032 9.7032 13.9685 13.9685 14.3059 14.3059 15.8565 15.8565 17.3216 17.3216 22.7777 22.7777 24.1742 24.1742 24.6553 24.6553 25.9204 25.9204 30.5447 30.5447 k = 0.1667 0.2887 0.4951 ( 1142 PWs) bands (ev): -52.0485 -52.0485 -23.6052 -23.6052 -14.1982 -14.1982 -13.8006 -13.8006 9.6928 9.6928 13.8537 13.8537 14.4317 14.4317 15.9019 15.9019 17.3910 17.3910 22.6479 22.6479 24.0777 24.0777 24.5949 24.5949 25.7376 25.7376 30.4949 30.4949 k = 0.1619 0.2804 0.4951 ( 1152 PWs) bands (ev): -52.0495 -52.0495 -23.6024 -23.6024 -14.1960 -14.1960 -13.7903 -13.7903 9.6833 9.6833 13.7385 13.7385 14.5599 14.5599 15.9506 15.9506 17.4634 17.4634 22.5204 22.5204 23.9769 23.9769 24.5377 24.5377 25.5556 25.5556 30.4270 30.4270 k = 0.1571 0.2722 0.4951 ( 1148 PWs) bands (ev): -52.0505 -52.0505 -23.5996 -23.5996 -14.1936 -14.1936 -13.7798 -13.7798 9.6747 9.6747 13.6239 13.6239 14.6897 14.6897 16.0026 16.0026 17.5386 17.5386 22.3954 22.3954 23.8727 23.8727 24.4828 24.4828 25.3746 25.3746 30.3430 30.3430 k = 0.1524 0.2639 0.4951 ( 1148 PWs) bands (ev): -52.0514 -52.0514 -23.5967 -23.5967 -14.1913 -14.1913 -13.7693 -13.7693 9.6669 9.6669 13.5102 13.5102 14.8211 14.8211 16.0579 16.0579 17.6165 17.6165 22.2731 22.2731 23.7656 23.7656 24.4289 24.4289 25.1955 25.1955 30.2449 30.2449 k = 0.1476 0.2557 0.4951 ( 1148 PWs) bands (ev): -52.0524 -52.0524 -23.5938 -23.5938 -14.1891 -14.1891 -13.7587 -13.7587 9.6599 9.6599 13.3978 13.3978 14.9538 14.9538 16.1164 16.1164 17.6971 17.6971 22.1536 22.1536 23.6560 23.6560 24.3746 24.3746 25.0191 25.0191 30.1340 30.1340 k = 0.1429 0.2474 0.4951 ( 1148 PWs) bands (ev): -52.0534 -52.0534 -23.5910 -23.5910 -14.1868 -14.1868 -13.7481 -13.7481 9.6536 9.6536 13.2870 13.2870 15.0879 15.0879 16.1781 16.1781 17.7803 17.7803 22.0371 22.0371 23.5443 23.5443 24.3176 24.3176 24.8476 24.8476 30.0118 30.0118 k = 0.1381 0.2392 0.4951 ( 1148 PWs) bands (ev): -52.0543 -52.0543 -23.5881 -23.5881 -14.1846 -14.1846 -13.7374 -13.7374 9.6479 9.6479 13.1778 13.1778 15.2232 15.2232 16.2431 16.2431 17.8660 17.8660 21.9238 21.9238 23.4307 23.4307 24.2539 24.2539 24.6847 24.6847 29.8796 29.8796 k = 0.1333 0.2309 0.4951 ( 1144 PWs) bands (ev): -52.0553 -52.0553 -23.5852 -23.5852 -14.1824 -14.1824 -13.7267 -13.7267 9.6429 9.6429 13.0706 13.0706 15.3597 15.3597 16.3114 16.3114 17.9540 17.9540 21.8138 21.8138 23.3154 23.3154 24.1761 24.1761 24.5378 24.5378 29.7386 29.7386 k = 0.1286 0.2227 0.4951 ( 1148 PWs) bands (ev): -52.0562 -52.0562 -23.5824 -23.5824 -14.1803 -14.1803 -13.7160 -13.7160 9.6385 9.6385 12.9654 12.9654 15.4974 15.4974 16.3829 16.3829 18.0442 18.0442 21.7071 21.7071 23.1986 23.1986 24.0739 24.0739 24.4170 24.4170 29.5899 29.5899 k = 0.1238 0.2144 0.4951 ( 1148 PWs) bands (ev): -52.0572 -52.0572 -23.5797 -23.5797 -14.1783 -14.1783 -13.7054 -13.7054 9.6346 9.6346 12.8626 12.8626 15.6362 15.6362 16.4576 16.4576 18.1365 18.1365 21.6038 21.6038 23.0803 23.0803 23.9431 23.9431 24.3266 24.3266 29.4348 29.4348 k = 0.1190 0.2062 0.4951 ( 1148 PWs) bands (ev): -52.0581 -52.0581 -23.5769 -23.5769 -14.1763 -14.1763 -13.6947 -13.6947 9.6311 9.6311 12.7621 12.7621 15.7761 15.7761 16.5357 16.5357 18.2306 18.2306 21.5042 21.5042 22.9605 22.9605 23.7907 23.7907 24.2595 24.2595 29.2742 29.2742 k = 0.1143 0.1979 0.4951 ( 1148 PWs) bands (ev): -52.0590 -52.0590 -23.5742 -23.5742 -14.1745 -14.1745 -13.6842 -13.6842 9.6282 9.6282 12.6643 12.6643 15.9169 15.9169 16.6170 16.6170 18.3265 18.3265 21.4082 21.4082 22.8393 22.8393 23.6263 23.6263 24.2062 24.2062 29.1092 29.1092 k = 0.1095 0.1897 0.4951 ( 1152 PWs) bands (ev): -52.0599 -52.0599 -23.5716 -23.5716 -14.1727 -14.1727 -13.6739 -13.6739 9.6256 9.6256 12.5692 12.5692 16.0587 16.0587 16.7015 16.7015 18.4239 18.4239 21.3160 21.3160 22.7168 22.7168 23.4557 23.4557 24.1610 24.1610 28.9408 28.9408 k = 0.1048 0.1815 0.4951 ( 1152 PWs) bands (ev): -52.0608 -52.0608 -23.5690 -23.5690 -14.1709 -14.1709 -13.6636 -13.6636 9.6234 9.6234 12.4770 12.4770 16.2014 16.2014 16.7893 16.7893 18.5225 18.5225 21.2277 21.2277 22.5929 22.5929 23.2820 23.2820 24.1208 24.1208 28.7699 28.7699 k = 0.1000 0.1732 0.4951 ( 1152 PWs) bands (ev): -52.0617 -52.0617 -23.5665 -23.5665 -14.1693 -14.1693 -13.6535 -13.6535 9.6216 9.6216 12.3878 12.3878 16.3449 16.3449 16.8804 16.8804 18.6221 18.6221 21.1433 21.1433 22.4677 22.4677 23.1067 23.1067 24.0841 24.0841 28.5973 28.5973 k = 0.0952 0.1650 0.4951 ( 1152 PWs) bands (ev): -52.0625 -52.0625 -23.5640 -23.5640 -14.1677 -14.1677 -13.6436 -13.6436 9.6200 9.6200 12.3018 12.3018 16.4891 16.4891 16.9746 16.9746 18.7223 18.7223 21.0630 21.0630 22.3411 22.3411 22.9309 22.9309 24.0501 24.0501 28.4240 28.4240 k = 0.0905 0.1567 0.4951 ( 1154 PWs) bands (ev): -52.0633 -52.0633 -23.5617 -23.5617 -14.1663 -14.1663 -13.6340 -13.6340 9.6188 9.6188 12.2191 12.2191 16.6340 16.6340 17.0721 17.0721 18.8229 18.8229 20.9868 20.9868 22.2132 22.2132 22.7549 22.7549 24.0184 24.0184 28.2508 28.2508 k = 0.0857 0.1485 0.4951 ( 1150 PWs) bands (ev): -52.0641 -52.0641 -23.5593 -23.5593 -14.1649 -14.1649 -13.6246 -13.6246 9.6178 9.6178 12.1398 12.1398 16.7794 16.7794 17.1728 17.1728 18.9235 18.9235 20.9148 20.9148 22.0840 22.0840 22.5793 22.5793 23.9886 23.9886 28.0784 