Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:23:34 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: ./FeSi2.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 13 10 3 423 282 51 Max 14 11 4 432 295 58 Sum 489 373 121 15415 10453 1935 bravais-lattice index = 14 lattice parameter (alat) = 5.0834 a.u. unit-cell volume = 248.0646 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.083363 celldm(2)= 1.000000 celldm(3)= 1.888476 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.888476 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.529528 ) PseudoPot. # 1 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 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 Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Si 4.00 28.08550 Si( 1.00) 16 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 ) ( 0 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 ) ( 0 -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 = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 504 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019841 k( 2) = ( 0.0000000 0.0084746 -0.0000000), wk = 0.0019841 k( 3) = ( 0.0000000 0.0169491 -0.0000000), wk = 0.0019841 k( 4) = ( 0.0000000 0.0254237 -0.0000000), wk = 0.0019841 k( 5) = ( 0.0000000 0.0338983 -0.0000000), wk = 0.0019841 k( 6) = ( 0.0000000 0.0423729 -0.0000000), wk = 0.0019841 k( 7) = ( 0.0000000 0.0508475 -0.0000000), wk = 0.0019841 k( 8) = ( 0.0000000 0.0593220 -0.0000000), wk = 0.0019841 k( 9) = ( 0.0000000 0.0677966 -0.0000000), wk = 0.0019841 k( 10) = ( 0.0000000 0.0762712 -0.0000000), wk = 0.0019841 k( 11) = ( 0.0000000 0.0847458 -0.0000000), wk = 0.0019841 k( 12) = ( 0.0000000 0.0932203 -0.0000000), wk = 0.0019841 k( 13) = ( 0.0000000 0.1016949 -0.0000000), wk = 0.0019841 k( 14) = ( 0.0000000 0.1101695 -0.0000000), wk = 0.0019841 k( 15) = ( 0.0000000 0.1186441 -0.0000000), wk = 0.0019841 k( 16) = ( 0.0000000 0.1271186 -0.0000000), wk = 0.0019841 k( 17) = ( 0.0000000 0.1355932 -0.0000000), wk = 0.0019841 k( 18) = ( 0.0000000 0.1440678 -0.0000000), wk = 0.0019841 k( 19) = ( 0.0000000 0.1525424 -0.0000000), wk = 0.0019841 k( 20) = ( 0.0000000 0.1610169 -0.0000000), wk = 0.0019841 k( 21) = ( 0.0000000 0.1694915 -0.0000000), wk = 0.0019841 k( 22) = ( 0.0000000 0.1779661 -0.0000000), wk = 0.0019841 k( 23) = ( 0.0000000 0.1864407 -0.0000000), wk = 0.0019841 k( 24) = ( 0.0000000 0.1949153 -0.0000000), wk = 0.0019841 k( 25) = ( 0.0000000 0.2033898 -0.0000000), wk = 0.0019841 k( 26) = ( 0.0000000 0.2118644 -0.0000000), wk = 0.0019841 k( 27) = ( 0.0000000 0.2203390 -0.0000000), wk = 0.0019841 k( 28) = ( 0.0000000 0.2288136 -0.0000000), wk = 0.0019841 k( 29) = ( 0.0000000 0.2372881 -0.0000000), wk = 0.0019841 k( 30) = ( 0.0000000 0.2457627 -0.0000000), wk = 0.0019841 k( 31) = ( 0.0000000 0.2542373 -0.0000000), wk = 0.0019841 k( 32) = ( 0.0000000 0.2627119 -0.0000000), wk = 0.0019841 k( 33) = ( 0.0000000 0.2711864 -0.0000000), wk = 0.0019841 k( 34) = ( 0.0000000 0.2796610 -0.0000000), wk = 0.0019841 k( 35) = ( 0.0000000 0.2881356 -0.0000000), wk = 0.0019841 k( 36) = ( 0.0000000 0.2966102 -0.0000000), wk = 0.0019841 k( 37) = ( 0.0000000 0.3050848 -0.0000000), wk = 0.0019841 k( 38) = ( 0.0000000 0.3135593 -0.0000000), wk = 0.0019841 k( 39) = ( 0.0000000 0.3220339 -0.0000000), wk = 0.0019841 k( 40) = ( 0.0000000 0.3305085 -0.0000000), wk = 0.0019841 k( 41) = ( 0.0000000 0.3389831 -0.0000000), wk = 0.0019841 k( 42) = ( 0.0000000 0.3474576 -0.0000000), wk = 0.0019841 k( 43) = ( 0.0000000 0.3559322 -0.0000000), wk = 0.0019841 k( 44) = ( 0.0000000 0.3644068 -0.0000000), wk = 0.0019841 k( 45) = ( 0.0000000 0.3728814 -0.0000000), wk = 0.0019841 k( 46) = ( 0.0000000 0.3813559 -0.0000000), wk = 0.0019841 k( 47) = ( 0.0000000 0.3898305 -0.0000000), wk = 0.0019841 k( 48) = ( 0.0000000 0.3983051 -0.0000000), wk = 0.0019841 k( 49) = ( 0.0000000 0.4067797 -0.0000000), wk = 0.0019841 k( 50) = ( 0.0000000 0.4152542 -0.0000000), wk = 0.0019841 k( 51) = ( 0.0000000 0.4237288 -0.0000000), wk = 0.0019841 k( 52) = ( 0.0000000 0.4322034 -0.0000000), wk = 0.0019841 k( 53) = ( 0.0000000 0.4406780 -0.0000000), wk = 0.0019841 k( 54) = ( 0.0000000 0.4491525 -0.0000000), wk = 0.0019841 k( 55) = ( 0.0000000 0.4576271 -0.0000000), wk = 0.0019841 k( 56) = ( 0.0000000 0.4661017 -0.0000000), wk = 0.0019841 k( 57) = ( 0.0000000 0.4745763 -0.0000000), wk = 0.0019841 k( 58) = ( 0.0000000 0.4830508 -0.0000000), wk = 0.0019841 k( 59) = ( 0.0000000 0.4915254 -0.0000000), wk = 0.0019841 k( 60) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0019841 k( 61) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0019841 k( 62) = ( 0.0084746 0.5000000 -0.0000000), wk = 0.0019841 k( 63) = ( 0.0169491 0.5000000 -0.0000000), wk = 0.0019841 k( 64) = ( 0.0254237 0.5000000 -0.0000000), wk = 0.0019841 k( 65) = ( 0.0338983 0.5000000 -0.0000000), wk = 0.0019841 k( 66) = ( 0.0423729 0.5000000 -0.0000000), wk = 0.0019841 k( 67) = ( 0.0508475 0.5000000 -0.0000000), wk = 0.0019841 k( 68) = ( 0.0593220 0.5000000 -0.0000000), wk = 0.0019841 k( 69) = ( 0.0677966 0.5000000 -0.0000000), wk = 0.0019841 k( 70) = ( 0.0762712 0.5000000 -0.0000000), wk = 0.0019841 k( 71) = ( 0.0847458 0.5000000 -0.0000000), wk = 0.0019841 k( 72) = ( 0.0932203 0.5000000 -0.0000000), wk = 0.0019841 k( 73) = ( 0.1016949 0.5000000 -0.0000000), wk = 0.0019841 k( 74) = ( 0.1101695 0.5000000 -0.0000000), wk = 0.0019841 k( 75) = ( 0.1186441 0.5000000 -0.0000000), wk = 0.0019841 k( 76) = ( 0.1271186 0.5000000 -0.0000000), wk = 0.0019841 k( 77) = ( 0.1355932 0.5000000 -0.0000000), wk = 0.0019841 k( 78) = ( 0.1440678 0.5000000 -0.0000000), wk = 0.0019841 k( 79) = ( 0.1525424 0.5000000 -0.0000000), wk = 0.0019841 k( 80) = ( 0.1610169 0.5000000 -0.0000000), wk = 0.0019841 k( 81) = ( 0.1694915 0.5000000 -0.0000000), wk = 0.0019841 k( 82) = ( 0.1779661 0.5000000 -0.0000000), wk = 0.0019841 k( 83) = ( 0.1864407 0.5000000 -0.0000000), wk = 0.0019841 k( 84) = ( 0.1949153 0.5000000 -0.0000000), wk = 0.0019841 k( 85) = ( 0.2033898 0.5000000 -0.0000000), wk = 0.0019841 k( 86) = ( 0.2118644 0.5000000 -0.0000000), wk = 0.0019841 k( 87) = ( 0.2203390 0.5000000 -0.0000000), wk = 0.0019841 k( 88) = ( 0.2288136 0.5000000 -0.0000000), wk = 0.0019841 k( 89) = ( 0.2372881 0.5000000 -0.0000000), wk = 0.0019841 k( 90) = ( 0.2457627 0.5000000 -0.0000000), wk = 0.0019841 k( 91) = ( 0.2542373 0.5000000 -0.0000000), wk = 0.0019841 k( 92) = ( 0.2627119 0.5000000 -0.0000000), wk = 0.0019841 k( 93) = ( 0.2711864 0.5000000 -0.0000000), wk = 0.0019841 k( 94) = ( 0.2796610 0.5000000 -0.0000000), wk = 0.0019841 k( 95) = ( 0.2881356 0.5000000 -0.0000000), wk = 0.0019841 k( 96) = ( 0.2966102 0.5000000 -0.0000000), wk = 0.0019841 k( 97) = ( 0.3050848 0.5000000 -0.0000000), wk = 0.0019841 k( 98) = ( 0.3135593 0.5000000 -0.0000000), wk = 0.0019841 k( 99) = ( 0.3220339 0.5000000 -0.0000000), wk = 0.0019841 k( 100) = ( 0.3305085 0.5000000 -0.0000000), wk = 0.0019841 k( 101) = ( 0.3389831 0.5000000 -0.0000000), wk = 0.0019841 k( 102) = ( 0.3474576 0.5000000 -0.0000000), wk = 0.0019841 k( 103) = ( 0.3559322 0.5000000 -0.0000000), wk = 0.0019841 k( 104) = ( 0.3644068 0.5000000 -0.0000000), wk = 0.0019841 k( 105) = ( 0.3728814 0.5000000 -0.0000000), wk = 0.0019841 k( 106) = ( 0.3813559 0.5000000 -0.0000000), wk = 0.0019841 k( 107) = ( 0.3898305 0.5000000 -0.0000000), wk = 0.0019841 k( 108) = ( 0.3983051 0.5000000 -0.0000000), wk = 0.0019841 k( 109) = ( 0.4067797 0.5000000 -0.0000000), wk = 0.0019841 k( 110) = ( 0.4152542 0.5000000 -0.0000000), wk = 0.0019841 k( 111) = ( 0.4237288 0.5000000 -0.0000000), wk = 0.0019841 k( 112) = ( 0.4322034 0.5000000 -0.0000000), wk = 0.0019841 k( 113) = ( 0.4406780 0.5000000 -0.0000000), wk = 0.0019841 k( 114) = ( 0.4491525 0.5000000 -0.0000000), wk = 0.0019841 k( 115) = ( 0.4576271 0.5000000 -0.0000000), wk = 0.0019841 k( 116) = ( 0.4661017 0.5000000 -0.0000000), wk = 0.0019841 k( 117) = ( 0.4745763 0.5000000 -0.0000000), wk = 0.0019841 k( 118) = ( 0.4830508 0.5000000 -0.0000000), wk = 0.0019841 k( 119) = ( 0.4915254 0.5000000 -0.0000000), wk = 0.0019841 k( 120) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0019841 k( 121) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0019841 k( 122) = ( 0.4939759 0.4939759 -0.0000000), wk = 0.0019841 k( 123) = ( 0.4879518 0.4879518 -0.0000000), wk = 0.0019841 k( 124) = ( 0.4819277 0.4819277 -0.0000000), wk = 0.0019841 k( 125) = ( 0.4759036 0.4759036 -0.0000000), wk = 0.0019841 k( 126) = ( 0.4698795 0.4698795 -0.0000000), wk = 0.0019841 k( 127) = ( 0.4638554 0.4638554 -0.0000000), wk = 0.0019841 k( 128) = ( 0.4578313 0.4578313 -0.0000000), wk = 0.0019841 k( 129) = ( 0.4518072 0.4518072 -0.0000000), wk = 0.0019841 k( 130) = ( 0.4457831 0.4457831 -0.0000000), wk = 0.0019841 k( 131) = ( 0.4397590 0.4397590 -0.0000000), wk = 0.0019841 k( 132) = ( 0.4337349 0.4337349 -0.0000000), wk = 0.0019841 k( 133) = ( 0.4277108 0.4277108 -0.0000000), wk = 0.0019841 k( 134) = ( 0.4216867 0.4216867 -0.0000000), wk = 0.0019841 k( 135) = ( 0.4156627 0.4156626 -0.0000000), wk = 0.0019841 k( 136) = ( 0.4096385 0.4096385 -0.0000000), wk = 0.0019841 k( 137) = ( 0.4036145 0.4036145 -0.0000000), wk = 0.0019841 k( 138) = ( 0.3975904 0.3975904 -0.0000000), wk = 0.0019841 k( 139) = ( 0.3915663 0.3915663 -0.0000000), wk = 0.0019841 k( 140) = ( 0.3855422 0.3855422 -0.0000000), wk = 0.0019841 k( 141) = ( 0.3795181 0.3795181 -0.0000000), wk = 0.0019841 k( 142) = ( 0.3734940 0.3734940 -0.0000000), wk = 0.0019841 k( 143) = ( 0.3674699 0.3674699 -0.0000000), wk = 0.0019841 k( 144) = ( 0.3614458 0.3614458 -0.0000000), wk = 0.0019841 k( 145) = ( 0.3554217 0.3554217 -0.0000000), wk = 0.0019841 k( 146) = ( 0.3493976 0.3493976 -0.0000000), wk = 0.0019841 k( 147) = ( 0.3433735 0.3433735 -0.0000000), wk = 0.0019841 k( 148) = ( 0.3373494 0.3373494 -0.0000000), wk = 0.0019841 k( 149) = ( 0.3313253 0.3313253 -0.0000000), wk = 0.0019841 k( 150) = ( 0.3253012 0.3253012 -0.0000000), wk = 0.0019841 k( 151) = ( 0.3192771 0.3192771 -0.0000000), wk = 0.0019841 k( 152) = ( 0.3132530 0.3132530 -0.0000000), wk = 0.0019841 k( 153) = ( 0.3072289 0.3072289 -0.0000000), wk = 0.0019841 k( 154) = ( 0.3012048 0.3012048 -0.0000000), wk = 0.0019841 k( 155) = ( 0.2951807 0.2951807 -0.0000000), wk = 0.0019841 k( 156) = ( 0.2891566 0.2891566 -0.0000000), wk = 0.0019841 k( 157) = ( 0.2831325 0.2831325 -0.0000000), wk = 0.0019841 k( 158) = ( 0.2771084 0.2771084 -0.0000000), wk = 0.0019841 k( 159) = ( 0.2710843 0.2710843 -0.0000000), wk = 0.0019841 k( 160) = ( 0.2650602 0.2650602 -0.0000000), wk = 0.0019841 k( 161) = ( 0.2590361 0.2590361 -0.0000000), wk = 0.0019841 k( 162) = ( 0.2530120 0.2530120 -0.0000000), wk = 0.0019841 k( 163) = ( 0.2469880 0.2469879 -0.0000000), wk = 0.0019841 k( 164) = ( 0.2409639 0.2409639 -0.0000000), wk = 0.0019841 k( 165) = ( 0.2349398 0.2349398 -0.0000000), wk = 0.0019841 k( 166) = ( 0.2289157 0.2289157 -0.0000000), wk = 0.0019841 k( 167) = ( 0.2228916 0.2228916 -0.0000000), wk = 0.0019841 k( 168) = ( 0.2168675 0.2168675 -0.0000000), wk = 0.0019841 k( 169) = ( 0.2108434 0.2108434 -0.0000000), wk = 0.0019841 k( 170) = ( 0.2048193 0.2048193 -0.0000000), wk = 0.0019841 k( 171) = ( 0.1987952 0.1987952 -0.0000000), wk = 0.0019841 k( 172) = ( 0.1927711 0.1927711 -0.0000000), wk = 0.0019841 k( 173) = ( 0.1867470 0.1867470 -0.0000000), wk = 0.0019841 k( 174) = ( 0.1807229 0.1807229 -0.0000000), wk = 0.0019841 k( 175) = ( 0.1746988 0.1746988 -0.0000000), wk = 0.0019841 k( 176) = ( 0.1686747 0.1686747 -0.0000000), wk = 0.0019841 k( 177) = ( 0.1626506 0.1626506 -0.0000000), wk = 0.0019841 k( 178) = ( 0.1566265 0.1566265 -0.0000000), wk = 0.0019841 k( 179) = ( 0.1506024 0.1506024 -0.0000000), wk = 0.0019841 k( 180) = ( 0.1445783 0.1445783 -0.0000000), wk = 0.0019841 k( 181) = ( 0.1385542 0.1385542 -0.0000000), wk = 0.0019841 k( 182) = ( 0.1325301 0.1325301 -0.0000000), wk = 0.0019841 k( 183) = ( 0.1265060 0.1265060 -0.0000000), wk = 0.0019841 k( 184) = ( 0.1204819 0.1204819 -0.0000000), wk = 0.0019841 k( 185) = ( 0.1144578 0.1144578 -0.0000000), wk = 0.0019841 k( 186) = ( 0.1084337 0.1084337 -0.0000000), wk = 0.0019841 k( 187) = ( 0.1024096 0.1024096 -0.0000000), wk = 0.0019841 k( 188) = ( 0.0963855 0.0963855 -0.0000000), wk = 0.0019841 k( 189) = ( 0.0903614 0.0903614 -0.0000000), wk = 0.0019841 k( 190) = ( 0.0843374 0.0843373 -0.0000000), wk = 0.0019841 k( 191) = ( 0.0783133 0.0783132 -0.0000000), wk = 0.0019841 k( 192) = ( 0.0722892 0.0722892 -0.0000000), wk = 0.0019841 k( 193) = ( 0.0662651 0.0662651 -0.0000000), wk = 0.0019841 k( 194) = ( 0.0602410 0.0602410 -0.0000000), wk = 0.0019841 k( 195) = ( 0.0542169 0.0542169 -0.0000000), wk = 0.0019841 k( 196) = ( 0.0481928 0.0481928 -0.0000000), wk = 0.0019841 k( 197) = ( 0.0421687 0.0421687 -0.0000000), wk = 0.0019841 k( 198) = ( 0.0361446 0.0361446 -0.0000000), wk = 0.0019841 k( 199) = ( 0.0301205 0.0301205 -0.0000000), wk = 0.0019841 k( 200) = ( 0.0240964 0.0240964 -0.0000000), wk = 0.0019841 k( 201) = ( 0.0180723 0.0180723 -0.0000000), wk = 0.0019841 k( 202) = ( 0.0120482 0.0120482 -0.0000000), wk = 0.0019841 k( 203) = ( 0.0060241 0.0060241 -0.0000000), wk = 0.0019841 k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019841 k( 205) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019841 k( 206) = ( 0.0000000 0.0000000 0.0085408), wk = 0.0019841 k( 207) = ( 0.0000000 0.0000000 0.0170815), wk = 0.0019841 k( 208) = ( 0.0000000 0.0000000 0.0256223), wk = 0.0019841 k( 209) = ( 0.0000000 0.0000000 0.0341631), wk = 0.0019841 k( 210) = ( 0.0000000 0.0000000 0.0427038), wk = 0.0019841 k( 211) = ( 0.0000000 0.0000000 0.0512446), wk = 0.0019841 k( 212) = ( 0.0000000 0.0000000 0.0597854), wk = 0.0019841 k( 213) = ( 0.0000000 0.0000000 0.0683261), wk = 0.0019841 k( 214) = ( 0.0000000 0.0000000 0.0768669), wk = 0.0019841 k( 215) = ( 0.0000000 0.0000000 0.0854077), wk = 0.0019841 k( 216) = ( 0.0000000 0.0000000 0.0939484), wk = 0.0019841 k( 217) = ( 0.0000000 0.0000000 0.1024892), wk = 0.0019841 k( 218) = ( 0.0000000 0.0000000 0.1110300), wk = 0.0019841 k( 219) = ( 0.0000000 0.0000000 0.1195707), wk = 0.0019841 k( 220) = ( 0.0000000 0.0000000 0.1281115), wk = 0.0019841 k( 221) = ( 0.0000000 0.0000000 0.1366523), wk = 0.0019841 k( 222) = ( 0.0000000 0.0000000 0.1451930), wk = 0.0019841 k( 223) = ( 0.0000000 0.0000000 0.1537338), wk = 0.0019841 k( 224) = ( 0.0000000 0.0000000 0.1622746), wk = 0.0019841 k( 225) = ( 0.0000000 0.0000000 0.1708153), wk = 0.0019841 k( 226) = ( 0.0000000 0.0000000 0.1793561), wk = 0.0019841 k( 227) = ( 0.0000000 0.0000000 0.1878969), wk = 0.0019841 k( 228) = ( 0.0000000 0.0000000 0.1964376), wk = 0.0019841 k( 229) = ( 0.0000000 0.0000000 0.2049784), wk = 0.0019841 k( 230) = ( 0.0000000 0.0000000 0.2135192), wk = 0.0019841 k( 231) = ( 0.0000000 0.0000000 0.2220599), wk = 0.0019841 k( 232) = ( 0.0000000 0.0000000 0.2306007), wk = 0.0019841 k( 233) = ( 0.0000000 0.0000000 0.2391415), wk = 0.0019841 k( 234) = ( 0.0000000 0.0000000 0.2476822), wk = 0.0019841 k( 235) = ( 0.0000000 0.0000000 0.2562230), wk = 0.0019841 k( 236) = ( 0.0000000 0.0000000 0.2647638), wk = 0.0019841 k( 237) = ( 0.0000000 0.0000000 0.2647638), wk = 0.0019841 k( 238) = ( 0.0000000 0.0084746 0.2647638), wk = 0.0019841 k( 239) = ( 0.0000000 0.0169491 0.2647638), wk = 0.0019841 k( 240) = ( 0.0000000 0.0254237 0.2647638), wk = 0.0019841 k( 241) = ( 0.0000000 0.0338983 0.2647638), wk = 0.0019841 k( 242) = ( 0.0000000 0.0423729 0.2647638), wk = 0.0019841 k( 243) = ( 0.0000000 0.0508475 0.2647638), wk = 0.0019841 k( 244) = ( 0.0000000 0.0593220 0.2647638), wk = 0.0019841 k( 245) = ( 0.0000000 0.0677966 0.2647638), wk = 0.0019841 k( 246) = ( 0.0000000 0.0762712 0.2647638), wk = 0.0019841 k( 247) = ( 0.0000000 0.0847458 0.2647638), wk = 0.0019841 k( 248) = ( 0.0000000 0.0932203 0.2647638), wk = 0.0019841 k( 249) = ( 0.0000000 0.1016949 0.2647638), wk = 0.0019841 k( 250) = ( 0.0000000 0.1101695 0.2647638), wk = 0.0019841 k( 251) = ( 0.0000000 0.1186441 0.2647638), wk = 0.0019841 k( 252) = ( 0.0000000 0.1271186 0.2647638), wk = 0.0019841 k( 253) = ( 0.0000000 0.1355932 0.2647638), wk = 0.0019841 k( 254) = ( 0.0000000 0.1440678 0.2647638), wk = 0.0019841 k( 255) = ( 0.0000000 0.1525424 0.2647638), wk = 0.0019841 k( 256) = ( 0.0000000 0.1610169 0.2647638), wk = 0.0019841 k( 257) = ( 0.0000000 0.1694915 0.2647638), wk = 0.0019841 k( 258) = ( 0.0000000 0.1779661 0.2647638), wk = 0.0019841 k( 259) = ( 0.0000000 0.1864407 0.2647638), wk = 0.0019841 k( 260) = ( 0.0000000 0.1949153 0.2647638), wk = 0.0019841 k( 261) = ( 0.0000000 0.2033898 0.2647638), wk = 0.0019841 k( 262) = ( 0.0000000 0.2118644 0.2647638), wk = 0.0019841 k( 263) = ( 0.0000000 0.2203390 0.2647638), wk = 0.0019841 k( 264) = ( 0.0000000 0.2288136 0.2647638), wk = 0.0019841 k( 265) = ( 0.0000000 0.2372881 0.2647638), wk = 0.0019841 k( 266) = ( 0.0000000 0.2457627 0.2647638), wk = 0.0019841 k( 267) = ( 0.0000000 0.2542373 0.2647638), wk = 0.0019841 k( 268) = ( 0.0000000 0.2627119 0.2647638), wk = 0.0019841 k( 269) = ( 0.0000000 0.2711864 0.2647638), wk = 0.0019841 k( 270) = ( 0.0000000 0.2796610 0.2647638), wk = 0.0019841 k( 271) = ( 0.0000000 0.2881356 0.2647638), wk = 0.0019841 k( 272) = ( 0.0000000 0.2966102 0.2647638), wk = 0.0019841 k( 273) = ( 0.0000000 0.3050848 0.2647638), wk = 0.0019841 k( 274) = ( 0.0000000 0.3135593 0.2647638), wk = 0.0019841 k( 275) = ( 0.0000000 0.3220339 0.2647638), wk = 0.0019841 k( 276) = ( 0.0000000 0.3305085 0.2647638), wk = 0.0019841 k( 277) = ( 0.0000000 0.3389831 0.2647638), wk = 0.0019841 k( 278) = ( 0.0000000 0.3474576 0.2647638), wk = 0.0019841 k( 279) = ( 0.0000000 0.3559322 0.2647638), wk = 0.0019841 k( 280) = ( 0.0000000 0.3644068 0.2647638), wk = 0.0019841 k( 281) = ( 0.0000000 0.3728814 0.2647638), wk = 0.0019841 k( 282) = ( 0.0000000 0.3813559 0.2647638), wk = 0.0019841 k( 283) = ( 0.0000000 0.3898305 0.2647638), wk = 0.0019841 k( 284) = ( 0.0000000 0.3983051 0.2647638), wk = 0.0019841 k( 285) = ( 0.0000000 0.4067797 0.2647638), wk = 0.0019841 k( 286) = ( 0.0000000 0.4152542 0.2647638), wk = 0.0019841 k( 287) = ( 0.0000000 0.4237288 0.2647638), wk = 0.0019841 k( 288) = ( 0.0000000 0.4322034 0.2647638), wk = 0.0019841 k( 289) = ( 0.0000000 0.4406780 0.2647638), wk = 0.0019841 k( 290) = ( 0.0000000 0.4491525 0.2647638), wk = 0.0019841 k( 291) = ( 0.0000000 0.4576271 0.2647638), wk = 0.0019841 k( 292) = ( 0.0000000 0.4661017 0.2647638), wk = 0.0019841 k( 293) = ( 0.0000000 0.4745763 0.2647638), wk = 0.0019841 k( 294) = ( 0.0000000 0.4830508 0.2647638), wk = 0.0019841 k( 295) = ( 0.0000000 0.4915254 0.2647638), wk = 0.0019841 k( 296) = ( 0.0000000 0.5000000 0.2647638), wk = 0.0019841 k( 297) = ( 0.0000000 0.5000000 0.2647638), wk = 0.0019841 k( 298) = ( 0.0084746 0.5000000 0.2647638), wk = 0.0019841 k( 299) = ( 0.0169491 0.5000000 0.2647638), wk = 0.0019841 k( 300) = ( 0.0254237 0.5000000 0.2647638), wk = 0.0019841 k( 301) = ( 0.0338983 0.5000000 0.2647638), wk = 0.0019841 k( 302) = ( 0.0423729 0.5000000 0.2647638), wk = 0.0019841 k( 303) = ( 0.0508475 0.5000000 0.2647638), wk = 0.0019841 k( 304) = ( 0.0593220 0.5000000 0.2647638), wk = 0.0019841 k( 305) = ( 0.0677966 0.5000000 0.2647638), wk = 0.0019841 k( 306) = ( 0.0762712 0.5000000 0.2647638), wk = 0.0019841 k( 307) = ( 0.0847458 0.5000000 0.2647638), wk = 0.0019841 k( 308) = ( 0.0932203 0.5000000 0.2647638), wk = 0.0019841 k( 309) = ( 0.1016949 0.5000000 0.2647638), wk = 0.0019841 k( 310) = ( 0.1101695 0.5000000 0.2647638), wk = 0.0019841 k( 311) = ( 0.1186441 0.5000000 0.2647638), wk = 0.0019841 k( 312) = ( 0.1271186 0.5000000 0.2647638), wk = 0.0019841 k( 313) = ( 0.1355932 0.5000000 0.2647638), wk = 0.0019841 k( 314) = ( 0.1440678 0.5000000 0.2647638), wk = 0.0019841 k( 315) = ( 0.1525424 0.5000000 0.2647638), wk = 0.0019841 k( 316) = ( 0.1610169 0.5000000 0.2647638), wk = 0.0019841 k( 317) = ( 0.1694915 0.5000000 0.2647638), wk = 0.0019841 k( 318) = ( 0.1779661 0.5000000 0.2647638), wk = 0.0019841 k( 319) = ( 0.1864407 0.5000000 0.2647638), wk = 0.0019841 k( 320) = ( 0.1949153 0.5000000 0.2647638), wk = 0.0019841 k( 321) = ( 0.2033898 0.5000000 0.2647638), wk = 0.0019841 k( 322) = ( 0.2118644 0.5000000 0.2647638), wk = 0.0019841 k( 323) = ( 0.2203390 0.5000000 0.2647638), wk = 0.0019841 k( 324) = ( 0.2288136 0.5000000 0.2647638), wk = 0.0019841 k( 325) = ( 0.2372881 0.5000000 0.2647638), wk = 0.0019841 k( 326) = ( 0.2457627 0.5000000 0.2647638), wk = 0.0019841 k( 327) = ( 0.2542373 0.5000000 0.2647638), wk = 0.0019841 k( 328) = ( 0.2627119 0.5000000 0.2647638), wk = 0.0019841 k( 329) = ( 0.2711864 0.5000000 0.2647638), wk = 0.0019841 k( 330) = ( 0.2796610 0.5000000 0.2647638), wk = 0.0019841 k( 331) = ( 0.2881356 0.5000000 0.2647638), wk = 0.0019841 k( 332) = ( 0.2966102 0.5000000 0.2647638), wk = 0.0019841 k( 333) = ( 0.3050848 0.5000000 0.2647638), wk = 0.0019841 k( 334) = ( 0.3135593 0.5000000 0.2647638), wk = 0.0019841 k( 335) = ( 0.3220339 0.5000000 0.2647638), wk = 0.0019841 k( 336) = ( 0.3305085 0.5000000 0.2647638), wk = 0.0019841 k( 337) = ( 0.3389831 0.5000000 0.2647638), wk = 0.0019841 k( 338) = ( 0.3474576 0.5000000 0.2647638), wk = 0.0019841 k( 339) = ( 0.3559322 0.5000000 0.2647638), wk = 0.0019841 k( 340) = ( 0.3644068 0.5000000 0.2647638), wk = 0.0019841 k( 341) = ( 0.3728814 0.5000000 0.2647638), wk = 0.0019841 k( 342) = ( 0.3813559 0.5000000 0.2647638), wk = 0.0019841 k( 343) = ( 0.3898305 0.5000000 0.2647638), wk = 0.0019841 k( 344) = ( 0.3983051 0.5000000 0.2647638), wk = 0.0019841 k( 345) = ( 0.4067797 0.5000000 0.2647638), wk = 0.0019841 k( 346) = ( 0.4152542 0.5000000 0.2647638), wk = 0.0019841 k( 347) = ( 0.4237288 0.5000000 0.2647638), wk = 0.0019841 k( 348) = ( 0.4322034 0.5000000 0.2647638), wk = 0.0019841 k( 349) = ( 0.4406780 0.5000000 0.2647638), wk = 0.0019841 k( 350) = ( 0.4491525 0.5000000 0.2647638), wk = 0.0019841 k( 351) = ( 0.4576271 0.5000000 0.2647638), wk = 0.0019841 k( 352) = ( 0.4661017 0.5000000 0.2647638), wk = 0.0019841 k( 353) = ( 0.4745763 0.5000000 0.2647638), wk = 0.0019841 k( 354) = ( 0.4830508 0.5000000 0.2647638), wk = 0.0019841 k( 355) = ( 0.4915254 0.5000000 0.2647638), wk = 0.0019841 k( 356) = ( 0.5000000 0.5000000 0.2647638), wk = 0.0019841 k( 357) = ( 0.5000000 0.5000000 0.2647638), wk = 0.0019841 k( 358) = ( 0.4939759 0.4939759 0.2647638), wk = 0.0019841 k( 359) = ( 0.4879518 0.4879518 0.2647638), wk = 0.0019841 k( 360) = ( 0.4819277 0.4819277 0.2647638), wk = 0.0019841 k( 361) = ( 0.4759036 0.4759036 0.2647638), wk = 0.0019841 k( 362) = ( 0.4698795 0.4698795 0.2647638), wk = 0.0019841 k( 363) = ( 0.4638554 0.4638554 0.2647638), wk = 0.0019841 k( 364) = ( 0.4578313 0.4578313 0.2647638), wk = 0.0019841 k( 365) = ( 0.4518072 0.4518072 0.2647638), wk = 0.0019841 k( 366) = ( 0.4457831 0.4457831 0.2647638), wk = 0.0019841 k( 367) = ( 0.4397590 0.4397590 0.2647638), wk = 0.0019841 k( 368) = ( 0.4337349 0.4337349 0.2647638), wk = 0.0019841 k( 369) = ( 0.4277108 0.4277108 0.2647638), wk = 0.0019841 k( 370) = ( 0.4216867 0.4216867 0.2647638), wk = 0.0019841 k( 371) = ( 0.4156627 0.4156626 0.2647638), wk = 0.0019841 k( 372) = ( 0.4096385 0.4096385 0.2647638), wk = 0.0019841 k( 373) = ( 0.4036145 0.4036145 0.2647638), wk = 0.0019841 k( 374) = ( 0.3975904 0.3975904 0.2647638), wk = 0.0019841 k( 375) = ( 0.3915663 0.3915663 0.2647638), wk = 0.0019841 k( 376) = ( 0.3855422 0.3855422 0.2647638), wk = 0.0019841 k( 377) = ( 0.3795181 0.3795181 0.2647638), wk = 0.0019841 k( 378) = ( 0.3734940 0.3734940 0.2647638), wk = 0.0019841 k( 379) = ( 0.3674699 0.3674699 0.2647638), wk = 0.0019841 k( 380) = ( 0.3614458 0.3614458 0.2647638), wk = 0.0019841 k( 381) = ( 0.3554217 0.3554217 0.2647638), wk = 0.0019841 k( 382) = ( 0.3493976 0.3493976 0.2647638), wk = 0.0019841 k( 383) = ( 0.3433735 0.3433735 0.2647638), wk = 0.0019841 k( 384) = ( 0.3373494 0.3373494 0.2647638), wk = 0.0019841 k( 385) = ( 0.3313253 0.3313253 0.2647638), wk = 0.0019841 k( 386) = ( 0.3253012 0.3253012 0.2647638), wk = 0.0019841 k( 387) = ( 0.3192771 0.3192771 0.2647638), wk = 0.0019841 k( 388) = ( 0.3132530 0.3132530 0.2647638), wk = 0.0019841 k( 389) = ( 0.3072289 0.3072289 0.2647638), wk = 0.0019841 k( 390) = ( 0.3012048 0.3012048 0.2647638), wk = 0.0019841 k( 391) = ( 0.2951807 0.2951807 0.2647638), wk = 0.0019841 k( 392) = ( 0.2891566 0.2891566 0.2647638), wk = 0.0019841 k( 393) = ( 0.2831325 0.2831325 0.2647638), wk = 0.0019841 k( 394) = ( 0.2771084 0.2771084 0.2647638), wk = 0.0019841 k( 395) = ( 0.2710843 0.2710843 0.2647638), wk = 0.0019841 k( 396) = ( 0.2650602 0.2650602 0.2647638), wk = 0.0019841 k( 397) = ( 0.2590361 0.2590361 0.2647638), wk = 0.0019841 k( 398) = ( 0.2530120 0.2530120 0.2647638), wk = 0.0019841 k( 399) = ( 0.2469880 0.2469879 0.2647638), wk = 0.0019841 k( 400) = ( 0.2409639 0.2409639 0.2647638), wk = 0.0019841 k( 401) = ( 0.2349398 0.2349398 0.2647638), wk = 0.0019841 k( 402) = ( 0.2289157 0.2289157 0.2647638), wk = 0.0019841 k( 403) = ( 