28.0784 k = 0.0810 0.1402 0.4951 ( 1150 PWs) bands (ev): -52.0648 -52.0648 -23.5571 -23.5571 -14.1636 -14.1636 -13.6155 -13.6155 9.6170 9.6170 12.0640 12.0640 16.9253 16.9253 17.2767 17.2767 19.0234 19.0234 20.8473 20.8473 21.9536 21.9536 22.4043 22.4043 23.9607 23.9607 27.9078 27.9078 k = 0.0762 0.1320 0.4951 ( 1148 PWs) bands (ev): -52.0656 -52.0656 -23.5550 -23.5550 -14.1624 -14.1624 -13.6067 -13.6067 9.6164 9.6164 11.9919 11.9919 17.0715 17.0715 17.3837 17.3837 19.1224 19.1224 20.7843 20.7843 21.8218 21.8218 22.2302 22.2302 23.9345 23.9345 27.7396 27.7396 k = 0.0714 0.1237 0.4951 ( 1144 PWs) bands (ev): -52.0662 -52.0662 -23.5530 -23.5530 -14.1612 -14.1612 -13.5983 -13.5983 9.6160 9.6160 11.9236 11.9236 17.2178 17.2178 17.4938 17.4938 19.2197 19.2197 20.7260 20.7260 21.6887 21.6887 22.0571 22.0571 23.9099 23.9099 27.5748 27.5748 k = 0.0667 0.1155 0.4951 ( 1140 PWs) bands (ev): -52.0669 -52.0669 -23.5510 -23.5510 -14.1602 -14.1602 -13.5902 -13.5902 9.6158 9.6158 11.8591 11.8591 17.3642 17.3642 17.6071 17.6071 19.3146 19.3146 20.6726 20.6726 21.5545 21.5545 21.8853 21.8853 23.8869 23.8869 27.4141 27.4141 k = 0.0619 0.1072 0.4951 ( 1140 PWs) bands (ev): -52.0675 -52.0675 -23.5493 -23.5493 -14.1592 -14.1592 -13.5826 -13.5826 9.6157 9.6157 11.7986 11.7986 17.5104 17.5104 17.7235 17.7235 19.4063 19.4063 20.6244 20.6244 21.4191 21.4191 21.7149 21.7149 23.8656 23.8656 27.2583 27.2583 k = 0.0571 0.0990 0.4951 ( 1140 PWs) bands (ev): -52.0681 -52.0681 -23.5476 -23.5476 -14.1584 -14.1584 -13.5754 -13.5754 9.6156 9.6156 11.7422 11.7422 17.6560 17.6560 17.8430 17.8430 19.4940 19.4940 20.5816 20.5816 21.2826 21.2826 21.5462 21.5462 23.8458 23.8458 27.1084 27.1084 k = 0.0524 0.0907 0.4951 ( 1136 PWs) bands (ev): -52.0686 -52.0686 -23.5460 -23.5460 -14.1575 -14.1575 -13.5687 -13.5687 9.6157 9.6157 11.6899 11.6899 17.8010 17.8010 17.9656 17.9656 19.5765 19.5765 20.5448 20.5448 21.1451 21.1451 21.3796 21.3796 23.8275 23.8275 26.9652 26.9652 k = 0.0476 0.0825 0.4951 ( 1136 PWs) bands (ev): -52.0691 -52.0691 -23.5446 -23.5446 -14.1568 -14.1568 -13.5625 -13.5625 9.6159 9.6159 11.6419 11.6419 17.9447 17.9447 18.0913 18.0913 19.6526 19.6526 20.5143 20.5143 21.0068 21.0068 21.2152 21.2152 23.8109 23.8109 26.8297 26.8297 k = 0.0429 0.0742 0.4951 ( 1136 PWs) bands (ev): -52.0695 -52.0695 -23.5432 -23.5432 -14.1562 -14.1562 -13.5568 -13.5568 9.6160 9.6160 11.5981 11.5981 18.0870 18.0870 18.2198 18.2198 19.7211 19.7211 20.4905 20.4905 20.8678 20.8678 21.0534 21.0534 23.7958 23.7958 26.7028 26.7028 k = 0.0381 0.0660 0.4951 ( 1140 PWs) bands (ev): -52.0699 -52.0699 -23.5421 -23.5421 -14.1556 -14.1556 -13.5516 -13.5516 9.6163 9.6163 11.5588 11.5588 18.2274 18.2274 18.3509 18.3509 19.7806 19.7806 20.4737 20.4737 20.7287 20.7287 20.8950 20.8950 23.7823 23.7823 26.5856 26.5856 k = 0.0333 0.0577 0.4951 ( 1142 PWs) bands (ev): -52.0703 -52.0703 -23.5411 -23.5411 -14.1552 -14.1552 -13.5470 -13.5470 9.6165 9.6165 11.5240 11.5240 18.3655 18.3655 18.4840 18.4840 19.8301 19.8301 20.4635 20.4635 20.5900 20.5900 20.7406 20.7406 23.7703 23.7703 26.4790 26.4790 k = 0.0286 0.0495 0.4951 ( 1142 PWs) bands (ev): -52.0706 -52.0706 -23.5401 -23.5401 -14.1547 -14.1547 -13.5430 -13.5430 9.6167 9.6167 11.4936 11.4936 18.5009 18.5009 18.6181 18.6181 19.8688 19.8688 20.4453 20.4453 20.4652 20.4652 20.5930 20.5930 23.7600 23.7600 26.3840 26.3840 k = 0.0238 0.0412 0.4951 ( 1142 PWs) bands (ev): -52.0709 -52.0709 -23.5394 -23.5394 -14.1544 -14.1544 -13.5396 -13.5396 9.6170 9.6170 11.4679 11.4679 18.6326 18.6326 18.7516 18.7516 19.8966 19.8966 20.3154 20.3154 20.4259 20.4259 20.4858 20.4858 23.7512 23.7512 26.3016 26.3016 k = 0.0190 0.0330 0.4951 ( 1142 PWs) bands (ev): -52.0711 -52.0711 -23.5387 -23.5387 -14.1541 -14.1541 -13.5368 -13.5368 9.6172 9.6172 11.4467 11.4467 18.7589 18.7589 18.8823 18.8823 19.9132 19.9132 20.1852 20.1852 20.3030 20.3030 20.4802 20.4802 23.7440 23.7440 26.2327 26.2327 k = 0.0143 0.0247 0.4951 ( 1142 PWs) bands (ev): -52.0713 -52.0713 -23.5382 -23.5382 -14.1538 -14.1538 -13.5345 -13.5345 9.6173 9.6173 11.4303 11.4303 18.8763 18.8763 19.0062 19.0062 19.9169 19.9169 20.0637 20.0637 20.1849 20.1849 20.4872 20.4872 23.7384 23.7384 26.1781 26.1781 k = 0.0095 0.0165 0.4951 ( 1142 PWs) bands (ev): -52.0714 -52.0714 -23.5379 -23.5379 -14.1537 -14.1537 -13.5330 -13.5330 9.6175 9.6175 11.4185 11.4185 18.9780 18.9780 19.1162 19.1162 19.9022 19.9022 19.9587 19.9587 20.0950 20.0950 20.4947 20.4947 23.7344 23.7344 26.1387 26.1387 k = 0.0048 0.0082 0.4951 ( 1142 PWs) bands (ev): -52.0715 -52.0715 -23.5376 -23.5376 -14.1536 -14.1536 -13.5320 -13.5320 9.6175 9.6175 11.4114 11.4114 19.0513 19.0513 19.1982 19.1982 19.8699 19.8699 19.8830 19.8830 20.0482 20.0482 20.5001 20.5001 23.7320 23.7320 26.1147 26.1147 k = 0.0000 0.0000 0.4951 ( 1142 PWs) bands (ev): -52.0715 -52.0715 -23.5376 -23.5376 -14.1536 -14.1536 -13.5317 -13.5317 9.6176 9.6176 11.4090 11.4090 19.0789 19.0789 19.2301 19.2301 19.8513 19.8513 19.8545 19.8545 20.0360 20.0360 20.5020 20.5020 23.7312 23.7312 26.1067 26.1067 k = 0.5000 0.2887 0.4951 ( 1160 PWs) bands (ev): -52.0347 -52.0347 -23.6471 -23.6471 -14.2805 -14.2805 -13.8916 -13.8916 9.7577 9.7577 13.4299 13.4299 14.6733 14.6733 14.8877 14.8877 17.7683 17.7683 24.9546 24.9546 25.0182 25.0182 26.0004 26.0004 28.1180 28.1180 28.3945 28.3945 k = 0.5000 0.2887 0.4856 ( 1156 PWs) bands (ev): -52.0348 -52.0348 -23.6470 -23.6470 -14.2803 -14.2803 -13.8915 -13.8915 9.7590 9.7590 13.4203 13.4203 14.6760 14.6760 14.8959 14.8959 17.7676 17.7676 24.9478 24.9478 24.9984 24.9984 26.0194 26.0194 28.1273 28.1273 28.3857 28.3857 k = 0.5000 0.2887 0.4760 ( 1156 PWs) bands (ev): -52.0348 -52.0348 -23.6469 -23.6469 -14.2797 -14.2797 -13.8915 -13.8915 9.7628 9.7628 13.3922 13.3922 14.6835 14.6835 14.9202 14.9202 17.7653 17.7653 24.9006 24.9006 24.9721 24.9721 26.0702 26.0702 28.1551 28.1551 28.3601 28.3601 k = 0.5000 0.2887 0.4665 ( 1154 PWs) bands (ev): -52.0349 -52.0349 -23.6466 -23.6466 -14.2788 -14.2788 -13.8914 -13.8914 9.7691 9.7691 13.3477 13.3477 14.6949 14.6949 14.9597 14.9597 17.7614 17.7614 24.8021 24.8021 24.9633 24.9633 26.1395 26.1395 28.1985 28.1985 28.3210 28.3210 k = 0.5000 0.2887 0.4570 ( 1150 PWs) bands (ev): -52.0350 -52.0350 -23.6462 -23.6462 -14.2775 -14.2775 -13.8913 -13.8913 9.7779 9.7779 13.2894 13.2894 14.7094 14.7094 15.0122 15.0122 17.7561 17.7561 24.6791 24.6791 24.9572 24.9572 26.2150 26.2150 28.2228 28.2228 28.3042 28.3042 k = 0.5000 0.2887 0.4475 ( 1150 PWs) bands (ev): -52.0351 -52.0351 -23.6457 -23.6457 -14.2758 -14.2758 -13.8912 -13.8912 9.7892 9.7892 13.2201 13.2201 14.7266 14.7266 15.0755 15.0755 17.7492 17.7492 24.5431 24.5431 24.9508 24.9508 26.2884 26.2884 28.1634 28.1634 28.3755 28.3755 k = 0.5000 0.2887 0.4380 ( 1152 PWs) bands (ev): -52.0353 -52.0353 -23.6452 -23.6452 -14.2738 -14.2738 -13.8910 -13.8910 9.8029 9.8029 13.1421 13.1421 14.7463 14.7463 15.1471 15.1471 17.7407 17.7407 24.4004 24.4004 24.9434 24.9434 26.3548 26.3548 28.0757 28.0757 28.4800 28.4800 k = 0.5000 0.2887 0.4284 ( 1152 PWs) bands (ev): -52.0355 -52.0355 -23.6445 -23.6445 -14.2715 -14.2715 -13.8908 -13.8908 9.8191 9.8191 13.0576 13.0576 14.7687 14.7687 15.2247 15.2247 17.7308 17.7308 24.2547 24.2547 24.9349 24.9349 26.4116 26.4116 27.9738 27.9738 28.6044 28.6044 k = 0.5000 0.2887 0.4189 ( 1154 PWs) bands (ev): -52.0357 -52.0357 -23.6438 -23.6438 -14.2688 -14.2688 -13.8905 -13.8905 9.8378 9.8378 12.9682 12.9682 14.7939 14.7939 15.3066 15.3066 17.7193 17.7193 24.1086 24.1086 24.9253 24.9253 26.4580 26.4580 27.8606 27.8606 28.7453 28.7453 k = 0.5000 0.2887 0.4094 ( 1154 PWs) bands (ev): -52.0360 -52.0360 -23.6430 -23.6430 -14.2659 -14.2659 -13.8902 -13.8902 9.8587 9.8587 12.8750 12.8750 14.8218 14.8218 15.3911 15.3911 17.7064 17.7064 23.9641 23.9641 24.9147 24.9147 26.4942 26.4942 27.7381 27.7381 28.8995 28.8995 k = 0.5000 0.2887 0.3999 ( 1154 PWs) bands (ev): -52.0363 -52.0363 -23.6420 -23.6420 -14.2626 -14.2626 -13.8898 -13.8898 9.8821 9.8821 12.7793 12.7793 14.8526 14.8526 15.4771 15.4771 17.6919 17.6919 23.8227 23.8227 24.9030 24.9030 26.5207 26.5207 27.6081 27.6081 29.0410 29.0410 k = 0.5000 0.2887 0.3904 ( 1154 PWs) bands (ev): -52.0366 -52.0366 -23.6410 -23.6410 -14.2592 -14.2592 -13.8893 -13.8893 9.9077 9.9077 12.6816 12.6816 14.8862 14.8862 15.5635 15.5635 17.6760 17.6760 23.6854 23.6854 24.8902 24.8902 26.5384 26.5384 27.4720 27.4720 29.0484 29.0484 k = 0.5000 0.2887 0.3808 ( 1154 PWs) bands (ev): -52.0369 -52.0369 -23.6399 -23.6399 -14.2554 -14.2554 -13.8887 -13.8887 9.9355 9.9355 12.5826 12.5826 14.9227 14.9227 15.6495 15.6495 17.6586 17.6586 23.5533 23.5533 24.8765 24.8765 26.5481 26.5481 27.3313 27.3313 29.0430 29.0430 k = 0.5000 0.2887 0.3713 ( 1166 PWs) bands (ev): -52.0373 -52.0373 -23.6389 -23.6389 -14.2516 -14.2516 -13.8880 -13.8880 9.9655 9.9655 12.4829 12.4829 14.9621 14.9621 15.7344 15.7344 17.6397 17.6397 23.4271 23.4271 24.8619 24.8619 26.5502 26.5502 27.1875 27.1875 29.0366 29.0366 k = 0.5000 0.2887 0.3618 ( 1166 PWs) bands (ev): -52.0376 -52.0376 -23.6376 -23.6376 -14.2475 -14.2475 -13.8871 -13.8871 9.9977 9.9977 12.3828 12.3828 15.0043 15.0043 15.8175 15.8175 17.6194 17.6194 23.3077 23.3077 24.8464 24.8464 26.5445 26.5445 27.0425 27.0425 29.0298 29.0298 k = 0.5000 0.2887 0.3523 ( 1164 PWs) bands (ev): -52.0380 -52.0380 -23.6363 -23.6363 -14.2432 -14.2432 -13.8861 -13.8861 10.0319 10.0319 12.2827 12.2827 15.0493 15.0493 15.8981 15.8981 17.5976 17.5976 23.1958 23.1958 24.8301 24.8301 26.5289 26.5289 26.8999 26.8999 29.0225 29.0225 k = 0.5000 0.2887 0.3427 ( 1162 PWs) bands (ev): -52.0385 -52.0385 -23.6349 -23.6349 -14.2389 -14.2389 -13.8850 -13.8850 10.0680 10.0680 12.1829 12.1829 15.0970 15.0970 15.9759 15.9759 17.5745 17.5745 23.0918 23.0918 24.8131 24.8131 26.4967 26.4967 26.7677 26.7677 29.0147 29.0147 k = 0.5000 0.2887 0.3332 ( 1162 PWs) bands (ev): -52.0389 -52.0389 -23.6335 -23.6335 -14.2344 -14.2344 -13.8837 -13.8837 10.1061 10.1061 12.0836 12.0836 15.1475 15.1475 16.0502 16.0502 17.5500 17.5500 22.9965 22.9965 24.7953 24.7953 26.4314 26.4314 26.6634 26.6634 29.0063 29.0063 k = 0.5000 0.2887 0.3237 ( 1162 PWs) bands (ev): -52.0393 -52.0393 -23.6320 -23.6320 -14.2299 -14.2299 -13.8821 -13.8821 10.1459 10.1459 11.9850 11.9850 15.2006 15.2006 16.1208 16.1208 17.5241 17.5241 22.9101 22.9101 24.7768 24.7768 26.3214 26.3214 26.5997 26.5997 28.9973 28.9973 