0.2228916 0.2228916 0.2647638), wk = 0.0019841 k( 404) = ( 0.2168675 0.2168675 0.2647638), wk = 0.0019841 k( 405) = ( 0.2108434 0.2108434 0.2647638), wk = 0.0019841 k( 406) = ( 0.2048193 0.2048193 0.2647638), wk = 0.0019841 k( 407) = ( 0.1987952 0.1987952 0.2647638), wk = 0.0019841 k( 408) = ( 0.1927711 0.1927711 0.2647638), wk = 0.0019841 k( 409) = ( 0.1867470 0.1867470 0.2647638), wk = 0.0019841 k( 410) = ( 0.1807229 0.1807229 0.2647638), wk = 0.0019841 k( 411) = ( 0.1746988 0.1746988 0.2647638), wk = 0.0019841 k( 412) = ( 0.1686747 0.1686747 0.2647638), wk = 0.0019841 k( 413) = ( 0.1626506 0.1626506 0.2647638), wk = 0.0019841 k( 414) = ( 0.1566265 0.1566265 0.2647638), wk = 0.0019841 k( 415) = ( 0.1506024 0.1506024 0.2647638), wk = 0.0019841 k( 416) = ( 0.1445783 0.1445783 0.2647638), wk = 0.0019841 k( 417) = ( 0.1385542 0.1385542 0.2647638), wk = 0.0019841 k( 418) = ( 0.1325301 0.1325301 0.2647638), wk = 0.0019841 k( 419) = ( 0.1265060 0.1265060 0.2647638), wk = 0.0019841 k( 420) = ( 0.1204819 0.1204819 0.2647638), wk = 0.0019841 k( 421) = ( 0.1144578 0.1144578 0.2647638), wk = 0.0019841 k( 422) = ( 0.1084337 0.1084337 0.2647638), wk = 0.0019841 k( 423) = ( 0.1024096 0.1024096 0.2647638), wk = 0.0019841 k( 424) = ( 0.0963855 0.0963855 0.2647638), wk = 0.0019841 k( 425) = ( 0.0903614 0.0903614 0.2647638), wk = 0.0019841 k( 426) = ( 0.0843374 0.0843373 0.2647638), wk = 0.0019841 k( 427) = ( 0.0783133 0.0783132 0.2647638), wk = 0.0019841 k( 428) = ( 0.0722892 0.0722892 0.2647638), wk = 0.0019841 k( 429) = ( 0.0662651 0.0662651 0.2647638), wk = 0.0019841 k( 430) = ( 0.0602410 0.0602410 0.2647638), wk = 0.0019841 k( 431) = ( 0.0542169 0.0542169 0.2647638), wk = 0.0019841 k( 432) = ( 0.0481928 0.0481928 0.2647638), wk = 0.0019841 k( 433) = ( 0.0421687 0.0421687 0.2647638), wk = 0.0019841 k( 434) = ( 0.0361446 0.0361446 0.2647638), wk = 0.0019841 k( 435) = ( 0.0301205 0.0301205 0.2647638), wk = 0.0019841 k( 436) = ( 0.0240964 0.0240964 0.2647638), wk = 0.0019841 k( 437) = ( 0.0180723 0.0180723 0.2647638), wk = 0.0019841 k( 438) = ( 0.0120482 0.0120482 0.2647638), wk = 0.0019841 k( 439) = ( 0.0060241 0.0060241 0.2647638), wk = 0.0019841 k( 440) = ( 0.0000000 0.0000000 0.2647638), wk = 0.0019841 k( 441) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0019841 k( 442) = ( 0.0000000 0.5000000 0.0085408), wk = 0.0019841 k( 443) = ( 0.0000000 0.5000000 0.0170815), wk = 0.0019841 k( 444) = ( 0.0000000 0.5000000 0.0256223), wk = 0.0019841 k( 445) = ( 0.0000000 0.5000000 0.0341631), wk = 0.0019841 k( 446) = ( 0.0000000 0.5000000 0.0427038), wk = 0.0019841 k( 447) = ( 0.0000000 0.5000000 0.0512446), wk = 0.0019841 k( 448) = ( 0.0000000 0.5000000 0.0597854), wk = 0.0019841 k( 449) = ( 0.0000000 0.5000000 0.0683261), wk = 0.0019841 k( 450) = ( 0.0000000 0.5000000 0.0768669), wk = 0.0019841 k( 451) = ( 0.0000000 0.5000000 0.0854077), wk = 0.0019841 k( 452) = ( 0.0000000 0.5000000 0.0939484), wk = 0.0019841 k( 453) = ( 0.0000000 0.5000000 0.1024892), wk = 0.0019841 k( 454) = ( 0.0000000 0.5000000 0.1110300), wk = 0.0019841 k( 455) = ( 0.0000000 0.5000000 0.1195707), wk = 0.0019841 k( 456) = ( 0.0000000 0.5000000 0.1281115), wk = 0.0019841 k( 457) = ( 0.0000000 0.5000000 0.1366523), wk = 0.0019841 k( 458) = ( 0.0000000 0.5000000 0.1451930), wk = 0.0019841 k( 459) = ( 0.0000000 0.5000000 0.1537338), wk = 0.0019841 k( 460) = ( 0.0000000 0.5000000 0.1622746), wk = 0.0019841 k( 461) = ( 0.0000000 0.5000000 0.1708153), wk = 0.0019841 k( 462) = ( 0.0000000 0.5000000 0.1793561), wk = 0.0019841 k( 463) = ( 0.0000000 0.5000000 0.1878969), wk = 0.0019841 k( 464) = ( 0.0000000 0.5000000 0.1964376), wk = 0.0019841 k( 465) = ( 0.0000000 0.5000000 0.2049784), wk = 0.0019841 k( 466) = ( 0.0000000 0.5000000 0.2135192), wk = 0.0019841 k( 467) = ( 0.0000000 0.5000000 0.2220599), wk = 0.0019841 k( 468) = ( 0.0000000 0.5000000 0.2306007), wk = 0.0019841 k( 469) = ( 0.0000000 0.5000000 0.2391415), wk = 0.0019841 k( 470) = ( 0.0000000 0.5000000 0.2476822), wk = 0.0019841 k( 471) = ( 0.0000000 0.5000000 0.2562230), wk = 0.0019841 k( 472) = ( 0.0000000 0.5000000 0.2647638), wk = 0.0019841 k( 473) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0019841 k( 474) = ( 0.5000000 0.5000000 0.0085408), wk = 0.0019841 k( 475) = ( 0.5000000 0.5000000 0.0170815), wk = 0.0019841 k( 476) = ( 0.5000000 0.5000000 0.0256223), wk = 0.0019841 k( 477) = ( 0.5000000 0.5000000 0.0341631), wk = 0.0019841 k( 478) = ( 0.5000000 0.5000000 0.0427038), wk = 0.0019841 k( 479) = ( 0.5000000 0.5000000 0.0512446), wk = 0.0019841 k( 480) = ( 0.5000000 0.5000000 0.0597854), wk = 0.0019841 k( 481) = ( 0.5000000 0.5000000 0.0683261), wk = 0.0019841 k( 482) = ( 0.5000000 0.5000000 0.0768669), wk = 0.0019841 k( 483) = ( 0.5000000 0.5000000 0.0854077), wk = 0.0019841 k( 484) = ( 0.5000000 0.5000000 0.0939484), wk = 0.0019841 k( 485) = ( 0.5000000 0.5000000 0.1024892), wk = 0.0019841 k( 486) = ( 0.5000000 0.5000000 0.1110300), wk = 0.0019841 k( 487) = ( 0.5000000 0.5000000 0.1195707), wk = 0.0019841 k( 488) = ( 0.5000000 0.5000000 0.1281115), wk = 0.0019841 k( 489) = ( 0.5000000 0.5000000 0.1366523), wk = 0.0019841 k( 490) = ( 0.5000000 0.5000000 0.1451930), wk = 0.0019841 k( 491) = ( 0.5000000 0.5000000 0.1537338), wk = 0.0019841 k( 492) = ( 0.5000000 0.5000000 0.1622746), wk = 0.0019841 k( 493) = ( 0.5000000 0.5000000 0.1708153), wk = 0.0019841 k( 494) = ( 0.5000000 0.5000000 0.1793561), wk = 0.0019841 k( 495) = ( 0.5000000 0.5000000 0.1878969), wk = 0.0019841 k( 496) = ( 0.5000000 0.5000000 0.1964376), wk = 0.0019841 k( 497) = ( 0.5000000 0.5000000 0.2049784), wk = 0.0019841 k( 498) = ( 0.5000000 0.5000000 0.2135192), wk = 0.0019841 k( 499) = ( 0.5000000 0.5000000 0.2220599), wk = 0.0019841 k( 500) = ( 0.5000000 0.5000000 0.2306007), wk = 0.0019841 k( 501) = ( 0.5000000 0.5000000 0.2391415), wk = 0.0019841 k( 502) = ( 0.5000000 0.5000000 0.2476822), wk = 0.0019841 k( 503) = ( 0.5000000 0.5000000 0.2562230), wk = 0.0019841 k( 504) = ( 0.5000000 0.5000000 0.2647638), wk = 0.0019841 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019841 k( 2) = ( 0.0000000 0.0084746 -0.0000000), wk = 0.0019841 k( 3) = ( 0.0000000 0.0169491 -0.0000000), wk = 0.0019841 k( 4) = ( 0.0000000 0.0254237 0.0000000), wk = 0.0019841 k( 5) = ( 0.0000000 0.0338983 -0.0000000), wk = 0.0019841 k( 6) = ( 0.0000000 0.0423729 -0.0000000), wk = 0.0019841 k( 7) = ( 0.0000000 0.0508475 0.0000000), wk = 0.0019841 k( 8) = ( 0.0000000 0.0593220 -0.0000000), wk = 0.0019841 k( 9) = ( 0.0000000 0.0677966 -0.0000000), wk = 0.0019841 k( 10) = ( 0.0000000 0.0762712 0.0000000), wk = 0.0019841 k( 11) = ( 0.0000000 0.0847458 -0.0000000), wk = 0.0019841 k( 12) = ( 0.0000000 0.0932203 -0.0000000), wk = 0.0019841 k( 13) = ( 0.0000000 0.1016949 0.0000000), wk = 0.0019841 k( 14) = ( 0.0000000 0.1101695 -0.0000000), wk = 0.0019841 k( 15) = ( 0.0000000 0.1186441 -0.0000000), wk = 0.0019841 k( 16) = ( 0.0000000 0.1271186 -0.0000000), wk = 0.0019841 k( 17) = ( 0.0000000 0.1355932 -0.0000000), wk = 0.0019841 k( 18) = ( 0.0000000 0.1440678 -0.0000000), wk = 0.0019841 k( 19) = ( 0.0000000 0.1525424 -0.0000000), wk = 0.0019841 k( 20) = ( 0.0000000 0.1610169 0.0000000), wk = 0.0019841 k( 21) = ( 0.0000000 0.1694915 -0.0000000), wk = 0.0019841 k( 22) = ( 0.0000000 0.1779661 0.0000000), wk = 0.0019841 k( 23) = ( 0.0000000 0.1864407 -0.0000000), wk = 0.0019841 k( 24) = ( 0.0000000 0.1949153 0.0000000), wk = 0.0019841 k( 25) = ( 0.0000000 0.2033898 -0.0000000), wk = 0.0019841 k( 26) = ( 0.0000000 0.2118644 -0.0000000), wk = 0.0019841 k( 27) = ( 0.0000000 0.2203390 -0.0000000), wk = 0.0019841 k( 28) = ( 0.0000000 0.2288136 0.0000000), wk = 0.0019841 k( 29) = ( 0.0000000 0.2372881 -0.0000000), wk = 0.0019841 k( 30) = ( 0.0000000 0.2457627 0.0000000), wk = 0.0019841 k( 31) = ( 0.0000000 0.2542373 -0.0000000), wk = 0.0019841 k( 32) = ( 0.0000000 0.2627119 -0.0000000), wk = 0.0019841 k( 33) = ( 0.0000000 0.2711864 -0.0000000), wk = 0.0019841 k( 34) = ( 0.0000000 0.2796610 -0.0000000), wk = 0.0019841 k( 35) = ( 0.0000000 0.2881356 0.0000000), wk = 0.0019841 k( 36) = ( 0.0000000 0.2966102 0.0000000), wk = 0.0019841 k( 37) = ( 0.0000000 0.3050848 -0.0000000), wk = 0.0019841 k( 38) = ( 0.0000000 0.3135593 -0.0000000), wk = 0.0019841 k( 39) = ( 0.0000000 0.3220339 0.0000000), wk = 0.0019841 k( 40) = ( 0.0000000 0.3305085 0.0000000), wk = 0.0019841 k( 41) = ( 0.0000000 0.3389831 -0.0000000), wk = 0.0019841 k( 42) = ( 0.0000000 0.3474576 -0.0000000), wk = 0.0019841 k( 43) = ( 0.0000000 0.3559322 0.0000000), wk = 0.0019841 k( 44) = ( 0.0000000 0.3644068 -0.0000000), wk = 0.0019841 k( 45) = ( 0.0000000 0.3728814 -0.0000000), wk = 0.0019841 k( 46) = ( 0.0000000 0.3813559 -0.0000000), wk = 0.0019841 k( 47) = ( 0.0000000 0.3898305 -0.0000000), wk = 0.0019841 k( 48) = ( 0.0000000 0.3983051 -0.0000000), wk = 0.0019841 k( 49) = ( 0.0000000 0.4067797 -0.0000000), wk = 0.0019841 k( 50) = ( 0.0000000 0.4152542 0.0000000), wk = 0.0019841 k( 51) = ( 0.0000000 0.4237288 -0.0000000), wk = 0.0019841 k( 52) = ( 0.0000000 0.4322034 0.0000000), wk = 0.0019841 k( 53) = ( 0.0000000 0.4406780 -0.0000000), wk = 0.0019841 k( 54) = ( 0.0000000 0.4491525 -0.0000000), wk = 0.0019841 k( 55) = ( 0.0000000 0.4576271 0.0000000), wk = 0.0019841 k( 56) = ( 0.0000000 0.4661017 -0.0000000), wk = 0.0019841 k( 57) = ( 0.0000000 0.4745763 -0.0000000), wk = 0.0019841 k( 58) = ( 0.0000000 0.4830508 0.0000000), wk = 0.0019841 k( 59) = ( 0.0000000 0.4915254 0.0000000), wk = 0.0019841 k( 60) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0019841 k( 61) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0019841 k( 62) = ( 0.0084746 0.5000000 0.0000000), wk = 0.0019841 k( 63) = ( 0.0169491 0.5000000 0.0000000), wk = 0.0019841 k( 64) = ( 0.0254237 0.5000000 -0.0000000), wk = 0.0019841 k( 65) = ( 0.0338983 0.5000000 -0.0000000), wk = 0.0019841 k( 66) = ( 0.0423729 0.5000000 -0.0000000), wk = 0.0019841 k( 67) = ( 0.0508475 0.5000000 -0.0000000), wk = 0.0019841 k( 68) = ( 0.0593220 0.5000000 0.0000000), wk = 0.0019841 k( 69) = ( 0.0677966 0.5000000 0.0000000), wk = 0.0019841 k( 70) = ( 0.0762712 0.5000000 -0.0000000), wk = 0.0019841 k( 71) = ( 0.0847458 0.5000000 -0.0000000), wk = 0.0019841 k( 72) = ( 0.0932203 0.5000000 0.0000000), wk = 0.0019841 k( 73) = ( 0.1016949 0.5000000 -0.0000000), wk = 0.0019841 k( 74) = ( 0.1101695 0.5000000 -0.0000000), wk = 0.0019841 k( 75) = ( 0.1186441 0.5000000 -0.0000000), wk = 0.0019841 k( 76) = ( 0.1271186 0.5000000 -0.0000000), wk = 0.0019841 k( 77) = ( 0.1355932 0.5000000 -0.0000000), wk = 0.0019841 k( 78) = ( 0.1440678 0.5000000 -0.0000000), wk = 0.0019841 k( 79) = ( 0.1525424 0.5000000 0.0000000), wk = 0.0019841 k( 80) = ( 0.1610169 0.5000000 -0.0000000), wk = 0.0019841 k( 81) = ( 0.1694915 0.5000000 0.0000000), wk = 0.0019841 k( 82) = ( 0.1779661 0.5000000 -0.0000000), wk = 0.0019841 k( 83) = ( 0.1864407 0.5000000 0.0000000), wk = 0.0019841 k( 84) = ( 0.1949153 0.5000000 -0.0000000), wk = 0.0019841 k( 85) = ( 0.2033898 0.5000000 0.0000000), wk = 0.0019841 k( 86) = ( 0.2118644 0.5000000 -0.0000000), wk = 0.0019841 k( 87) = ( 0.2203390 0.5000000 0.0000000), wk = 0.0019841 k( 88) = ( 0.2288136 0.5000000 0.0000000), wk = 0.0019841 k( 89) = ( 0.2372881 0.5000000 0.0000000), wk = 0.0019841 k( 90) = ( 0.2457627 0.5000000 0.0000000), wk = 0.0019841 k( 91) = ( 0.2542373 0.5000000 0.0000000), wk = 0.0019841 k( 92) = ( 0.2627119 0.5000000 -0.0000000), wk = 0.0019841 k( 93) = ( 0.2711864 0.5000000 -0.0000000), wk = 0.0019841 k( 94) = ( 0.2796610 0.5000000 -0.0000000), wk = 0.0019841 k( 95) = ( 0.2881356 0.5000000 -0.0000000), wk = 0.0019841 k( 96) = ( 0.2966102 0.5000000 -0.0000000), wk = 0.0019841 k( 97) = ( 0.3050848 0.5000000 -0.0000000), wk = 0.0019841 k( 98) = ( 0.3135593 0.5000000 -0.0000000), wk = 0.0019841 k( 99) = ( 0.3220339 0.5000000 -0.0000000), wk = 0.0019841 k( 100) = ( 0.3305085 0.5000000 0.0000000), wk = 0.0019841 k( 101) = ( 0.3389831 0.5000000 -0.0000000), wk = 0.0019841 k( 102) = ( 0.3474576 0.5000000 -0.0000000), wk = 0.0019841 k( 103) = ( 0.3559322 0.5000000 -0.0000000), wk = 0.0019841 k( 104) = ( 0.3644068 0.5000000 -0.0000000), wk = 0.0019841 k( 105) = ( 0.3728814 0.5000000 -0.0000000), wk = 0.0019841 k( 106) = ( 0.3813559 0.5000000 -0.0000000), wk = 0.0019841 k( 107) = ( 0.3898305 0.5000000 -0.0000000), wk = 0.0019841 k( 108) = ( 0.3983051 0.5000000 -0.0000000), wk = 0.0019841 k( 109) = ( 0.4067797 0.5000000 0.0000000), wk = 0.0019841 k( 110) = ( 0.4152542 0.5000000 0.0000000), wk = 0.0019841 k( 111) = ( 0.4237288 0.5000000 -0.0000000), wk = 0.0019841 k( 112) = ( 0.4322034 0.5000000 -0.0000000), wk = 0.0019841 k( 113) = ( 0.4406780 0.5000000 -0.0000000), wk = 0.0019841 k( 114) = ( 0.4491525 0.5000000 -0.0000000), wk = 0.0019841 k( 115) = ( 0.4576271 0.5000000 -0.0000000), wk = 0.0019841 k( 116) = ( 0.4661017 0.5000000 -0.0000000), wk = 0.0019841 k( 117) = ( 0.4745763 0.5000000 0.0000000), wk = 0.0019841 k( 118) = ( 0.4830508 0.5000000 -0.0000000), wk = 0.0019841 k( 119) = ( 0.4915254 0.5000000 0.0000000), wk = 0.0019841 k( 120) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0019841 k( 121) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0019841 k( 122) = ( 0.4939759 0.4939759 -0.0000000), wk = 0.0019841 k( 123) = ( 0.4879518 0.4879518 0.0000000), wk = 0.0019841 k( 124) = ( 0.4819277 0.4819277 -0.0000000), wk = 0.0019841 k( 125) = ( 0.4759036 0.4759036 -0.0000000), wk = 0.0019841 k( 126) = ( 0.4698795 0.4698795 -0.0000000), wk = 0.0019841 k( 127) = ( 0.4638554 0.4638554 -0.0000000), wk = 0.0019841 k( 128) = ( 0.4578313 0.4578313 -0.0000000), wk = 0.0019841 k( 129) = ( 0.4518072 0.4518072 0.0000000), wk = 0.0019841 k( 130) = ( 0.4457831 0.4457831 0.0000000), wk = 0.0019841 k( 131) = ( 0.4397590 0.4397590 0.0000000), wk = 0.0019841 k( 132) = ( 0.4337349 0.4337349 -0.0000000), wk = 0.0019841 k( 133) = ( 0.4277108 0.4277108 -0.0000000), wk = 0.0019841 k( 134) = ( 0.4216867 0.4216867 -0.0000000), wk = 0.0019841 k( 135) = ( 0.4156627 0.4156627 0.0000000), wk = 0.0019841 k( 136) = ( 0.4096385 0.4096385 0.0000000), wk = 0.0019841 k( 137) = ( 0.4036145 0.4036145 -0.0000000), wk = 0.0019841 k( 138) = ( 0.3975904 0.3975904 -0.0000000), wk = 0.0019841 k( 139) = ( 0.3915663 0.3915663 -0.0000000), wk = 0.0019841 k( 140) = ( 0.3855422 0.3855422 -0.0000000), wk = 0.0019841 k( 141) = ( 0.3795181 0.3795181 0.0000000), wk = 0.0019841 k( 142) = ( 0.3734940 0.3734940 0.0000000), wk = 0.0019841 k( 143) = ( 0.3674699 0.3674699 -0.0000000), wk = 0.0019841 k( 144) = ( 0.3614458 0.3614458 -0.0000000), wk = 0.0019841 k( 145) = ( 0.3554217 0.3554217 -0.0000000), wk = 0.0019841 k( 146) = ( 0.3493976 0.3493976 -0.0000000), wk = 0.0019841 k( 147) = ( 0.3433735 0.3433735 0.0000000), wk = 0.0019841 k( 148) = ( 0.3373494 0.3373494 -0.0000000), wk = 0.0019841 k( 149) = ( 0.3313253 0.3313253 -0.0000000), wk = 0.0019841 k( 150) = ( 0.3253012 0.3253012 -0.0000000), wk = 0.0019841 k( 151) = ( 0.3192771 0.3192771 0.0000000), wk = 0.0019841 k( 152) = ( 0.3132530 0.3132530 -0.0000000), wk = 0.0019841 k( 153) = ( 0.3072289 0.3072289 0.0000000), wk = 0.0019841 k( 154) = ( 0.3012048 0.3012048 0.0000000), wk = 0.0019841 k( 155) = ( 0.2951807 0.2951807 0.0000000), wk = 0.0019841 k( 156) = ( 0.2891566 0.2891566 -0.0000000), wk = 0.0019841 k( 157) = ( 0.2831325 0.2831325 -0.0000000), wk = 0.0019841 k( 158) = ( 0.2771084 0.2771084 0.0000000), wk = 0.0019841 k( 159) = ( 0.2710843 0.2710843 -0.0000000), wk = 0.0019841 k( 160) = ( 0.2650602 0.2650602 0.0000000), wk = 0.0019841 k( 161) = ( 0.2590361 0.2590361 0.0000000), wk = 0.0019841 k( 162) = ( 0.2530120 0.2530120 0.0000000), wk = 0.0019841 k( 163) = ( 0.2469880 0.2469880 -0.0000000), wk = 0.0019841 k( 164) = ( 0.2409639 0.2409639 0.0000000), wk = 0.0019841 k( 165) = ( 0.2349398 0.2349398 -0.0000000), wk = 0.0019841 k( 166) = ( 0.2289157 0.2289157 -0.0000000), wk = 0.0019841 k( 167) = ( 0.2228916 0.2228916 0.0000000), wk = 0.0019841 k( 168) = ( 0.2168675 0.2168675 -0.0000000), wk = 0.0019841 k( 169) = ( 0.2108434 0.2108434 -0.0000000), wk = 0.0019841 k( 170) = ( 0.2048193 0.2048193 -0.0000000), wk = 0.0019841 k( 171) = ( 0.1987952 0.1987952 -0.0000000), wk = 0.0019841 k( 172) = ( 0.1927711 0.1927711 -0.0000000), wk = 0.0019841 k( 173) = ( 0.1867470 0.1867470 0.0000000), wk = 0.0019841 k( 174) = ( 0.1807229 0.1807229 -0.0000000), wk = 0.0019841 k( 175) = ( 0.1746988 0.1746988 0.0000000), wk = 0.0019841 k( 176) = ( 0.1686747 0.1686747 -0.0000000), wk = 0.0019841 k( 177) = ( 0.1626506 0.1626506 -0.0000000), wk = 0.0019841 k( 178) = ( 0.1566265 0.1566265 0.0000000), wk = 0.0019841 k( 179) = ( 0.1506024 0.1506024 0.0000000), wk = 0.0019841 k( 180) = ( 0.1445783 0.1445783 0.0000000), wk = 0.0019841 k( 181) = ( 0.1385542 0.1385542 0.0000000), wk = 0.0019841 k( 182) = ( 0.1325301 0.1325301 0.0000000), wk = 0.0019841 k( 183) = ( 0.1265060 0.1265060 -0.0000000), wk = 0.0019841 k( 184) = ( 0.1204819 0.1204819 0.0000000), wk = 0.0019841 k( 185) = ( 0.1144578 0.1144578 -0.0000000), wk = 0.0019841 k( 186) = ( 0.1084337 0.1084337 -0.0000000), wk = 0.0019841 k( 187) = ( 0.1024096 0.1024096 -0.0000000), wk = 0.0019841 k( 188) = ( 0.0963855 0.0963855 -0.0000000), wk = 0.0019841 k( 189) = ( 0.0903614 0.0903614 -0.0000000), wk = 0.0019841 k( 190) = ( 0.0843374 0.0843374 -0.0000000), wk = 0.0019841 k( 191) = ( 0.0783133 0.0783133 -0.0000000), wk = 0.0019841 k( 192) = ( 0.0722892 0.0722892 -0.0000000), wk = 0.0019841 k( 193) = ( 0.0662651 0.0662651 0.0000000), wk = 0.0019841 k( 194) = ( 0.0602410 0.0602410 -0.0000000), wk = 0.0019841 k( 195) = ( 0.0542169 0.0542169 -0.0000000), wk = 0.0019841 k( 196) = ( 0.0481928 0.0481928 -0.0000000), wk = 0.0019841 k( 197) = ( 0.0421687 0.0421687 0.0000000), wk = 0.0019841 k( 198) = ( 0.0361446 0.0361446 -0.0000000), wk = 0.0019841 k( 199) = ( 0.0301205 0.0301205 -0.0000000), wk = 0.0019841 k( 200) = ( 0.0240964 0.0240964 -0.0000000), wk = 0.0019841 k( 201) = ( 0.0180723 0.0180723 -0.0000000), wk = 0.0019841 k( 202) = ( 0.0120482 0.0120482 -0.0000000), wk = 0.0019841 k( 203) = ( 0.0060241 0.0060241 0.0000000), wk = 0.0019841 k( 204) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019841 k( 205) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0019841 k( 206) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0019841 k( 207) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0019841 k( 208) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0019841 k( 209) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0019841 k( 210) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0019841 k( 211) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0019841 k( 212) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0019841 k( 213) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0019841 k( 214) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0019841 k( 215) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0019841 k( 216) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0019841 k( 217) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0019841 k( 218) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0019841 k( 219) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0019841 k( 220) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0019841 k( 221) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0019841 k( 222) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0019841 k( 223) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0019841 k( 224) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0019841 k( 225) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0019841 k( 226) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0019841 k( 227) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0019841 k( 228) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0019841 k( 229) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0019841 k( 230) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0019841 k( 231) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0019841 k( 232) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0019841 k( 233) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0019841 k( 234) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0019841 k( 235) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0019841 k( 236) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019841 k( 237) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019841 k( 238) = ( 0.0000000 0.0084746 0.5000000), wk = 0.0019841 k( 239) = ( 0.0000000 0.0169491 0.5000000), wk = 0.0019841 k( 240) = ( 0.0000000 0.0254237 0.5000000), wk = 0.0019841 k( 241) = ( 0.0000000 0.0338983 0.5000000), wk = 0.0019841 k( 242) = ( 0.0000000 0.0423729 0.5000000), wk = 0.0019841 k( 243) = ( 0.0000000 0.0508475 0.5000000), wk = 0.0019841 k( 244) = ( 0.0000000 0.0593220 0.5000000), wk = 0.0019841 k( 245) = ( 0.0000000 0.0677966 0.5000000), wk = 0.0019841 k( 246) = ( 0.0000000 0.0762712 0.5000000), wk = 0.0019841 k( 247) = ( 0.0000000 0.0847458 0.5000000), wk = 0.0019841 k( 248) = ( 0.0000000 0.0932203 0.5000000), wk = 0.0019841 k( 249) = ( 0.0000000 0.1016949 0.5000000), wk = 0.0019841 k( 250) = ( 0.0000000 0.1101695 0.5000000), wk = 0.0019841 k( 251) = ( 0.0000000 0.1186441 0.5000000), wk = 0.0019841 k( 252) = ( 0.0000000 0.1271186 0.5000000), wk = 0.0019841 k( 253) = ( 0.0000000 0.1355932 0.5000000), wk = 0.0019841 k( 254) = ( 0.0000000 0.1440678 0.5000000), wk = 0.0019841 k( 255) = ( 0.0000000 0.1525424 0.5000000), wk = 0.0019841 k( 256) = ( 0.0000000 0.1610169 0.5000000), wk = 0.0019841 k( 257) = ( 0.0000000 0.1694915 0.5000000), wk = 0.0019841 k( 258) = ( 0.0000000 0.1779661 0.5000000), wk = 0.0019841 k( 259) = ( 0.0000000 0.1864407 0.5000000), wk = 0.0019841 k( 260) = ( 0.0000000 0.1949153 0.5000000), wk = 0.0019841 k( 261) = ( 0.0000000 0.2033898 0.5000000), wk = 0.0019841 k( 262) = ( 0.0000000 0.2118644 0.5000000), wk = 0.0019841 k( 263) = ( 0.0000000 0.2203390 0.5000000), wk = 0.0019841 k( 264) = ( 0.0000000 0.2288136 0.5000000), wk = 0.0019841 k( 265) = ( 0.0000000 0.2372881 0.5000000), wk = 0.0019841 k( 266) = ( 0.0000000 0.2457627 0.5000000), wk = 0.0019841 k( 267) = ( 0.0000000 0.2542373 0.5000000), wk = 0.0019841 k( 268) = ( 0.0000000 0.2627119 0.5000000), wk = 0.0019841 k( 269) = ( 0.0000000 0.2711864 0.5000000), wk = 0.0019841 k( 270) = ( 0.0000000 0.2796610 0.5000000), wk = 0.0019841 k( 271) = ( 0.0000000 0.2881356 0.5000000), wk = 0.0019841 k( 272) = ( 0.0000000 0.2966102 0.5000000), wk = 0.0019841 k( 273) = ( 0.0000000 0.3050848 0.5000000), wk = 0.0019841 k( 274) = ( 0.0000000 0.3135593 0.5000000), wk = 0.0019841 k( 275) = ( 0.0000000 0.3220339 0.5000000), wk = 0.0019841 k( 276) = ( 0.0000000 0.3305085 0.5000000), wk = 0.0019841 k( 277) = ( 0.0000000 0.3389831 0.5000000), wk = 0.0019841 k( 278) = ( 0.0000000 0.3474576 0.5000000), wk = 0.0019841 k( 279) = ( 0.0000000 0.3559322 0.5000000), wk = 0.0019841 k( 280) = ( 0.0000000 0.3644068 0.5000000), wk = 0.0019841 k( 281) = ( 0.0000000 0.3728814 0.5000000), wk = 0.0019841 k( 282) = ( 0.0000000 0.3813559 0.5000000), wk = 0.0019841 k( 283) = ( 0.0000000 0.3898305 0.5000000), wk = 0.0019841 k( 284) = ( 0.0000000 0.3983051 0.5000000), wk = 0.0019841 k( 285) = ( 0.0000000 0.4067797 0.5000000), wk = 0.0019841 k( 286) = ( 0.0000000 0.4152542 0.5000000), wk = 0.0019841 k( 287) = ( 0.0000000 0.4237288 0.5000000), wk = 0.0019841 k( 288) = ( 0.0000000 0.4322034 0.5000000), wk = 0.0019841 k( 289) = ( 0.0000000 0.4406780 0.5000000), wk = 0.0019841 k( 290) = ( 0.0000000 0.4491525 0.5000000), wk = 0.0019841 k( 291) = ( 0.0000000 0.4576271 0.5000000), wk = 0.0019841 k( 292) = ( 0.0000000 0.4661017 0.5000000), wk = 0.0019841 k( 293) = ( 0.0000000 0.4745763 0.5000000), wk = 0.0019841 k( 294) = ( 0.0000000 0.4830508 0.5000000), wk = 0.0019841 k( 295) = ( 0.0000000 0.4915254 0.5000000), wk = 0.0019841 k( 296) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0019841 k( 297) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0019841 k( 298) = ( 0.0084746 0.5000000 0.5000000), wk = 0.0019841 k( 299) = ( 0.0169491 0.5000000 0.5000000), wk = 0.0019841 k( 300) = ( 0.0254237 0.5000000 0.5000000), wk = 0.0019841 k( 301) = ( 0.0338983 0.5000000 0.5000000), wk = 0.0019841 k( 302) = ( 0.0423729 0.5000000 0.5000000), wk = 0.0019841 k( 303) = ( 0.0508475 0.5000000 0.5000000), wk = 0.0019841 k( 304) = ( 0.0593220 0.5000000 0.5000000), wk = 0.0019841 k( 305) = ( 0.0677966 0.5000000 0.5000000), wk = 0.0019841 k( 306) = ( 0.0762712 0.5000000 0.5000000), wk = 0.0019841 k( 307) = ( 0.0847458 0.5000000 0.5000000), wk = 0.0019841 k( 308) = ( 0.0932203 0.5000000 0.5000000), wk = 0.0019841 k( 309) = ( 0.1016949 0.5000000 0.5000000), wk = 0.0019841 k( 310) = ( 0.1101695 0.5000000 0.5000000), wk = 0.0019841 k( 311) = ( 0.1186441 0.5000000 0.5000000), wk = 0.0019841 k( 312) = ( 0.1271186 0.5000000 0.5000000), wk = 0.0019841 k( 313) = ( 0.1355932 0.5000000 0.5000000), wk = 0.0019841 k( 314) = ( 