k = 0.5000 0.2887 0.3142 ( 1166 PWs) bands (ev): -52.0398 -52.0398 -23.6305 -23.6305 -14.2255 -14.2255 -13.8804 -13.8804 10.1875 10.1875 11.8875 11.8875 15.2563 15.2563 16.1870 16.1870 17.4968 17.4968 22.8333 22.8333 24.7576 24.7576 26.1831 26.1831 26.5608 26.5608 28.9876 28.9876 k = 0.5000 0.2887 0.3047 ( 1162 PWs) bands (ev): -52.0403 -52.0403 -23.6289 -23.6289 -14.2209 -14.2209 -13.8785 -13.8785 10.2306 10.2306 11.7911 11.7911 15.3144 15.3144 16.2487 16.2487 17.4683 17.4683 22.7663 22.7663 24.7378 24.7378 26.0331 26.0331 26.5309 26.5309 28.9772 28.9772 k = 0.5000 0.2887 0.2951 ( 1158 PWs) bands (ev): -52.0408 -52.0408 -23.6273 -23.6273 -14.2165 -14.2165 -13.8763 -13.8763 10.2753 10.2753 11.6960 11.6960 15.3750 15.3750 16.3056 16.3056 17.4386 17.4386 22.7096 22.7096 24.7172 24.7172 25.8783 25.8783 26.5038 26.5038 28.9660 28.9660 k = 0.5000 0.2887 0.2856 ( 1154 PWs) bands (ev): -52.0413 -52.0413 -23.6257 -23.6257 -14.2121 -14.2121 -13.8739 -13.8739 10.3212 10.3212 11.6025 11.6025 15.4379 15.4379 16.3574 16.3574 17.4075 17.4075 22.6633 22.6633 24.6959 24.6959 25.7218 25.7218 26.4772 26.4772 28.9540 28.9540 k = 0.5000 0.2887 0.2761 ( 1154 PWs) bands (ev): -52.0418 -52.0418 -23.6240 -23.6240 -14.2079 -14.2079 -13.8713 -13.8713 10.3684 10.3684 11.5106 11.5106 15.5030 15.5030 16.4038 16.4038 17.3753 17.3753 22.6275 22.6275 24.6735 24.6735 25.5650 25.5650 26.4501 26.4501 28.9412 28.9412 k = 0.5000 0.2887 0.2666 ( 1150 PWs) bands (ev): -52.0423 -52.0423 -23.6223 -23.6223 -14.2037 -14.2037 -13.8684 -13.8684 10.4166 10.4166 11.4207 11.4207 15.5701 15.5701 16.4450 16.4450 17.3420 17.3420 22.6025 22.6025 24.6498 24.6498 25.4093 25.4093 26.4223 26.4223 28.9275 28.9275 k = 0.5000 0.2887 0.2571 ( 1154 PWs) bands (ev): -52.0428 -52.0428 -23.6207 -23.6207 -14.1998 -14.1998 -13.8653 -13.8653 10.4655 10.4655 11.3328 11.3328 15.6393 15.6393 16.4808 16.4808 17.3075 17.3075 22.5881 22.5881 24.6239 24.6239 25.2558 25.2558 26.3936 26.3936 28.9128 28.9128 k = 0.5000 0.2887 0.2475 ( 1154 PWs) bands (ev): -52.0433 -52.0433 -23.6190 -23.6190 -14.1960 -14.1960 -13.8620 -13.8620 10.5150 10.5150 11.2473 11.2473 15.7102 15.7102 16.5113 16.5113 17.2721 17.2721 22.5842 22.5842 24.5944 24.5944 25.1066 25.1066 26.3640 26.3640 28.8973 28.8973 k = 0.5000 0.2887 0.2380 ( 1154 PWs) bands (ev): -52.0438 -52.0438 -23.6174 -23.6174 -14.1924 -14.1924 -13.8585 -13.8585 10.5646 10.5646 11.1645 11.1645 15.7829 15.7829 16.5366 16.5366 17.2358 17.2358 22.5908 22.5908 24.5582 24.5582 24.9653 24.9653 26.3333 26.3333 28.8810 28.8810 k = 0.5000 0.2887 0.2285 ( 1150 PWs) bands (ev): -52.0443 -52.0443 -23.6157 -23.6157 -14.1890 -14.1890 -13.8547 -13.8547 10.6137 10.6137 11.0851 11.0851 15.8570 15.8570 16.5570 16.5570 17.1987 17.1987 22.6074 22.6074 24.5087 24.5087 24.8385 24.8385 26.3016 26.3016 28.8638 28.8638 k = 0.5000 0.2887 0.2190 ( 1150 PWs) bands (ev): -52.0448 -52.0448 -23.6140 -23.6140 -14.1858 -14.1858 -13.8507 -13.8507 10.6609 10.6609 11.0103 11.0103 15.9324 15.9324 16.5726 16.5726 17.1609 17.1609 22.6338 22.6338 24.4359 24.4359 24.7370 24.7370 26.2688 26.2688 28.8458 28.8458 k = 0.5000 0.2887 0.2095 ( 1152 PWs) bands (ev): -52.0453 -52.0453 -23.6124 -23.6124 -14.1829 -14.1829 -13.8466 -13.8466 10.7026 10.7026 10.9438 10.9438 16.0089 16.0089 16.5839 16.5839 17.1226 17.1226 22.6694 22.6694 24.3342 24.3342 24.6664 24.6664 26.2349 26.2349 28.8271 28.8271 k = 0.5000 0.2887 0.1999 ( 1150 PWs) bands (ev): -52.0458 -52.0458 -23.6108 -23.6108 -14.1802 -14.1802 -13.8423 -13.8423 10.7272 10.7272 10.8969 10.8969 16.0862 16.0862 16.5911 16.5911 17.0840 17.0840 22.7138 22.7138 24.2115 24.2115 24.6193 24.6193 26.1999 26.1999 28.8077 28.8077 k = 0.5000 0.2887 0.1904 ( 1146 PWs) bands (ev): -52.0463 -52.0463 -23.6092 -23.6092 -14.1776 -14.1776 -13.8379 -13.8379 10.7130 10.7130 10.8915 10.8915 16.1640 16.1640 16.5947 16.5947 17.0453 17.0453 22.7664 22.7664 24.0784 24.0784 24.5855 24.5855 26.1638 26.1638 28.7878 28.7878 k = 0.5000 0.2887 0.1809 ( 1146 PWs) bands (ev): -52.0468 -52.0468 -23.6077 -23.6077 -14.1754 -14.1754 -13.8334 -13.8334 10.6659 10.6659 10.9214 10.9214 16.2419 16.2419 16.5952 16.5952 17.0068 17.0068 22.8265 22.8265 23.9415 23.9415 24.5586 24.5586 26.1265 26.1265 28.7675 28.7675 k = 0.5000 0.2887 0.1714 ( 1142 PWs) bands (ev): -52.0473 -52.0473 -23.6062 -23.6062 -14.1733 -14.1733 -13.8288 -13.8288 10.6084 10.6084 10.9640 10.9640 16.3195 16.3195 16.5928 16.5928 16.9688 16.9688 22.8936 22.8936 23.8042 23.8042 24.5359 24.5359 26.0878 26.0878 28.7469 28.7469 k = 0.5000 0.2887 0.1619 ( 1146 PWs) bands (ev): -52.0477 -52.0477 -23.6047 -23.6047 -14.1715 -14.1715 -13.8242 -13.8242 10.5493 10.5493 11.0104 11.0104 16.3959 16.3959 16.5883 16.5883 16.9318 16.9318 22.9669 22.9669 23.6682 23.6682 24.5157 24.5157 26.0479 26.0479 28.7261 28.7261 k = 0.5000 0.2887 0.1523 ( 1146 PWs) bands (ev): -52.0481 -52.0481 -23.6034 -23.6034 -14.1698 -14.1698 -13.8197 -13.8197 10.4913 10.4913 11.0578 11.0578 16.4697 16.4697 16.5826 16.5826 16.8967 16.8967 23.0455 23.0455 23.5349 23.5349 24.4974 24.4974 26.0064 26.0064 28.7053 28.7053 k = 0.5000 0.2887 0.1428 ( 1146 PWs) bands (ev): -52.0486 -52.0486 -23.6020 -23.6020 -14.1683 -14.1683 -13.8151 -13.8151 10.4355 10.4355 11.1049 11.1049 16.5344 16.5344 16.5808 16.5808 16.8650 16.8650 23.1285 23.1285 23.4055 23.4055 24.4807 24.4807 25.9635 25.9635 28.6847 28.6847 k = 0.5000 0.2887 0.1333 ( 1150 PWs) bands (ev): -52.0490 -52.0490 -23.6008 -23.6008 -14.1671 -14.1671 -13.8107 -13.8107 10.3825 10.3825 11.1511 11.1511 16.5535 16.5535 16.6160 16.6160 16.8404 16.8404 23.2101 23.2101 23.2856 23.2856 24.4652 24.4652 25.9190 25.9190 28.6645 28.6645 k = 0.5000 0.2887 0.1238 ( 1150 PWs) bands (ev): -52.0493 -52.0493 -23.5996 -23.5996 -14.1659 -14.1659 -13.8064 -13.8064 10.3324 10.3324 11.1959 11.1959 16.5458 16.5458 16.6602 16.6602 16.8324 16.8324 23.1519 23.1519 23.3134 23.3134 24.4509 24.4509 25.8729 25.8729 28.6448 28.6448 k = 0.5000 0.2887 0.1142 ( 1146 PWs) bands (ev): -52.0497 -52.0497 -23.5984 -23.5984 -14.1649 -14.1649 -13.8022 -13.8022 10.2855 10.2855 11.2389 11.2389 16.5349 16.5349 16.6762 16.6762 16.8544 16.8544 23.0375 23.0375 23.4051 23.4051 24.4376 24.4376 25.8251 25.8251 28.6258 28.6258 k = 0.5000 0.2887 0.1047 ( 1146 PWs) bands (ev): -52.0500 -52.0500 -23.5974 -23.5974 -14.1641 -14.1641 -13.7982 -13.7982 10.2420 10.2420 11.2798 11.2798 16.5229 16.5229 16.6668 16.6668 16.9017 16.9017 22.9276 22.9276 23.5001 23.5001 24.4254 24.4254 25.7757 25.7757 28.6078 28.6078 k = 0.5000 0.2887 0.0952 ( 1146 PWs) bands (ev): -52.0503 -52.0503 -23.5964 -23.5964 -14.1634 -14.1634 -13.7945 -13.7945 10.2019 10.2019 11.3183 11.3183 16.5105 16.5105 16.6471 16.6471 16.9584 16.9584 22.8238 22.8238 23.5961 23.5961 24.4142 24.4142 25.7248 25.7248 28.5907 28.5907 k = 0.5000 0.2887 0.0857 ( 1146 PWs) bands (ev): -52.0506 -52.0506 -23.5955 -23.5955 -14.1628 -14.1628 -13.7910 -13.7910 10.1654 10.1654 11.3541 11.3541 16.4980 16.4980 16.6249 16.6249 17.0164 17.0164 22.7270 22.7270 23.6922 23.6922 24.4039 24.4039 25.6726 25.6726 28.5749 28.5749 k = 0.5000 0.2887 0.0762 ( 1146 PWs) bands (ev): -52.0509 -52.0509 -23.5947 -23.5947 -14.1622 -14.1622 -13.7878 -13.7878 10.1326 10.1326 11.3870 11.3870 16.4857 16.4857 16.6032 16.6032 17.0723 17.0723 22.6380 22.6380 23.7871 23.7871 24.3945 24.3945 25.6193 25.6193 28.5605 28.5605 k = 0.5000 0.2887 0.0666 ( 1150 PWs) bands (ev): -52.0511 -52.0511 -23.5940 -23.5940 -14.1618 -14.1618 -13.7849 -13.7849 10.1034 10.1034 11.4166 11.4166 16.4738 16.4738 16.5832 16.5832 17.1244 17.1244 22.5574 22.5574 23.8795 23.8795 24.3860 24.3860 25.5657 25.5657 28.5475 28.5475 k = 0.5000 0.2887 0.0571 ( 1146 PWs) bands (ev): -52.0513 -52.0513 -23.5934 -23.5934 -14.1614 -14.1614 -13.7823 -13.7823 10.0781 10.0781 11.4429 11.4429 16.4626 16.4626 16.5656 16.5656 17.1715 17.1715 22.4858 22.4858 23.9682 23.9682 24.3783 24.3783 25.5126 25.5126 28.5362 28.5362 k = 0.5000 0.2887 0.0476 ( 1150 PWs) bands (ev): -52.0515 -52.0515 -23.5929 -23.5929 -14.1612 -14.1612 -13.7802 -13.7802 10.0565 10.0565 11.4654 11.4654 16.4523 16.4523 16.5506 16.5506 17.2129 17.2129 22.4240 22.4240 24.0513 24.0513 24.3711 24.3711 25.4611 25.4611 28.5264 28.5264 k = 0.5000 0.2887 0.0381 ( 1150 PWs) bands (ev): -52.0516 -52.0516 -23.5924 -23.5924 -14.1609 -14.1609 -13.7783 -13.7783 10.0388 10.0388 11.4842 11.4842 16.4433 16.4433 16.5384 16.5384 17.2478 17.2478 22.3725 22.3725 24.1270 24.1270 24.3643 24.3643 25.4131 25.4131 28.5184 28.5184 k = 0.5000 0.2887 0.0286 ( 1150 PWs) bands (ev): -52.0517 -52.0517 -23.5921 -23.5921 -14.1608 -14.1608 -13.7769 -13.7769 10.0250 10.0250 11.4989 11.4989 16.4359 16.4359 16.5290 16.5290 17.2755 17.2755 22.3318 22.3318 24.1930 24.1930 24.3572 24.3572 25.3709 25.3709 28.5121 28.5121 k = 0.5000 0.2887 0.0190 ( 1158 PWs) bands (ev): -52.0518 -52.0518 -23.5919 -23.5919 -14.1607 -14.1607 -13.7759 -13.7759 10.0151 10.0151 11.5095 11.5095 16.4303 16.4303 16.5223 16.5223 17.2957 17.2957 22.3024 22.3024 24.2470 24.2470 24.3488 24.3488 25.3374 25.3374 28.5076 28.5076 k = 0.5000 0.2887 0.0095 ( 1154 PWs) bands (ev): -52.0518 -52.0518 -23.5917 -23.5917 -14.1606 -14.1606 -13.7753 -13.7753 10.0092 10.0092 11.5159 11.5159 16.4269 16.4269 16.5183 16.5183 17.3080 17.3080 22.2846 22.2846 24.2875 24.2875 24.3375 24.3375 25.3157 25.3157 28.5049 28.5049 k = 0.5000 0.2887-0.0000 ( 1154 PWs) bands (ev): -52.0518 -52.0518 -23.5917 -23.5917 -14.1606 -14.1606 -13.7751 -13.7751 10.0072 10.0072 11.5181 11.5181 16.4258 16.4258 16.5170 16.5170 17.3121 17.3121 22.2787 22.2787 24.3093 24.3093 24.3258 24.3258 25.3081 25.3081 28.5040 28.5040 k = 0.3333 0.5774-0.0000 ( 1137 PWs) bands (ev): -52.0472 -52.0472 -23.6057 -23.6057 -14.1251 -14.1251 -13.8875 -13.8875 11.8323 11.8323 12.0680 12.0680 12.3133 12.3133 17.9001 17.9001 18.0556 18.0556 21.7037 21.7037 22.1285 22.1285 22.3820 22.3820 30.5381 30.5381 30.7859 30.7859 k = 0.3333 0.5774 0.0095 ( 1146 PWs) bands (ev): -52.0472 -52.0472 -23.6058 -23.6058 -14.1251 -14.1251 -13.8878 -13.8878 11.8311 11.8311 12.0708 12.0708 12.3120 12.3120 17.8970 17.8970 18.0523 18.0523 21.7104 21.7104 22.1341 22.1341 22.3839 22.3839 30.5341 30.5341 30.7823 30.7823 k = 0.3333 0.5774 0.0190 ( 1149 PWs) bands (ev): -52.0471 -52.0471 -23.6060 -23.6060 -14.1249 -14.1249 -13.8887 -13.8887 11.8276 11.8276 12.0792 12.0792 12.3082 12.3082 17.8877 17.8877 18.0424 18.0424 21.7306 21.7306 