0.1440678 0.5000000 0.5000000), wk = 0.0019841 k( 315) = ( 0.1525424 0.5000000 0.5000000), wk = 0.0019841 k( 316) = ( 0.1610169 0.5000000 0.5000000), wk = 0.0019841 k( 317) = ( 0.1694915 0.5000000 0.5000000), wk = 0.0019841 k( 318) = ( 0.1779661 0.5000000 0.5000000), wk = 0.0019841 k( 319) = ( 0.1864407 0.5000000 0.5000000), wk = 0.0019841 k( 320) = ( 0.1949153 0.5000000 0.5000000), wk = 0.0019841 k( 321) = ( 0.2033898 0.5000000 0.5000000), wk = 0.0019841 k( 322) = ( 0.2118644 0.5000000 0.5000000), wk = 0.0019841 k( 323) = ( 0.2203390 0.5000000 0.5000000), wk = 0.0019841 k( 324) = ( 0.2288136 0.5000000 0.5000000), wk = 0.0019841 k( 325) = ( 0.2372881 0.5000000 0.5000000), wk = 0.0019841 k( 326) = ( 0.2457627 0.5000000 0.5000000), wk = 0.0019841 k( 327) = ( 0.2542373 0.5000000 0.5000000), wk = 0.0019841 k( 328) = ( 0.2627119 0.5000000 0.5000000), wk = 0.0019841 k( 329) = ( 0.2711864 0.5000000 0.5000000), wk = 0.0019841 k( 330) = ( 0.2796610 0.5000000 0.5000000), wk = 0.0019841 k( 331) = ( 0.2881356 0.5000000 0.5000000), wk = 0.0019841 k( 332) = ( 0.2966102 0.5000000 0.5000000), wk = 0.0019841 k( 333) = ( 0.3050848 0.5000000 0.5000000), wk = 0.0019841 k( 334) = ( 0.3135593 0.5000000 0.5000000), wk = 0.0019841 k( 335) = ( 0.3220339 0.5000000 0.5000000), wk = 0.0019841 k( 336) = ( 0.3305085 0.5000000 0.5000000), wk = 0.0019841 k( 337) = ( 0.3389831 0.5000000 0.5000000), wk = 0.0019841 k( 338) = ( 0.3474576 0.5000000 0.5000000), wk = 0.0019841 k( 339) = ( 0.3559322 0.5000000 0.5000000), wk = 0.0019841 k( 340) = ( 0.3644068 0.5000000 0.5000000), wk = 0.0019841 k( 341) = ( 0.3728814 0.5000000 0.5000000), wk = 0.0019841 k( 342) = ( 0.3813559 0.5000000 0.5000000), wk = 0.0019841 k( 343) = ( 0.3898305 0.5000000 0.5000000), wk = 0.0019841 k( 344) = ( 0.3983051 0.5000000 0.5000000), wk = 0.0019841 k( 345) = ( 0.4067797 0.5000000 0.5000000), wk = 0.0019841 k( 346) = ( 0.4152542 0.5000000 0.5000000), wk = 0.0019841 k( 347) = ( 0.4237288 0.5000000 0.5000000), wk = 0.0019841 k( 348) = ( 0.4322034 0.5000000 0.5000000), wk = 0.0019841 k( 349) = ( 0.4406780 0.5000000 0.5000000), wk = 0.0019841 k( 350) = ( 0.4491525 0.5000000 0.5000000), wk = 0.0019841 k( 351) = ( 0.4576271 0.5000000 0.5000000), wk = 0.0019841 k( 352) = ( 0.4661017 0.5000000 0.5000000), wk = 0.0019841 k( 353) = ( 0.4745763 0.5000000 0.5000000), wk = 0.0019841 k( 354) = ( 0.4830508 0.5000000 0.5000000), wk = 0.0019841 k( 355) = ( 0.4915254 0.5000000 0.5000000), wk = 0.0019841 k( 356) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019841 k( 357) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019841 k( 358) = ( 0.4939759 0.4939759 0.5000000), wk = 0.0019841 k( 359) = ( 0.4879518 0.4879518 0.5000000), wk = 0.0019841 k( 360) = ( 0.4819277 0.4819277 0.5000000), wk = 0.0019841 k( 361) = ( 0.4759036 0.4759036 0.5000000), wk = 0.0019841 k( 362) = ( 0.4698795 0.4698795 0.5000000), wk = 0.0019841 k( 363) = ( 0.4638554 0.4638554 0.5000000), wk = 0.0019841 k( 364) = ( 0.4578313 0.4578313 0.5000000), wk = 0.0019841 k( 365) = ( 0.4518072 0.4518072 0.5000000), wk = 0.0019841 k( 366) = ( 0.4457831 0.4457831 0.5000000), wk = 0.0019841 k( 367) = ( 0.4397590 0.4397590 0.5000000), wk = 0.0019841 k( 368) = ( 0.4337349 0.4337349 0.5000000), wk = 0.0019841 k( 369) = ( 0.4277108 0.4277108 0.5000000), wk = 0.0019841 k( 370) = ( 0.4216867 0.4216867 0.5000000), wk = 0.0019841 k( 371) = ( 0.4156627 0.4156627 0.5000000), wk = 0.0019841 k( 372) = ( 0.4096385 0.4096385 0.5000000), wk = 0.0019841 k( 373) = ( 0.4036145 0.4036145 0.5000000), wk = 0.0019841 k( 374) = ( 0.3975904 0.3975904 0.5000000), wk = 0.0019841 k( 375) = ( 0.3915663 0.3915663 0.5000000), wk = 0.0019841 k( 376) = ( 0.3855422 0.3855422 0.5000000), wk = 0.0019841 k( 377) = ( 0.3795181 0.3795181 0.5000000), wk = 0.0019841 k( 378) = ( 0.3734940 0.3734940 0.5000000), wk = 0.0019841 k( 379) = ( 0.3674699 0.3674699 0.5000000), wk = 0.0019841 k( 380) = ( 0.3614458 0.3614458 0.5000000), wk = 0.0019841 k( 381) = ( 0.3554217 0.3554217 0.5000000), wk = 0.0019841 k( 382) = ( 0.3493976 0.3493976 0.5000000), wk = 0.0019841 k( 383) = ( 0.3433735 0.3433735 0.5000000), wk = 0.0019841 k( 384) = ( 0.3373494 0.3373494 0.5000000), wk = 0.0019841 k( 385) = ( 0.3313253 0.3313253 0.5000000), wk = 0.0019841 k( 386) = ( 0.3253012 0.3253012 0.5000000), wk = 0.0019841 k( 387) = ( 0.3192771 0.3192771 0.5000000), wk = 0.0019841 k( 388) = ( 0.3132530 0.3132530 0.5000000), wk = 0.0019841 k( 389) = ( 0.3072289 0.3072289 0.5000000), wk = 0.0019841 k( 390) = ( 0.3012048 0.3012048 0.5000000), wk = 0.0019841 k( 391) = ( 0.2951807 0.2951807 0.5000000), wk = 0.0019841 k( 392) = ( 0.2891566 0.2891566 0.5000000), wk = 0.0019841 k( 393) = ( 0.2831325 0.2831325 0.5000000), wk = 0.0019841 k( 394) = ( 0.2771084 0.2771084 0.5000000), wk = 0.0019841 k( 395) = ( 0.2710843 0.2710843 0.5000000), wk = 0.0019841 k( 396) = ( 0.2650602 0.2650602 0.5000000), wk = 0.0019841 k( 397) = ( 0.2590361 0.2590361 0.5000000), wk = 0.0019841 k( 398) = ( 0.2530120 0.2530120 0.5000000), wk = 0.0019841 k( 399) = ( 0.2469880 0.2469880 0.5000000), wk = 0.0019841 k( 400) = ( 0.2409639 0.2409639 0.5000000), wk = 0.0019841 k( 401) = ( 0.2349398 0.2349398 0.5000000), wk = 0.0019841 k( 402) = ( 0.2289157 0.2289157 0.5000000), wk = 0.0019841 k( 403) = ( 0.2228916 0.2228916 0.5000000), wk = 0.0019841 k( 404) = ( 0.2168675 0.2168675 0.5000000), wk = 0.0019841 k( 405) = ( 0.2108434 0.2108434 0.5000000), wk = 0.0019841 k( 406) = ( 0.2048193 0.2048193 0.5000000), wk = 0.0019841 k( 407) = ( 0.1987952 0.1987952 0.5000000), wk = 0.0019841 k( 408) = ( 0.1927711 0.1927711 0.5000000), wk = 0.0019841 k( 409) = ( 0.1867470 0.1867470 0.5000000), wk = 0.0019841 k( 410) = ( 0.1807229 0.1807229 0.5000000), wk = 0.0019841 k( 411) = ( 0.1746988 0.1746988 0.5000000), wk = 0.0019841 k( 412) = ( 0.1686747 0.1686747 0.5000000), wk = 0.0019841 k( 413) = ( 0.1626506 0.1626506 0.5000000), wk = 0.0019841 k( 414) = ( 0.1566265 0.1566265 0.5000000), wk = 0.0019841 k( 415) = ( 0.1506024 0.1506024 0.5000000), wk = 0.0019841 k( 416) = ( 0.1445783 0.1445783 0.5000000), wk = 0.0019841 k( 417) = ( 0.1385542 0.1385542 0.5000000), wk = 0.0019841 k( 418) = ( 0.1325301 0.1325301 0.5000000), wk = 0.0019841 k( 419) = ( 0.1265060 0.1265060 0.5000000), wk = 0.0019841 k( 420) = ( 0.1204819 0.1204819 0.5000000), wk = 0.0019841 k( 421) = ( 0.1144578 0.1144578 0.5000000), wk = 0.0019841 k( 422) = ( 0.1084337 0.1084337 0.5000000), wk = 0.0019841 k( 423) = ( 0.1024096 0.1024096 0.5000000), wk = 0.0019841 k( 424) = ( 0.0963855 0.0963855 0.5000000), wk = 0.0019841 k( 425) = ( 0.0903614 0.0903614 0.5000000), wk = 0.0019841 k( 426) = ( 0.0843374 0.0843374 0.5000000), wk = 0.0019841 k( 427) = ( 0.0783133 0.0783133 0.5000000), wk = 0.0019841 k( 428) = ( 0.0722892 0.0722892 0.5000000), wk = 0.0019841 k( 429) = ( 0.0662651 0.0662651 0.5000000), wk = 0.0019841 k( 430) = ( 0.0602410 0.0602410 0.5000000), wk = 0.0019841 k( 431) = ( 0.0542169 0.0542169 0.5000000), wk = 0.0019841 k( 432) = ( 0.0481928 0.0481928 0.5000000), wk = 0.0019841 k( 433) = ( 0.0421687 0.0421687 0.5000000), wk = 0.0019841 k( 434) = ( 0.0361446 0.0361446 0.5000000), wk = 0.0019841 k( 435) = ( 0.0301205 0.0301205 0.5000000), wk = 0.0019841 k( 436) = ( 0.0240964 0.0240964 0.5000000), wk = 0.0019841 k( 437) = ( 0.0180723 0.0180723 0.5000000), wk = 0.0019841 k( 438) = ( 0.0120482 0.0120482 0.5000000), wk = 0.0019841 k( 439) = ( 0.0060241 0.0060241 0.5000000), wk = 0.0019841 k( 440) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0019841 k( 441) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0019841 k( 442) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0019841 k( 443) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0019841 k( 444) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0019841 k( 445) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0019841 k( 446) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0019841 k( 447) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0019841 k( 448) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0019841 k( 449) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0019841 k( 450) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0019841 k( 451) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0019841 k( 452) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0019841 k( 453) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0019841 k( 454) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0019841 k( 455) = ( 0.0000000 0.5000000 0.2258064), wk = 0.0019841 k( 456) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0019841 k( 457) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0019841 k( 458) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0019841 k( 459) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0019841 k( 460) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0019841 k( 461) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0019841 k( 462) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0019841 k( 463) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0019841 k( 464) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0019841 k( 465) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0019841 k( 466) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0019841 k( 467) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0019841 k( 468) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0019841 k( 469) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0019841 k( 470) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0019841 k( 471) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0019841 k( 472) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0019841 k( 473) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0019841 k( 474) = ( 0.5000000 0.5000000 0.0161290), wk = 0.0019841 k( 475) = ( 0.5000000 0.5000000 0.0322581), wk = 0.0019841 k( 476) = ( 0.5000000 0.5000000 0.0483871), wk = 0.0019841 k( 477) = ( 0.5000000 0.5000000 0.0645161), wk = 0.0019841 k( 478) = ( 0.5000000 0.5000000 0.0806452), wk = 0.0019841 k( 479) = ( 0.5000000 0.5000000 0.0967742), wk = 0.0019841 k( 480) = ( 0.5000000 0.5000000 0.1129032), wk = 0.0019841 k( 481) = ( 0.5000000 0.5000000 0.1290323), wk = 0.0019841 k( 482) = ( 0.5000000 0.5000000 0.1451613), wk = 0.0019841 k( 483) = ( 0.5000000 0.5000000 0.1612903), wk = 0.0019841 k( 484) = ( 0.5000000 0.5000000 0.1774194), wk = 0.0019841 k( 485) = ( 0.5000000 0.5000000 0.1935484), wk = 0.0019841 k( 486) = ( 0.5000000 0.5000000 0.2096774), wk = 0.0019841 k( 487) = ( 0.5000000 0.5000000 0.2258065), wk = 0.0019841 k( 488) = ( 0.5000000 0.5000000 0.2419355), wk = 0.0019841 k( 489) = ( 0.5000000 0.5000000 0.2580645), wk = 0.0019841 k( 490) = ( 0.5000000 0.5000000 0.2741936), wk = 0.0019841 k( 491) = ( 0.5000000 0.5000000 0.2903226), wk = 0.0019841 k( 492) = ( 0.5000000 0.5000000 0.3064516), wk = 0.0019841 k( 493) = ( 0.5000000 0.5000000 0.3225807), wk = 0.0019841 k( 494) = ( 0.5000000 0.5000000 0.3387097), wk = 0.0019841 k( 495) = ( 0.5000000 0.5000000 0.3548387), wk = 0.0019841 k( 496) = ( 0.5000000 0.5000000 0.3709677), wk = 0.0019841 k( 497) = ( 0.5000000 0.5000000 0.3870968), wk = 0.0019841 k( 498) = ( 0.5000000 0.5000000 0.4032258), wk = 0.0019841 k( 499) = ( 0.5000000 0.5000000 0.4193548), wk = 0.0019841 k( 500) = ( 0.5000000 0.5000000 0.4354839), wk = 0.0019841 k( 501) = ( 0.5000000 0.5000000 0.4516129), wk = 0.0019841 k( 502) = ( 0.5000000 0.5000000 0.4677419), wk = 0.0019841 k( 503) = ( 0.5000000 0.5000000 0.4838710), wk = 0.0019841 k( 504) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0019841 Dense grid: 15415 G-vectors FFT dimensions: ( 25, 25, 48) Smooth grid: 10453 G-vectors FFT dimensions: ( 24, 24, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 90, 24) NL pseudopotentials 0.07 Mb ( 45, 102) Each V/rho on FFT grid 0.02 Mb ( 1250) Each G-vector array 0.00 Mb ( 427) G-vector shells 0.00 Mb ( 211) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.13 Mb ( 90, 96) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.07 Mb ( 102, 2, 24) The potential is recalculated from file : ./FeSi2.save/charge-density.dat Starting wfc are 34 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.4 secs Computing kpt #: 4 total cpu time spent up to now is 2.5 secs Computing kpt #: 5 total cpu time spent up to now is 2.7 secs Computing kpt #: 6 total cpu time spent up to now is 2.9 secs Computing kpt #: 7 total cpu time spent up to now is 3.0 secs Computing kpt #: 8 total cpu time spent up to now is 3.1 secs Computing kpt #: 9 total cpu time spent up to now is 3.2 secs Computing kpt #: 10 total cpu time spent up to now is 3.3 secs Computing kpt #: 11 total cpu time spent up to now is 3.4 secs Computing kpt #: 12 total cpu time spent up to now is 3.5 secs Computing kpt #: 13 total cpu time spent up to now is 3.6 secs Computing kpt #: 14 total cpu time spent up to now is 3.7 secs Computing kpt #: 15 total cpu time spent up to now is 3.8 secs Computing kpt #: 16 total cpu time spent up to now is 4.0 secs Computing kpt #: 17 total cpu time spent up to now is 4.1 secs Computing kpt #: 18 total cpu time spent up to now is 4.2 secs Computing kpt #: 19 total cpu time spent up to now is 4.3 secs Computing kpt #: 20 total cpu time spent up to now is 4.5 secs Computing kpt #: 21 total cpu time spent up to now is 4.6 secs Computing kpt #: 22 total cpu time spent up to now is 4.8 secs Computing kpt #: 23 total cpu time spent up to now is 4.9 secs Computing kpt #: 24 total cpu time spent up to now is 5.1 secs Computing kpt #: 25 total cpu time spent up to now is 5.2 secs Computing kpt #: 26 total cpu time spent up to now is 5.4 secs Computing kpt #: 27 total cpu time spent up to now is 5.5 secs Computing kpt #: 28 total cpu time spent up to now is 5.6 secs Computing kpt #: 29 total cpu time spent up to now is 5.7 secs Computing kpt #: 30 total cpu time spent up to now is 5.9 secs Computing kpt #: 31 total cpu time spent up to now is 6.0 secs Computing kpt #: 32 total cpu time spent up to now is 6.1 secs Computing kpt #: 33 total cpu time spent up to now is 6.2 secs Computing kpt #: 34 total cpu time spent up to now is 6.3 secs Computing kpt #: 35 total cpu time spent up to now is 6.4 secs Computing kpt #: 36 total cpu time spent up to now is 6.5 secs Computing kpt #: 37 total cpu time spent up to now is 6.6 secs Computing kpt #: 38 total cpu time spent up to now is 6.7 secs Computing kpt #: 39 total cpu time spent up to now is 6.8 secs Computing kpt #: 40 total cpu time spent up to now is 6.9 secs Computing kpt #: 41 total cpu time spent up to now is 7.0 secs Computing kpt #: 42 total cpu time spent up to now is 7.2 secs Computing kpt #: 43 total cpu time spent up to now is 7.3 secs Computing kpt #: 44 total cpu time spent up to now is 7.4 secs Computing kpt #: 45 total cpu time spent up to now is 7.5 secs Computing kpt #: 46 total cpu time spent up to now is 7.6 secs Computing kpt #: 47 total cpu time spent up to now is 7.8 secs Computing kpt #: 48 total cpu time spent up to now is 8.0 secs Computing kpt #: 49 total cpu time spent up to now is 8.1 secs Computing kpt #: 50 total cpu time spent up to now is 8.3 secs Computing kpt #: 51 total cpu time spent up to now is 8.4 secs Computing kpt #: 52 total cpu time spent up to now is 8.6 secs Computing kpt #: 53 total cpu time spent up to now is 8.7 secs Computing kpt #: 54 total cpu time spent up to now is 8.8 secs Computing kpt #: 55 total cpu time spent up to now is 9.0 secs Computing kpt #: 56 total cpu time spent up to now is 9.1 secs Computing kpt #: 57 total cpu time spent up to now is 9.3 secs Computing kpt #: 58 total cpu time spent up to now is 9.4 secs Computing kpt #: 59 total cpu time spent up to now is 9.5 secs Computing kpt #: 60 total cpu time spent up to now is 9.7 secs Computing kpt #: 61 total cpu time spent up to now is 9.8 secs Computing kpt #: 62 total cpu time spent up to now is 9.9 secs Computing kpt #: 63 total cpu time spent up to now is 10.0 secs Computing kpt #: 64 total cpu time spent up to now is 10.1 secs Computing kpt #: 65 total cpu time spent up to now is 10.2 secs Computing kpt #: 66 total cpu time spent up to now is 10.3 secs Computing kpt #: 67 total cpu time spent up to now is 10.4 secs Computing kpt #: 68 total cpu time spent up to now is 10.5 secs Computing kpt #: 69 total cpu time spent up to now is 10.6 secs Computing kpt #: 70 total cpu time spent up to now is 10.7 secs Computing kpt #: 71 total cpu time spent up to now is 10.8 secs Computing kpt #: 72 total cpu time spent up to now is 10.9 secs Computing kpt #: 73 total cpu time spent up to now is 11.0 secs Computing kpt #: 74 total cpu time spent up to now is 11.1 secs Computing kpt #: 75 total cpu time spent up to now is 11.2 secs Computing kpt #: 76 total cpu time spent up to now is 11.3 secs Computing kpt #: 77 total cpu time spent up to now is 11.4 secs Computing kpt #: 78 total cpu time spent up to now is 11.5 secs Computing kpt #: 79 total cpu time spent up to now is 11.6 secs Computing kpt #: 80 total cpu time spent up to now is 11.7 secs Computing kpt #: 81 total cpu time spent up to now is 11.8 secs Computing kpt #: 82 total cpu time spent up to now is 11.9 secs Computing kpt #: 83 total cpu time spent up to now is 12.0 secs Computing kpt #: 84 total cpu time spent up to now is 12.1 secs Computing kpt #: 85 total cpu time spent up to now is 12.2 secs Computing kpt #: 86 total cpu time spent up to now is 12.3 secs Computing kpt #: 87 total cpu time spent up to now is 12.4 secs Computing kpt #: 88 total cpu time spent up to now is 12.5 secs Computing kpt #: 89 total cpu time spent up to now is 12.6 secs Computing kpt #: 90 total cpu time spent up to now is 12.7 secs Computing kpt #: 91 total cpu time spent up to now is 12.8 secs Computing kpt #: 92 total cpu time spent up to now is 12.9 secs Computing kpt #: 93 total cpu time spent up to now is 13.0 secs Computing kpt #: 94 total cpu time spent up to now is 13.1 secs Computing kpt #: 95 total cpu time spent up to now is 13.2 secs Computing kpt #: 96 total cpu time spent up to now is 13.3 secs Computing kpt #: 97 total cpu time spent up to now is 13.4 secs Computing kpt #: 98 total cpu time spent up to now is 13.5 secs Computing kpt #: 99 total cpu time spent up to now is 13.7 secs Computing kpt #: 100 total cpu time spent up to now is 13.8 secs Computing kpt #: 101 total cpu time spent up to now is 13.9 secs Computing kpt #: 102 total cpu time spent up to now is 14.0 secs Computing kpt #: 103 total cpu time spent up to now is 14.1 secs Computing kpt #: 104 total cpu time spent up to now is 14.3 secs Computing kpt #: 105 total cpu time spent up to now is 14.4 secs Computing kpt #: 106 total cpu time spent up to now is 14.5 secs Computing kpt #: 107 total cpu time spent up to now is 14.6 secs Computing kpt #: 108 total cpu time spent up to now is 14.8 secs Computing kpt #: 109 total cpu time spent up to now is 14.9 secs Computing kpt #: 110 total cpu time spent up to now is 15.0 secs Computing kpt #: 111 total cpu time spent up to now is 15.1 secs Computing kpt #: 112 total cpu time spent up to now is 15.2 secs Computing kpt #: 113 total cpu time spent up to now is 15.3 secs Computing kpt #: 114 total cpu time spent up to now is 15.5 secs Computing kpt #: 115 total cpu time spent up to now is 15.6 secs Computing kpt #: 116 total cpu time spent up to now is 15.7 secs Computing kpt #: 117 total cpu time spent up to now is 15.8 secs Computing kpt #: 118 total cpu time spent up to now is 16.0 secs Computing kpt #: 119 total cpu time spent up to now is 16.2 secs Computing kpt #: 120 total cpu time spent up to now is 16.3 secs Computing kpt #: 121 total cpu time spent up to now is 16.5 secs Computing kpt #: 122 total cpu time spent up to now is 16.7 secs Computing kpt #: 123 total cpu time spent up to now is 16.8 secs Computing kpt #: 124 total cpu time spent up to now is 16.9 secs Computing kpt #: 125 total cpu time spent up to now is 17.1 secs Computing kpt #: 126 total cpu time spent up to now is 17.2 secs Computing kpt #: 127 total cpu time spent up to now is 17.3 secs Computing kpt #: 128 total cpu time spent up to now is 17.4 secs Computing kpt #: 129 total cpu time spent up to now is 17.5 secs Computing kpt #: 130 total cpu time spent up to now is 17.6 secs Computing kpt #: 131 total cpu time spent up to now is 17.8 secs Computing kpt #: 132 total cpu time spent up to now is 17.9 secs Computing kpt #: 133 total cpu time spent up to now is 18.0 secs Computing kpt #: 134 total cpu time spent up to now is 18.1 secs Computing kpt #: 135 total cpu time spent up to now is 18.2 secs Computing kpt #: 136 total cpu time spent up to now is 18.3 secs Computing kpt #: 137 total cpu time spent up to now is 18.5 secs Computing kpt #: 138 total cpu time spent up to now is 18.6 secs Computing kpt #: 139 total cpu time spent up to now is 18.7 secs Computing kpt #: 140 total cpu time spent up to now is 18.8 secs Computing kpt #: 141 total cpu time spent up to now is 18.9 secs Computing kpt #: 142 total cpu time spent up to now is 19.0 secs Computing kpt #: 143 total cpu time spent up to now is 19.1 secs Computing kpt #: 144 total cpu time spent up to now is 19.2 secs Computing kpt #: 145 total cpu time spent up to now is 19.3 secs Computing kpt #: 146 total cpu time spent up to now is 19.4 secs Computing kpt #: 147 total cpu time spent up to now is 19.5 secs Computing kpt #: 148 total cpu time spent up to now is 19.6 secs Computing kpt #: 149 total cpu time spent up to now is 19.7 secs Computing kpt #: 150 total cpu time spent up to now is 19.8 secs Computing kpt #: 151 total cpu time spent up to now is 19.9 secs Computing kpt #: 152 total cpu time spent up to now is 20.0 secs Computing kpt #: 153 total cpu time spent up to now is 20.1 secs Computing kpt #: 154 total cpu time spent up to now is 20.2 secs Computing kpt #: 155 total cpu time spent up to now is 20.3 secs Computing kpt #: 156 total cpu time spent up to now is 20.4 secs Computing kpt #: 157 total cpu time spent up to now is 20.5 secs Computing kpt #: 158 total cpu time spent up to now is 20.6 secs Computing kpt #: 159 total cpu time spent up to now is 20.7 secs Computing kpt #: 160 total cpu time spent up to now is 20.8 secs Computing kpt #: 161 total cpu time spent up to now is 20.8 secs Computing kpt #: 162 total cpu time spent up to now is 20.9 secs Computing kpt #: 163 total cpu time spent up to now is 21.0 secs Computing kpt #: 164 total cpu time spent up to now is 21.1 secs Computing kpt #: 165 total cpu time spent up to now is 21.2 secs Computing kpt #: 166 total cpu time spent up to now is 21.3 secs Computing kpt #: 167 total cpu time spent up to now is 21.4 secs Computing kpt #: 168 total cpu time spent up to now is 21.5 secs Computing kpt #: 169 total cpu time spent up to now is 21.6 secs Computing kpt #: 170 total cpu time spent up to now is 21.7 secs Computing kpt #: 171 total cpu time spent up to now is 21.8 secs Computing kpt #: 172 total cpu time spent up to now is 21.9 secs Computing kpt #: 173 total cpu time spent up to now is 22.0 secs Computing kpt #: 174 total cpu time spent up to now is 22.1 secs Computing kpt #: 175 total cpu time spent up to now is 22.2 secs Computing kpt #: 176 total cpu time spent up to now is 22.3 secs Computing kpt #: 177 total cpu time spent up to now is 22.4 secs Computing kpt #: 178 total cpu time spent up to now is 22.5 secs Computing kpt #: 179 total cpu time spent up to now is 22.6 secs Computing kpt #: 180 total cpu time spent up to now is 22.7 secs Computing kpt #: 181 total cpu time spent up to now is 22.8 secs Computing kpt #: 182 total cpu time spent up to now is 23.0 secs Computing kpt #: 183 total cpu time spent up to now is 23.1 secs Computing kpt #: 184 total cpu time spent up to now is 23.2 secs Computing kpt #: 185 total cpu time spent up to now is 23.3 secs Computing kpt #: 186 total cpu time spent up to now is 23.4 secs Computing kpt #: 187 total cpu time spent up to now is 23.6 secs Computing kpt #: 188 total cpu time spent up to now is 23.7 secs Computing kpt #: 189 total cpu time spent up to now is 23.8 secs Computing kpt #: 190 total cpu time spent up to now is 23.9 secs Computing kpt #: 191 total cpu time spent up to now is 24.0 secs Computing kpt #: 192 total cpu time spent up to now is 24.1 secs Computing kpt #: 193 total cpu time spent up to now is 24.2 secs Computing kpt #: 194 total cpu time spent up to now is 24.3 secs Computing kpt #: 195 total cpu time spent up to now is 24.5 secs Computing kpt #: 196 total cpu time spent up to now is 24.6 secs Computing kpt #: 197 total cpu time spent up to now is 24.7 secs Computing kpt #: 198 total cpu time spent up to now is 24.8 secs Computing kpt #: 199 total cpu time spent up to now is 25.0 secs Computing kpt #: 200 total cpu time spent up to now is 25.2 secs Computing kpt #: 201 total cpu time spent up to now