22.1507 22.1507 22.3897 22.3897 30.5219 30.5219 30.7716 30.7716 k = 0.3333 0.5774 0.0286 ( 1149 PWs) bands (ev): -52.0471 -52.0471 -23.6062 -23.6062 -14.1245 -14.1245 -13.8902 -13.8902 11.8221 11.8221 12.0931 12.0931 12.3019 12.3019 17.8725 17.8725 18.0261 18.0261 21.7638 21.7638 22.1779 22.1779 22.3997 22.3997 30.5020 30.5020 30.7540 30.7540 k = 0.3333 0.5774 0.0381 ( 1149 PWs) bands (ev): -52.0469 -52.0469 -23.6066 -23.6066 -14.1240 -14.1240 -13.8923 -13.8923 11.8147 11.8147 12.1121 12.1121 12.2931 12.2931 17.8515 17.8515 18.0040 18.0040 21.8097 21.8097 22.2146 22.2146 22.4145 22.4145 30.4745 30.4745 30.7296 30.7296 k = 0.3333 0.5774 0.0476 ( 1149 PWs) bands (ev): -52.0468 -52.0468 -23.6070 -23.6070 -14.1233 -14.1233 -13.8949 -13.8949 11.8057 11.8057 12.1360 12.1360 12.2819 12.2819 17.8254 17.8254 17.9766 17.9766 21.8675 21.8675 22.2590 22.2590 22.4354 22.4354 30.4401 30.4401 30.6989 30.6989 k = 0.3333 0.5774 0.0571 ( 1149 PWs) bands (ev): -52.0466 -52.0466 -23.6075 -23.6075 -14.1225 -14.1225 -13.8981 -13.8981 11.7953 11.7953 12.1646 12.1646 12.2682 12.2682 17.7945 17.7945 17.9445 17.9445 21.9367 21.9367 22.3082 22.3082 22.4651 22.4651 30.3991 30.3991 30.6622 30.6622 k = 0.3333 0.5774 0.0666 ( 1149 PWs) bands (ev): -52.0464 -52.0464 -23.6081 -23.6081 -14.1216 -14.1216 -13.9018 -13.9018 11.7835 11.7835 12.1978 12.1978 12.2522 12.2522 17.7595 17.7595 17.9085 17.9085 22.0164 22.0164 22.3572 22.3572 22.5075 22.5075 30.3523 30.3523 30.6199 30.6199 k = 0.3333 0.5774 0.0762 ( 1149 PWs) bands (ev): -52.0462 -52.0462 -23.6088 -23.6088 -14.1205 -14.1205 -13.9061 -13.9061 11.7704 11.7704 12.2339 12.2339 12.2354 12.2354 17.7208 17.7208 17.8691 17.8691 22.1058 22.1058 22.4016 22.4016 22.5666 22.5666 30.3001 30.3001 30.5726 30.5726 k = 0.3333 0.5774 0.0857 ( 1149 PWs) bands (ev): -52.0460 -52.0460 -23.6096 -23.6096 -14.1193 -14.1193 -13.9109 -13.9109 11.7561 11.7561 12.2133 12.2133 12.2774 12.2774 17.6791 17.6791 17.8272 17.8272 22.2042 22.2042 22.4407 22.4407 22.6425 22.6425 30.2433 30.2433 30.5206 30.5206 k = 0.3333 0.5774 0.0952 ( 1143 PWs) bands (ev): -52.0457 -52.0457 -23.6104 -23.6104 -14.1180 -14.1180 -13.9161 -13.9161 11.7407 11.7407 12.1906 12.1906 12.3236 12.3236 17.6349 17.6349 17.7833 17.7833 22.3106 22.3106 22.4769 22.4769 22.7319 22.7319 30.1824 30.1824 30.4645 30.4645 k = 0.3333 0.5774 0.1047 ( 1143 PWs) bands (ev): -52.0454 -52.0454 -23.6114 -23.6114 -14.1165 -14.1165 -13.9219 -13.9219 11.7242 11.7242 12.1658 12.1658 12.3740 12.3740 17.5888 17.5888 17.7381 17.7381 22.4244 22.4244 22.5126 22.5126 22.8319 22.8319 30.1181 30.1181 30.4048 30.4048 k = 0.3333 0.5774 0.1142 ( 1143 PWs) bands (ev): -52.0450 -52.0450 -23.6124 -23.6124 -14.1150 -14.1150 -13.9281 -13.9281 11.7065 11.7065 12.1390 12.1390 12.4285 12.4285 17.5412 17.5412 17.6921 17.6921 22.5448 22.5448 22.5491 22.5491 22.9405 22.9405 30.0507 30.0507 30.3419 30.3419 k = 0.3333 0.5774 0.1238 ( 1143 PWs) bands (ev): -52.0447 -52.0447 -23.6135 -23.6135 -14.1133 -14.1133 -13.9347 -13.9347 11.6878 11.6878 12.1103 12.1103 12.4870 12.4870 17.4928 17.4928 17.6458 17.6458 22.5871 22.5871 22.6712 22.6712 23.0562 23.0562 29.9810 29.9810 30.2764 30.2764 k = 0.3333 0.5774 0.1333 ( 1149 PWs) bands (ev): -52.0443 -52.0443 -23.6147 -23.6147 -14.1115 -14.1115 -13.9418 -13.9418 11.6680 11.6680 12.0799 12.0799 12.5492 12.5492 17.4438 17.4438 17.5996 17.5996 22.6272 22.6272 22.8029 22.8029 23.1781 23.1781 29.9092 29.9092 30.2086 30.2086 k = 0.3333 0.5774 0.1428 ( 1149 PWs) bands (ev): -52.0439 -52.0439 -23.6159 -23.6159 -14.1096 -14.1096 -13.9492 -13.9492 11.6472 11.6472 12.0478 12.0478 12.6153 12.6153 17.3948 17.3948 17.5539 17.5539 22.6693 22.6693 22.9394 22.9394 23.3055 23.3055 29.8359 29.8359 30.1389 30.1389 k = 0.3333 0.5774 0.1523 ( 1155 PWs) bands (ev): -52.0435 -52.0435 -23.6172 -23.6172 -14.1077 -14.1077 -13.9570 -13.9570 11.6256 11.6256 12.0142 12.0142 12.6849 12.6849 17.3459 17.3459 17.5090 17.5090 22.7138 22.7138 23.0800 23.0800 23.4375 23.4375 29.7614 29.7614 30.0677 30.0677 k = 0.3333 0.5774 0.1619 ( 1155 PWs) bands (ev): -52.0431 -52.0431 -23.6186 -23.6186 -14.1056 -14.1056 -13.9651 -13.9651 11.6030 11.6030 11.9792 11.9792 12.7579 12.7579 17.2977 17.2977 17.4651 17.4651 22.7605 22.7605 23.2244 23.2244 23.5738 23.5738 29.6860 29.6860 29.9954 29.9954 k = 0.3333 0.5774 0.1714 ( 1158 PWs) bands (ev): -52.0426 -52.0426 -23.6200 -23.6200 -14.1035 -14.1035 -13.9734 -13.9734 11.5797 11.5797 11.9430 11.9430 12.8342 12.8342 17.2502 17.2502 17.4226 17.4226 22.8095 22.8095 23.3720 23.3720 23.7137 23.7137 29.6100 29.6100 29.9224 29.9224 k = 0.3333 0.5774 0.1809 ( 1158 PWs) bands (ev): -52.0422 -52.0422 -23.6214 -23.6214 -14.1012 -14.1012 -13.9820 -13.9820 11.5556 11.5556 11.9056 11.9056 12.9136 12.9136 17.2038 17.2038 17.3814 17.3814 22.8608 22.8608 23.5224 23.5224 23.8568 23.8568 29.5337 29.5337 29.8489 29.8489 k = 0.3333 0.5774 0.1904 ( 1158 PWs) bands (ev): -52.0417 -52.0417 -23.6229 -23.6229 -14.0990 -14.0990 -13.9908 -13.9908 11.5308 11.5308 11.8674 11.8674 12.9959 12.9959 17.1587 17.1587 17.3419 17.3419 22.9143 22.9143 23.6752 23.6752 24.0026 24.0026 29.4573 29.4573 29.7751 29.7751 k = 0.3333 0.5774 0.1999 ( 1158 PWs) bands (ev): -52.0412 -52.0412 -23.6244 -23.6244 -14.0966 -14.0966 -13.9998 -13.9998 11.5055 11.5055 11.8283 11.8283 13.0808 13.0808 17.1150 17.1150 17.3040 17.3040 22.9700 22.9700 23.8299 23.8299 24.1508 24.1508 29.3809 29.3809 29.7014 29.7014 k = 0.3333 0.5774 0.2095 ( 1152 PWs) bands (ev): -52.0407 -52.0407 -23.6260 -23.6260 -14.0943 -14.0943 -14.0088 -14.0088 11.4797 11.4797 11.7886 11.7886 13.1682 13.1682 17.0728 17.0728 17.2678 17.2678 23.0278 23.0278 23.9862 23.9862 24.3009 24.3009 29.3045 29.3045 29.6281 29.6281 k = 0.3333 0.5774 0.2190 ( 1152 PWs) bands (ev): -52.0402 -52.0402 -23.6275 -23.6275 -14.0918 -14.0918 -14.0180 -14.0180 11.4535 11.4535 11.7484 11.7484 13.2578 13.2578 17.0324 17.0324 17.2334 17.2334 23.0876 23.0876 24.1437 24.1437 24.4526 24.4526 29.2280 29.2280 29.5553 29.5553 k = 0.3333 0.5774 0.2285 ( 1158 PWs) bands (ev): -52.0397 -52.0397 -23.6292 -23.6292 -14.0895 -14.0895 -14.0274 -14.0274 11.4269 11.4269 11.7079 11.7079 13.3493 13.3493 16.9937 16.9937 17.2009 17.2009 23.1493 23.1493 24.3021 24.3021 24.6055 24.6055 29.1512 29.1512 29.4832 29.4832 k = 0.3333 0.5774 0.2380 ( 1158 PWs) bands (ev): -52.0392 -52.0392 -23.6308 -23.6308 -14.0870 -14.0870 -14.0367 -14.0367 11.4002 11.4002 11.6672 11.6672 13.4425 13.4425 16.9569 16.9569 17.1701 17.1701 23.2127 23.2127 24.4609 24.4609 24.7593 24.7593 29.0733 29.0733 29.4120 29.4120 k = 0.3333 0.5774 0.2475 ( 1164 PWs) bands (ev): -52.0387 -52.0387 -23.6324 -23.6324 -14.0845 -14.0845 -14.0461 -14.0461 11.3733 11.3733 11.6265 11.6265 13.5371 13.5371 16.9220 16.9220 17.1411 17.1411 23.2778 23.2778 24.6200 24.6200 24.9136 24.9136 28.9929 28.9929 29.3419 29.3419 k = 0.3333 0.5774 0.2571 ( 1161 PWs) bands (ev): -52.0382 -52.0382 -23.6341 -23.6341 -14.0821 -14.0821 -14.0554 -14.0554 11.3464 11.3464 11.5860 11.5860 13.6327 13.6327 16.8891 16.8891 17.1139 17.1139 23.3444 23.3444 24.7788 24.7788 25.0681 25.0681 28.9068 28.9068 29.2593 29.2593 k = 0.3333 0.5774 0.2666 ( 1164 PWs) bands (ev): -52.0377 -52.0377 -23.6357 -23.6357 -14.0796 -14.0796 -14.0647 -14.0647 11.3196 11.3196 11.5457 11.5457 13.7291 13.7291 16.8582 16.8582 17.0884 17.0884 23.4122 23.4122 24.9371 24.9371 25.2224 25.2224 28.8095 28.8095 29.1071 29.1071 k = 0.3333 0.5774 0.2761 ( 1164 PWs) bands (ev): -52.0372 -52.0372 -23.6373 -23.6373 -14.0772 -14.0772 -14.0738 -14.0738 11.2930 11.2930 11.5059 11.5059 13.8259 13.8259 16.8294 16.8294 17.0646 17.0646 23.4812 23.4812 25.0945 25.0945 25.3763 25.3763 28.6941 28.6941 28.9785 28.9785 k = 0.3333 0.5774 0.2856 ( 1164 PWs) bands (ev): -52.0366 -52.0366 -23.6389 -23.6389 -14.0828 -14.0828 -14.0747 -14.0747 11.2666 11.2666 11.4667 11.4667 13.9227 13.9227 16.8026 16.8026 17.0424 17.0424 23.5511 23.5511 25.2507 25.2507 25.5293 25.5293 28.5592 28.5592 28.8753 28.8753 k = 0.3333 0.5774 0.2951 ( 1164 PWs) bands (ev): -52.0361 -52.0361 -23.6405 -23.6405 -14.0917 -14.0917 -14.0724 -14.0724 11.2407 11.2407 11.4282 11.4282 14.0192 14.0192 16.7779 16.7779 17.0218 17.0218 23.6217 23.6217 25.4054 25.4054 25.6811 25.6811 28.4116 28.4116 28.7912 28.7912 k = 0.3333 0.5774 0.3047 ( 1164 PWs) bands (ev): -52.0357 -52.0357 -23.6420 -23.6420 -14.1004 -14.1004 -14.0700 -14.0700 11.2152 11.2152 11.3906 11.3906 14.1150 14.1150 16.7553 16.7553 17.0027 17.0027 23.6928 23.6928 25.5581 25.5581 25.8314 25.8314 28.2587 28.2587 28.7190 28.7190 k = 0.3333 0.5774 0.3142 ( 1161 PWs) bands (ev): -52.0352 -52.0352 -23.6435 -23.6435 -14.1088 -14.1088 -14.0677 -14.0677 11.1903 11.1903 11.3540 11.3540 14.2096 14.2096 16.7347 16.7347 16.9851 16.9851 23.7639 23.7639 25.7085 25.7085 25.9797 25.9797 28.1054 28.1054 28.6544 28.6544 k = 0.3333 0.5774 0.3237 ( 1161 PWs) bands (ev): -52.0347 -52.0347 -23.6450 -23.6450 -14.1171 -14.1171 -14.0655 -14.0655 11.1661 11.1661 11.3185 11.3185 14.3026 14.3026 16.7161 16.7161 16.9689 16.9689 23.8350 23.8350 25.8562 25.8562 26.1257 26.1257 27.9544 27.9544 28.5950 28.5950 k = 0.3333 0.5774 0.3332 ( 1161 PWs) bands (ev): -52.0343 -52.0343 -23.6464 -23.6464 -14.1250 -14.1250 -14.0633 -14.0633 11.1426 11.1426 11.2842 11.2842 14.3937 14.3937 16.6996 16.6996 16.9540 16.9540 23.9055 23.9055 26.0009 26.0009 26.2690 26.2690 27.8072 27.8072 28.5399 28.5399 k = 0.3333 0.5774 0.3427 ( 1164 PWs) bands (ev): -52.0338 -52.0338 -23.6478 -23.6478 -14.1326 -14.1326 -14.0612 -14.0612 11.1200 11.1200 11.2513 11.2513 14.4823 14.4823 16.6852 16.6852 16.9403 16.9403 23.9752 23.9752 26.1421 26.1421 26.4091 26.4091 27.6649 27.6649 28.4884 28.4884 k = 0.3333 0.5774 0.3523 ( 1164 PWs) bands (ev): -52.0334 -52.0334 -23.6492 -23.6492 -14.1399 -14.1399 -14.0592 -14.0592 11.0983 11.0983 11.2199 11.2199 14.5679 14.5679 16.6726 16.6726 16.9278 16.9278 24.0437 24.0437 26.2794 26.2794 26.5456 26.5456 27.5282 27.5282 28.4400 28.4401 k = 0.3333 0.5774 0.3618 ( 1158 PWs) bands (ev): -52.0330 -52.0330 -23.6504 -23.6504 -14.1469 -14.1469 -14.0573 -14.0573 11.0776 11.0776 11.1900 11.1900 14.6503 14.6503 16.6620 16.6620 16.9165 16.9165 24.1106 24.1106 26.4123 26.4123 26.6780 26.6780 27.3977 27.3977 28.3948 28.3948 k = 0.3333 0.5774 0.3713 ( 1164 PWs) bands (ev): -52.0326 -52.0326 -23.6516 -23.6516 -14.1535 -14.1535 -14.0555 -14.0555 11.0580 11.0580 11.1617 11.1617 