is 25.4 secs Computing kpt #: 202 total cpu time spent up to now is 25.5 secs Computing kpt #: 203 total cpu time spent up to now is 25.7 secs Computing kpt #: 204 total cpu time spent up to now is 25.9 secs Computing kpt #: 205 total cpu time spent up to now is 26.0 secs Computing kpt #: 206 total cpu time spent up to now is 26.2 secs Computing kpt #: 207 total cpu time spent up to now is 26.3 secs Computing kpt #: 208 total cpu time spent up to now is 26.5 secs Computing kpt #: 209 total cpu time spent up to now is 26.6 secs Computing kpt #: 210 total cpu time spent up to now is 26.7 secs Computing kpt #: 211 total cpu time spent up to now is 26.9 secs Computing kpt #: 212 total cpu time spent up to now is 27.0 secs Computing kpt #: 213 total cpu time spent up to now is 27.2 secs Computing kpt #: 214 total cpu time spent up to now is 27.3 secs Computing kpt #: 215 total cpu time spent up to now is 27.4 secs Computing kpt #: 216 total cpu time spent up to now is 27.6 secs Computing kpt #: 217 total cpu time spent up to now is 27.7 secs Computing kpt #: 218 total cpu time spent up to now is 27.9 secs Computing kpt #: 219 total cpu time spent up to now is 28.0 secs Computing kpt #: 220 total cpu time spent up to now is 28.1 secs Computing kpt #: 221 total cpu time spent up to now is 28.3 secs Computing kpt #: 222 total cpu time spent up to now is 28.4 secs Computing kpt #: 223 total cpu time spent up to now is 28.5 secs Computing kpt #: 224 total cpu time spent up to now is 28.7 secs Computing kpt #: 225 total cpu time spent up to now is 28.8 secs Computing kpt #: 226 total cpu time spent up to now is 29.0 secs Computing kpt #: 227 total cpu time spent up to now is 29.1 secs Computing kpt #: 228 total cpu time spent up to now is 29.2 secs Computing kpt #: 229 total cpu time spent up to now is 29.4 secs Computing kpt #: 230 total cpu time spent up to now is 29.5 secs Computing kpt #: 231 total cpu time spent up to now is 29.7 secs Computing kpt #: 232 total cpu time spent up to now is 29.8 secs Computing kpt #: 233 total cpu time spent up to now is 30.0 secs Computing kpt #: 234 total cpu time spent up to now is 30.1 secs Computing kpt #: 235 total cpu time spent up to now is 30.3 secs Computing kpt #: 236 total cpu time spent up to now is 30.4 secs Computing kpt #: 237 total cpu time spent up to now is 30.6 secs Computing kpt #: 238 total cpu time spent up to now is 30.7 secs Computing kpt #: 239 total cpu time spent up to now is 30.8 secs Computing kpt #: 240 total cpu time spent up to now is 31.0 secs Computing kpt #: 241 total cpu time spent up to now is 31.1 secs Computing kpt #: 242 total cpu time spent up to now is 31.2 secs Computing kpt #: 243 total cpu time spent up to now is 31.3 secs Computing kpt #: 244 total cpu time spent up to now is 31.4 secs Computing kpt #: 245 total cpu time spent up to now is 31.5 secs Computing kpt #: 246 total cpu time spent up to now is 31.6 secs Computing kpt #: 247 total cpu time spent up to now is 31.7 secs Computing kpt #: 248 total cpu time spent up to now is 31.8 secs Computing kpt #: 249 total cpu time spent up to now is 31.9 secs Computing kpt #: 250 total cpu time spent up to now is 32.0 secs Computing kpt #: 251 total cpu time spent up to now is 32.0 secs Computing kpt #: 252 total cpu time spent up to now is 32.1 secs Computing kpt #: 253 total cpu time spent up to now is 32.2 secs Computing kpt #: 254 total cpu time spent up to now is 32.3 secs Computing kpt #: 255 total cpu time spent up to now is 32.4 secs Computing kpt #: 256 total cpu time spent up to now is 32.5 secs Computing kpt #: 257 total cpu time spent up to now is 32.6 secs Computing kpt #: 258 total cpu time spent up to now is 32.7 secs Computing kpt #: 259 total cpu time spent up to now is 32.8 secs Computing kpt #: 260 total cpu time spent up to now is 32.9 secs Computing kpt #: 261 total cpu time spent up to now is 33.0 secs Computing kpt #: 262 total cpu time spent up to now is 33.1 secs Computing kpt #: 263 total cpu time spent up to now is 33.2 secs Computing kpt #: 264 total cpu time spent up to now is 33.3 secs Computing kpt #: 265 total cpu time spent up to now is 33.3 secs Computing kpt #: 266 total cpu time spent up to now is 33.4 secs Computing kpt #: 267 total cpu time spent up to now is 33.5 secs Computing kpt #: 268 total cpu time spent up to now is 33.6 secs Computing kpt #: 269 total cpu time spent up to now is 33.8 secs Computing kpt #: 270 total cpu time spent up to now is 33.9 secs Computing kpt #: 271 total cpu time spent up to now is 34.0 secs Computing kpt #: 272 total cpu time spent up to now is 34.1 secs Computing kpt #: 273 total cpu time spent up to now is 34.3 secs Computing kpt #: 274 total cpu time spent up to now is 34.4 secs Computing kpt #: 275 total cpu time spent up to now is 34.5 secs Computing kpt #: 276 total cpu time spent up to now is 34.7 secs Computing kpt #: 277 total cpu time spent up to now is 34.9 secs Computing kpt #: 278 total cpu time spent up to now is 35.1 secs Computing kpt #: 279 total cpu time spent up to now is 35.2 secs Computing kpt #: 280 total cpu time spent up to now is 35.4 secs Computing kpt #: 281 total cpu time spent up to now is 35.5 secs Computing kpt #: 282 total cpu time spent up to now is 35.6 secs Computing kpt #: 283 total cpu time spent up to now is 35.8 secs Computing kpt #: 284 total cpu time spent up to now is 35.9 secs Computing kpt #: 285 total cpu time spent up to now is 36.0 secs Computing kpt #: 286 total cpu time spent up to now is 36.1 secs Computing kpt #: 287 total cpu time spent up to now is 36.2 secs Computing kpt #: 288 total cpu time spent up to now is 36.3 secs Computing kpt #: 289 total cpu time spent up to now is 36.4 secs Computing kpt #: 290 total cpu time spent up to now is 36.5 secs Computing kpt #: 291 total cpu time spent up to now is 36.7 secs Computing kpt #: 292 total cpu time spent up to now is 36.8 secs Computing kpt #: 293 total cpu time spent up to now is 36.9 secs Computing kpt #: 294 total cpu time spent up to now is 37.0 secs Computing kpt #: 295 total cpu time spent up to now is 37.1 secs Computing kpt #: 296 total cpu time spent up to now is 37.2 secs Computing kpt #: 297 total cpu time spent up to now is 37.3 secs Computing kpt #: 298 total cpu time spent up to now is 37.5 secs Computing kpt #: 299 total cpu time spent up to now is 37.6 secs Computing kpt #: 300 total cpu time spent up to now is 37.7 secs Computing kpt #: 301 total cpu time spent up to now is 37.8 secs Computing kpt #: 302 total cpu time spent up to now is 38.0 secs Computing kpt #: 303 total cpu time spent up to now is 38.1 secs Computing kpt #: 304 total cpu time spent up to now is 38.2 secs Computing kpt #: 305 total cpu time spent up to now is 38.3 secs Computing kpt #: 306 total cpu time spent up to now is 38.4 secs Computing kpt #: 307 total cpu time spent up to now is 38.6 secs Computing kpt #: 308 total cpu time spent up to now is 38.7 secs Computing kpt #: 309 total cpu time spent up to now is 38.8 secs Computing kpt #: 310 total cpu time spent up to now is 39.0 secs Computing kpt #: 311 total cpu time spent up to now is 39.1 secs Computing kpt #: 312 total cpu time spent up to now is 39.3 secs Computing kpt #: 313 total cpu time spent up to now is 39.4 secs Computing kpt #: 314 total cpu time spent up to now is 39.5 secs Computing kpt #: 315 total cpu time spent up to now is 39.6 secs Computing kpt #: 316 total cpu time spent up to now is 39.7 secs Computing kpt #: 317 total cpu time spent up to now is 39.8 secs Computing kpt #: 318 total cpu time spent up to now is 39.9 secs Computing kpt #: 319 total cpu time spent up to now is 40.0 secs Computing kpt #: 320 total cpu time spent up to now is 40.1 secs Computing kpt #: 321 total cpu time spent up to now is 40.3 secs Computing kpt #: 322 total cpu time spent up to now is 40.4 secs Computing kpt #: 323 total cpu time spent up to now is 40.5 secs Computing kpt #: 324 total cpu time spent up to now is 40.6 secs Computing kpt #: 325 total cpu time spent up to now is 40.7 secs Computing kpt #: 326 total cpu time spent up to now is 40.9 secs Computing kpt #: 327 total cpu time spent up to now is 41.0 secs Computing kpt #: 328 total cpu time spent up to now is 41.1 secs Computing kpt #: 329 total cpu time spent up to now is 41.2 secs Computing kpt #: 330 total cpu time spent up to now is 41.3 secs Computing kpt #: 331 total cpu time spent up to now is 41.4 secs Computing kpt #: 332 total cpu time spent up to now is 41.5 secs Computing kpt #: 333 total cpu time spent up to now is 41.6 secs Computing kpt #: 334 total cpu time spent up to now is 41.7 secs Computing kpt #: 335 total cpu time spent up to now is 41.8 secs Computing kpt #: 336 total cpu time spent up to now is 42.0 secs Computing kpt #: 337 total cpu time spent up to now is 42.2 secs Computing kpt #: 338 total cpu time spent up to now is 42.3 secs Computing kpt #: 339 total cpu time spent up to now is 42.5 secs Computing kpt #: 340 total cpu time spent up to now is 42.6 secs Computing kpt #: 341 total cpu time spent up to now is 42.8 secs Computing kpt #: 342 total cpu time spent up to now is 42.9 secs Computing kpt #: 343 total cpu time spent up to now is 43.0 secs Computing kpt #: 344 total cpu time spent up to now is 43.1 secs Computing kpt #: 345 total cpu time spent up to now is 43.2 secs Computing kpt #: 346 total cpu time spent up to now is 43.4 secs Computing kpt #: 347 total cpu time spent up to now is 43.5 secs Computing kpt #: 348 total cpu time spent up to now is 43.6 secs Computing kpt #: 349 total cpu time spent up to now is 43.7 secs Computing kpt #: 350 total cpu time spent up to now is 43.8 secs Computing kpt #: 351 total cpu time spent up to now is 43.9 secs Computing kpt #: 352 total cpu time spent up to now is 44.0 secs Computing kpt #: 353 total cpu time spent up to now is 44.1 secs Computing kpt #: 354 total cpu time spent up to now is 44.2 secs Computing kpt #: 355 total cpu time spent up to now is 44.4 secs Computing kpt #: 356 total cpu time spent up to now is 44.5 secs Computing kpt #: 357 total cpu time spent up to now is 44.6 secs Computing kpt #: 358 total cpu time spent up to now is 44.7 secs Computing kpt #: 359 total cpu time spent up to now is 44.8 secs Computing kpt #: 360 total cpu time spent up to now is 44.9 secs Computing kpt #: 361 total cpu time spent up to now is 45.0 secs Computing kpt #: 362 total cpu time spent up to now is 45.2 secs Computing kpt #: 363 total cpu time spent up to now is 45.3 secs Computing kpt #: 364 total cpu time spent up to now is 45.4 secs Computing kpt #: 365 total cpu time spent up to now is 45.5 secs Computing kpt #: 366 total cpu time spent up to now is 45.6 secs Computing kpt #: 367 total cpu time spent up to now is 45.7 secs Computing kpt #: 368 total cpu time spent up to now is 45.8 secs Computing kpt #: 369 total cpu time spent up to now is 46.0 secs Computing kpt #: 370 total cpu time spent up to now is 46.1 secs Computing kpt #: 371 total cpu time spent up to now is 46.2 secs Computing kpt #: 372 total cpu time spent up to now is 46.3 secs Computing kpt #: 373 total cpu time spent up to now is 46.4 secs Computing kpt #: 374 total cpu time spent up to now is 46.6 secs Computing kpt #: 375 total cpu time spent up to now is 46.7 secs Computing kpt #: 376 total cpu time spent up to now is 46.8 secs Computing kpt #: 377 total cpu time spent up to now is 46.9 secs Computing kpt #: 378 total cpu time spent up to now is 47.1 secs Computing kpt #: 379 total cpu time spent up to now is 47.2 secs Computing kpt #: 380 total cpu time spent up to now is 47.3 secs Computing kpt #: 381 total cpu time spent up to now is 47.4 secs Computing kpt #: 382 total cpu time spent up to now is 47.5 secs Computing kpt #: 383 total cpu time spent up to now is 47.7 secs Computing kpt #: 384 total cpu time spent up to now is 47.8 secs Computing kpt #: 385 total cpu time spent up to now is 47.9 secs Computing kpt #: 386 total cpu time spent up to now is 48.0 secs Computing kpt #: 387 total cpu time spent up to now is 48.1 secs Computing kpt #: 388 total cpu time spent up to now is 48.2 secs Computing kpt #: 389 total cpu time spent up to now is 48.3 secs Computing kpt #: 390 total cpu time spent up to now is 48.4 secs Computing kpt #: 391 total cpu time spent up to now is 48.5 secs Computing kpt #: 392 total cpu time spent up to now is 48.6 secs Computing kpt #: 393 total cpu time spent up to now is 48.7 secs Computing kpt #: 394 total cpu time spent up to now is 48.8 secs Computing kpt #: 395 total cpu time spent up to now is 48.9 secs Computing kpt #: 396 total cpu time spent up to now is 49.0 secs Computing kpt #: 397 total cpu time spent up to now is 49.1 secs Computing kpt #: 398 total cpu time spent up to now is 49.2 secs Computing kpt #: 399 total cpu time spent up to now is 49.3 secs Computing kpt #: 400 total cpu time spent up to now is 49.4 secs Computing kpt #: 401 total cpu time spent up to now is 49.5 secs Computing kpt #: 402 total cpu time spent up to now is 49.6 secs Computing kpt #: 403 total cpu time spent up to now is 49.7 secs Computing kpt #: 404 total cpu time spent up to now is 49.8 secs Computing kpt #: 405 total cpu time spent up to now is 49.9 secs Computing kpt #: 406 total cpu time spent up to now is 50.0 secs Computing kpt #: 407 total cpu time spent up to now is 50.1 secs Computing kpt #: 408 total cpu time spent up to now is 50.2 secs Computing kpt #: 409 total cpu time spent up to now is 50.3 secs Computing kpt #: 410 total cpu time spent up to now is 50.4 secs Computing kpt #: 411 total cpu time spent up to now is 50.5 secs Computing kpt #: 412 total cpu time spent up to now is 50.6 secs Computing kpt #: 413 total cpu time spent up to now is 50.7 secs Computing kpt #: 414 total cpu time spent up to now is 50.8 secs Computing kpt #: 415 total cpu time spent up to now is 50.9 secs Computing kpt #: 416 total cpu time spent up to now is 51.0 secs Computing kpt #: 417 total cpu time spent up to now is 51.1 secs Computing kpt #: 418 total cpu time spent up to now is 51.2 secs Computing kpt #: 419 total cpu time spent up to now is 51.3 secs Computing kpt #: 420 total cpu time spent up to now is 51.4 secs Computing kpt #: 421 total cpu time spent up to now is 51.5 secs Computing kpt #: 422 total cpu time spent up to now is 51.6 secs Computing kpt #: 423 total cpu time spent up to now is 51.7 secs Computing kpt #: 424 total cpu time spent up to now is 51.8 secs Computing kpt #: 425 total cpu time spent up to now is 51.9 secs Computing kpt #: 426 total cpu time spent up to now is 52.0 secs Computing kpt #: 427 total cpu time spent up to now is 52.1 secs Computing kpt #: 428 total cpu time spent up to now is 52.2 secs Computing kpt #: 429 total cpu time spent up to now is 52.3 secs Computing kpt #: 430 total cpu time spent up to now is 52.5 secs Computing kpt #: 431 total cpu time spent up to now is 52.6 secs Computing kpt #: 432 total cpu time spent up to now is 52.7 secs Computing kpt #: 433 total cpu time spent up to now is 52.8 secs Computing kpt #: 434 total cpu time spent up to now is 52.9 secs Computing kpt #: 435 total cpu time spent up to now is 53.1 secs Computing kpt #: 436 total cpu time spent up to now is 53.2 secs Computing kpt #: 437 total cpu time spent up to now is 53.3 secs Computing kpt #: 438 total cpu time spent up to now is 53.5 secs Computing kpt #: 439 total cpu time spent up to now is 53.6 secs Computing kpt #: 440 total cpu time spent up to now is 53.8 secs Computing kpt #: 441 total cpu time spent up to now is 53.9 secs Computing kpt #: 442 total cpu time spent up to now is 54.0 secs Computing kpt #: 443 total cpu time spent up to now is 54.2 secs Computing kpt #: 444 total cpu time spent up to now is 54.3 secs Computing kpt #: 445 total cpu time spent up to now is 54.5 secs Computing kpt #: 446 total cpu time spent up to now is 54.6 secs Computing kpt #: 447 total cpu time spent up to now is 54.7 secs Computing kpt #: 448 total cpu time spent up to now is 54.9 secs Computing kpt #: 449 total cpu time spent up to now is 55.0 secs Computing kpt #: 450 total cpu time spent up to now is 55.1 secs Computing kpt #: 451 total cpu time spent up to now is 55.2 secs Computing kpt #: 452 total cpu time spent up to now is 55.3 secs Computing kpt #: 453 total cpu time spent up to now is 55.4 secs Computing kpt #: 454 total cpu time spent up to now is 55.5 secs Computing kpt #: 455 total cpu time spent up to now is 55.6 secs Computing kpt #: 456 total cpu time spent up to now is 55.7 secs Computing kpt #: 457 total cpu time spent up to now is 55.8 secs Computing kpt #: 458 total cpu time spent up to now is 55.9 secs Computing kpt #: 459 total cpu time spent up to now is 56.0 secs Computing kpt #: 460 total cpu time spent up to now is 56.1 secs Computing kpt #: 461 total cpu time spent up to now is 56.2 secs Computing kpt #: 462 total cpu time spent up to now is 56.3 secs Computing kpt #: 463 total cpu time spent up to now is 56.4 secs Computing kpt #: 464 total cpu time spent up to now is 56.5 secs Computing kpt #: 465 total cpu time spent up to now is 56.6 secs Computing kpt #: 466 total cpu time spent up to now is 56.7 secs Computing kpt #: 467 total cpu time spent up to now is 56.8 secs Computing kpt #: 468 total cpu time spent up to now is 56.9 secs Computing kpt #: 469 total cpu time spent up to now is 57.0 secs Computing kpt #: 470 total cpu time spent up to now is 57.1 secs Computing kpt #: 471 total cpu time spent up to now is 57.3 secs Computing kpt #: 472 total cpu time spent up to now is 57.4 secs Computing kpt #: 473 total cpu time spent up to now is 57.5 secs Computing kpt #: 474 total cpu time spent up to now is 57.7 secs Computing kpt #: 475 total cpu time spent up to now is 57.8 secs Computing kpt #: 476 total cpu time spent up to now is 57.9 secs Computing kpt #: 477 total cpu time spent up to now is 58.0 secs Computing kpt #: 478 total cpu time spent up to now is 58.1 secs Computing kpt #: 479 total cpu time spent up to now is 58.3 secs Computing kpt #: 480 total cpu time spent up to now is 58.4 secs Computing kpt #: 481 total cpu time spent up to now is 58.5 secs Computing kpt #: 482 total cpu time spent up to now is 58.6 secs Computing kpt #: 483 total cpu time spent up to now is 58.7 secs Computing kpt #: 484 total cpu time spent up to now is 58.9 secs Computing kpt #: 485 total cpu time spent up to now is 59.0 secs Computing kpt #: 486 total cpu time spent up to now is 59.1 secs Computing kpt #: 487 total cpu time spent up to now is 59.2 secs Computing kpt #: 488 total cpu time spent up to now is 59.3 secs Computing kpt #: 489 total cpu time spent up to now is 59.4 secs Computing kpt #: 490 total cpu time spent up to now is 59.6 secs Computing kpt #: 491 total cpu time spent up to now is 59.7 secs Computing kpt #: 492 total cpu time spent up to now is 59.8 secs Computing kpt #: 493 total cpu time spent up to now is 59.9 secs Computing kpt #: 494 total cpu time spent up to now is 60.0 secs Computing kpt #: 495 total cpu time spent up to now is 60.2 secs Computing kpt #: 496 total cpu time spent up to now is 60.3 secs Computing kpt #: 497 total cpu time spent up to now is 60.4 secs Computing kpt #: 498 total cpu time spent up to now is 60.5 secs Computing kpt #: 499 total cpu time spent up to now is 60.6 secs Computing kpt #: 500 total cpu time spent up to now is 60.7 secs Computing kpt #: 501 total cpu time spent up to now is 60.9 secs Computing kpt #: 502 total cpu time spent up to now is 61.0 secs Computing kpt #: 503 total cpu time spent up to now is 61.1 secs Computing kpt #: 504 total cpu time spent up to now is 61.2 secs ethr = 6.25E-08, avg # of iterations = 17.5 total cpu time spent up to now is 61.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1317 PWs) bands (ev): -1.5006 -1.5006 3.5592 3.5592 4.8264 4.8264 8.6179 8.6179 10.8542 10.8542 10.9170 10.9170 11.2864 11.2864 11.6232 11.6232 16.9594 16.9594 17.0393 17.0393 19.5243 19.5243 20.3239 20.3239 k = 0.0000 0.0085-0.0000 ( 1317 PWs) bands (ev): -1.4991 -1.4991 3.5602 3.5602 4.8278 4.8278 8.6178 8.6178 10.8538 10.8538 10.9166 10.9166 11.2863 11.2863 11.6214 11.6214 16.9515 16.9515 17.0333 17.0333 19.5258 19.5258 20.3339 20.3339 k = 0.0000 0.0169-0.0000 ( 1317 PWs) bands (ev): -1.4947 -1.4947 3.5631 3.5631 4.8319 4.8319 8.6175 8.6175 10.8523 10.8523 10.9153 10.9153 11.2861 11.2861 11.6164 11.6164 16.9179 16.9179 17.0264 17.0264 19.5303 19.5303 20.3619 20.3619 k = 0.0000 0.0254-0.0000 ( 1317 PWs) bands (ev): -1.4873 -1.4873 3.5679 3.5679 4.8387 4.8387 8.6172 8.6172 10.8494 10.8494 10.9134 10.9134 11.2859 11.2859 11.6082 11.6082 16.8488 16.8488 17.0309 17.0309 19.5377 19.5377 20.4014 20.4014 k = 0.0000 0.0339-0.0000 ( 1317 PWs) bands (ev): -1.4769 -1.4769 3.5747 3.5747 4.8483 4.8483 8.6166 8.6166 10.8446 10.8446 10.9115 10.9115 11.2854 11.2854 11.5968 11.5968 16.7499 16.7499 17.0450 17.0450 19.5476 19.5476 20.4435 20.4435 k = 0.0000 0.0424-0.0000 ( 1317 PWs) bands (ev): -1.4637 -1.4637 3.5835 3.5835 4.8607 4.8607 8.6156 8.6156 10.8374 10.8374 10.9101 10.9101 11.2850 11.2850 11.5822 11.5822 16.6281 16.6281 17.0659 17.0659 19.5596 19.5596 20.3934 20.3934 k = 0.0000 0.0508-0.0000 ( 1315 PWs) bands (ev): -1.4474 -1.4474 3.5941 3.5941 4.8758 4.8758 8.6144 8.6144 10.8276 10.8276 10.9096 10.9096 11.2841 11.2841 11.5646 11.5646 16.4886 16.4886 17.0925 17.0925 19.5725 19.5725 20.2770 20.2770 k = 0.0000 0.0593-0.0000 ( 1315 PWs) bands (ev): -1.4283 -1.4283 3.6067 3.6067 4.8936 4.8936 8.6127 8.6127 10.8147 10.8147 10.9103 10.9103 11.2829 11.2829 11.5441 11.5441 16.3356 16.3356 17.1242 17.1242 19.5842 19.5842 20.1549 20.1549 k = 0.0000 0.0678-0.0000 ( 1313 PWs) bands (ev): -1.4062 -1.4062 3.6212 3.6212 4.9141 4.9141 8.6105 8.6105 10.7990 10.7990 10.9121 10.9121 11.2814 11.2814 11.5209 11.5209 16.1726 16.1726 17.1607 17.1607 19.5894 19.5894 20.0347 20.0347 k = 0.0000 0.0763-0.0000 ( 1313 PWs) bands (ev): -1.3812 -1.3812 3.6375 3.6375 4.9373 4.9373 8.6075 8.6075 10.7805 10.7805 10.9148 10.9148 11.2794 11.2794 11.4951 11.4951 16.0022 16.0022 17.2018 17.2018 19.5754 19.5754 19.9309 19.9309 k = 0.0000 0.0847-0.0000 ( 1309 PWs) bands (ev): -1.3532 -1.3532 3.6557 3.6557 4.9632 4.9632 8.6037 8.6037 10.7594 10.7594 10.9185 10.9185 11.2770 11.2770 11.4670 11.4670 15.8269 15.8269 17.2473 17.2473 19.5201 19.5201 19.8669 19.8669 k = 0.0000 0.0932-0.0000 ( 1309 PWs) bands (ev): -1.3224 -1.3224 3.6758 3.6758 4.9918 4.9918 8.5988 8.5988 10.7359 10.7359 10.9229 10.9229 11.2738 11.2738 11.4365 11.4365 15.6485 15.6485 17.2970 17.2970 19.4165 19.4165 19.8508 19.8508 k = 0.0000 0.1017-0.0000 ( 1309 PWs) bands (ev): -1.2886 -1.2886 3.6978 3.6978 5.0230 5.0230 8.5926 8.5926 10.7102 10.7102 10.9280 10.9280 11.2698 11.2698 11.4040 11.4040 15.4688 15.4688 17.3508 17.3508 19.2829 19.2829 19.8651 19.8651 k = 0.0000 0.1102-0.0000 ( 1303 PWs) bands (ev): -1.2520 -1.2520 3.7215 3.7215 5.0570 5.0570 8.5850 8.5850 10.6824 10.6824 10.9337 10.9337 11.2649 11.2649 11.3697 11.3697 15.2891 15.2891 17.4084 17.4084 19.1349 19.1349 19.8948 19.8948 k = 0.0000 0.1186-0.0000 ( 1303 PWs) bands (ev): -1.2125 -1.2125 3.7471 3.7471 5.0935 5.0935 8.5755 8.5755 10.6525 10.6525 10.9398 10.9398 11.2589 11.2589 11.3336 11.3336 15.1106 15.1106 17.4697 17.4697 18.9796 18.9796 19.9334 19.9334 k = 0.0000 0.1271-0.0000 ( 1303 PWs) bands (ev): -1.1701 -1.1701 3.7744 3.7744 5.1327 5.1327 8.5639 8.5639 10.6208 10.6208 10.9463 10.9463 11.2515 11.2515 11.2960 11.2960 14.9344 14.9344 17.5345 17.5345 18.8202 18.8202 19.9780 19.9780 k = 0.0000 0.1356-0.0000 ( 1303 PWs) bands (ev): -1.1249 -1.1249 3.8034 3.8034 5.1744 5.1744 8.5500 8.5500 10.5873 10.5873 10.9531 10.9531 11.2425 11.2425 11.2575 11.2575 14.7617 14.7617 17.6027 17.6027 18.6586 18.6586 20.0274 20.0274 k = 0.0000 0.1441-0.0000 ( 1311 PWs) bands (ev): -1.0769 -1.0769 3.8342 3.8342 5.2188 5.2188 8.5332 8.5332 10.5520 10.5520 10.9601 10.9601 11.2163 11.2163 11.2333 11.2333 14.5932 14.5932 17.6741 17.6741 18.4958 18.4958 20.0806 20.0806 k = 0.0000 0.1525-0.0000 ( 1311 PWs) bands (ev): -1.0260 -1.0260 3.8666 3.8666 5.2657 5.2657 8.5134 8.5134 10.5152 10.5152 10.9671 10.9671 11.1760 11.1760 11.2209 11.2209 14.4299 14.4299 17.7486 17.7486 18.3324 18.3324 20.1006 20.1006 k = 0.0000 0.1610-0.0000 ( 1311 PWs) bands (ev): -0.9723 -0.9723 3.9007 3.9007 5.3151 5.3151 8.4902 8.4902 10.4770 10.4770 10.9737 10.9737 11.1351 11.1351 11.2069 11.2069 14.2727 14.2727 17.8260 17.8260 18.1691 18.1691 19.9827 19.9827 k = 0.0000 0.1695-0.0000 ( 1311 PWs) bands (ev): -0.9159 -0.9159 3.9364 3.9364 5.3670 5.3670 8.4629 8.4629 10.4373 10.4373 10.9792 10.9792 11.0946 11.0946 11.1910 11.1910 14.1222 14.1222 17.9057 17.9057 18.0066 18.0066 19.8472 19.8472 k = 0.0000 0.1780-0.0000 ( 1311 PWs) bands (ev): -0.8567 -0.8567 3.9737 3.9737 5.4214 5.4214 8.4312 8.4312 10.3964 10.3964 10.9809 10.9809 11.0573 11.0573 11.1731 11.1731 13.9793 13.9793 17.8434 17.8434 17.9896 17.9896 19.6969 19.6969 k = 0.0000 0.1864-0.0000 ( 1311 PWs) bands (ev): -0.7948 -0.7948 4.0124 4.0124 5.4782 5.4782 8.3947 8.3947 10.3543 10.3543 10.9706 10.9706 11.0310 11.0310 11.1536 11.1536 13.8445 13.8445 17.6827 17.6827 18.0747 18.0747 19.5349 19.5349 k = 0.0000 0.1949-0.0000 ( 1313 PWs) bands (ev): -0.7301 -0.7301 4.0527 4.0527 5.5375 5.5375 8.3529 8.3529 10.3109 10.3109 10.9410 10.9410 11.0224 11.0224 11.1331 11.1331 13.7183 13.7183 17.5231 17.5231 18.1624 18.1624 19.3641 19.3641 k = 0.0000 0.2034-0.0000 ( 1309 PWs) bands (ev): -0.6628 -0.6628 4.0943 4.0943 5.5991 5.5991 8.3055 8.3055 10.2667 10.2667 10.9019 10.9019 11.0204 11.0204 11.1132 11.1132 13.6012 13.6012 17.3651 17.3651 18.2525 18.2525 19.1873 19.1873 k = 0.0000 0.2119-0.0000 ( 1313 PWs) bands (ev): -0.5928 -0.5928 4.1373 4.1373 5.6630 5.6630 8.2519 8.2519 10.2214 10.2214 10.8598 10.8598 11.0147 11.0147 11.0973 11.0973 13.4935 13.4935 17.2090 17.2090 18.3448 18.3448 19.0067 19.0067 k = 0.0000 0.2203-0.0000 ( 1313 PWs) bands (ev): -0.5201 -0.5201 4.1816 4.1816 5.7292 5.7292 8.1919 8.1919 10.1754 10.1754 10.8169 10.8169 10.9997 10.9997 11.0897 11.0897 13.3953 13.3953 17.0550 17.0550 18.4391 18.4391 18.8241 18.8241 k = 0.0000 0.2288-0.0000 ( 1317 PWs) bands (ev): -0.4449 -0.4449 4.2271 4.2271 5.7976 5.7976 8.1253 8.1253 10.1285 10.1285 10.7737 10.7737 10.9751 10.9751 11.0901 11.0901 13.3066 13.3066 16.9033 16.9033 18.5351 18.5351 18.6412 18.6412 k = 0.0000 0.2373-0.0000 ( 1317 PWs) bands (ev): -0.3671 -0.3671 4.2738 4.2738 5.8681 5.8681 8.0518 8.0518 10.0810 10.0810 10.7306 10.7306 10.9443 10.9443 11.0954 11.0954 13.2272 13.2272 16.7541 16.7541 18.4576 18.4576 18.6343 18.6343 k = 0.0000 0.2458-0.0000 ( 1323 PWs) bands (ev): -0.2868 -0.2868 4.3216 4.3216 5.9407 5.9407 7.9714 7.9714 10.0328 10.0328 10.6876 10.6876 10.9096 10.9096 11.1030 11.1030 13.1567 13.1567 16.6076 16.6076 18.2764 18.2764 18.7342 18.7342 k = 0.0000 0.2542-0.0000 ( 1321 PWs) bands (ev): -0.2040 -0.2040 4.3703 4.3703 6.0153 6.0153 7.8842 7.8842 9.9841 9.9841 10.6454 10.6454 10.8726 10.8726 11.1120 11.1120 13.0947 13.0947 16.4640 16.4640 18.0973 18.0973 18.8361 18.8361 k = 0.0000 0.2627-0.0000 ( 1319 PWs) bands (ev): -0.1187 -0.1187 4.4200 4.4200 6.0917 6.0917 7.7903 7.7903 9.9350 9.9350 10.6038 10.6038 10.8340 10.8340 11.1216 11.1216 13.0407 13.0407 16.3234 16.3234 17.9209 17.9209 18.9396 18.9396 k = 0.0000 0.2712-0.0000 ( 1319 PWs) bands (ev): -0.0310 -0.0310 4.4705 4.4705 6.1699 6.1699 7.6900 7.6900 9.8856 9.8856 10.5629 10.5629 10.7941 10.7941 11.1317 11.1317 12.9940 12.9940 16.1860 16.1860 17.7478 17.7478 19.0448 19.0448 k = 0.0000 0.2797-0.0000 ( 1319 PWs) bands (ev): 0.0590 0.0590 4.5217 4.5217 6.2495 6.2495 7.5837 7.5837 9.8359 9.8359 10.5228 10.5228 10.7535 10.7535 11.1420 11.1420 12.9540 12.9540 16.0520 16.0520 17.5786 17.5786 19.1515 19.1515 k = 0.0000 0.2881-0.0000 ( 1329 PWs) bands (ev): 0.1513 0.1513 4.5734 4.5734 6.3302 6.3302 7.4722 7.4722 9.7859 9.7859 10.4834 10.4834 10.7120 10.7120 11.1523 11.1523 12.9201 12.9201 15.9216 15.9216 17.4136 17.4136 19.2596 19.2596 k = 0.0000 0.2966-0.0000 ( 1325 PWs) bands (ev): 0.2459 0.2459 4.6257 4.6257 6.4114 6.4114 7.3566 7.3566 9.7359 9.7359 10.4452 10.4452 10.6700 10.6700 11.1628 11.1628 12.8916 12.8916 15.7949 15.7949 17.2532 17.2532 19.3691 19.3691 k = 0.0000 0.3051-0.0000 ( 1329 PWs) bands (ev): 0.3425 0.3425 4.6783 4.6783 6.4918 6.4918 7.2384 7.2384 9.6860 9.6860 10.4081 10.4081 10.6273 10.6273 11.1732 11.1732 12.8678 12.8678 15.6719 15.6719 17.0978 17.0978 19.4799 19.4799 k = 0.0000 0.3136-0.0000 ( 1325 PWs) bands (ev): 0.4413 0.4413 4.7312 4.7312 6.5684 6.5684 7.1212 7.1212 9.6361 9.6361 10.3722 10.3722 10.5838 10.5838 11.1835 11.1835 12.8483 12.8483 15.5531 15.5531 16.9477 16.9477 19.5918 19.5918 k = 0.0000 0.3220-0.0000 ( 1321 PWs) bands (ev): 0.5421 0.5421 4.7841 4.7841 6.6318 6.6318 7.0149 7.0149 9.5866 9.5866 10.3374 10.3374 10.5395 10.5395 11.1937 11.1937 12.8324 12.8324 15.4384 15.4384 16.8032 16.8032 19.7049 19.7049 k = 0.0000 0.3305-0.0000 ( 1321 PWs) bands (ev): 0.6447 0.6447 4.8369 4.8369 6.6525 6.6525 6.9493 6.9493 9.5374 9.5374 10.3037 10.3037 10.4939 10.4939 11.2037 11.2037 12.8198 12.8198 15.3281 15.3281 16.6645 16.6645 19.8189 19.8189 k = 0.0000 0.3390-0.0000 ( 1325 PWs) bands (ev): 0.7491 0.7491 4.8894 4.8894 6.5932 6.5932 6.9623 6.9623 9.4886 9.4886 10.2712 10.2712 10.4471 10.4471 11.2133 11.2133 12.8099 12.8099 15.2221 15.2221 16.5319 16.5319 19.9337 19.9337 k = 0.0000 0.3475-0.0000 ( 1321 PWs) bands (ev): 0.8551 0.8551 4.9415 4.9415 6.4820 6.4820 7.0263 7.0263 9.4405 9.4405 10.2399 10.2399 10.3988 10.3988 11.2228 11.2228 12.8023 12.8023 15.1208 15.1208 16.4056 16.4056 20.0493 20.0493 k = 0.0000 0.3559-0.0000 ( 1325 PWs) bands (ev): 0.9626 0.9626 4.9929 4.9929 6.3521 6.3521 7.1086 7.1086 9.3931 9.3931 10.2098 10.2098 10.3488 10.3488 11.2320 11.2320 12.7968 12.7968 15.0241 15.0241 16.2859 16.2859 20.1654 20.1654 k = 0.0000 0.3644-0.0000 ( 1321 PWs) bands (ev): 1.0714 1.0714 5.0435 5.0435 6.2148 6.2148 7.1981 7.1981 9.3467 9.3467 10.1806 10.1806 10.2973 10.2973 11.2408 11.2408 12.7930 12.7930 14.9323 14.9323 16.1728 16.1728 20.2818 20.2818 k = 0.0000 0.3729-0.0000 ( 1313 PWs) bands (ev): 1.1812 1.1812 5.0931 5.0931 6.0743 6.0743 7.2913 7.2913 9.3014 9.3014 10.1519 10.1519 10.2446 10.2446 11.2492 11.2492 12.7908 12.7908 14.8455 14.8455 16.0665 16.0665 20.3984 20.3984 k = 0.0000 0.3814-0.0000 ( 1313 PWs) bands (ev): 1.2918 1.2918 5.1413 5.1413 5.9324 5.9324 7.3866 7.3866 9.2574 9.2574 10.1220 10.1220 10.1922 10.1922 11.2573 11.2573 12.7896 12.7896 14.7637 14.7637 15.9672 15.9672 20.5148 20.5148 k = 0.0000 0.3898-0.0000 ( 1311 PWs) bands (ev): 1.4029 1.4029 5.1878 5.1878 5.7904 5.7904 7.4832 7.4832 9.2149 9.2149 10.0866 10.0866 10.1445 10.1445 11.2649 11.2649 12.7894 12.7894 14.6871 14.6871 15.8749 15.8749 20.5920 20.5920 k = 0.0000 0.3983-0.0000 ( 1321 PWs) bands (ev): 1.5141 1.5141 5.2326 5.2326 5.6492 5.6492 7.5804 7.5804 9.1741 9.1741 10.0388 10.0388 10.1079 10.1079 11.2718 11.2718 12.7899 12.7899 14.6157 14.6157 15.7896 15.7896 20.5804 20.5804 k = 0.0000 0.4068-0.0000 ( 1319 PWs) bands (ev): 1.6249 1.6249 5.2752 5.2752 5.5098 5.5098 7.6779 7.6779 9.1353 9.1353 9.9807 9.9807 10.0815 10.0815 11.2785 11.2785 12.7909 12.7909 14.5497 14.5497 15.7114 15.7114 20.5695 20.5695 k = 0.0000 0.4153-0.0000 ( 1319 PWs) bands (ev): 1.7346 1.7346 5.3154 5.3154 5.3731 5.3731 7.7751 7.7751 9.0987 9.0987 9.9170 9.9170 10.0601 10.0601 11.2847 11.2847 12.7924 12.7924 14.4892 14.4892 15.6402 15.6402 20.5592 20.5592 k = 0.0000 0.4237-0.0000 ( 1319 PWs) bands (ev): 1.8425 1.8425 5.2401 5.2401 5.3530 5.3530 7.8714 7.8714 9.0645 9.0645 9.8502 9.8502 10.0418 10.0418 11.2904 11.2904 12.7942 12.7942 14.4342 14.4342 15.5762 15.5762 20.5498 20.5498 k = 0.0000 0.4322-0.0000 ( 1319 PWs) bands (ev): 1.9476 1.9476 5.1121 5.1121 5.3876 5.3876 7.9662 7.9662 9.0331 9.0331 9.7815 9.7815 10.0259 10.0259 11.2955 11.2955 12.7961 12.7961 14.3847 14.3847 15.5191 15.5191 20.5411 20.5411 k = 0.0000 0.4407-0.0000 ( 1321 PWs) bands (ev): 2.0487 2.0487 4.9904 4.9904 5.4189 5.4189 8.0587 8.0587 9.0046 9.0046 9.7120 9.7120 10.0119 10.0119 11.3000 11.3000 12.7979 12.7979 14.3410 14.3410 15.4690 15.4690 20.5334 20.5334 k = 0.0000 0.4492-0.0000 ( 1321 PWs) bands (ev): 2.1442 2.1442 4.8767 4.8767 5.4468 5.4468 8.1477 8.1477 8.9793 8.9793 9.6428 9.6428 9.9999 9.9999 11.3040 11.3040 12.7998 12.7998 14.3030 14.3030 15.4257 15.4257 20.5265 20.5265 k = 0.0000 0.4576-0.0000 ( 1321 PWs) bands (ev): 2.2322 2.2322 4.7733 4.7733 5.4708 5.4708 8.2317 8.2317 8.9574 8.9574 9.5756 9.5756 9.9899 9.9899 11.3074 11.3074 12.8015 12.8015 14.2707 14.2707 15.3893 15.3893 20.5206 20.5206 k = 0.0000 0.4661-0.0000 ( 1319 PWs) bands (ev): 2.3103 2.3103 4.6824 4.6824 5.4908 5.4908 8.3087 8.3087 8.9392 8.9392 9.5124 9.5124 9.9816 9.9816 11.3102 11.3102 12.8031 12.8031 14.2442 14.2442 15.3596 15.3596 20.5158 20.5158 k = 0.0000 0.4746-0.0000 ( 1317 PWs) bands (ev): 2.3756 2.3756 4.6071 4.6071 5.5066 5.5066 8.3755 8.3755 8.9248 8.9248 9.4561 9.4561 9.9754 9.9754 11.3124 11.3124 12.8044 12.8044 14.2236 14.2236 15.3365 15.3365 20.5119 20.5119 k = 0.0000 0.4831-0.0000 ( 1321 PWs) bands (ev): 2.4252 2.4252 4.5502 4.5502 5.5179 5.5179 8.4285 8.4285 8.9144 8.9144 9.4108 9.4108 9.9708 9.9708 11.3139 11.3139 12.8053 12.8053 14.2088 14.2088 15.3201 15.3201 20.5092 20.5092 k = 0.0000 0.4915-0.0000 ( 1318 PWs) bands (ev): 2.4564 2.4564 4.5147 4.5147 5.5249 5.5249 8.4630 8.4630 8.9082 8.9082 9.3808 9.3808 9.9681 9.9681 11.3148 11.3148 12.8059 12.8059 14.2000 14.2000 15.3103 15.3103 20.5075 20.5075 k = 0.0000 0.5000-0.0000 ( 1318 PWs) bands (ev): 2.4670 2.4670 4.5027 4.5027 5.5272 5.5272 8.4751 8.4751 8.9061 8.9061 9.3703 9.3703 9.9671 9.9671 11.3151 11.3151 12.8061 12.8061 14.1971 14.1971 15.3070 15.3070 20.5070 20.5070 k = 0.0000 0.5000-0.0000 ( 1318 PWs) bands (ev): 2.4670 2.4670 4.5027 4.5027 5.5272 5.5272 8.4751 8.4751 8.9061 8.9061 9.3703 9.3703 9.9671 9.9671 11.3151 11.3151 12.8061 12.8061 14.1971 14.1971 15.3070 15.3070 20.5070 20.5070 k = 0.0085 0.5000-0.0000 ( 1318 PWs) bands (ev): 2.4679 2.4679 4.5042 4.5042 5.5283 5.5283 8.4741 8.4741 8.9048 8.9048 9.3715 9.3715 9.9686 9.9686 11.3172 11.3172 12.8060 12.8060 14.1971 14.1971 15.3074 15.3074 20.4765 20.4765 k = 0.0169 0.5000-0.0000 ( 1314 PWs) bands (ev): 2.4705 2.4705 4.5088 4.5088 5.5316 5.5316 8.4712 8.4712 8.9009 8.9009 9.3751 9.3751 9.9728 9.9728 11.3237 11.3237 12.8059 12.8059 14.1973 14.1973 15.3086 15.3086 20.3929 20.3929 k = 0.0254 0.5000-0.0000 ( 1314 PWs) bands (ev): 2.4749 2.4749 4.5165 4.5165 5.5370 5.5370 8.4665 8.4665 8.8946 8.8946 9.3812 9.3812 9.9799 9.9799 11.3342 11.3342 12.8056 12.8056 14.1976 14.1976 15.3106 15.3106 20.2720 20.2720 k = 0.0339 0.5000-0.0000 ( 1306 PWs) bands (ev): 2.4810 2.4810 4.5272 4.5272 5.5448 5.5448 8.4599 8.4599 8.8858 8.8858 9.3898 9.3898 9.9897 9.9897 11.3488 11.3488 12.8053 12.8053 14.1981 14.1981 15.3133 15.3133 20.1276 20.1276 k = 0.0424 0.5000-0.0000 ( 1302 PWs) bands (ev): 2.4888 2.4888 4.5411 4.5411 5.5546 5.5546 8.4516 8.4516 8.8747 8.8747 9.4007 9.4007 10.0021 10.0021 11.3674 11.3674 12.8048 12.8048 14.1986 14.1986 15.3169 15.3169 19.9688 19.9688 k = 0.0508 0.5000-0.0000 ( 1306 PWs) bands (ev): 2.4984 2.4984 4.5579 4.5579 5.5666 5.5666 8.4417 8.4417 8.8613 8.8613 9.4138 9.4138 10.0169 10.0169 11.3899 11.3899 12.8041 12.8041 14.1991 14.1991 15.3212 15.3212 19.8011 19.8011 k = 0.0593 0.5000-0.0000 ( 1306 PWs) bands (ev): 2.5096 2.5096 4.5778 4.5778 5.5807 5.5807 8.4302 8.4302 8.8457 8.8457 9.4293 9.4293 10.0342 10.0342 11.4162 11.4162 12.8034 12.8034 14.1998 14.1998 15.3262 15.3262 19.6278 19.6278 k = 0.0678 0.5000-0.0000 ( 1306 PWs) bands (ev): 2.5226 2.5226 4.6006 4.6006 5.5970 5.5970 8.4174 8.4174 8.8282 8.8282 9.4472 9.4472 10.0537 10.0537 11.4462 11.4462 12.8025 12.8025 14.2004 14.2004 15.3320 15.3320 19.4510 19.4510 k = 0.0763 0.5000-0.0000 ( 1302 PWs) bands (ev): 2.5372 2.5372 4.6265 4.6265 5.6155 5.6155 8.4033 8.4033 8.8088 8.8088 9.4673 9.4673 10.0754 10.0754 11.4799 11.4799 12.8014 12.8014 14.2012 14.2012 15.3386 15.3386 19.2722 19.2722 k = 0.0847 0.5000-0.0000 ( 1306 PWs) bands (ev): 2.5535 2.5535 4.6554 4.6554 5.6360 5.6360 8.3881 8.3881 8.7877 8.7877 9.4896 9.4896 10.0988 10.0988 11.5169 11.5169 12.8002 12.8002 14.2018 14.2018 15.3459 15.3459 19.0924 19.0924 k = 0.0932 0.5000-0.0000 ( 1302 PWs) bands (ev): 2.5714 2.5714 4.6873 4.6873 5.6587 5.6587 8.3720 8.3720 8.7650 8.7650 9.5142 9.5142 10.1243 10.1243 11.5574 11.5574 12.7988 12.7988 14.2024 14.2024 15.3539 15.3539 18.9123 18.9123 k = 0.1017 0.5000-0.0000 ( 1298 PWs) bands (ev): 2.5909 2.5909 4.7221 4.7221 5.6834 5.6834 8.3550 8.3550 8.7409 8.7409 9.5409 9.5409 10.1515 10.1515 11.6011 11.6011 12.7973 12.7973 14.2029 14.2029 15.3625 15.3625 18.7325 18.7325 k = 0.1102 0.5000-0.0000 ( 1294 PWs) bands (ev): 2.6120 2.6120 4.7598 4.7598 5.7102 5.7102 8.3373 8.3373 8.7156 8.7156 9.5697 9.5697 10.1800 10.1800 11.6480 11.6480 12.7955 12.7955 14.2032 14.2032 15.3719 15.3719 18.5536 18.5536 k = 0.1186 0.5000-0.0000 ( 1296 PWs) bands (ev): 2.6347 2.6347 4.8004 4.8004 5.7390 5.7390 8.3190 8.3190 8.6892 8.6892 9.6005 9.6005 10.2096 10.2096 11.6978 11.6978 12.7935 12.7935 14.2034 14.2034 15.3819 15.3819 18.3758 18.3758 k = 0.1271 0.5000-0.0000 ( 1296 PWs) bands (ev): 2.6588 2.6588 4.8439 4.8439 5.7697 5.7697 8.3003 8.3003 8.6617 8.6617 9.6333 9.6333 10.2404 10.2404 11.7506 11.7506 12.7913 12.7913 14.2033 14.2033 15.3926 15.3926 18.1996 18.1996 k = 0.1356 0.5000-0.0000 ( 1296 PWs) bands (ev): 2.6844 2.6844 4.8902 4.8902 5.8025 5.8025 8.2813 8.2813 8.6335 8.6335 9.6680 9.6680 10.2722 10.2722 11.8061 11.8061 12.7887 12.7887 14.2029 14.2029 15.4039 15.4039 18.0253 18.0253 k = 0.1441 0.5000-0.0000 ( 1294 PWs) bands (ev): 2.7114 2.7114 4.9393 4.9393 5.8372 5.8372 8.2620 8.2620 8.6045 8.6045 9.7045 9.7045 10.3047 10.3047 11.8644 11.8644 12.7860 12.7860 14.2021 14.2021 15.4157 15.4157 17.8533 17.8533 k = 0.1525 0.5000-0.0000 ( 1294 PWs) bands (ev): 2.7398 2.7398 4.9912 4.9912 5.8738 5.8738 8.2426 8.2426 8.5749 8.5749 9.7426 9.7426 10.3378 10.3378 11.9254 11.9254 12.7829 12.7829 14.2008 14.2008 15.4282 15.4282 17.6838 17.6838 k = 0.1610 0.5000-0.0000 ( 1294 PWs) bands (ev): 2.7696 2.7696 5.0457 5.0457 5.9122 5.9122 8.2233 8.2233 8.5448 8.5448 9.7825 9.7825 10.3712 10.3712 11.9890 11.9890 12.7794 12.7794 14.1991 14.1991 15.4412 15.4412 17.5172 17.5172 k = 0.1695 0.5000-0.0000 ( 1298 PWs) bands (ev): 2.8006 2.8006 5.1030 5.1030 5.9525 5.9525 8.2040 8.2040 8.5144 8.5144 9.8239 9.8239 10.4049 10.4049 12.0550 12.0550 12.7756 12.7756 14.1967 14.1967 15.4547 15.4547 17.3536 17.3536 k = 0.1780 0.5000-0.0000 ( 1294 PWs) bands (ev): 2.8329 2.8329 5.1629 5.1629 5.9945 5.9945 8.1850 8.1850 8.4837 8.4837 9.8669 9.8669 10.4385 10.4385 12.1235 12.1235 12.7714 12.7714 14.1937 14.1937 15.4687 15.4687 17.1936 17.1936 k = 0.1864 0.5000-0.0000 ( 1290 PWs) bands (ev): 2.8663 2.8663 5.2254 5.2254 6.0383 6.0383 8.1662 8.1662 8.4528 8.4528 9.9111 9.9111 10.4719 10.4719 12.1944 12.1944 12.7668 12.7668 14.1899 14.1899 15.4831 15.4831 17.0373 17.0373 k = 0.1949 0.5000-0.0000 ( 1286 PWs) bands (ev): 2.9008 2.9008 5.2905 5.2905 6.0837 6.0837 8.1479 8.1479 8.4219 8.4219 9.9564 9.9564 10.5049 10.5049 12.2677 12.2677 12.7618 12.7618 14.1851 14.1851 15.4980 15.4980 16.8852 16.8852 k = 0.2034 0.5000-0.0000 ( 1286 PWs) bands (ev): 2.9364 2.9364 5.3580 5.3580 6.1308 6.1308 8.1300 8.1300 8.3909 8.3909 10.0027 10.0027 10.5372 10.5372 12.3433 12.3433 12.7563 12.7563 14.1794 14.1794 15.5133 15.5133 16.7374 16.7374 k = 0.2119 0.5000-0.0000 ( 1286 PWs) bands (ev): 2.9729 2.9729 5.4279 5.4279 6.1793 6.1793 8.1126 8.1126 8.3600 8.3600 10.0498 10.0498 10.5685 10.5685 12.4212 12.4212 12.7504 12.7504 14.1726 14.1726 15.5289 15.5289 16.5944 16.5944 k = 0.2203 0.5000-0.0000 ( 1290 PWs) bands (ev): 3.0103 3.0103 5.5002 5.5002 6.2293 6.2293 8.0958 8.0958 8.3293 8.3293 10.0976 10.0976 10.5986 10.5986 12.5013 12.5013 12.7440 12.7440 14.1646 14.1646 15.5448 15.5448 16.4565 16.4565 k = 0.2288 0.5000-0.0000 ( 1284 PWs) bands (ev): 3.0485 3.0485 5.5748 5.5748 6.2807 6.2807 8.0797 8.0797 8.2989 8.2989 10.1460 10.1460 10.6272 10.6272 12.5836 12.5836 12.7373 12.7373 14.1552 14.1552 15.5611 15.5611 16.3241 16.3241 k = 0.2373 0.5000-0.0000 ( 1288 PWs) bands (ev): 3.0874 3.0874 5.6515 5.6515 6.3334 6.3334 8.0644 8.0644 8.2687 8.2687 10.1943 10.1943 10.6541 10.6541 12.6674 12.6674 12.7306 12.7306 14.1444 14.1444 15.5775 15.5775 16.1975 16.1975 k = 0.2458 0.5000-0.0000 ( 1292 PWs) bands (ev): 3.1269 3.1269 5.7305 5.7305 6.3873 6.3873 8.0499 8.0499 8.2388 8.2388 10.2428 10.2428 10.6789 10.6789 12.7190 12.7190 12.7579 12.7579 14.1321 14.1321 15.5941 15.5941 16.0773 16.0773 k = 0.2542 0.5000-0.0000 ( 1288 PWs) bands (ev): 3.1670 3.1670 5.8114 5.8114 6.4423 6.4423 8.0363 8.0363 8.2095 8.2095 10.2911 10.2911 10.7014 10.7014 12.7123 12.7123 12.8453 12.8453 14.1180 14.1180 15.6107 15.6107 15.9639 15.9639 k = 0.2627 0.5000-0.0000 ( 1288 PWs) bands (ev): 3.2075 3.2075 5.8944 5.8944 6.4984 6.4984 8.0237 8.0237 8.1806 8.1806 10.3386 10.3386 10.7212 10.7212 12.7036 12.7036 12.9364 12.9364 14.1021 14.1021 15.6273 15.6273 15.8577 15.8577 k = 0.2712 0.5000-0.0000 ( 1284 PWs) bands (ev): 3.2483 3.2483 5.9792 5.9792 6.5554 6.5554 8.0120 8.0120 8.1524 8.1524 10.3853 10.3853 10.7381 10.7381 12.6944 12.6944 13.0298 13.0298 14.0842 14.0842 15.6431 15.6431 15.7598 15.7598 k = 0.2797 0.5000-0.0000 ( 1282 PWs) bands (ev): 3.2893 3.2893 6.0657 6.0657 6.6131 6.6131 8.0015 8.0015 8.1247 8.1247 10.4308 10.4308 10.7518 10.7518 12.6848 12.6848 13.1254 13.1254 14.0643 14.0643 15.6475 15.6475 15.6812 15.6812 k = 0.2881 0.5000-0.0000 ( 1282 PWs) bands (ev): 3.3304 3.3304 6.1539 6.1539 6.6716 6.6716 7.9920 7.9920 8.0976 8.0976 10.4747 10.4747 10.7619 10.7619 12.6748 12.6748 13.2231 13.2231 14.0423 14.0423 15.5803 15.5803 15.6823 15.6823 k = 0.2966 0.5000-0.0000 ( 1286 PWs) bands (ev): 3.3715 3.3715 6.2436 6.2436 6.7305 6.7305 7.9837 7.9837 8.0712 8.0712 10.5165 10.5165 10.7684 10.7684 12.6646 12.6646 13.3231 13.3231 14.0180 14.0180 15.5072 15.5072 15.6978 15.6978 k = 0.3051 0.5000-0.0000 ( 1286 PWs) bands (ev): 3.4124 3.4124 6.3347 6.3347 6.7898 6.7898 7.9766 7.9766 8.0456 8.0456 10.5558 10.5558 10.7710 10.7710 12.6544 12.6544 13.4252 13.4252 13.9915 13.9915 15.4421 15.4421 15.7140 15.7140 k = 0.3136 0.5000-0.0000 ( 1290 PWs) bands (ev): 3.4530 3.4530 6.4270 6.4270 6.8493 6.8493 7.9707 7.9707 8.0208 8.0208 10.5923 10.5923 10.7696 10.7696 12.6442 12.6442 13.5294 13.5294 13.9628 13.9628 15.3860 15.3860 15.7301 15.7301 k = 0.3220 0.5000-0.0000 ( 1286 PWs) bands (ev): 3.4933 3.4933 6.5203 6.5203 6.9089 6.9089 7.9661 7.9661 7.9968 7.9968 10.6254 10.6254 10.7642 10.7642 12.6344 12.6344 13.6358 13.6358 13.9319 13.9319 15.3392 15.3392 15.7458 15.7458 k = 0.3305 0.5000-0.0000 ( 1290 PWs) bands (ev): 3.5329 3.5329 6.6145 6.6145 6.9683 6.9683 7.9626 7.9626 7.9736 7.9736 10.6545 10.6545 10.7549 10.7549 12.6249 12.6249 13.7439 13.7439 13.8992 13.8992 15.3018 15.3018 15.7610 15.7610 k = 0.3390 0.5000-0.0000 ( 1290 PWs) bands (ev): 3.5719 3.5719 6.7094 6.7094 7.0273 7.0273 7.9513 7.9513 7.9606 7.9606 10.6791 10.6791 10.7419 10.7419 12.6162 12.6162 13.8461 13.8461 13.8726 13.8726 15.2739 15.2739 15.7754 15.7754 k = 0.3475 0.5000-0.0000 ( 1294 PWs) bands (ev): 3.6099 3.6099 6.8046 6.8046 7.0857 7.0857 7.9300 7.9300 7.9596 7.9596 10.6975 10.6975 10.7266 10.7266 12.6084 12.6084 13.8245 13.8245 13.9701 13.9701 15.2555 15.2555 15.7886 15.7886 k = 0.3559 0.5000-0.0000 ( 1290 PWs) bands (ev): 3.6470 3.6470 6.9000 6.9000 7.1434 7.1434 7.9097 7.9097 7.9599 7.9599 10.6974 10.6974 10.7213 10.7213 12.6017 12.6017 13.7862 13.7862 14.0848 14.0848 15.2466 15.2466 15.8000 15.8000 k = 0.3644 0.5000-0.0000 ( 1286 PWs) bands (ev): 3.6830 3.6830 6.9952 6.9952 7.2000 7.2000 7.8904 7.8904 7.9613 7.9613 10.6763 10.6763 10.7285 10.7285 12.5964 12.5964 13.7461 13.7461 14.2021 14.2021 15.2469 15.2469 15.8086 15.8086 k = 0.3729 0.5000-0.0000 ( 1286 PWs) bands (ev): 3.7177 3.7177 7.0900 7.0900 7.2554 7.2554 7.8722 7.8722 7.9638 7.9638 10.6502 10.6502 10.7323 10.7323 12.5926 12.5926 13.7049 13.7049 14.3216 14.3216 15.2562 15.2562 15.8121 15.8121 k = 0.3814 0.5000-0.0000 ( 1290 PWs) bands (ev): 3.7509 3.7509 7.1838 7.1838 7.3092 7.3092 7.8549 7.8549 7.9674 7.9674 10.6214 10.6214 10.7308 10.7308 12.5902 12.5902 13.6630 13.6630 14.4434 14.4434 15.2743 15.2743 15.8061 15.8061 k = 0.3898 0.5000-0.0000 ( 1290 PWs) bands (ev): 3.7826 3.7826 7.2763 7.2763 7.3611 7.3611 7.8388 7.8388 7.9718 7.9718 10.5907 10.5907 10.7239 10.7239 12.5895 12.5895 13.6209 13.6209 14.5674 14.5674 15.3006 15.3006 15.7835 15.7835 k = 0.3983 0.5000-0.0000 ( 1290 PWs) bands (ev): 3.8126 3.8126 7.3668 7.3668 7.4111 7.4111 7.8237 7.8237 7.9771 7.9771 10.5588 10.5588 10.7118 10.7118 12.5904 12.5904 13.5790 13.5790 14.6936 14.6936 15.3349 15.3349 15.7402 15.7402 k = 0.4068 0.5000-0.0000 ( 1286 PWs) bands (ev): 3.8409 3.8409 7.4521 7.4521 7.4615 7.4615 7.8099 7.8099 7.9830 7.9830 10.5263 10.5263 10.6950 10.6950 12.5928 12.5928 13.5378 13.5378 14.8220 14.8220 15.3767 15.3767 15.6836 15.6836 k = 0.4153 0.5000-0.0000 ( 1286 PWs) bands (ev): 3.8671 3.8671 7.5020 7.5020 7.5415 7.5415 7.7971 7.7971 7.9895 7.9895 10.4939 10.4939 10.6739 10.6739 12.5964 12.5964 13.4979 13.4979 14.9525 14.9525 15.4254 15.4254 15.6235 15.6235 k = 0.4237 0.5000-0.0000 ( 1286 PWs) bands (ev): 3.8912 3.8912 7.5438 7.5438 7.6228 7.6228 7.7856 7.7856 7.9962 7.9962 10.4621 10.4621 10.6494 10.6494 12.6010 12.6010 13.4597 13.4597 15.0851 15.0851 15.4805 15.4805 15.5655 15.5655 k = 0.4322 0.5000-0.0000 ( 1282 PWs) bands (ev): 3.9131 3.9131 7.5820 7.5820 7.6996 7.6996 7.7753 7.7753 8.0031 8.0031 10.4317 10.4317 10.6226 10.6226 12.6063 12.6063 13.4239 13.4239 15.2196 15.2196 15.5117 15.5117 15.5418 15.5418 k = 0.4407 0.5000-0.0000 ( 1282 PWs) bands (ev): 3.9326 3.9326 7.6165 7.6165 7.7640 7.7640 7.7731 7.7731 8.0099 8.0099 10.4031 10.4031 10.5945 10.5945 12.6120 12.6120 13.3909 13.3909 15.3543 15.3543 15.4662 15.4662 15.6073 15.6073 k = 0.4492 0.5000-0.0000 ( 1278 PWs) bands (ev): 3.9498 3.9498 7.6470 7.6470 7.7579 7.7579 7.8363 7.8363 8.0165 8.0165 10.3771 10.3771 10.5663 10.5663 12.6178 12.6178 13.3613 13.3613 15.4160 15.4160 15.5015 15.5015 15.6770 15.6770 k = 0.4576 0.5000-0.0000 ( 1274 PWs) bands (ev): 3.9645 3.9645 7.6733 7.6733 7.7514 7.7514 7.8934 7.8934 8.0228 8.0228 10.3541 10.3541 10.5394 10.5394 12.6233 12.6233 13.3353 13.3353 15.3838 15.3838 15.6379 15.6379 15.7502 15.7502 k = 0.4661 0.5000-0.0000 ( 1272 PWs) bands (ev): 3.9766 3.9766 7.6950 7.6950 7.7461 7.7461 7.9417 7.9417 8.0287 8.0287 10.3345 10.3345 10.5150 10.5150 12.6283 12.6283 13.3135 13.3135 15.3554 15.3554 15.7721 15.7721 15.8299 15.8299 k = 0.4746 0.5000-0.0000 ( 1272 PWs) bands (ev): 3.9861 3.9861 7.7118 7.7118 7.7422 7.7422 7.9796 7.9796 8.0345 8.0345 10.3188 10.3188 10.4945 10.4945 12.6324 12.6324 13.2962 13.2962 15.3331 15.3331 15.8700 15.8700 15.9423 15.9423 k = 0.4831 0.5000-0.0000 ( 1272 PWs) bands (ev): 3.9929 3.9929 7.7231 7.7231 7.7402 7.7402 8.0053 8.0053 8.0409 8.0409 10.3074 10.3074 10.4789 10.4789 12.6355 12.6355 13.2836 13.2836 15.3172 15.3172 15.9302 15.9302 16.0043 16.0043 k = 0.4915 0.5000-0.0000 ( 1272 PWs) bands (ev): 3.9970 3.9970 7.7285 7.7285 7.7405 7.7405 8.0182 8.0182 8.0477 8.0477 10.3005 10.3005 10.4692 10.4692 12.6374 12.6374 13.2760 13.2760 15.3076 15.3076 15.9639 15.9639 16.0167 16.0167 k = 0.5000 0.5000-0.0000 ( 1272 PWs) bands (ev): 3.9984 3.9984 7.7296 7.7296 7.7413 7.7413 8.0217 8.0217 8.0508 8.0508 10.2981 10.2981 10.4659 10.4659 12.6380 12.6380 13.2734 13.2734 15.3044 15.3044 15.9729 15.9729 16.0242 16.0242 k = 0.5000 0.5000-0.0000 ( 1272 PWs) bands (ev): 3.9984 3.9984 7.7296 7.7296 7.7413 7.7413 8.0217 8.0217 8.0508 8.0508 10.2981 10.2981 10.4659 10.4659 12.6380 12.6380 13.2734 13.2734 15.3044 15.3044 15.9729 15.9729 16.0242 16.0242 k = 0.4940 0.4940-0.0000 ( 1272 PWs) bands (ev): 3.9970 3.9970 7.7284 7.7284 7.7406 7.7406 8.0179 8.0179 8.0479 8.0479 10.3004 10.3004 10.4692 10.4692 12.6374 12.6374 13.2760 13.2760 15.3076 15.3076 15.9628 15.9628 16.0177 16.0177 k = 0.4880 0.4880-0.0000 ( 1272 PWs) bands (ev): 3.9928 3.9928 7.7221 7.7221 7.7411 7.7411 8.0024 8.0024 8.0438 8.0438 10.3068 10.3068 10.4795 10.4795 12.6354 12.6354 13.2837 13.2837 15.3174 15.3174 15.9209 15.9209 16.0137 16.0138 k = 0.4819 0.4819-0.0000 ( 1272 PWs) bands (ev): 3.9858 3.9858 7.7091 7.7091 7.7447 7.7447 7.9715 7.9715 8.0432 8.0432 10.3156 10.3156 10.4971 10.4971 12.6322 12.6322 13.2963 13.2963 15.3337 15.3337 15.8505 15.8505 15.9416 15.9416 k = 0.4759 0.4759-0.0000 ( 1272 PWs) bands (ev): 3.9757 3.9757 7.6900 7.6900 7.7506 7.7506 7.9279 7.9279 8.0451 8.0451 10.3253 10.3253 10.5217 10.5217 12.6279 12.6279 13.3136 13.3136 15.3569 15.3569 15.7615 15.7615 15.8101 15.8101 k = 0.4699 0.4699-0.0000 ( 1272 PWs) bands (ev): 3.9625 3.9625 7.6654 7.6654 7.7586 7.7586 7.8744 7.8744 8.0484 8.0484 10.3345 10.3345 10.5526 10.5526 12.6224 12.6224 13.3350 13.3350 15.3870 15.3870 15.6499 15.6499 15.6988 15.6988 k = 0.4639 0.4639-0.0000 ( 1276 PWs) bands (ev): 3.9460 3.9460 7.6355 7.6355 7.7683 7.7683 7.8137 7.8137 8.0530 8.0530 10.3426 10.3426 10.5878 10.5878 12.6159 12.6159 13.3601 13.3601 15.4233 15.4233 15.5271 15.5271 15.6038 15.6038 k = 0.4578 0.4578-0.0000 ( 1278 PWs) bands (ev): 3.9259 3.9259 7.6007 7.6007 7.7465 7.7465 7.7811 7.7811 8.0585 8.0585 10.3495 10.3495 10.6252 10.6252 12.6086 12.6086 13.3880 13.3880 15.3968 15.3968 15.4762 15.4762 15.5146 15.5146 k = 0.4518 0.4518-0.0000 ( 1282 PWs) bands (ev): 3.9019 3.9019 7.5611 7.5611 7.6775 7.6775 7.7943 7.7943 8.0648 8.0648 10.3552 10.3552 10.6625 10.6625 12.6007 12.6007 13.4178 13.4178 15.2824 15.2824 15.4276 15.4276 15.5294 15.5294 k = 0.4458 0.4458-0.0000 ( 1282 PWs) bands (ev): 3.8738 3.8738 7.5172 7.5172 7.6068 7.6068 7.8097 7.8097 8.0720 8.0720 10.3598 