14.7288 14.7288 16.6532 16.6532 16.9062 16.9062 24.1755 24.1755 26.5405 26.5405 26.8058 26.8058 27.2741 27.2741 28.3523 28.3523 k = 0.3333 0.5774 0.3808 ( 1164 PWs) bands (ev): -52.0323 -52.0323 -23.6528 -23.6528 -14.1597 -14.1597 -14.0538 -14.0538 11.0395 11.0395 11.1353 11.1353 14.8031 14.8031 16.6462 16.6462 16.8970 16.8970 24.2379 24.2379 26.6633 26.6633 26.9279 26.9279 27.1583 27.1583 28.3126 28.3126 k = 0.3333 0.5774 0.3904 ( 1164 PWs) bands (ev): -52.0320 -52.0320 -23.6538 -23.6538 -14.1654 -14.1654 -14.0522 -14.0522 11.0223 11.0223 11.1106 11.1106 14.8728 14.8728 16.6409 16.6409 16.8887 16.8887 24.2974 24.2974 26.7804 26.7804 27.0270 27.0270 27.0677 27.0677 28.2756 28.2756 k = 0.3333 0.5774 0.3999 ( 1164 PWs) bands (ev): -52.0317 -52.0317 -23.6548 -23.6548 -14.1707 -14.1707 -14.0507 -14.0507 11.0064 11.0064 11.0878 11.0878 14.9375 14.9375 16.6371 16.6371 16.8813 16.8813 24.3535 24.3535 26.8911 26.8911 26.9446 26.9446 27.1605 27.1605 28.2410 28.2410 k = 0.3333 0.5774 0.4094 ( 1158 PWs) bands (ev): -52.0314 -52.0314 -23.6557 -23.6557 -14.1756 -14.1756 -14.0493 -14.0493 10.9918 10.9918 11.0670 11.0670 14.9968 14.9968 16.6346 16.6346 16.8748 16.8748 24.4058 24.4058 26.8532 26.8532 26.9950 26.9950 27.2643 27.2643 28.2088 28.2088 k = 0.3333 0.5774 0.4189 ( 1140 PWs) bands (ev): -52.0311 -52.0311 -23.6564 -23.6564 -14.1799 -14.1799 -14.0480 -14.0480 10.9786 10.9786 11.0483 11.0483 15.0505 15.0505 16.6334 16.6334 16.8690 16.8690 24.4538 24.4538 26.7699 26.7699 27.0914 27.0914 27.3616 27.3616 28.1788 28.1788 k = 0.3333 0.5774 0.4284 ( 1140 PWs) bands (ev): -52.0308 -52.0308 -23.6571 -23.6571 -14.1838 -14.1838 -14.0469 -14.0469 10.9669 10.9669 11.0316 11.0316 15.0983 15.0983 16.6331 16.6331 16.8641 16.8641 24.4971 24.4971 26.6957 26.6957 27.1796 27.1796 27.4514 27.4514 28.1507 28.1507 k = 0.3333 0.5774 0.4380 ( 1146 PWs) bands (ev): -52.0307 -52.0307 -23.6578 -23.6578 -14.1872 -14.1872 -14.0460 -14.0460 10.9566 10.9566 11.0170 11.0170 15.1400 15.1400 16.6335 16.6335 16.8599 16.8599 24.5354 24.5354 26.6309 26.6309 27.2589 27.2589 27.5331 27.5331 28.1245 28.1245 k = 0.3333 0.5774 0.4475 ( 1146 PWs) bands (ev): -52.0305 -52.0305 -23.6583 -23.6583 -14.1901 -14.1901 -14.0452 -14.0452 10.9478 10.9478 11.0047 11.0047 15.1754 15.1754 16.6344 16.6344 16.8563 16.8563 24.5683 24.5683 26.5757 26.5757 27.3286 27.3286 27.6061 27.6061 28.0998 28.0998 k = 0.3333 0.5774 0.4570 ( 1146 PWs) bands (ev): -52.0304 -52.0304 -23.6588 -23.6588 -14.1925 -14.1925 -14.0445 -14.0445 10.9406 10.9406 10.9945 10.9945 15.2045 15.2045 16.6356 16.6356 16.8535 16.8535 24.5956 24.5956 26.5304 26.5304 27.3878 27.3878 27.6698 27.6698 28.0767 28.0767 k = 0.3333 0.5774 0.4665 ( 1146 PWs) bands (ev): -52.0302 -52.0302 -23.6591 -23.6591 -14.1944 -14.1944 -14.0440 -14.0440 10.9350 10.9350 10.9865 10.9865 15.2271 15.2271 16.6367 16.6367 16.8513 16.8513 24.6170 24.6170 26.4950 26.4950 27.4354 27.4354 27.7233 27.7233 28.0554 28.0554 k = 0.3333 0.5774 0.4760 ( 1146 PWs) bands (ev): -52.0302 -52.0302 -23.6594 -23.6594 -14.1957 -14.1957 -14.0436 -14.0436 10.9309 10.9309 10.9808 10.9808 15.2434 15.2434 16.6377 16.6377 16.8498 16.8498 24.6324 24.6324 26.4697 26.4697 27.4704 27.4704 27.7653 27.7653 28.0369 28.0369 k = 0.3333 0.5774 0.4856 ( 1146 PWs) bands (ev): -52.0301 -52.0301 -23.6595 -23.6595 -14.1965 -14.1965 -14.0434 -14.0434 10.9285 10.9285 10.9774 10.9774 15.2531 15.2531 16.6384 16.6384 16.8488 16.8488 24.6416 24.6416 26.4545 26.4545 27.4918 27.4918 27.7929 27.7929 28.0234 28.0234 k = 0.3333 0.5774 0.4951 ( 1152 PWs) bands (ev): -52.0301 -52.0301 -23.6596 -23.6596 -14.1968 -14.1968 -14.0433 -14.0433 10.9277 10.9277 10.9762 10.9762 15.2563 15.2563 16.6386 16.6386 16.8485 16.8485 24.6447 24.6447 26.4495 26.4495 27.4991 27.4991 27.8027 27.8027 28.0183 28.0183 Writing output data file B2W.save init_run : 0.13s CPU 0.24s WALL ( 1 calls) electrons : 46.26s CPU 47.56s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 46.25s CPU 47.55s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.02s WALL ( 497 calls) cegterg : 39.68s CPU 40.57s WALL ( 541 calls) Called by sum_band: Called by *egterg: h_psi : 19.23s CPU 19.57s WALL ( 7622 calls) s_psi : 0.82s CPU 0.79s WALL ( 7622 calls) g_psi : 0.04s CPU 0.05s WALL ( 6584 calls) cdiaghg : 20.18s CPU 20.91s WALL ( 7081 calls) cegterg:over : 1.21s CPU 1.31s WALL ( 6584 calls) cegterg:upda : 0.95s CPU 0.88s WALL ( 6584 calls) cegterg:last : 0.45s CPU 0.50s WALL ( 1447 calls) cdiaghg:chol : 1.02s CPU 1.06s WALL ( 7081 calls) cdiaghg:inve : 0.38s CPU 0.42s WALL ( 7081 calls) cdiaghg:para : 1.30s CPU 1.32s WALL ( 14162 calls) Called by h_psi: h_psi:vloc : 17.26s CPU 17.55s WALL ( 7622 calls) h_psi:vnl : 1.94s CPU 2.00s WALL ( 7622 calls) add_vuspsi : 0.93s CPU 1.04s WALL ( 7622 calls) General routines calbec : 0.99s CPU 0.93s WALL ( 7622 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 16.39s CPU 16.65s WALL ( 512784 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.13s WALL ( 994 calls) Parallel routines fft_scatter : 8.95s CPU 9.07s WALL ( 512807 calls) PWSCF : 0m54.88s CPU 1m 7.71s WALL This run was terminated on: 13:45:58 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=