10.3598 10.6976 10.6976 12.5923 12.5923 13.4481 13.4481 15.1730 15.1730 15.3465 15.3465 15.5926 15.5926 k = 0.4398 0.4398-0.0000 ( 1290 PWs) bands (ev): 3.8413 3.8413 7.4690 7.4690 7.5361 7.5361 7.8268 7.8268 8.0800 8.0800 10.3630 10.3630 10.7289 10.7289 12.5835 12.5835 13.4774 13.4774 15.0723 15.0723 15.2705 15.2705 15.6658 15.6658 k = 0.4337 0.4337-0.0000 ( 1298 PWs) bands (ev): 3.8040 3.8040 7.4170 7.4170 7.4670 7.4670 7.8457 7.8457 8.0888 8.0888 10.3646 10.3646 10.7553 10.7553 12.5747 12.5747 13.5035 13.5035 14.9823 14.9823 15.2001 15.2001 15.7490 15.7490 k = 0.4277 0.4277-0.0000 ( 1302 PWs) bands (ev): 3.7618 3.7618 7.3614 7.3614 7.4005 7.4005 7.8665 7.8665 8.0982 8.0982 10.3642 10.3642 10.7761 10.7761 12.5659 12.5659 13.5242 13.5242 14.9055 14.9055 15.1357 15.1357 15.8425 15.8425 k = 0.4217 0.4217-0.0000 ( 1298 PWs) bands (ev): 3.7145 3.7145 7.3026 7.3026 7.3378 7.3378 7.8891 7.8891 8.1083 8.1083 10.3613 10.3613 10.7912 10.7912 12.5576 12.5576 13.5366 13.5366 14.8442 14.8442 15.0773 15.0773 15.9465 15.9465 k = 0.4157 0.4157-0.0000 ( 1296 PWs) bands (ev): 3.6618 3.6618 7.2409 7.2409 7.2796 7.2796 7.9134 7.9134 8.1190 8.1190 10.3550 10.3550 10.8008 10.8008 12.5498 12.5498 13.5381 13.5381 14.8009 14.8009 15.0249 15.0249 16.0611 16.0611 k = 0.4096 0.4096-0.0000 ( 1296 PWs) bands (ev): 3.6037 3.6037 7.1764 7.1764 7.2264 7.2264 7.9393 7.9393 8.1304 8.1304 10.3444 10.3444 10.8059 10.8059 12.5427 12.5427 13.5266 13.5266 14.7775 14.7775 14.9784 14.9784 16.1861 16.1861 k = 0.4036 0.4036-0.0000 ( 1296 PWs) bands (ev): 3.5401 3.5401 7.1094 7.1094 7.1788 7.1788 7.9670 7.9670 8.1422 8.1422 10.3286 10.3286 10.8075 10.8075 12.5364 12.5364 13.5012 13.5012 14.7746 14.7746 14.9375 14.9375 16.3212 16.3212 k = 0.3976 0.3976-0.0000 ( 1294 PWs) bands (ev): 3.4710 3.4710 7.0402 7.0402 7.1372 7.1372 7.9964 7.9964 8.1546 8.1546 10.3066 10.3066 10.8072 10.8072 12.5313 12.5313 13.4626 13.4626 14.7913 14.7913 14.9019 14.9019 16.4653 16.4653 k = 0.3916 0.3916-0.0000 ( 1294 PWs) bands (ev): 3.3966 3.3966 6.9690 6.9690 7.1015 7.1015 8.0274 8.0274 8.1673 8.1673 10.2776 10.2776 10.8064 10.8064 12.5274 12.5274 13.4123 13.4123 14.8257 14.8257 14.8715 14.8715 16.5718 16.5718 k = 0.3855 0.3855-0.0000 ( 1298 PWs) bands (ev): 3.3170 3.3170 6.8960 6.8960 7.0719 7.0719 8.0600 8.0600 8.1805 8.1805 10.2412 10.2412 10.8062 10.8062 12.5249 12.5249 13.3527 13.3527 14.8440 14.8440 14.8768 14.8768 16.5930 16.5930 k = 0.3795 0.3795-0.0000 ( 1298 PWs) bands (ev): 3.2326 3.2326 6.8215 6.8215 7.0480 7.0480 8.0942 8.0942 8.1940 8.1940 10.1973 10.1973 10.8077 10.8077 12.5240 12.5240 13.2860 13.2860 14.8223 14.8223 14.9391 14.9391 16.6125 16.6125 k = 0.3735 0.3735-0.0000 ( 1294 PWs) bands (ev): 3.1437 3.1437 6.7458 6.7458 7.0297 7.0297 8.1299 8.1299 8.2079 8.2079 10.1465 10.1465 10.8113 10.8113 12.5248 12.5248 13.2143 13.2143 14.8039 14.8039 15.0124 15.0124 16.6326 16.6326 k = 0.3675 0.3675-0.0000 ( 1298 PWs) bands (ev): 3.0505 3.0505 6.6689 6.6689 7.0165 7.0165 8.1671 8.1671 8.2221 8.2221 10.0896 10.0896 10.8171 10.8171 12.5275 12.5275 13.1393 13.1393 14.7888 14.7888 15.0946 15.0946 16.6537 16.6537 k = 0.3614 0.3614-0.0000 ( 1298 PWs) bands (ev): 2.9535 2.9535 6.5911 6.5911 7.0080 7.0080 8.2053 8.2053 8.2369 8.2369 10.0276 10.0276 10.8251 10.8251 12.5323 12.5323 13.0623 13.0623 14.7767 14.7767 15.1839 15.1839 16.6758 16.6758 k = 0.3554 0.3554-0.0000 ( 1298 PWs) bands (ev): 2.8530 2.8530 6.5126 6.5126 7.0036 7.0036 8.2414 8.2414 8.2554 8.2554 9.9617 9.9617 10.8350 10.8350 12.5392 12.5392 12.9842 12.9842 14.7672 14.7672 15.2794 15.2794 16.6989 16.6989 k = 0.3494 0.3494-0.0000 ( 1298 PWs) bands (ev): 2.7496 2.7496 6.4334 6.4334 7.0025 7.0025 8.2620 8.2620 8.2910 8.2910 9.8933 9.8933 10.8467 10.8467 12.5484 12.5484 12.9059 12.9059 14.7603 14.7603 15.3801 15.3801 16.7231 16.7231 k = 0.3434 0.3434-0.0000 ( 1304 PWs) bands (ev): 2.6435 2.6435 6.3539 6.3539 7.0041 7.0041 8.2771 8.2771 8.3333 8.3333 9.8237 9.8237 10.8598 10.8598 12.5598 12.5598 12.8280 12.8280 14.7555 14.7555 15.4852 15.4852 16.7484 16.7484 k = 0.3373 0.3373-0.0000 ( 1304 PWs) bands (ev): 2.5353 2.5353 6.2740 6.2740 7.0076 7.0076 8.2916 8.2916 8.3777 8.3777 9.7540 9.7540 10.8741 10.8741 12.5735 12.5735 12.7512 12.7512 14.7529 14.7529 15.5942 15.5942 16.7748 16.7748 k = 0.3313 0.3313-0.0000 ( 1304 PWs) bands (ev): 2.4252 2.4252 6.1940 6.1940 7.0122 7.0122 8.3059 8.3059 8.4236 8.4236 9.6855 9.6855 10.8894 10.8894 12.5883 12.5883 12.6770 12.6770 14.7521 14.7521 15.7067 15.7067 16.8023 16.8023 k = 0.3253 0.3253-0.0000 ( 1304 PWs) bands (ev): 2.3136 2.3136 6.1140 6.1140 7.0170 7.0170 8.3200 8.3200 8.4708 8.4708 9.6195 9.6195 10.9055 10.9055 12.5838 12.5838 12.6261 12.6261 14.7531 14.7531 15.8223 15.8223 16.8310 16.8310 k = 0.3193 0.3193-0.0000 ( 1302 PWs) bands (ev): 2.2010 2.2010 6.0342 6.0342 7.0209 7.0209 8.3338 8.3338 8.5193 8.5193 9.5571 9.5571 10.9222 10.9222 12.5200 12.5200 12.6389 12.6389 14.7559 14.7559 15.9406 15.9406 16.8609 16.8609 k = 0.3133 0.3133-0.0000 ( 1306 PWs) bands (ev): 2.0876 2.0876 5.9544 5.9544 7.0231 7.0231 8.3474 8.3474 8.5690 8.5690 9.4997 9.4997 10.9393 10.9393 12.4491 12.4491 12.6631 12.6631 14.7602 14.7602 16.0614 16.0614 16.8920 16.8920 k = 0.3072 0.3072-0.0000 ( 1306 PWs) bands (ev): 1.9736 1.9736 5.8750 5.8750 7.0225 7.0225 8.3608 8.3608 8.6199 8.6199 9.4482 9.4482 10.9567 10.9567 12.3791 12.3791 12.6913 12.6913 14.7661 14.7661 16.1845 16.1845 16.9244 16.9244 k = 0.3012 0.3012-0.0000 ( 1310 PWs) bands (ev): 1.8594 1.8594 5.7961 5.7961 7.0183 7.0183 8.3737 8.3737 8.6719 8.6719 9.4037 9.4037 10.9741 10.9741 12.3105 12.3105 12.7228 12.7228 14.7735 14.7735 16.3097 16.3097 16.9580 16.9580 k = 0.2952 0.2952-0.0000 ( 1306 PWs) bands (ev): 1.7453 1.7453 5.7177 5.7177 7.0096 7.0096 8.3864 8.3864 8.7250 8.7250 9.3672 9.3672 10.9918 10.9918 12.2436 12.2436 12.7576 12.7576 14.7823 14.7823 16.4368 16.4368 16.9929 16.9929 k = 0.2892 0.2892-0.0000 ( 1306 PWs) bands (ev): 1.6314 1.6314 5.6399 5.6399 6.9956 6.9956 8.3987 8.3987 8.7790 8.7790 9.3394 9.3394 11.0093 11.0093 12.1785 12.1785 12.7956 12.7956 14.7927 14.7927 16.5657 16.5657 17.0291 17.0291 k = 0.2831 0.2831-0.0000 ( 1308 PWs) bands (ev): 1.5180 1.5180 5.5627 5.5627 6.9758 6.9758 8.4106 8.4106 8.8339 8.8339 9.3211 9.3211 11.0267 11.0267 12.1152 12.1152 12.8369 12.8369 14.8044 14.8044 16.6961 16.6961 17.0668 17.0668 k = 0.2771 0.2771-0.0000 ( 1308 PWs) bands (ev): 1.4053 1.4053 5.4864 5.4864 6.9499 6.9499 8.4222 8.4222 8.8897 8.8897 9.3123 9.3123 11.0438 11.0438 12.0539 12.0539 12.8814 12.8814 14.8177 14.8177 16.8280 16.8280 17.1060 17.1060 k = 0.2711 0.2711-0.0000 ( 1312 PWs) bands (ev): 1.2934 1.2934 5.4109 5.4109 6.9177 6.9177 8.4333 8.4333 8.9462 8.9462 9.3133 9.3133 11.0604 11.0604 11.9944 11.9944 12.9293 12.9293 14.8324 14.8324 16.9610 16.9610 17.1468 17.1468 k = 0.2651 0.2651-0.0000 ( 1308 PWs) bands (ev): 1.1825 1.1825 5.3363 5.3363 6.8793 6.8793 8.4440 8.4440 9.0035 9.0035 9.3241 9.3241 11.0769 11.0769 11.9369 11.9369 12.9805 12.9805 14.8487 14.8487 17.0943 17.0943 17.1902 17.1902 k = 0.2590 0.2590-0.0000 ( 1308 PWs) bands (ev): 1.0728 1.0728 5.2627 5.2627 6.8352 6.8352 8.4543 8.4543 9.0615 9.0615 9.3440 9.3440 11.0928 11.0928 11.8813 11.8813 13.0349 13.0349 14.8665 14.8665 17.2150 17.2150 17.2488 17.2488 k = 0.2530 0.2530-0.0000 ( 1308 PWs) bands (ev): 0.9644 0.9644 5.1901 5.1901 6.7856 6.7856 8.4642 8.4642 9.1200 9.1200 9.3727 9.3727 11.1081 11.1081 11.8275 11.8275 13.0927 13.0927 14.8859 14.8859 17.2725 17.2725 17.3734 17.3734 k = 0.2470 0.2470-0.0000 ( 1306 PWs) bands (ev): 0.8574 0.8574 5.1186 5.1186 6.7312 6.7312 8.4737 8.4737 9.1789 9.1789 9.4095 9.4095 11.1230 11.1230 11.7757 11.7757 13.1537 13.1537 14.9068 14.9068 17.3204 17.3204 17.5102 17.5102 k = 0.2410 0.2410-0.0000 ( 1310 PWs) bands (ev): 0.7519 0.7519 5.0483 5.0483 6.6727 6.6727 8.4826 8.4826 9.2383 9.2383 9.4536 9.4536 11.1371 11.1371 11.7258 11.7258 13.2179 13.2179 14.9295 14.9295 17.3691 17.3691 17.6487 17.6487 k = 0.2349 0.2349-0.0000 ( 1314 PWs) bands (ev): 0.6481 0.6481 4.9791 4.9791 6.6107 6.6107 8.4911 8.4911 9.2981 9.2981 9.5042 9.5042 11.1505 11.1505 11.6778 11.6778 13.2854 13.2854 14.9538 14.9538 17.4192 17.4192 17.7883 17.7883 k = 0.2289 0.2289-0.0000 ( 1314 PWs) bands (ev): 0.5461 0.5461 4.9113 4.9113 6.5459 6.5459 8.4993 8.4993 9.3582 9.3582 9.5607 9.5607 11.1633 11.1633 11.6317 11.6317 13.3562 13.3562 14.9800 14.9800 17.4710 17.4710 17.9287 17.9287 k = 0.2229 0.2229-0.0000 ( 1314 PWs) bands (ev): 0.4459 0.4459 4.8447 4.8447 6.4787 6.4787 8.5070 8.5070 9.4184 9.4184 9.6222 9.6222 11.1752 11.1752 11.5875 11.5875 13.4301 13.4301 15.0080 15.0080 17.5246 17.5246 18.0698 18.0698 k = 0.2169 0.2169-0.0000 ( 1314 PWs) bands (ev): 0.3477 0.3477 4.7795 4.7795 6.4099 6.4099 8.5144 8.5144 9.4788 9.4788 9.6881 9.6881 11.1863 11.1863 11.5453 11.5453 13.5071 13.5071 15.0378 15.0378 17.5800 17.5800 18.2113 18.2113 k = 0.2108 0.2108-0.0000 ( 1314 PWs) bands (ev): 0.2515 0.2515 4.7157 4.7157 6.3399 6.3399 8.5214 8.5214 9.5392 9.5392 9.7576 9.7576 11.1965 11.1965 11.5050 11.5050 13.5873 13.5873 15.0697 15.0697 17.6373 17.6373 18.3531 18.3531 k = 0.2048 0.2048-0.0000 ( 1314 PWs) bands (ev): 0.1573 0.1573 4.6533 4.6533 6.2692 6.2692 8.5280 8.5280 9.5995 9.5995 9.8302 9.8302 11.2057 11.2057 11.4668 11.4668 13.6705 13.6705 15.1036 15.1036 17.6966 17.6966 18.4951 18.4951 k = 0.1988 0.1988-0.0000 ( 1314 PWs) bands (ev): 0.0653 0.0653 4.5924 4.5924 6.1982 6.1982 8.5342 8.5342 9.6596 9.6596 9.9053 9.9053 11.2137 11.2137 11.4307 11.4307 13.7567 13.7567 15.1397 15.1397 17.7580 17.7580 18.6370 18.6370 k = 0.1928 0.1928-0.0000 ( 1308 PWs) bands (ev): -0.0245 -0.0245 4.5330 4.5330 6.1273 6.1273 8.5403 8.5403 9.7195 9.7195 9.9823 9.9823 11.2203 11.2203 11.3972 11.3972 13.8458 13.8458 15.1779 15.1779 17.8215 17.8215 18.7787 18.7787 k = 0.1867 0.1867-0.0000 ( 1312 PWs) bands (ev): -0.1120 -0.1120 4.4751 4.4751 6.0567 6.0567 8.5457 8.5457 9.7789 9.7789 10.0607 10.0607 11.2247 11.2247 11.3666 11.3666 13.9377 13.9377 15.2185 15.2185 17.8871 17.8871 18.9197 18.9197 k = 0.1807 0.1807-0.0000 ( 1316 PWs) bands (ev): -0.1972 -0.1972 4.4188 4.4188 5.9868 5.9868 8.5510 8.5510 9.8378 9.8378 10.1401 10.1401 11.2259 11.2259 11.3400 11.3400 14.0325 14.0325 15.2613 15.2613 17.9550 17.9550 19.0598 19.0598 k = 0.1747 0.1747-0.0000 ( 1322 PWs) bands (ev): -0.2800 -0.2800 4.3641 4.3641 5.9178 5.9178 8.5560 8.5560 9.8962 9.8962 10.2198 10.2198 11.2224 11.2224 11.3191 11.3191 14.1299 14.1299 15.3066 15.3066 18.0252 18.0252 19.1983 19.1983 k = 0.1687 0.1687-0.0000 ( 1322 PWs) bands (ev): -0.3604 -0.3604 4.3110 4.3110 5.8499 5.8499 8.5607 8.5607 9.9538 9.9538 10.2997 10.2997 11.2126 11.2126 11.3055 11.3055 14.2300 14.2300 15.3543 15.3544 18.0978 18.0978 19.3345 19.3345 k = 0.1627 0.1627-0.0000 ( 1324 PWs) bands (ev): -0.4383 -0.4383 4.2595 4.2595 5.7834 5.7834 8.5652 8.5652 10.0105 10.0105 10.3793 10.3793 11.1967 11.1967 11.2988 11.2988 14.3325 14.3325 15.4046 15.4046 18.1727 18.1727 19.4672 19.4672 k = 0.1566 0.1566-0.0000 ( 1324 PWs) bands (ev): -0.5137 -0.5137 4.2098 4.2098 5.7184 5.7184 8.5694 8.5694 10.0664 10.0664 10.4582 10.4582 11.1771 11.1771 11.2969 11.2969 14.4376 14.4376 15.4575 15.4575 18.2502 18.2502 19.5946 19.5946 k = 0.1506 0.1506-0.0000 ( 1324 PWs) bands (ev): -0.5865 -0.5865 4.1617 4.1617 5.6549 5.6549 8.5734 8.5734 10.1212 10.1212 10.5360 10.5360 11.1561 11.1561 11.2973 11.2973 14.5449 14.5449 15.5129 15.5129 18.3302 18.3302 19.7140 19.7140 k = 0.1446 0.1446-0.0000 ( 1324 PWs) bands (ev): -0.6567 -0.6567 4.1153 4.1153 5.5933 5.5933 8.5771 8.5771 10.1748 10.1748 10.6124 10.6124 11.1347 11.1347 11.2990 11.2990 14.6544 14.6544 15.5709 15.5709 18.4127 18.4127 19.8206 19.8206 k = 0.1386 0.1386-0.0000 ( 1322 PWs) bands (ev): -0.7243 -0.7243 4.0708 4.0708 5.5336 5.5336 8.5807 8.5807 10.2272 10.2272 10.6871 10.6871 11.1139 11.1139 11.3013 11.3013 14.7660 14.7660 15.6315 15.6315 18.4979 18.4979 19.9078 19.9078 k = 0.1325 0.1325-0.0000 ( 1316 PWs) bands (ev): -0.7893 -0.7893 4.0279 4.0279 5.4758 5.4758 8.5841 8.5841 10.2783 10.2783 10.7597 10.7597 11.0939 11.0939 11.3039 11.3039 14.8795 14.8795 15.6947 15.6947 18.5857 18.5857 19.9680 19.9680 k = 0.1265 0.1265-0.0000 ( 1324 PWs) bands (ev): -0.8515 -0.8515 3.9869 3.9869 5.4201 5.4201 8.5870 8.5870 10.3278 10.3278 10.8297 10.8297 11.0746 11.0746 11.3066 11.3066 14.9947 14.9947 15.7602 15.7602 18.6763 18.6763 19.9973 19.9973 k = 0.1205 0.1205-0.0000 ( 1324 PWs) bands (ev): -0.9110 -0.9110 3.9476 3.9476 5.3666 5.3666 8.5900 8.5900 10.3758 10.3758 10.8969 10.8969 11.0565 11.0565 11.3096 11.3096 15.1116 15.1116 15.8281 15.8281 18.7695 18.7695 19.9996 19.9996 k = 0.1145 0.1145-0.0000 ( 1323 PWs) bands (ev): -0.9678 -0.9678 3.9102 3.9102 5.3154 5.3154 8.5928 8.5928 10.4221 10.4221 10.9606 10.9606 11.0398 11.0398 11.3129 11.3129 15.2298 15.2298 15.8981 15.8981 18.8654 18.8654 19.9829 19.9829 k = 0.1084 0.1084-0.0000 ( 1319 PWs) bands (ev): -1.0219 -1.0219 3.8746 3.8746 5.2665 5.2665 8.5954 8.5954 10.4667 10.4667 11.0129 11.0129 11.0321 11.0321 11.3168 11.3168 15.3491 15.3491 15.9701 15.9701 18.9641 18.9641 19.9549 19.9549 k = 0.1024 0.1024-0.0000 ( 1315 PWs) bands (ev): -1.0731 -1.0731 3.8408 3.8408 5.2199 5.2199 8.5980 8.5980 10.5093 10.5093 11.0061 11.0061 11.0803 11.0803 11.3218 11.3218 15.4693 15.4693 16.0439 16.0439 19.0654 19.0654 19.9209 19.9209 k = 0.0964 0.0964-0.0000 ( 1315 PWs) bands (ev): -1.1215 -1.1215 3.8089 3.8089 5.1758 5.1758 8.6003 8.6003 10.5500 10.5500 10.9926 10.9926 11.1311 11.1311 11.3286 11.3286 15.5900 15.5900 16.1190 16.1190 19.1693 19.1693 19.8840 19.8840 k = 0.0904 0.0904-0.0000 ( 1315 PWs) bands (ev): -1.1670 -1.1670 3.7789 3.7789 5.1341 5.1341 8.6025 8.6025 10.5886 10.5886 10.9797 10.9797 11.1758 11.1758 11.3384 11.3384 15.7109 15.7109 16.1952 16.1952 19.2757 19.2757 19.8462 19.8462 k = 0.0843 0.0843-0.0000 ( 1311 PWs) bands (ev): -1.2098 -1.2098 3.7507 3.7507 5.0950 5.0950 8.6045 8.6045 10.6250 10.6250 10.9680 10.9680 11.2122 11.2122 11.3533 11.3533 15.8316 15.8316 16.2720 16.2720 19.3846 19.3846 19.8087 19.8087 k = 0.0783 0.0783-0.0000 ( 1313 PWs) bands (ev): -1.2496 -1.2496 3.7245 3.7245 5.0584 5.0584 8.6063 8.6063 10.6591 10.6591 10.9571 10.9571 11.2387 11.2387 11.3744 11.3744 15.9515 15.9515 16.3489 16.3489 19.4957 19.4957 19.7723 19.7723 k = 0.0723 0.0723-0.0000 ( 1311 PWs) bands (ev): -1.2866 -1.2866 3.7001 3.7001 5.0244 5.0244 8.6081 8.6081 10.6908 10.6908 10.9473 10.9473 11.2560 11.2560 11.4013 11.4013 16.0700 16.0700 16.4254 16.4254 19.6088 19.6088 19.7376 19.7376 k = 0.0663 0.0663-0.0000 ( 1311 PWs) bands (ev): -1.3206 -1.3206 3.6777 3.6777 4.9930 4.9930 8.6096 8.6096 10.7201 10.7201 10.9385 10.9385 11.2667 11.2667 11.4312 11.4312 16.1865 16.1865 16.5009 16.5009 19.7049 19.7049 19.7236 19.7236 k = 0.0602 0.0602-0.0000 ( 1311 PWs) bands (ev): -1.3517 -1.3517 3.6572 3.6572 4.9643 4.9643 8.6110 8.6110 10.7467 10.7467 10.9309 10.9309 11.2734 11.2734 11.4615 11.4615 16.3000 16.3000 16.5745 16.5745 19.6745 19.6745 19.8395 19.8395 k = 0.0542 0.0542-0.0000 ( 1315 PWs) bands (ev): -1.3799 -1.3799 3.6386 3.6386 4.9382 4.9382 8.6122 8.6122 10.7706 10.7706 10.9243 10.9243 11.2777 11.2777 11.4906 11.4906 16.4096 16.4096 16.6457 16.6457 19.6466 19.6466 19.9562 19.9562 k = 0.0482 0.0482-0.0000 ( 1315 PWs) bands (ev): -1.4052 -1.4052 3.6220 3.6220 4.9149 4.9149 8.6133 8.6133 10.7917 10.7917 10.9190 10.9190 11.2805 11.2805 11.5175 11.5175 16.5139 16.5139 16.7136 16.7136 19.6214 19.6214 20.0726 20.0726 k = 0.0422 0.0422-0.0000 ( 1319 PWs) bands (ev): -1.4275 -1.4275 3.6073 3.6073 4.8942 4.8942 8.6144 8.6144 10.8096 10.8096 10.9149 10.9149 11.2825 11.2825 11.5417 11.5417 16.6116 16.6116 16.7776 16.7776 19.5989 19.5989 20.1877 20.1877 k = 0.0361 0.0361-0.0000 ( 1319 PWs) bands (ev): -1.4469 -1.4469 3.5945 3.5945 4.8762 4.8762 8.6153 8.6153 10.8243 10.8243 10.9125 10.9125 11.2838 11.2838 11.5631 11.5631 16.7006 16.7006 16.8367 16.8367 19.5792 19.5792 20.2998 20.2998 k = 0.0301 0.0301-0.0000 ( 1315 PWs) bands (ev): -1.4633 -1.4633 3.5837 3.5837 4.8610 4.8610 8.6161 8.6161 10.8357 10.8357 10.9117 10.9117 11.2848 11.2848 11.5813 11.5813 16.7791 16.7791 16.8906 16.8906 19.5625 19.5625 20.4066 20.4066 k = 0.0241 0.0241-0.0000 ( 1315 PWs) bands (ev): -1.4767 -1.4767 3.5749 3.5749 4.8486 4.8486 8.6167 8.6167 10.8438 10.8438 10.9122 10.9122 11.2855 11.2855 11.5963 11.5963 16.8447 16.8447 16.9385 16.9385 19.5488 19.5488 20.4816 20.4816 k = 0.0181 0.0181-0.0000 ( 1315 PWs) bands (ev): -1.4871 -1.4871 3.5680 3.5680 4.8389 4.8389 8.6172 8.6172 10.8491 10.8491 10.9136 10.9136 11.2859 11.2859 11.6080 11.6080 16.8958 16.8958 16.9794 16.9794 19.5381 19.5381 20.4146 20.4146 k = 0.0120 0.0120-0.0000 ( 1317 PWs) bands (ev): -1.4946 -1.4946 3.5631 3.5631 4.8319 4.8319 8.6176 8.6176 10.8522 10.8522 10.9153 10.9153 11.2861 11.2861 11.6164 11.6164 16.9315 16.9315 17.0115 17.0115 19.5304 19.5304 20.3648 20.3648 k = 0.0060 0.0060-0.0000 ( 1317 PWs) bands (ev): -1.4991 -1.4991 3.5602 3.5602 4.8278 4.8278 8.6178 8.6178 10.8538 10.8538 10.9166 10.9166 11.2863 11.2863 11.6214 11.6214 16.9525 16.9525 17.0322 17.0322 19.5258 19.5258 20.3342 20.3342 k = 0.0000 0.0000 0.0000 ( 1317 PWs) bands (ev): -1.5006 -1.5006 3.5592 3.5592 4.8264 4.8264 8.6179 8.6179 10.8542 10.8542 10.9170 10.9170 11.2864 11.2864 11.6232 11.6232 16.9594 16.9594 17.0393 17.0393 19.5243 19.5243 20.3239 20.3239 k = 0.0000 0.0000 0.0000 ( 1317 PWs) bands (ev): -1.5006 -1.5006 3.5592 3.5592 4.8264 4.8264 8.6179 8.6179 10.8542 10.8542 10.9170 10.9170 11.2864 11.2864 11.6232 11.6232 16.9594 16.9594 17.0393 17.0393 19.5243 19.5243 20.3239 20.3239 k = 0.0000 0.0000 0.0085 ( 1313 PWs) bands (ev): -1.4993 -1.4993 3.5416 3.5416 4.8456 4.8456 8.6179 8.6179 10.8542 10.8542 10.9170 10.9170 11.2864 11.2864 11.6231 11.6231 16.9607 16.9607 17.0406 17.0406 19.4904 19.4904 20.3158 20.3158 k = 0.0000 0.0000 0.0171 ( 1313 PWs) bands (ev): -1.4957 -1.4957 3.4916 3.4916 4.9001 4.9001 8.6180 8.6180 10.8540 10.8540 10.9167 10.9167 11.2861 11.2861 11.6231 11.6231 16.9644 16.9644 17.0444 17.0444 19.3969 19.3969 20.2934 20.2934 k = 0.0000 0.0000 0.0256 ( 1313 PWs) bands (ev): -1.4896 -1.4896 3.4163 3.4163 4.9830 4.9830 8.6182 8.6182 10.8535 10.8535 10.9162 10.9162 11.2856 11.2856 11.6231 11.6231 16.9706 16.9706 17.0507 17.0507 19.2611 19.2611 20.2606 20.2606 k = 0.0000 0.0000 0.0342 ( 1313 PWs) bands (ev): -1.4811 -1.4811 3.3229 3.3229 5.0869 5.0869 8.6185 8.6185 10.8529 10.8529 10.9156 10.9156 11.2848 11.2848 11.6231 11.6231 16.9793 16.9793 17.0595 17.0595 19.0981 19.0981 20.2211 20.2211 k = 0.0000 0.0000 0.0427 ( 1313 PWs) bands (ev): -1.4702 -1.4702 3.2176 3.2176 5.2057 5.2057 8.6188 8.6188 10.8522 10.8522 10.9147 10.9147 11.2837 11.2837 11.6231 11.6231 16.9904 16.9904 17.0707 17.0707 18.9181 18.9181 20.1775 20.1775 k = 0.0000 0.0000 0.0512 ( 1309 PWs) bands (ev): -1.4569 -1.4569 3.1048 3.1048 5.3350 5.3350 8.6193 8.6193 10.8514 10.8514 10.9138 10.9138 11.2824 11.2824 11.6231 11.6231 17.0038 17.0038 17.0844 17.0844 18.7276 18.7276 20.1317 20.1317 k = 0.0000 0.0000 0.0598 ( 1309 PWs) bands (ev): -1.4413 -1.4413 2.9873 2.9873 5.4716 5.4716 8.6198 8.6198 10.8503 10.8503 10.9127 10.9127 11.2808 11.2808 11.6231 11.6231 17.0195 17.0195 17.1003 17.1003 18.5305 18.5305 20.0848 20.0848 k = 0.0000 0.0000 0.0683 ( 1313 PWs) bands (ev): -1.4234 -1.4234 2.8672 2.8672 5.6135 5.6135 8.6203 8.6203 10.8491 10.8491 10.9113 10.9113 11.2789 11.2789 11.6231 11.6231 17.0374 17.0374 17.1186 17.1186 18.3295 18.3295 20.0375 20.0375 k = 0.0000 0.0000 0.0769 ( 1313 PWs) bands (ev): -1.4032 -1.4032 2.7460 2.7460 5.7591 5.7591 8.6209 8.6209 10.8478 10.8478 10.9099 10.9099 11.2767 11.2767 11.6231 11.6231 17.0574 17.0574 17.1390 17.1390 18.1264 18.1264 19.9905 19.9905 k = 0.0000 0.0000 0.0854 ( 1313 PWs) bands (ev): -1.3809 -1.3809 2.6246 2.6246 5.9072 5.9072 8.6215 8.6215 10.8464 10.8464 10.9083 10.9083 11.2741 11.2741 11.6231 11.6231 17.0794 17.0794 17.1615 17.1615 17.9228 17.9228 19.9440 19.9440 k = 0.0000 0.0000 0.0939 ( 1329 PWs) bands (ev): -1.3564 -1.3564 2.5039 2.5039 6.0569 6.0569 8.6219 8.6219 10.8447 10.8447 10.9064 10.9064 11.2711 11.2711 11.6231 11.6231 17.1030 17.1030 17.1859 17.1859 17.7200 17.7200 19.8983 19.8983 k = 0.0000 0.0000 0.1025 ( 1333 PWs) bands (ev): -1.3299 -1.3299 2.3844 2.3844 6.2074 6.2074 8.6226 8.6226 10.8430 10.8430 10.9045 10.9045 11.2677 11.2677 11.6230 11.6230 17.1279 17.1279 17.2122 17.2122 17.5193 17.5193 19.8539 19.8539 k = 0.0000 0.0000 0.1110 ( 1333 PWs) bands (ev): -1.3015 -1.3015 2.2667 2.2667 6.3581 6.3581 8.6234 8.6234 10.8415 10.8415 10.9027 10.9027 11.2639 11.2639 11.6230 11.6230 17.1513 17.1513 17.2401 17.2401 17.3239 17.3239 19.8108 19.8108 k = 0.0000 0.0000 0.1196 ( 1333 PWs) bands (ev): -1.2712 -1.2712 2.1510 2.1510 6.5082 6.5082 8.6242 8.6242 10.8399 10.8399 10.9009 10.9009 11.2595 11.2595 11.6230 11.6230 17.1059 17.1059 17.2021 17.2021 17.2695 17.2695 19.7692 19.7692 k = 0.0000 0.0000 0.1281 ( 1333 PWs) bands (ev): -1.2393 -1.2393 2.0379 2.0379 6.6571 6.6571 8.6250 8.6250 10.8383 10.8383 10.8990 10.8990 11.2546 11.2546 11.6231 11.6231 16.9241 16.9241 17.2220 17.2220 17.3003 17.3003 19.7293 19.7293 k = 0.0000 0.0000 0.1367 ( 1333 PWs) bands (ev): -1.2058 -1.2058 1.9276 1.9276 6.8041 6.8041 8.6257 8.6257 10.8368 10.8368 10.8971 10.8971 11.2491 11.2491 11.6231 11.6231 16.7384 16.7384 17.2516 17.2516 17.3320 17.3320 19.6912 19.6912 k = 0.0000 0.0000 0.1452 ( 1321 PWs) bands (ev): -1.1710 -1.1710 1.8204 1.8204 6.9487 6.9487 8.6267 8.6267 10.8354 10.8354 10.8955 10.8955 11.2431 11.2431 11.6233 11.6233 16.5572 16.5572 17.2831 17.2831 17.3647 17.3647 19.6551 19.6551 k = 0.0000 0.0000 0.1537 ( 1321 PWs) bands (ev): -1.1352 -1.1352 1.7168 1.7168 7.0899 7.0899 8.6275 8.6275 10.8339 10.8339 10.8936 10.8936 11.2364 11.2364 11.6233 11.6233 16.3822 16.3822 17.3154 17.3154 17.3978 17.3978 19.6210 19.6210 k = 0.0000 0.0000 0.1623 ( 1321 PWs) bands (ev): -1.0985 -1.0985 1.6171 1.6171 7.2271 7.2271 8.6282 8.6282 10.8326 10.8326 10.8919 10.8919 11.2292 11.2292 11.6233 11.6233 16.2144 16.2144 17.3481 17.3481 17.4312 17.4312 19.5891 19.5891 k = 0.0000 0.0000 0.1708 ( 1321 PWs) bands (ev): -1.0613 -1.0613 1.5217 1.5217 7.3594 7.3594 8.6290 8.6290 10.8313 10.8313 10.8901 10.8901 11.2213 11.2213 11.6233 11.6233 16.0547 16.0547 17.3806 17.3806 17.4645 17.4645 19.5594 19.5594 k = 0.0000 0.0000 0.1794 ( 1325 PWs) bands (ev): -1.0240 -1.0240 1.4311 1.4311 7.4858 7.4858 8.6296 8.6296 10.8301 10.8301 10.8884 10.8884 11.2130 11.2130 11.6234 11.6234 15.9042 15.9042 17.4127 17.4127 17.4972 17.4972 19.5320 19.5320 k = 0.0000 0.0000 0.1879 ( 1329 PWs) bands (ev): -0.9871 -0.9871 1.3457 1.3457 7.6053 7.6053 8.6303 8.6303 10.8290 10.8290 10.8869 10.8869 11.2041 11.2041 11.6234 11.6234 15.7637 15.7637 17.4439 17.4439 17.5291 17.5291 19.5070 19.5070 k = 0.0000 0.0000 0.1964 ( 1328 PWs) bands (ev): -0.9510 -0.9510 1.2662 1.2662 7.7169 7.7169 8.6309 8.6309 10.8281 10.8281 10.8855 10.8855 11.1951 11.1951 11.6234 11.6234 15.6344 15.6344 17.4737 17.4737 17.5595 17.5595 19.4845 19.4845 k = 0.0000 0.0000 0.2050 ( 1328 PWs) bands (ev): -0.9164 -0.9164 1.1932 1.1932 7.8194 7.8194 8.6314 8.6314 10.8274 10.8274 10.8842 10.8842 11.1860 11.1860 11.6234 11.6234 15.5173 15.5173 17.5017 17.5017 17.5880 17.5880 19.4645 19.4645 k = 0.0000 0.0000 0.2135 ( 1328 PWs) bands (ev): -0.8840 -0.8840 1.1275 1.1275 7.9116 7.9116 8.6319 8.6319 10.8268 10.8268 10.8831 10.8831 11.1771 11.1771 11.6234 11.6234 15.4132 15.4132 17.5273 17.5273 17.6142 17.6142 19.4471 19.4471 k = 0.0000 0.0000 0.2221 ( 1328 PWs) bands (ev): -0.8546 -0.8546 1.0698 1.0698 7.9924 7.9924 8.6323 8.6323 10.8264 10.8264 10.8821 10.8821 11.1687 11.1687 11.6234 11.6234 15.3232 15.3232 17.5500 17.5500 17.6375 17.6375 19.4323 19.4323 k = 0.0000 0.0000 0.2306 ( 1332 PWs) bands (ev): -0.8289 -0.8289 1.0209 1.0209 8.0604 8.0604 8.6327 8.6327 10.8260 10.8260 10.8812 10.8812 11.1611 11.1611 11.6234 11.6234 15.2482 15.2482 17.5695 17.5695 17.6574 17.6574 19.4201 19.4201 k = 0.0000 0.0000 0.2391 ( 1332 PWs) bands (ev): -0.8078 -0.8078 0.9818 0.9818 8.1147 8.1147 8.6330 8.6330 10.8258 10.8258 10.8806 10.8806 11.1547 11.1547 11.6234 11.6234 15.1889 15.1889 17.5851 17.5851 17.6734 17.6734 19.4106 19.4106 k = 0.0000 0.0000 0.2477 ( 1324 PWs) bands (ev): -0.7921 -0.7921 0.9532 0.9532 8.1543 8.1543 8.6332 8.6332 10.8258 10.8258 10.8802 10.8802 11.1499 11.1499 11.6234 11.6234 15.1462 15.1462 17.5966 17.5966 17.6851 17.6851 19.4038 19.4038 k = 0.0000 0.0000 0.2562 ( 1316 PWs) bands (ev): -0.7824 -0.7824 0.9358 0.9358 8.1784 8.1784 8.6333 8.6333 10.8259 10.8259 10.8801 10.8801 11.1469 11.1469 11.6234 11.6234 15.1204 15.1204 17.6036 17.6036 17.6923 17.6923 19.3997 19.3997 k = 0.0000 0.0000 0.2648 ( 1316 PWs) bands (ev): -0.7791 -0.7791 0.9299 0.9299 8.1864 8.1864 8.6333 8.6333 10.8259 10.8259 10.8800 10.8800 11.1458 11.1458 11.6234 11.6234 15.1117 15.1117 17.6060 17.6060 17.6947 17.6947 19.3983 19.3983 k = 0.0000 0.0000 0.2648 ( 1316 PWs) bands (ev): -0.7791 -0.7791 0.9299 0.9299 8.1864 8.1864 8.6333 8.6333 10.8259 10.8259 10.8800 10.8800 11.1458 11.1458 11.6234 11.6234 15.1117 15.1117 17.6060 17.6060 17.6947 17.6947 19.3983 19.3983 k = 0.0000 0.0085 0.2648 ( 1316 PWs) bands (ev): -0.7776 -0.7776 0.9311 0.9311 8.1874 8.1874 8.6333 8.6333 10.8204 10.8204 10.8748 10.8748 11.1562 11.1562 11.6218 11.6218 15.1116 15.1116 17.6007 17.6007 17.6905 17.6905 19.3576 19.3576 k = 0.0000 0.0169 0.2648 ( 1316 PWs) bands (ev): -0.7731 -0.7731 0.9348 0.9348 8.1904 8.1904 8.6333 8.6333 10.8006 10.8006 10.8664 10.8664 11.1837 11.1837 11.6169 11.6169 15.1113 15.1113 17.5782 17.5782 17.6847 17.6847 19.2526 19.2526 k = 0.0000 0.0254 0.2648 ( 1320 PWs) bands (ev): -0.7656 -0.7656 0.9410 0.9410 8.1954 8.1954 8.6332 8.6332 10.7656 10.7656 10.8622 10.8622 11.2214 11.2214 11.6088 11.6088 15.1107 15.1107 17.5290 17.5290 17.6882 17.6882 19.1104 19.1104 k = 0.0000 0.0339 0.2648 ( 1320 PWs) bands (ev): -0.7551 -0.7551 0.9496 0.9496 8.2024 8.2024 8.6331 8.6331 10.7212 10.7212 10.8616 10.8616 11.2646 11.2646 11.5975 11.5975 15.1099 15.1099 17.4538 17.4538 17.7024 17.7024 18.9480 18.9480 k = 0.0000 0.0424 0.2648 ( 1320 PWs) bands (ev): -0.7417 -0.7417 0.9607 0.9607 8.2114 8.2114 8.6328 8.6328 10.6715 10.6715 10.8630 10.8630 11.3103 11.3103 11.5832 11.5832 15.1089 15.1089 17.3573 17.3573 17.7245 17.7245 18.7742 18.7742 k = 0.0000 0.0508 0.2648 ( 1316 PWs) bands (ev): -0.7252 -0.7252 0.9742 0.9742 8.2223 8.2223 8.6324 8.6324 10.6189 10.6189 10.8655 10.8655 11.3571 11.3571 11.5662 11.5662 15.1075 15.1075 17.2437 17.2437 17.7531 17.7531 18.5936 18.5936 k = 0.0000 0.0593 0.2648 ( 1318 PWs) bands (ev): -0.7058 -0.7058 0.9902 0.9902 8.2351 8.2351 8.6316 8.6316 10.5642 10.5642 10.8689 10.8689 11.4038 11.4038 11.5462 11.5462 15.1059 15.1059 17.1159 17.1159 17.7875 17.7875 18.4092 18.4092 k = 0.0000 0.0678 0.2648 ( 1318 PWs) bands (ev): -0.6833 -0.6833 1.0086 1.0086 8.2498 8.2498 8.6306 8.6306 10.5084 10.5084 10.8730 10.8730 11.4496 11.4496 11.5239 11.5239 15.1038 15.1038 16.9766 16.9766 17.8273 17.8273 18.2228 18.2228 k = 0.0000 0.0763 0.2648 ( 1322 PWs) bands (ev): -0.6580 -0.6580 1.0294 1.0294 8.2663 8.2663 8.6291 8.6291 10.4515 10.4515 10.8776 10.8776 11.4859 11.4859 11.5074 11.5074 15.1014 15.1014 16.8283 16.8283 17.8723 17.8723 18.0360 18.0360 k = 0.0000 0.0847 0.2648 ( 1326 PWs) bands (ev): -0.6296 -0.6296 1.0527 1.0527 8.2845 8.2845 8.6271 8.6271 10.3939 10.3939 10.8828 10.8828 11.4671 11.4671 11.5421 11.5421 15.0985 15.0985 16.6729 16.6729 17.8500 17.8500 17.9222 17.9222 k = 0.0000 0.0932 0.2648 ( 1326 PWs) bands (ev): -0.5984 -0.5984 1.0784 1.0784 8.3045 8.3045 8.6246 8.6246 10.3358 10.3358 10.8886 10.8886 11.4377 11.4377 11.5835 11.5835 15.0949 15.0949 16.5123 16.5123 17.6659 17.6659 17.9768 17.9768 k = 0.0000 0.1017 0.2648 ( 1330 PWs) bands (ev): -0.5642 -0.5642 1.1065 1.1065 8.3259 8.3259 8.6213 8.6213 10.2771 10.2771 10.8949 10.8949 11.4056 11.4056 11.6231 11.6231 15.0906 15.0906 16.3482 16.3482 17.4846 17.4846 18.0358 18.0358 k = 0.0000 0.1102 0.2648 ( 1330 PWs) bands (ev): -0.5270 -0.5270 1.1370 1.1370 8.3487 8.3487 8.6175 8.6175 10.2180 10.2180 10.9017 10.9017 11.3716 11.3716 11.6602 11.6602 15.0852 15.0852 16.1822 16.1822 17.3069 17.3069 18.0992 18.0992 k = 0.0000 0.1186 0.2648 ( 1326 PWs) bands (ev): -0.4870 -0.4870 1.1699 1.1699 8.3726 8.3726 8.6130 8.6130 10.1585 10.1585 10.9091 10.9091 11.3359 11.3359 11.6942 11.6942 15.0786 15.0786 16.0156 16.0156 17.1339 17.1339 18.1668 18.1668 k = 0.0000 0.1271 0.2648 ( 1326 PWs) bands (ev): -0.4441 -0.4441 1.2051 1.2051 8.3969 8.3969 8.6081 8.6081 10.0987 10.0987 10.9169 10.9169 11.2985 11.2985 11.7246 11.7246 15.0699 15.0699 15.8502 15.8502 16.9663 16.9663 18.2383 18.2383 k = 0.0000 0.1356 0.2648 ( 1326 PWs) bands (ev): -0.3983 -0.3983 1.2427 1.2427 8.4208 8.4208 8.6034 8.6034 10.0385 10.0385 10.9250 10.9250 11.2598 11.2598 11.7509 11.7509 15.0579 15.0579 15.6882 15.6882 16.8051 16.8051 18.3137 18.3137 k = 0.0000 0.1441 0.2648 ( 1324 PWs) bands (ev): -0.3496 -0.3496 1.2827 1.2827 8.4424 8.4424 8.6005 8.6005 9.9779 9.9779 10.9335 10.9335 11.2200 11.2200 11.7726 11.7726 15.0404 15.0404 15.5326 15.5326 16.6511 16.6511 18.3926 18.3926 k = 0.0000 0.1525 0.2648 ( 1324 PWs) bands (ev): -0.2981 -0.2981 1.3249 1.3249 8.4588 8.4588 8.6021 8.6021 9.9169 9.9169 10.9422 10.9422 11.1793 11.1793 11.7892 11.7892 15.0116 15.0116 15.3899 15.3899 16.5051 16.5051 18.4750 18.4750 k = 0.0000 0.1610 0.2648 ( 1324 PWs) bands (ev): -0.2438 -0.2438 1.3695 1.3695 8.4659 8.4659 8.6117 8.6117 9.8554 9.8554 10.9510 10.9510 11.1381 11.1381 11.7999 11.7999 14.9603 14.9603 15.2719 15.2719 16.3681 16.3681 18.5608 18.5608 k = 0.0000 0.1695 0.2648 ( 1326 PWs) bands (ev): -0.1868 -0.1868 1.4163 1.4163 8.4620 8.4620 8.6308 8.6308 9.7934 9.7934 10.9595 10.9595 11.0967 11.0967 11.8043 11.8043 14.8741 14.8741 15.1917 15.1917 16.2409 16.2409 18.6497 18.6497 k = 0.0000 0.1780 0.2648 ( 1326 PWs) bands (ev): -0.1269 -0.1269 1.4654 1.4654 8.4480 8.4480 8.6580 8.6580 9.7308 9.7308 10.9664 10.9664 11.0568 11.0568 11.8018 11.8018 14.7576 14.7576 15.1454 15.1454 16.1244 16.1244 18.7416 18.7416 k = 0.0000 0.1864 0.2648 ( 1326 PWs) bands (ev): -0.0643 -0.0643 1.5167 1.5167 8.4262 8.4262 8.6908 8.6908 9.6676 9.6676 10.9667 10.9667 11.0234 11.0234 11.7920 11.7920 14.6267 14.6267 15.1176 15.1176 16.0192 16.0192 18.8364 18.8364 k = 0.0000 0.1949 0.2648 ( 1324 PWs) bands (ev): 0.0010 0.0010 1.5702 1.5702 8.3980 8.3980 8.7274 8.7274 9.6038 9.6038 10.9460 10.9460 11.0110 11.0110 11.7745 11.7745 14.4920 14.4920 15.0980 15.0980 15.9260 15.9260 18.9339 18.9339 k = 0.0000 0.2034 0.2648 ( 1320 PWs) bands (ev): 0.0690 0.0690 1.6258 1.6258 8.3640 8.3640 8.7666 8.7666 9.5391 9.5391 10.9088 10.9088 11.0153 11.0153 11.7490 11.7490 14.3586 14.3586 15.0821 15.0821 15.8453 15.8453 19.0341 19.0341 k = 0.0000 0.2119 0.2648 ( 1316 PWs) bands (ev): 0.1397 0.1397 1.6836 1.6836 8.3244 8.3244 8.8079 8.8079 9.4736 9.4736 10.8673 10.8673 11.0242 11.0242 11.7156 11.7156 14.2289 14.2289 15.0679 15.0679 15.7775 15.7775 19.1367 19.1367 k = 0.0000 0.2203 0.2648 ( 1314 PWs) bands (ev): 0.2130 0.2130 1.7434 1.7434 8.2792 8.2792 8.8509 8.8509 9.4070 9.4070 10.8246 10.8246 11.0346 11.0346 11.6742 11.6742 14.1044 14.1044 15.0544 15.0544 15.7227 15.7227 19.2417 19.2417 k = 0.0000 0.2288 0.2648 ( 1318 PWs) bands (ev): 0.2888 0.2888 1.8053 1.8053 8.2284 8.2284 8.8953 8.8953 9.3391 9.3391 10.7815 10.7815 11.0455 11.0455 11.6254 11.6254 13.9859 13.9859 15.0409 15.0409 15.6809 15.6809 19.3490 19.3490 k = 0.0000 0.2373 0.2648 ( 1314 PWs) bands (ev): 0.3672 0.3672 1.8692 1.8692 8.1721 8.1721 8.9409 8.9409 9.2702 9.2702 10.7387 10.7387 11.0569 11.0569 11.5695 11.5695 13.8740 13.8740 15.0271 15.0271 15.6518 15.6518 19.4585 19.4585 k = 0.0000 0.2458 0.2648 ( 1314 PWs) bands (ev): 0.4482 0.4482 1.9350 1.9350 8.1097 8.1097 8.9874 8.9874 9.2000 9.2000 10.6962 10.6962 11.0685 11.0685 11.5072 11.5072 13.7691 13.7691 15.0128 15.0128 15.6351 15.6351 19.5700 19.5700 k = 0.0000 0.2542 0.2648 ( 1318 PWs) bands (ev): 0.5315 0.5315 2.0027 2.0027 8.0416 8.0416 9.0339 9.0339 9.1292 9.1292 10.6539 10.6539 11.0802 11.0802 11.4395 11.4395 13.6715 13.6715 14.9979 14.9979 15.6302 15.6302 19.6836 19.6836 k = 0.0000 0.2627 0.2648 ( 1318 PWs) bands (ev): 0.6173 0.6173 2.0723 2.0723 7.9675 7.9675 9.0477 9.0477 9.0900 9.0900 10.6124 10.6124 11.0920 11.0920 11.3671 11.3671 13.5814 13.5814 14.9823 14.9823 15.6366 15.6366 19.7990 19.7990 k = 0.0000 0.2712 0.2648 ( 1314 PWs) bands (ev): 0.7055 0.7055 2.1435 2.1435 7.8877 7.8877 8.9765 8.9765 9.1349 9.1349 10.5718 10.5718 11.1039 11.1039 11.2911 11.2911 13.4988 13.4988 14.9658 14.9658 15.6536 15.6536 19.9162 19.9162 k = 0.0000 0.2797 0.2648 ( 1312 PWs) bands (ev): 0.7959 0.7959 2.2165 2.2165 7.8021 7.8021 8.8996 8.8996 9.1839 9.1839 10.5319 10.5319 11.1155 11.1155 11.2126 11.2126 13.4238 13.4238 14.9485 14.9485 15.6804 15.6804 20.0351 20.0351 k = 0.0000 0.2881 0.2648 ( 1312 PWs) bands (ev): 0.8886 0.8886 2.2910 2.2910 7.7109 7.7109 8.8204 8.8204 9.2336 9.2336 10.4929 10.4929 11.1236 11.1236 11.1360 11.1360 13.3562 13.3562 14.9302 14.9302 15.7163 15.7163 20.1557 20.1557 k = 0.0000 0.2966 0.2648 ( 1308 PWs) bands (ev): 0.9835 0.9835 2.3670 2.3670 7.6145 7.6145 8.7389 8.7389 9.2836 9.2836 10.4549 10.4549 11.0504 11.0504 11.1399 11.1399 13.2958 13.2958 14.9110 14.9110 15.7607 15.7607 20.2778 20.2778 k = 0.0000 0.3051 0.2648 ( 1308 PWs) bands (ev): 1.0804 1.0804 2.4444 2.4444 7.5129 7.5129 8.6553 8.6553 9.3337 9.3337 10.4179 10.4179 10.9697 10.9697 11.1512 11.1512 13.2425 13.2425 14.8908 14.8908 15.8128 15.8128 20.4014 20.4014 k = 0.0000 0.3136 0.2648 ( 1304 PWs) bands (ev): 1.1794 1.1794 2.5230 2.5230 7.4066 7.4066 8.5695 8.5695 9.3837 9.3837 10.3821 10.3821 10.8899 10.8899 11.1627 11.1627 13.1958 13.1958 14.8697 14.8697 15.8721 15.8721 20.5263 20.5263 k = 0.0000 0.3220 0.2648 ( 1304 PWs) bands (ev): 1.2803 1.2803 2.6028 2.6028 7.2959 7.2959 8.4816 8.4816 9.4335 9.4335 10.3474 10.3474 10.8116 10.8116 11.1738 11.1738 13.1556 13.1556 14.8477 14.8477 15.9380 15.9380 20.6525 20.6525 k = 0.0000 0.3305 0.2648 ( 1306 PWs) bands (ev): 1.3830 1.3830 2.6835 2.6835 7.1812 7.1812 8.3918 8.3918 9.4827 9.4827 10.3139 10.3139 10.7357 10.7357 11.1848 11.1848 13.1214 13.1214 14.8249 14.8249 16.0100 16.0100 20.7799 20.7799 k = 0.0000 0.3390 0.2648 ( 1302 PWs) bands (ev): 1.4874 1.4874 2.7650 2.7650 7.0631 7.0631 8.3002 8.3002 9.5314 9.5314 10.2818 10.2818 10.6625 10.6625 11.1954 11.1954 13.0928 13.0928 14.8013 14.8013 16.0876 16.0876 20.9084 20.9084 k = 0.0000 0.3475 0.2648 ( 1302 PWs) bands (ev): 1.5933 1.5933 2.8470 2.8470 6.9418 6.9418 8.2070 8.2070 9.5792 9.5792 10.2510 10.2510 10.5925 10.5925 11.2058 11.2058 13.0693 13.0693 14.7770 14.7770 16.1705 16.1705 21.0364 21.0366 k = 0.0000 0.3559 0.2648 ( 1308 PWs) bands (ev): 1.7006 1.7006 2.9294 2.9294 6.8179 6.8179 8.1126 8.1126 9.6261 9.6261 10.2217 10.2217 10.5260 10.5260 11.2158 11.2158 13.0505 13.0505 14.7521 14.7521 16.2581 16.2581 20.8868 20.8868 k = 0.0000 0.3644 0.2648 ( 1308 PWs) bands (ev): 1.8091 1.8091 3.0119 3.0119 6.6920 6.6920 8.0174 8.0174 9.6717 9.6717 10.1938 10.1938 10.4633 10.4633 11.2254 11.2254 13.0360 13.0360 14.7267 14.7267 16.3504 16.3504 20.7331 20.7331 k = 0.0000 0.3729 0.2648 ( 1304 PWs) bands (ev): 1.9186 1.9186 3.0941 3.0941 6.5646 6.5646 7.9219 7.9219 9.7160 9.7160 10.1674 10.1674 10.4046 10.4046 11.2347 11.2347 13.0253 13.0253 14.7010 14.7010 16.4469 16.4469 20.5772 20.5772 k = 0.0000 0.3814 0.2648 ( 1304 PWs) bands (ev): 2.0289 2.0289 3.1758 3.1758 6.4361 6.4361 7.8265 7.8265 9.7586 9.7586 10.1425 10.1425 10.3500 10.3500 11.2435 11.2435 13.0180 13.0180 14.6752 14.6752 16.5474 16.5474 20.4200 20.4200 k = 0.0000 0.3898 0.2648 ( 1300 PWs) bands (ev): 2.1395 2.1395 3.2565 3.2565 6.3074 6.3074 7.7318 7.7318 9.7994 9.7994 10.1192 10.1192 10.2995 10.2995 11.2519 11.2519 13.0138 13.0138 14.6495 14.6495 16.6517 16.6517 20.2621 20.2621 k = 0.0000 0.3983 0.2648 ( 1300 PWs) bands (ev): 2.2501 2.2501 3.3358 3.3358 6.1789 6.1789 7.6386 7.6386 9.8380 9.8380 10.0975 10.0975 10.2532 10.2532 11.2597 11.2597 13.0120 13.0120 14.6241 14.6241 16.7596 16.7596 20.1039 20.1039 k = 0.0000 0.4068 0.2648 ( 1296 PWs) bands (ev): 2.3602 2.3602 3.4131 3.4131 6.0514 6.0514 7.5475 7.5475 9.8743 9.8743 10.0775 10.0775 10.2112 10.2112 11.2670 11.2670 13.0124 13.0124 14.5991 14.5991 16.8709 16.8709 19.9458 19.9458 k = 0.0000 0.4153 0.2648 ( 1300 PWs) bands (ev): 2.4693 2.4693 3.4879 3.4879 5.9258 5.9258 7.4593 7.4593 9.9077 9.9077 10.0591 10.0591 10.1734 10.1734 11.2738 11.2738 13.0143 13.0143 14.5750 14.5750 16.9854 16.9854 19.7882 19.7882 k = 0.0000 0.4237 0.2648 ( 1296 PWs) bands (ev): 2.5765 2.5765 3.5595 3.5595 5.8030 5.8030 7.3749 7.3749 9.9380 9.9380 10.0428 10.0428 10.1400 10.1400 11.2800 11.2800 13.0176 13.0176 14.5519 14.5519 17.1031 17.1031 19.6314 19.6314 k = 0.0000 0.4322 0.2648 ( 1294 PWs) bands (ev): 2.6810 2.6810 3.6272 3.6272 5.6841 5.6841 7.2953 7.2953 9.9636 9.9636 10.0293 10.0293 10.1112 10.1112 11.2856 11.2856 13.0218 13.0218 14.5302 14.5302 17.2237 17.2237 19.4755 19.4755 k = 0.0000 0.4407 0.2648 ( 1294 PWs) bands (ev): 2.7815 2.7815 3.6901 3.6901 5.5705 5.5705 7.2214 7.2214 9.9814 9.9814 10.0210 10.0210 10.0876 10.0876 11.2906 11.2906 13.0266 13.0266 14.5101 14.5101 17.3471 17.3471 19.3209 19.3209 k = 0.0000 0.4492 0.2648 ( 1298 PWs) bands (ev): 2.8765 2.8765 3.7472 3.7472 5.4639 5.4639 7.1543 7.1543 9.9849 9.9849 10.0218 10.0218 10.0715 10.0715 11.2949 11.2949 13.0315 13.0315 14.4919 14.4919 17.4732 17.4732 19.1675 19.1675 k = 0.0000 0.4576 0.2648 ( 1298 PWs) bands (ev): 2.9641 2.9641 3.7979 3.7979 5.3663 5.3663 7.0951 7.0951 9.9790 9.9790 10.0219 10.0219 10.0676 10.0676 11.2986 11.2986 13.0363 13.0363 14.4759 14.4759 17.6020 17.6020 19.0156 19.0156 k = 0.0000 0.4661 0.2648 ( 1302 PWs) bands (ev): 3.0418 3.0418 3.8409 3.8409 5.2802 5.2802 7.0448 7.0448 9.9715 9.9715 10.0150 10.0150 10.0743 10.0743 11.3017 11.3017 13.0406 13.0406 14.4625 14.4625 17.7334 17.7334 18.8653 18.8653 k = 0.0000 0.4746 0.2648 ( 1302 PWs) bands (ev): 3.1070 3.1070 3.8755 3.8755 5.2084 5.2084 7.0045 7.0045 9.9648 9.9648 10.0070 10.0070 10.0833 10.0833 11.3041 11.3041 13.0442 13.0442 14.4517 14.4517 17.8672 17.8672 18.7168 18.7168 k = 0.0000 0.4831 0.2648 ( 1308 PWs) bands (ev): 3.1565 3.1565 3.9009 3.9009 5.1541 5.1541 6.9750 6.9750 9.9595 9.9595 10.0006 10.0006 10.0908 10.0908 11.3058 11.3058 13.0470 13.0470 14.4439 14.4439 18.0033 18.0033 18.5700 18.5700 k = 0.0000 0.4915 0.2648 ( 1312 PWs) bands (ev): 3.1877 3.1877 3.9164 3.9164 5.1201 5.1201 6.9570 6.9570 9.9562 9.9562 9.9966 9.9966 10.0955 10.0955 11.3068 11.3068 13.0488 13.0488 14.4391 14.4391 18.1418 18.1418 18.4253 18.4253 k = 0.0000 0.5000 0.2648 ( 1316 PWs) bands (ev): 3.1983 3.1983 3.9216 3.9216 5.1085 5.1085 6.9509 6.9509 9.9551 9.9551 9.9953 9.9953 10.0971 10.0971 11.3070 11.3070 13.0493 13.0493 14.4375 14.4375 18.2781 18.2781 18.2868 18.2868 k = 0.0000 0.5000 0.2648 ( 1316 PWs) bands (ev): 3.1983 3.1983 3.9216 3.9216 5.1085 5.1085 6.9509 6.9509 9.9551 9.9551 9.9953 9.9953 10.0971 10.0971 11.3070 11.3070 13.0493 13.0493 14.4375 14.4375 18.2781 18.2781 18.2868 18.2868 k = 0.0085 0.5000 0.2648 ( 1312 PWs) bands (ev): 3.1989 3.1989 3.9229 3.9229 5.1101 5.1101 6.9513 6.9513 9.9543 9.9543 9.9954 9.9954 10.0978 10.0978 11.3069 11.3069 13.0493 13.0493 14.4400 14.4400 18.2780 18.2780 18.2892 18.2892 k = 0.0169 0.5000 0.2648 ( 1308 PWs) bands (ev): 3.2008 3.2008 3.9268 3.9268 5.1150 5.1150 6.9527 6.9527 9.9518 9.9518 9.9958 9.9958 10.0999 10.0999 11.3060 11.3060 13.0491 13.0491 14.4473 14.4473 18.2775 18.2775 18.2965 18.2965 k = 0.0254 0.5000 0.2648 ( 1308 PWs) bands (ev): 3.2038 3.2038 3.9333 3.9333 5.1230 5.1230 6.9549 6.9549 9.9470 9.9470 9.9968 9.9968 10.1034 10.1034 11.3047 11.3047 13.0488 13.0488 14.4594 14.4594 18.2768 18.2768 18.3085 18.3085 k = 0.0339 0.5000 0.2648 ( 1308 PWs) bands (ev): 3.2080 3.2080 3.9424 3.9424 5.1344 5.1344 6.9580 6.9580 9.9397 9.9397 9.9987 9.9987 10.1084 10.1084 11.3028 11.3028 13.0484 13.0484 14.4763 14.4763 18.2758 18.2758 18.3253 18.3253 k = 0.0424 0.5000 0.2648 ( 1304 PWs) bands (ev): 3.2134 3.2134 3.9540 3.9540 5.1489 5.1489 6.9620 6.9620 9.9301 9.9301 10.0016 10.0016 10.1149 10.1149 11.3005 11.3005 13.0479 13.0479 14.4980 14.4980 18.2744 18.2744 18.3469 18.3469 k = 0.0508 0.5000 0.2648 ( 1300 PWs) bands (ev): 3.2200 3.2200 3.9683 3.9683 5.1667 5.1667 6.9668 6.9668 9.9177 9.9177 10.0056 10.0056 10.1230 10.1230 11.2978 11.2978 13.0472 13.0472 14.5243 14.5243 18.2727 18.2727 18.3730 18.3730 k = 0.0593 0.5000 0.2648 ( 1304 PWs) bands (ev): 3.2277 3.2277 3.9851 3.9851 5.1876 5.1876 6.9724 6.9724 9.9027 9.9027 10.0105 10.0105 10.1326 10.1326 11.2948 11.2948 13.0464 13.0464 14.5551 14.5551 18.2706 18.2706 18.4037 18.4037 k = 0.0678 0.5000 0.2648 ( 1300 PWs) bands (ev): 3.2366 3.2366 4.0045 4.0045 5.2117 5.2117 6.9788 6.9788 9.8855 9.8855 10.0165 10.0165 10.1438 10.1438 11.2917 11.2917 13.0454 13.0454 14.5904 14.5904 18.2680 18.2680 18.4389 18.4389 k = 0.0763 0.5000 0.2648 ( 1300 PWs) bands (ev): 3.2466 3.2466 4.0265 4.0265 5.2390 5.2390 6.9859 6.9859 9.8660 9.8660 10.0232 10.0232 10.1566 10.1566 11.2885 11.2885 13.0443 13.0443 14.6301 14.6301 18.2649 18.2649 18.4784 18.4784 k = 0.0847 0.5000 0.2648 ( 1308 PWs) bands (ev): 3.2578 3.2578 4.0510 4.0510 5.2694 5.2694 6.9938 6.9938 9.8443 9.8443 10.0307 10.0307 10.1708 10.1708 11.2852 11.2852 13.0429 13.0429 14.6739 14.6739 18.2611 18.2611 18.5221 18.5221 k = 0.0932 0.5000 0.2648 ( 1308 PWs) bands (ev): 3.2700 3.2700 4.0781 4.0781 5.3029 5.3029 7.0022 7.0022 9.8209 9.8209 10.0389 10.0389 10.1865 10.1865 11.2823 11.2823 13.0414 13.0414 14.7218 14.7218 18.2566 18.2566 18.5699 18.5699 k = 0.1017 0.5000 0.2648 ( 1304 PWs) bands (ev): 3.2834 3.2834 4.1077 4.1077 5.3395 5.3395 7.0113 7.0113 9.7958 9.7958 10.0477 10.0477 10.2037 10.2037 11.2799 11.2799 13.0398 13.0398 14.7736 14.7736 18.2510 18.2510 18.6216 18.6216 k = 0.1102 0.5000 0.2648 ( 1304 PWs) bands (ev): 3.2977 3.2977 4.1398 4.1398 5.3792 5.3792 7.0210 7.0210 9.7692 9.7692 10.0570 10.0570 10.2223 10.2223 11.2779 11.2779 13.0379 13.0379 14.8293 14.8293 18.2440 18.2440 18.6769 18.6769 k = 0.1186 0.5000 0.2648 ( 1304 PWs) bands (ev): 3.3131 3.3131 4.1745 4.1745 5.4220 5.4220 7.0311 7.0311 9.7412 9.7412 10.0669 10.0669 10.2422 10.2422 11.2765 11.2765 13.0358 13.0358 14.8886 14.8886 18.2351 18.2351 18.7357 18.7357 k = 0.1271 0.5000 0.2648 ( 1308 PWs) bands (ev): 3.3294 3.3294 4.2116 4.2116 5.4677 5.4677 7.0417 7.0417 9.7119 9.7119 10.0771 10.0771 10.2632 10.2632 11.2760 11.2760 13.0335 13.0335 14.9514 14.9514 18.2232 18.2232 18.7977 18.7977 k = 0.1356 0.5000 0.2648 ( 1300 PWs) bands (ev): 3.3467 3.3467 4.2513 4.2513 5.5163 5.5163 7.0526 7.0526 9.6818 9.6818 10.0876 10.0876 10.2857 10.2857 11.2766 11.2766 13.0310 13.0310 15.0177 15.0177 18.2064 18.2064 18.8625 18.8625 k = 0.1441 0.5000 0.2648 ( 1296 PWs) bands (ev): 3.3650 3.3650 4.2935 4.2935 5.5680 5.5680 7.0639 7.0639 9.6507 9.6507 10.0983 10.0983 10.3093 10.3093 11.2784 11.2784 13.0282 13.0282 15.0872 15.0872 18.1808 18.1808 18.8225 18.8225 k = 0.1525 0.5000 0.2648 ( 1292 PWs) bands (ev): 3.3841 3.3841 4.3381 4.3381 5.6224 5.6224 7.0754 7.0754 9.6189 9.6189 10.1091 10.1091 10.3339 10.3339 11.2815 11.2815 13.0250 13.0250 15.1599 15.1599 18.1382 18.1382 18.6513 18.6513 k = 0.1610 0.5000 0.2648 ( 1300 PWs) bands (ev): 3.4040 3.4040 4.3851 4.3851 5.6797 5.6797 7.0870 7.0870 9.5862 9.5862 10.1198 10.1198 10.3594 10.3594 11.2860 11.2860 13.0215 13.0215 15.2356 15.2356 18.0641 18.0641 18.5120 18.5120 k = 0.1695 0.5000 0.2648 ( 1300 PWs) bands (ev): 3.4247 3.4247 4.4346 4.4346 5.7398 5.7398 7.0988 7.0988 9.5533 9.5533 10.1304 10.1304 10.3859 10.3859 11.2924 11.2924 13.0176 13.0176 15.3142 15.3142 17.9464 17.9464 18.4177 18.4177 k = 0.1780 0.5000 0.2648 ( 1296 PWs) bands (ev): 3.4462 3.4462 4.4866 4.4866 5.8026 5.8026 7.1106 7.1106 9.5199 9.5199 10.1408 10.1408 10.4132 10.4132 11.3007 11.3007 13.0135 13.0135 15.3955 15.3955 17.7915 17.7915 18.3619 18.3619 k = 0.1864 0.5000 0.2648 ( 1300 PWs) bands (ev): 3.4683 3.4683 4.5408 4.5408 5.8681 5.8681 7.1223 7.1223 9.4863 9.4863 10.1507 10.1507 10.4412 10.4412 11.3110 11.3110 13.0089 13.0089 15.4795 15.4795 17.6161 17.6161 18.3285 18.3285 k = 0.1949 0.5000 0.2648 ( 1300 PWs) bands (ev): 3.4911 3.4911 4.5975 4.5975 5.9362 5.9362 7.1339 7.1339 9.4526 9.4526 10.1600 10.1600 10.4699 10.4699 11.3236 11.3236 13.0039 13.0039 15.5661 15.5661 17.4316 17.4316 18.3062 18.3062 k = 0.2034 0.5000 0.2648 ( 1304 PWs) bands (ev): 3.5145 3.5145 4.6565 4.6565 6.0068 6.0068 7.1454 7.1454 9.4189 9.4189 10.1685 10.1685 10.4991 10.4991 11.3386 11.3386 12.9985 12.9985 15.6550 15.6550 17.2439 17.2439 18.2894 18.2894 k = 0.2119 0.5000 0.2648 ( 1304 PWs) bands (ev): 3.5384 3.5384 4.7177 4.7177 6.0799 6.0799 7.1566 7.1566 9.3853 9.3853 10.1760 10.1760 10.5288 10.5288 11.3562 11.3562 12.9925 12.9925 15.7462 15.7462 17.0558 17.0558 18.2754 18.2754 k = 0.2203 0.5000 0.2648 ( 1296 PWs) bands (ev): 3.5628 3.5628 4.7813 4.7813 6.1555 6.1555 7.1675 7.1675 9.3522 9.3522 10.1824 10.1824 10.5589 10.5589 11.3765 11.3765 12.9861 12.9861 15.8395 15.8395 16.8690 16.8690 18.2610 18.2610 k = 0.2288 0.5000 0.2648 ( 1296 PWs) bands (ev): 3.5877 3.5877 4.8471 4.8471 6.2333 6.2333 7.1781 7.1781 9.3191 9.3191 10.1875 10.1875 10.5891 10.5891 11.3997 11.3997 12.9792 12.9792 15.9346 15.9346 16.6846 16.6846 18.1899 18.1899 k = 0.2373 0.5000 0.2648 ( 1296 PWs) bands (ev): 3.6128 3.6128 4.9151 4.9151 6.3133 6.3133 7.1882 7.1882 9.2865 9.2865 10.1909 10.1909 10.6193 10.6193 11.4259 11.4259 12.9717 12.9717 16.0314 16.0314 16.5031 16.5031 18.0429 18.0429 k = 0.2458 0.5000 0.2648 ( 1296 PWs) bands (ev): 3.6383 3.6383 4.9853 4.9853 6.3955 6.3955 7.1979 7.1979 9.2543 9.2543 10.1925 10.1925 10.6494 10.6494 11.4553 11.4553 12.9636 12.9636 16.1295 16.1295 16.3254 16.3254 17.8968 17.8968 k = 0.2542 0.5000 0.2648 ( 1300 PWs) bands (ev): 3.6640 3.6640 5.0575 5.0575 6.4798 6.4798 7.2071 7.2071 9.2227 9.2227 10.1921 10.1921 10.6793 10.6793 11.4877 11.4877 12.9548 12.9548 16.1511 16.1511 16.2291 16.2291 17.7554 17.7554 k = 0.2627 0.5000 0.2648 ( 1300 PWs) bands (ev): 3.6898 3.6898 5.1319 5.1319 6.5659 6.5659 7.2158 7.2158 9.1917 9.1917 10.1893 10.1893 10.7088 10.7088 11.5237 11.5237 12.9455 12.9455 15.9822 15.9822 16.3278 16.3278 17.6198 17.6198 k = 0.2712 0.5000 0.2648 ( 1296 PWs) bands (ev): 3.7157 3.7157 5.2082 5.2082 6.6539 6.6539 7.2239 7.2239 9.1615 9.1615 10.1839 10.1839 10.7377 10.7377 11.5631 11.5631 12.9355 12.9355 15.8178 15.8178 16.4254 16.4254 17.4915 17.4915 k = 0.2797 0.5000 0.2648 ( 1292 PWs) bands (ev): 3.7416 3.7416 5.2865 5.2865 6.7436 6.7436 7.2315 7.2315 9.1319 9.1319 10.1756 10.1756 10.7660 10.7660 11.6060 11.6060 12.9249 12.9249 15.6587 15.6587 16.5188 16.5188 17.3733 17.3733 k = 0.2881 0.5000 0.2648 ( 1292 PWs) bands (ev): 3.7675 3.7675 5.3667 5.3667 6.8348 6.8348 7.2384 7.2384 9.1032 9.1032 10.1642 10.1642 10.7931 10.7931 11.6525 11.6525 12.9136 12.9136 15.5051 15.5051 16.6023 16.6023 17.2712 17.2712 k = 0.2966 0.5000 0.2648 ( 1296 PWs) bands (ev): 3.7931 3.7931 5.4487 5.4487 6.9275 6.9275 7.2448 7.2448 9.0753 9.0753 10.1494 10.1494 10.8191 10.8191 11.7027 11.7027 12.9016 12.9016 15.3574 15.3574 16.6631 16.6631 17.1977 17.1977 k = 0.3051 0.5000 0.2648 ( 1296 PWs) bands (ev): 3.8186 3.8186 5.5324 5.5324 7.0214 7.0214 7.2506 7.2506 9.0483 9.0483 10.1310 10.1310 10.8438 10.8438 11.7566 11.7566 12.8891 12.8891 15.2159 15.2159 16.6812 16.6812 17.1730 17.1730 k = 0.3136 0.5000 0.2648 ( 1296 PWs) bands (ev): 3.8437 3.8437 5.6177 5.6177 7.1163 7.1163 7.2559 7.2559 9.0223 9.0223 10.1086 10.1086 10.8668 10.8668 11.8142 11.8142 12.8759 12.8759 15.0809 15.0809 16.6474 16.6474 17.2064 17.2064 k = 0.3220 0.5000 0.2648 ( 1296 PWs) bands (ev): 3.8685 3.8685 5.7046 5.7046 7.2116 7.2116 7.2611 7.2611 8.9973 8.9973 10.0821 10.0821 10.8880 10.8880 11.8757 11.8757 12.8621 12.8621 14.9526 14.9526 16.5785 16.5785 17.2811 17.2811 k = 0.3305 0.5000 0.2648 ( 1296 PWs) bands (ev): 3.8927 3.8927 5.7929 5.7929 7.2633 7.2633 7.3100 7.3100 8.9734 8.9734 10.0514 10.0514 10.9071 10.9071 11.9410 11.9410 12.8478 12.8478 14.8312 14.8312 16.4937 16.4937 17.3767 17.3767 k = 0.3390 0.5000 0.2648 ( 1296 PWs) bands (ev): 3.9165 3.9165 5.8825 5.8825 7.2675 7.2675 7.4065 7.4065 8.9505 8.9505 10.0162 10.0162 10.9239 10.9239 12.0100 12.0100 12.8331 12.8331 14.7170 14.7170 16.4034 16.4034 17.3074 17.3074 k = 0.3475 0.5000 0.2648 ( 1296 PWs) bands (ev): 3.9396 3.9396 5.9731 5.9731 7.2707 7.2707 7.5036 7.5036 8.9287 8.9287 9.9766 9.9766 10.9383 10.9383 12.0829 12.0829 12.8180 12.8180 14.6100 14.6100 16.3126 16.3126 17.1159 17.1159 k = 0.3559 0.5000 0.2648 ( 1296 PWs) bands (ev): 3.9620 3.9620 6.0648 6.0648 7.2733 7.2733 7.6007 7.6007 8.9080 8.9080 9.9326 9.9326 10.9499 10.9499 12.1596 12.1596 12.8027 12.8027 14.5103 14.5103 16.2234 16.2234 16.9257 16.9257 k = 0.3644 0.5000 0.2648 ( 1296 PWs) bands (ev): 3.9836 3.9836 6.1571 6.1571 7.2755 7.2755 7.6975 7.6975 8.8884 8.8884 9.8842 9.8842 10.9587 10.9587 12.2400 12.2400 12.7873 12.7873 14.4180 14.4180 16.1372 16.1372 16.7377 16.7377 k = 0.3729 0.5000 0.2648 ( 1296 PWs) bands (ev): 4.0044 4.0044 6.2500 6.2500 7.2772 7.2772 7.7935 7.7935 8.8700 8.8700 9.8316 9.8316 10.9644 10.9644 12.3242 12.3242 12.7719 12.7719 14.3330 14.3330 16.0546 16.0546 16.5521 16.5521 k = 0.3814 0.5000 0.2648 ( 1300 PWs) bands (ev): 4.0242 4.0242 6.3430 6.3430 7.2786 7.2786 7.8884 7.8884 8.8528 8.8528 9.7751 9.7751 10.9669 10.9669 12.4119 12.4119 12.7567 12.7567 14.2552 14.2552 15.9763 15.9763 16.3691 16.3691 k = 0.3898 0.5000 0.2648 ( 1300 PWs) bands (ev): 4.0431 4.0431 6.4360 6.4360 7.2797 7.2797 7.9816 7.9816 8.8368 8.8368 9.7151 9.7151 10.9663 10.9663 12.5033 12.5033 12.7421 12.7421 14.1844 14.1844 15.9023 15.9023 16.1889 16.1889 k = 0.3983 0.5000 0.2648 ( 1300 PWs) bands (ev): 4.0608 4.0608 6.5284 6.5284 7.2805 7.2805 8.0728 8.0728 8.8220 8.8220 9.6520 9.6520 10.9625 10.9625 12.5978 12.5978 12.7283 12.7283 14.1205 14.1205 15.8329 15.8329 16.0119 16.0119 k = 0.4068 0.5000 0.2648 ( 1296 PWs) bands (ev): 4.0774 4.0774 6.6199 6.6199 7.2811 7.2811 8.1613 8.1613 8.8084 8.8084 9.5866 9.5866 10.9556 10.9556 12.6906 12.6906 12.7206 12.7206 14.0633 14.0633 15.7672 15.7672 15.8392 15.8392 k = 0.4153 0.5000 0.2648 ( 1296 PWs) bands (ev): 4.0928 4.0928 6.7098 6.7098 7.2815 7.2815 8.2465 8.2465 8.7960 8.7960 9.5194 9.5194 10.9460 10.9460 12.6991 12.6991 12.8012 12.8012 14.0124 14.0124 15.6613 15.6613 15.7149 15.7149 k = 0.4237 0.5000 0.2648 ( 1296 PWs) bands (ev): 4.1069 4.1069 6.7974 6.7974 7.2818 7.2818 8.3277 8.3277 8.7848 8.7848 9.4515 9.4515 10.9340 10.9340 12.6881 12.6881 12.9055 12.9055 13.9675 13.9675 15.4961 15.4961 15.6586 15.6586 k = 0.4322 0.5000 0.2648 ( 1296 PWs) bands (ev): 4.1197 4.1197 6.8819 6.8819 7.2819 7.2819 8.4040 8.4040 8.7750 8.7750 9.3839 9.3839 10.9200 10.9200 12.6776 12.6776 13.0133 13.0133 13.9285 13.9285 15.3323 15.3323 15.6098 15.6098 k = 0.4407 0.5000 0.2648 ( 1296 PWs) bands (ev): 4.1311 4.1311 6.9622 6.9622 7.2819 7.2819 8.4746 8.4746 8.7664 8.7664 9.3178 9.3178 10.9047 10.9047 12.6681 12.6681 13.1239 13.1239 13.8949 13.8949 15.1722 15.1722 15.5668 15.5668 k = 0.4492 0.5000 0.2648 ( 1292 PWs) bands (ev): 4.1411 4.1411 7.0373 7.0373 7.2819 7.2819 8.5384 8.5384 8.7592 8.7592 9.2547 9.2547 10.8888 10.8888 12.6598 12.6598 13.2367 13.2367 13.8665 13.8665 15.0165 15.0165 15.5294 15.5294 k = 0.4576 0.5000 0.2648 ( 1288 PWs) bands (ev): 4.1497 4.1497 7.1055 7.1055 7.2818 7.2818 8.5943 8.5943 8.7536 8.7536 9.1962 9.1962 10.8732 10.8732 12.6527 12.6527 13.3508 13.3508 13.8429 13.8429 14.8659 14.8659 15.4977 15.4977 k = 0.4661 0.5000 0.2648 ( 1284 PWs) bands (ev): 4.1567 4.1567 7.1650 7.1650 7.2818 7.2818 8.6409 8.6409 8.7498 8.7498 9.1443 9.1443 10.8588 10.8588 12.6471 12.6471 13.4649 13.4649 13.8241 13.8241 14.7220 14.7220 15.4716 15.4716 k = 0.4746 0.5000 0.2648 ( 1284 PWs) bands (ev): 4.1622 4.1622 7.2141 7.2141 7.2818 7.2818 8.6767 8.6767 8.7486 8.7486 9.1010 9.1010 10.8464 10.8464 12.6425 12.6425 13.5759 13.5759 13.8097 13.8097 14.5877 14.5877 15.4514 15.4514 k = 0.4831 0.5000 0.2648 ( 1284 PWs) bands (ev): 4.1660 4.1660 7.2508 7.2508 7.2818 7.2818 8.6998 8.6998 8.7509 8.7509 9.0682 9.0682 10.8368 10.8368 12.6393 12.6393 13.6778 13.6778 13.8000 13.8000 14.4688 14.4688 15.4368 15.4368 k = 0.4915 0.5000 0.2648 ( 1280 PWs) bands (ev): 4.1685 4.1685 7.2734 7.2734 7.2822 7.2822 8.7107 8.7107 8.7555 8.7555 9.0477 9.0477 10.8308 10.8308 12.6374 12.6374 13.7554 13.7554 13.7962 13.7962 14.3790 14.3790 15.4281 15.4281 k = 0.5000 0.5000 0.2648 ( 1280 PWs) bands (ev): 4.1693 4.1693 7.2796 7.2796 7.2838 7.2838 8.7135 8.7135 8.7579 8.7579 9.0408 9.0408 10.8288 10.8288 12.6367 12.6367 13.7797 13.7797 13.8023 13.8023 14.3433 14.3433 15.4252 15.4252 k = 0.5000 0.5000 0.2648 ( 1280 PWs) bands (ev): 4.1693 4.1693 7.2796 7.2796 7.2838 7.2838 8.7135 8.7135 8.7579 8.7579 9.0408 9.0408 10.8288 10.8288 12.6367 12.6367 13.7797 13.7797 13.8023 13.8023 14.3433 14.3433 15.4252 15.4252 k = 0.4940 0.4940 0.2648 ( 1282 PWs) bands (ev): 4.1684 4.1684 7.2724 7.2724 7.2831 7.2831 8.7108 8.7108 8.7554 8.7554 9.0478 9.0478 10.8309 10.8309 12.6374 12.6374 13.7561 13.7561 13.7951 13.7951 14.3794 14.3794 15.4281 15.4281 k = 0.4880 0.4880 0.2648 ( 1282 PWs) bands (ev): 4.1660 4.1660 7.2466 7.2466 7.2859 7.2859 8.7009 8.7009 8.7497 8.7497 9.0685 9.0685 10.8370 10.8370 12.6393 12.6393 13.6813 13.6813 13.7949 13.7949 14.4707 14.4707 15.4367 15.4367 k = 0.4819 0.4819 0.2648 ( 1282 PWs) bands (ev): 4.1620 4.1620 7.2045 7.2045 7.2909 7.2909 8.6808 8.6808 8.7443 8.7443 9.1016 9.1016 10.8467 10.8467 12.6426 12.6426 13.5834 13.5834 13.7980 13.7980 14.5922 14.5922 15.4504 15.4504 k = 0.4759 0.4759 0.2648 ( 1286 PWs) bands (ev): 4.1561 4.1561 7.1481 7.1481 7.2980 7.2980 8.6498 8.6498 8.7408 8.7408 9.1453 9.1453 10.8596 10.8596 12.6472 12.6472 13.4778 13.4778 13.8029 13.8029 14.7304 14.7304 15.4682 15.4682 k = 0.4699 0.4699 0.2648 ( 1286 PWs) bands (ev): 4.1483 4.1483 7.0795 7.0795 7.3071 7.3071 8.6095 8.6095 8.7387 8.7387 9.1978 9.1978 10.8747 10.8747 12.6531 12.6531 13.3708 13.3708 13.8094 13.8094 14.8793 14.8793 15.4891 15.4891 k = 0.4639 0.4639 0.2648 ( 1286 PWs) bands (ev): 4.1385 4.1385 7.0005 7.0005 7.3183 7.3183 8.5618 8.5618 8.7372 8.7372 9.2569 9.2569 10.8915 10.8915 12.6603 12.6603 13.2651 13.2651 13.8173 13.8173 15.0358 15.0358 15.5118 15.5118 k = 0.4578 0.4578 0.2648 ( 1294 PWs) bands (ev): 4.1265 4.1265 6.9130 6.9130 7.3314 7.3314 8.5084 8.5084 8.7361 8.7361 9.3210 9.3210 10.9091 10.9091 12.6687 12.6687 13.1623 13.1623 13.8267 13.8267 15.1984 15.1984 15.5350 15.5350 k = 0.4518 0.4518 0.2648 ( 1294 PWs) bands (ev): 4.1121 4.1121 6.8183 6.8183 7.3466 7.3466 8.4508 8.4508 8.7351 8.7351 9.3886 9.3886 10.9268 10.9268 12.6785 12.6785 13.0633 13.0633 13.8376 13.8376 15.3660 15.3660 15.5579 15.5579 k = 0.4458 0.4458 0.2648 ( 1292 PWs) bands (ev): 4.0950 4.0950 6.7178 6.7178 7.3638 7.3638 8.3904 8.3904 8.7342 8.7342 9.4583 9.4583 10.9441 10.9441 12.6898 12.6898 12.9688 12.9688 13.8499 13.8499 15.5372 15.5372 15.5802 15.5802 k = 0.4398 0.4398 0.2648 ( 1292 PWs) bands (ev): 4.0749 4.0749 6.6126 6.6126 7.3829 7.3829 8.3285 8.3285 8.7333 8.7333 9.5289 9.5289 10.9603 10.9603 12.7023 12.7023 12.8792 12.8792 13.8637 13.8637 15.5984 15.5984 15.7145 15.7145 k = 0.4337 0.4337 0.2648 ( 1292 PWs) bands (ev): 4.0516 4.0516 6.5034 6.5034 7.4041 7.4041 8.2663 8.2663 8.7324 8.7324 9.5995 9.5995 10.9750 10.9750 12.7152 12.7152 12.7958 12.7958 13.8789 13.8789 15.6165 15.6165 15.8929 15.8929 k = 0.4277 0.4277 0.2648 ( 1292 PWs) bands (ev): 4.0247 4.0247 6.3911 6.3911 7.4272 7.4272 8.2050 8.2050 8.7314 8.7314 9.6694 9.6694 10.9879 10.9879 12.7064 12.7064 12.7412 12.7412 13.8956 13.8956 15.6325 15.6325 16.0735 16.0735 k = 0.4217 0.4217 0.2648 ( 1296 PWs) bands (ev): 3.9942 3.9942 6.2761 6.2761 7.4522 7.4522 8.1455 8.1455 8.7303 8.7303 9.7376 9.7376 10.9986 10.9986 12.6383 12.6383 12.7530 12.7530 13.9136 13.9136 15.6466 15.6466 16.2552 16.2552 k = 0.4157 0.4157 0.2648 ( 1296 PWs) bands (ev): 3.9595 3.9595 6.1591 6.1591 7.4792 7.4792 8.0889 8.0889 8.7291 8.7291 9.8037 9.8037 11.0070 11.0070 12.5713 12.5713 12.7713 12.7713 13.9332 13.9332 15.6592 15.6592 16.4362 16.4362 k = 0.4096 0.4096 0.2648 ( 1300 PWs) bands (ev): 3.9207 3.9207 6.0405 6.0405 7.5081 7.5081 8.0359 8.0359 8.7279 8.7279 9.8669 9.8669 11.0128 11.0128 12.5103 12.5103 12.7915 12.7915 13.9541 13.9541 15.6704 15.6704 16.6145 16.6145 k = 0.4036 0.4036 0.2648 ( 1300 PWs) bands (ev): 3.8773 3.8773 5.9205 5.9205 7.5389 7.5389 7.9872 7.9872 8.7265 8.7265 9.9267 9.9267 11.0162 11.0162 12.4557 12.4557 12.8138 12.8138 13.9764 13.9764 15.6805 15.6805 16.7867 16.7867 k = 0.3976 0.3976 0.2648 ( 1300 PWs) bands (ev): 3.8293 3.8293 5.7996 5.7996 7.5716 7.5716 7.9435 7.9435 8.7251 8.7251 9.9826 9.9826 11.0168 11.0168 12.4080 12.4080 12.8377 12.8377 14.0002 14.0002 15.6897 15.6897 16.9483 16.9483 k = 0.3916 0.3916 0.2648 ( 1304 PWs) bands (ev): 3.7766 3.7766 5.6780 5.6780 7.6061 7.6061 7.9054 7.9054 8.7236 8.7236 10.0340 10.0340 11.0148 11.0148 12.3675 12.3675 12.8633 12.8633 14.0253 14.0253 15.6982 15.6982 17.0929 17.0929 k = 0.3855 0.3855 0.2648 ( 1300 PWs) bands (ev): 3.7191 3.7191 5.5560 5.5560 7.6425 7.6425 7.8731 7.8731 8.7219 8.7219 10.0806 10.0806 11.0101 11.0101 12.3345 12.3345 12.8909 12.8909 14.0519 14.0519 15.7062 15.7062 17.2130 17.2130 k = 0.3795 0.3795 0.2648 ( 1300 PWs) bands (ev): 3.6568 3.6568 5.4338 5.4338 7.6805 7.6805 7.8471 7.8471 8.7202 8.7202 10.1219 10.1219 11.0027 11.0027 12.3092 12.3092 12.9203 12.9203 14.0799 14.0799 15.7139 15.7139 17.2086 17.2086 k = 0.3735 0.3735 0.2648 ( 1300 PWs) bands (ev): 3.5898 3.5898 5.3116 5.3116 7.7202 7.7202 7.8277 7.8277 8.7184 8.7184 10.1576 10.1576 10.9926 10.9926 12.2916 12.2916 12.9515 12.9515 14.1093 14.1093 15.7213 15.7213 17.0970 17.0970 k = 0.3675 0.3675 0.2648 ( 1296 PWs) bands (ev): 3.5182 3.5182 5.1895 5.1895 7.7609 7.7609 7.8154 7.8154 8.7164 8.7164 10.1877 10.1877 10.9799 10.9799 12.2820 12.2820 12.9847 12.9847 14.1400 14.1400 15.7287 15.7287 16.9860 16.9860 k = 0.3614 0.3614 0.2648 ( 1296 PWs) bands (ev): 3.4422 3.4422 5.0678 5.0678 7.7960 7.7960 7.8168 7.8168 8.7144 8.7144 10.2121 10.2121 10.9646 10.9646 12.2800 12.2800 13.0198 13.0198 14.1722 14.1722 15.7361 15.7361 16.8773 16.8773 k = 0.3554 0.3554 0.2648 ( 1296 PWs) bands (ev): 3.3621 3.3621 4.9465 4.9465 7.8037 7.8037 7.8539 7.8539 8.7123 8.7123 10.2308 10.2308 10.9467 10.9467 12.2855 12.2855 13.0568 13.0568 14.2057 14.2057 15.7437 15.7437 16.7716 16.7716 k = 0.3494 0.3494 0.2648 ( 1296 PWs) bands (ev): 3.2781 3.2781 4.8258 4.8258 7.8104 7.8104 7.8997 7.8997 8.7101 8.7101 10.2442 10.2442 10.9264 10.9264 12.2981 12.2981 13.0957 13.0957 14.2407 14.2407 15.7514 15.7514 16.6692 16.6692 k = 0.3434 0.3434 0.2648 ( 1302 PWs) bands (ev): 3.1905 3.1905 4.7058 4.7058 7.8225 7.8225 7.9477 7.9477 8.7077 8.7077 10.2525 10.2525 10.9036 10.9036 12.3172 12.3172 13.1367 13.1367 14.2770 14.2770 15.7594 15.7594 16.5704 16.5704 k = 0.3373 0.3373 0.2648 ( 1298 PWs) bands (ev): 3.0996 3.0996 4.5868 4.5868 7.8401 7.8401 7.9976 7.9976 8.7054 8.7054 10.2564 10.2564 10.8785 10.8785 12.3423 12.3423 13.1797 13.1797 14.3147 14.3147 15.7678 15.7678 16.4754 16.4754 k = 0.3313 0.3313 0.2648 ( 1298 PWs) bands (ev): 3.0058 3.0058 4.4687 4.4687 7.8633 7.8633 8.0491 8.0491 8.7029 8.7029 10.2562 10.2562 10.8513 10.8513 12.3727 12.3727 13.2248 13.2248 14.3539 14.3539 15.7765 15.7765 16.3843 16.3843 k = 0.3253 0.3253 0.2648 ( 1298 PWs) bands (ev): 2.9095 2.9095 4.3517 4.3517 7.8915 7.8915 8.1022 8.1022 8.7004 8.7004 10.2524 10.2524 10.8220 10.8220 12.4075 12.4075 13.2719 13.2719 14.3944 14.3944 15.7857 15.7857 16.2971 16.2971 k = 0.3193 0.3193 0.2648 ( 1300 PWs) bands (ev): 2.8110 2.8110 4.2358 4.2358 7.9245 7.9245 8.1567 8.1567 8.6977 8.6977 10.2458 10.2458 10.7907 10.7907 12.4461 12.4461 13.3211 13.3211 14.4364 14.4364 15.7952 15.7952 16.2140 16.2140 k = 0.3133 0.3133 0.2648 ( 1304 PWs) bands (ev): 2.7105 2.7105 4.1212 4.1212 7.9618 7.9618 8.2126 8.2126 8.6950 8.6950 10.2366 10.2366 10.7578 10.7578 12.4876 12.4876 13.3723 13.3723 14.4797 14.4797 15.8050 15.8050 16.1353 16.1353 k = 0.3072 0.3072 0.2648 ( 1304 PWs) bands (ev): 2.6086 2.6086 4.0078 4.0078 8.0032 8.0032 8.2698 8.2698 8.6924 8.6924 10.2256 10.2256 10.7235 10.7235 12.5312 12.5312 13.4258 13.4258 14.5245 14.5245 15.8147 15.8147 16.0612 16.0612 k = 0.3012 0.3012 0.2648 ( 1308 PWs) bands (ev): 2.5053 2.5053 3.8959 3.8959 8.0482 8.0482 8.3284 8.3284 8.6897 8.6897 10.2131 10.2131 10.6878 10.6878 12.5762 12.5762 13.4813 13.4813 14.5708 14.5708 15.8232 15.8232 15.9929 15.9929 k = 0.2952 0.2952 0.2648 ( 1308 PWs) bands (ev): 2.4012 2.4012 3.7855 3.7855 8.0963 8.0963 8.3881 8.3881 8.6871 8.6871 10.1996 10.1996 10.6513 10.6513 12.6219 12.6219 13.5390 13.5390 14.6185 14.6185 15.8266 15.8266 15.9343 15.9343 k = 0.2892 0.2892 0.2648 ( 1304 PWs) bands (ev): 2.2964 2.2964 3.6766 3.6766 8.1472 8.1472 8.4491 8.4491 8.6845 8.6845 10.1855 10.1855 10.6142 10.6142 12.6674 12.6674 13.5989 13.5989 14.6677 14.6677 15.8110 15.8110 15.8994 15.8994 k = 0.2831 0.2831 0.2648 ( 1306 PWs) bands (ev): 2.1912 2.1912 3.5693 3.5693 8.2002 8.2002 8.5110 8.5110 8.6820 8.6820 10.1709 10.1709 10.5767 10.5767 12.7121 12.7121 13.6609 13.6609 14.7184 14.7184 15.7688 15.7688 15.8956 15.8956 k = 0.2771 0.2771 0.2648 ( 1302 PWs) bands (ev): 2.0859 2.0859 3.4636 3.4636 8.2550 8.2550 8.5737 8.5737 8.6798 8.6798 10.1565 10.1565 10.5392 10.5392 12.7553 12.7553 13.7250 13.7250 14.7706 14.7706 15.7176 15.7176 15.9054 15.9054 k = 0.2711 0.2711 0.2648 ( 1310 PWs) bands (ev): 1.9807 1.9807 3.3597 3.3597 8.3109 8.3109 8.6359 8.6359 8.6790 8.6790 10.1422 10.1422 10.5022 10.5022 12.7962 12.7962 13.7911 13.7911 14.8243 14.8243 15.6662 15.6662 15.9198 15.9198 k = 0.2651 0.2651 0.2648 ( 1314 PWs) bands (ev): 1.8758 1.8758 3.2575 3.2575 8.3674 8.3674 8.6695 8.6695 8.7077 8.7077 10.1283 10.1283 10.4663 10.4663 12.8343 12.8343 13.8595 13.8595 14.8796 14.8796 15.6169 15.6169 15.9367 15.9367 k = 0.2590 0.2590 0.2648 ( 1314 PWs) bands (ev): 1.7714 1.7714 3.1571 3.1571 8.4237 8.4237 8.6695 8.6695 8.7712 8.7712 10.1150 10.1150 10.4319 10.4319 12.8688 12.8688 13.9299 13.9299 14.9364 14.9364 15.5702 15.5702 15.9553 15.9553 k = 0.2530 0.2530 0.2648 ( 1310 PWs) bands (ev): 1.6677 1.6677 3.0586 3.0586 8.4792 8.4792 8.6677 8.6677 8.8372 8.8372 10.1026 10.1026 10.3999 10.3999 12.8992 12.8992 14.0026 14.0026 14.9949 14.9949 15.5263 15.5263 15.9755 15.9755 k = 0.2470 0.2470 0.2648 ( 1306 PWs) bands (ev): 1.5650 1.5650 2.9620 2.9620 8.5329 8.5329 8.6658 8.6658 8.9042 8.9042 10.0912 10.0912 10.3705 10.3705 12.9249 12.9249 14.0772 14.0772 15.0550 15.0550 15.4852 15.4852 15.9972 15.9972 k = 0.2410 0.2410 0.2648 ( 1306 PWs) bands (ev): 1.4632 1.4632 2.8674 2.8674 8.5836 8.5836 8.6646 8.6646 8.9719 8.9719 10.0809 10.0809 10.3447 10.3447 12.9454 12.9454 14.1540 14.1540 15.1167 15.1167 15.4470 15.4470 16.0202 16.0202 k = 0.2349 0.2349 0.2648 ( 1306 PWs) bands (ev): 1.3627 1.3627 2.7747 2.7747 8.6282 8.6282 8.6661 8.6661 9.0400 9.0400 10.0717 10.0717 10.3233 10.3233 12.9604 12.9604 14.2327 14.2327 15.1800 15.1800 15.4118 15.4118 16.0447 16.0447 k = 0.2289 0.2289 0.2648 ( 1308 PWs) bands (ev): 1.2635 1.2635 2.6840 2.6840 8.6503 8.6503 8.6860 8.6860 9.1085 9.1085 10.0639 10.0639 10.3069 10.3069 12.9695 12.9695 14.3135 14.3135 15.2442 15.2442 15.3799 15.3799 16.0707 16.0707 k = 0.2229 0.2229 0.2648 ( 1308 PWs) bands (ev): 1.1658 1.1658 2.5953 2.5953 8.6522 8.6522 8.7211 8.7211 9.1773 9.1773 10.0576 10.0576 10.2966 10.2966 12.9724 12.9724 14.3963 14.3963 15.3043 15.3043 15.3564 15.3564 16.0981 16.0981 k = 0.2169 0.2169 0.2648 ( 1306 PWs) bands (ev): 1.0696 1.0696 2.5087 2.5087 8.6512 8.6512 8.7532 8.7532 9.2463 9.2463 10.0529 10.0529 10.2929 10.2929 12.9692 12.9692 14.4811 14.4811 15.3113 15.3113 15.3904 15.3904 16.1270 16.1270 k = 0.2108 0.2108 0.2648 ( 1306 PWs) bands (ev): 0.9752 0.9752 2.4243 2.4243 8.6498 8.6498 8.7793 8.7793 9.3152 9.3152 10.0498 10.0498 10.2964 10.2964 12.9598 12.9598 14.5678 14.5678 15.2886 15.2886 15.4584 15.4584 16.1575 16.1575 k = 0.2048 0.2048 0.2648 ( 1302 PWs) bands (ev): 0.8825 0.8825 2.3419 2.3419 8.6482 8.6482 8.7985 8.7985 9.3841 9.3841 10.0484 10.0484 10.3075 10.3075 12.9442 12.9442 14.6565 14.6565 15.2655 15.2655 15.5310 15.5310 16.1896 16.1896 k = 0.1988 0.1988 0.2648 ( 1302 PWs) bands (ev): 0.7917 0.7917 2.2617 2.2617 8.6466 8.6466 8.8106 8.8106 9.4528 9.4528 10.0487 10.0487 10.3263 10.3263 12.9228 12.9228 14.7469 14.7469 15.2441 15.2441 15.6061 15.6061 16.2233 16.2233 k = 0.1928 0.1928 0.2648 ( 1306 PWs) bands (ev): 0.7029 0.7029 2.1837 2.1837 8.6450 8.6450 8.8156 8.8156 9.5210 9.5210 10.0505 10.0505 10.3526 10.3526 12.8958 12.8958 14.8391 14.8391 15.2244 15.2244 15.6835 15.6835 16.2587 16.2587 k = 0.1867 0.1867 0.2648 ( 1310 PWs) bands (ev): 0.6162 0.6162 2.1079 2.1079 8.6434 8.6434 8.8139 8.8139 9.5888 9.5888 10.0540 10.0540 10.3860 10.3860 12.8635 12.8635 14.9331 14.9331 15.2065 15.2065 15.7634 15.7634 16.2957 16.2957 k = 0.1807 0.1807 0.2648 ( 1314 PWs) bands (ev): 0.5316 0.5316 2.0343 2.0343 8.6421 8.6421 8.8060 8.8060 9.6561 9.6561 10.0591 10.0591 10.4258 10.4258 12.8263 12.8263 15.0288 15.0288 15.1903 15.1903 15.8455 15.8455 16.3345 16.3345 k = 0.1747 0.1747 0.2648 ( 1314 PWs) bands (ev): 0.4492 0.4492 1.9630 1.9630 8.6408 8.6408 8.7928 8.7928 9.7226 9.7226 10.0660 10.0660 10.4711 10.4711 12.7846 12.7846 15.1261 15.1261 15.1758 15.1758 15.9302 15.9302 16.3749 16.3749 k = 0.1687 0.1687 0.2648 ( 1310 PWs) bands (ev): 0.3691 0.3691 1.8939 1.8939 8.6397 8.6397 8.7749 8.7749 9.7883 9.7883 10.0745 10.0745 10.5212 10.5212 12.7389 12.7389 15.1628 15.1628 15.2250 15.2250 16.0173 16.0173 16.4171 16.4171 k = 0.1627 0.1627 0.2648 ( 1314 PWs) bands (ev): 0.2914 0.2914 1.8271 1.8271 8.6385 8.6385 8.7532 8.7532 9.8530 9.8530 10.0847 10.0847 10.5749 10.5749 12.6896 12.6896 15.1514 15.1514 15.3253 15.3253 16.1070 16.1070 16.4611 16.4611 k = 0.1566 0.1566 0.2648 ( 1316 PWs) bands (ev): 0.2160 0.2160 1.7627 1.7627 8.6374 8.6374 8.7286 8.7286 9.9165 9.9165 10.0967 10.0967 10.6315 10.6315 12.6371 12.6371 15.1413 15.1413 15.4271 15.4271 16.1993 16.1993 16.5067 16.5067 k = 0.1506 0.1506 0.2648 ( 1316 PWs) bands (ev): 0.1431 0.1431 1.7005 1.7005 8.6365 8.6365 8.7015 8.7015 9.9785 9.9785 10.1107 10.1107 10.6899 10.6899 12.5818 12.5818 15.1326 15.1326 15.5301 15.5301 16.2943 16.2943 16.5541 16.5541 k = 0.1446 0.1446 0.2648 ( 1312 PWs) bands (ev): 0.0727 0.0727 1.6407 1.6407 8.6357 8.6357 8.6728 8.6728 10.0385 10.0385 10.1273 10.1273 10.7497 10.7497 12.5241 12.5241 15.1251 15.1251 15.6343 15.6343 16.3921 16.3921 16.6031 16.6031 k = 0.1386 0.1386 0.2648 ( 1312 PWs) bands (ev): 0.0049 0.0049 1.5832 1.5832 8.6345 8.6345 8.6433 8.6433 10.0947 10.0947 10.1476 10.1476 10.8099 10.8099 12.4644 12.4644 15.1188 15.1188 15.7396 15.7396 16.4927 16.4927 16.6538 16.6538 k = 0.1325 0.1325 0.2648 ( 1316 PWs) bands (ev): -0.0604 -0.0604 1.5280 1.5280 8.6115 8.6115 8.6350 8.6350 10.1405 10.1405 10.1785 10.1785 10.8702 10.8702 12.4028 12.4028 15.1135 15.1135 15.8458 15.8458 16.5961 16.5961 16.7061 16.7061 k = 0.1265 0.1265 0.2648 ( 1320 PWs) bands (ev): -0.1230 -0.1230 1.4753 1.4753 8.5804 8.5804 8.6343 8.6343 10.1702 10.1702 10.2254 10.2254 10.9299 10.9299 12.3399 12.3399 15.1092 15.1092 15.9527 15.9527 16.7021 16.7021 16.7601 16.7601 k = 0.1205 0.1205 0.2648 ( 1322 PWs) bands (ev): -0.1829 -0.1829 1.4249 1.4249 8.5493 8.5493 8.6338 8.6338 10.1947 10.1947 10.2774 10.2774 10.9887 10.9887 12.2759 12.2759 15.1059 15.1059 16.0602 16.0602 16.8050 16.8050 16.8216 16.8216 k = 0.1145 0.1145 0.2648 ( 1326 PWs) bands (ev): -0.2402 -0.2402 1.3769 1.3769 8.5184 8.5184 8.6335 8.6335 10.2192 10.2192 10.3293 10.3293 11.0459 11.0459 12.2110 12.2110 15.1033 15.1033 16.1681 16.1681 16.8682 16.8682 16.9270 16.9270 k = 0.1084 0.1084 0.2648 ( 1318 PWs) bands (ev): -0.2946 -0.2946 1.3313 1.3313 8.4881 8.4881 8.6333 8.6333 10.2449 10.2449 10.3798 10.3798 11.1016 11.1016 12.1455 12.1455 15.1015 15.1015 16.2761 16.2761 16.9255 16.9255 17.0423 17.0423 k = 0.1024 0.1024 0.2648 ( 1318 PWs) bands (ev): -0.3463 -0.3463 1.2881 1.2881 8.4585 8.4585 8.6331 8.6331 10.2719 10.2719 10.4283 10.4283 11.1552 11.1552 12.0796 12.0796 15.1003 15.1003 16.3839 16.3839 16.9830 16.9830 17.1612 17.1612 k = 0.0964 0.0964 0.2648 ( 1318 PWs) bands (ev): -0.3952 -0.3952 1.2474 1.2474 8.4298 8.4298 8.6330 8.6330 10.3005 10.3005 10.4748 10.4748 11.2066 11.2066 12.0136 12.0136 15.0997 15.0997 16.4912 16.4912 17.0407 17.0407 17.2835 17.2835 k = 0.0904 0.0904 0.2648 ( 1318 PWs) bands (ev): -0.4413 -0.4413 1.2091 1.2091 8.4023 8.4023 8.6329 8.6329 10.3305 10.3305 10.5189 10.5189 11.2555 11.2555 11.9475 11.9475 15.0995 15.0995 16.5976 16.5976 17.0984 17.0984 17.4090 17.4090 k = 0.0843 0.0843 0.2648 ( 1318 PWs) bands (ev): -0.4845 -0.4845 1.1732 1.1732 8.3760 8.3760 8.6328 8.6328 10.3621 10.3621 10.5607 10.5607 11.3017 11.3017 11.8816 11.8816 15.0997 15.0997 16.7028 16.7028 17.1558 17.1558 17.5378 17.5378 k = 0.0783 0.0783 0.2648 ( 1322 PWs) bands (ev): -0.5248 -0.5248 1.1398 1.1398 8.3510 8.3510 8.6327 8.6327 10.3951 10.3951 10.6000 10.6000 11.3451 11.3451 11.8161 11.8161 15.1003 15.1003 16.8062 16.8062 17.2124 17.2124 17.6699 17.6699 k = 0.0723 0.0723 0.2648 ( 1330 PWs) bands (ev): -0.5622 -0.5622 1.1088 1.1088 8.3275 8.3275 8.6325 8.6325 10.4296 10.4296 10.6368 10.6368 11.3853 11.3853 11.7511 11.7511 15.1011 15.1011 16.9072 16.9072 17.2679 17.2679 17.8052 17.8052 k = 0.0663 0.0663 0.2648 ( 1330 PWs) bands (ev): -0.5967 -0.5967 1.0803 1.0803 8.3057 8.3057 8.6326 8.6326 10.4655 10.4655 10.6710 10.6710 11.4226 11.4226 11.6869 11.6869 15.1021 15.1021 17.0053 17.0053 17.3219 17.3219 17.9436 17.9436 k = 0.0602 0.0602 0.2648 ( 1330 PWs) bands (ev): -0.6282 -0.6282 1.0542 1.0542 8.2855 8.2855 8.6326 8.6326 10.5028 10.5028 10.7024 10.7024 11.4566 11.4566 11.6237 11.6237 15.1032 15.1032 17.0995 17.0995 17.3739 17.3739 18.0852 18.0852 k = 0.0542 0.0542 0.2648 ( 1330 PWs) bands (ev): -0.6568 -0.6568 1.0306 1.0306 8.2670 8.2670 8.6328 8.6328 10.5411 10.5411 10.7312 10.7312 11.4864 11.4864 11.5625 11.5625 15.1044 15.1044 17.1891 17.1891 17.4235 17.4235 18.2296 18.2296 k = 0.0482 0.0482 0.2648 ( 1330 PWs) bands (ev): -0.6824 -0.6824 1.0095 1.0095 8.2503 8.2503 8.6329 8.6329 10.5806 10.5806 10.7572 10.7572 11.4915 11.4915 11.5242 11.5242 15.1057 15.1057 17.2730 17.2730 17.4703 17.4703 18.3767 18.3767 k = 0.0422 0.0422 0.2648 ( 1326 PWs) bands (ev): -0.7050 -0.7050 0.9909 0.9909 8.2355 8.2355 8.6330 8.6330 10.6208 10.6208 10.7804 10.7804 11.4372 11.4372 11.5436 11.5436 15.1069 15.1069 17.3499 17.3499 17.5141 17.5141 18.5260 18.5260 k = 0.0361 0.0361 0.2648 ( 1318 PWs) bands (ev): -0.7246 -0.7246 0.9747 0.9747 8.2226 8.2226 8.6331 8.6331 10.6614 10.6614 10.8010 10.8010 11.3801 11.3801 11.5645 11.5645 15.1081 15.1081 17.4185 17.4185 17.5545 17.5545 18.6770 18.6770 k = 0.0301 0.0301 0.2648 ( 1318 PWs) bands (ev): -0.7413 -0.7413 0.9610 0.9610 8.2116 8.2116 8.6331 8.6331 10.7018 10.7018 10.8188 10.8188 11.3248 11.3248 11.5823 11.5823 15.1092 15.1092 17.4775 17.4775 17.5914 17.5914 18.8286 18.8286 k = 0.0241 0.0241 0.2648 ( 1318 PWs) bands (ev): -0.7549 -0.7549 0.9498 0.9498 8.2026 8.2026 8.6332 8.6332 10.7407 10.7407 10.8344 10.8344 11.2726 11.2726 11.5971 11.5971 15.1100 15.1100 17.5254 17.5254 17.6246 17.6246 18.9788 18.9788 k = 0.0181 0.0181 0.2648 ( 1316 PWs) bands (ev): -0.7655 -0.7655 0.9411 0.9411 8.1955 8.1955 8.6333 8.6333 10.7759 10.7759 10.8485 10.8485 11.2251 11.2251 11.6086 11.6086 15.1108 15.1108 17.5617 17.5617 17.6531 17.6531 19.1239 19.1239 k = 0.0120 0.0120 0.2648 ( 1316 PWs) bands (ev): -0.7731 -0.7731 0.9349 0.9349 8.1905 8.1905 8.6333 8.6333 10.8039 10.8039 10.8620 10.8620 11.1848 11.1848 11.6168 11.6168 15.1113 15.1113 17.5867 17.5867 17.6755 17.6755 19.2560 19.2560 k = 0.0060 0.0060 0.2648 ( 1316 PWs) bands (ev): -0.7776 -0.7776 0.9311 0.9311 8.1874 8.1874 8.6333 8.6333 10.8206 10.8206 10.8744 10.8744 11.1564 11.1564 11.6217 11.6217 15.1116 15.1116 17.6012 17.6012 17.6898 17.6898 19.3576 19.3576 k = 0.0000 0.0000 0.2648 ( 1316 PWs) bands (ev): -0.7791 -0.7791 0.9299 0.9299 8.1864 8.1864 8.6333 8.6333 10.8259 10.8259 10.8800 10.8800 11.1458 11.1458 11.6234 11.6234 15.1117 15.1117 17.6060 17.6060 17.6947 17.6947 19.3983 19.3983 k = 0.0000 0.5000-0.0000 ( 1318 PWs) bands (ev): 2.4670 2.4670 4.5027 4.5027 5.5272 5.5272 8.4751 8.4751 8.9061 8.9061 9.3703 9.3703 9.9671 9.9671 11.3151 11.3151 12.8061 12.8061 14.1971 14.1971 15.3070 15.3070 20.5070 20.5070 k = 0.0000 0.5000 0.0085 ( 1318 PWs) bands (ev): 2.4681 2.4681 4.5037 4.5037 5.5227 5.5227 8.4799 8.4799 8.8929 8.8929 9.3804 9.3804 9.9672 9.9672 11.3151 11.3151 12.8071 12.8071 14.1974 14.1974 15.3116 15.3116 20.5009 20.5009 k = 0.0000 0.5000 0.0171 ( 1308 PWs) bands (ev): 2.4712 2.4712 4.5070 4.5070 5.5096 5.5096 8.4944 8.4944 8.8566 8.8566 9.4079 9.4079 9.9673 9.9673 11.3153 11.3153 12.8103 12.8103 14.1986 14.1986 15.3252 15.3252 20.4829 20.4829 k = 0.0000 0.5000 0.0256 ( 1310 PWs) bands (ev): 2.4765 2.4765 4.5125 4.5125 5.4878 5.4878 8.5180 8.5180 8.8034 8.8034 9.4463 9.4463 9.9674 9.9674 11.3152 11.3152 12.8154 12.8154 14.2003 14.2003 15.3478 15.3478 20.4530 20.4530 k = 0.0000 0.5000 0.0342 ( 1310 PWs) bands (ev): 2.4840 2.4840 4.5201 4.5201 5.4581 5.4581 8.5505 8.5505 8.7388 8.7388 9.4905 9.4905 9.9676 9.9676 11.3151 11.3151 12.8223 12.8223 14.2028 14.2028 15.3794 15.3794 20.4118 20.4118 k = 0.0000 0.5000 0.0427 ( 1312 PWs) bands (ev): 2.4935 2.4935 4.5298 4.5298 5.4210 5.4210 8.5909 8.5909 8.6665 8.6665 9.5368 9.5368 9.9679 9.9679 11.3149 11.3149 12.8308 12.8308 14.2059 14.2059 15.4200 15.4200 20.3597 20.3597 k = 0.0000 0.5000 0.0512 ( 1312 PWs) bands (ev): 2.5051 2.5051 4.5417 4.5417 5.3772 5.3772 8.5889 8.5889 8.6386 8.6386 9.5832 9.5832 9.9682 9.9682 11.3147 11.3147 12.8408 12.8408 14.2098 14.2098 15.4696 15.4696 20.2973 20.2973 k = 0.0000 0.5000 0.0598 ( 1312 PWs) bands (ev): 2.5188 2.5188 4.5556 4.5556 5.3275 5.3275 8.5077 8.5077 8.6927 8.6927 9.6285 9.6285 9.9685 9.9685 11.3144 11.3144 12.8520 12.8520 14.2145 14.2145 15.5281 15.5281 20.2256 20.2256 k = 0.0000 0.5000 0.0683 ( 1312 PWs) bands (ev): 2.5346 2.5346 4.5715 4.5715 5.2726 5.2726 8.4237 8.4237 8.7523 8.7523 9.6718 9.6718 9.9690 9.9690 11.3141 11.3141 12.8641 12.8641 14.2199 14.2199 15.5953 15.5953 20.1453 20.1453 k = 0.0000 0.5000 0.0769 ( 1308 PWs) bands (ev): 2.5524 2.5524 4.5894 4.5894 5.2133 5.2133 8.3379 8.3379 8.8166 8.8166 9.7129 9.7129 9.9696 9.9696 11.3138 11.3138 12.8769 12.8769 14.2260 14.2260 15.6713 15.6713 20.0575 20.0575 k = 0.0000 0.5000 0.0854 ( 1308 PWs) bands (ev): 2.5722 2.5722 4.6091 4.6091 5.1503 5.1503 8.2508 8.2508 8.8846 8.8846 9.7513 9.7513 9.9702 9.9702 11.3135 11.3135 12.8900 12.8900 14.2330 14.2330 15.7557 15.7557 19.9631 19.9631 k = 0.0000 0.5000 0.0939 ( 1304 PWs) bands (ev): 2.5940 2.5940 4.6307 4.6307 5.0843 5.0843 8.1630 8.1630 8.9555 8.9555 9.7872 9.7872 9.9711 9.9711 11.3132 11.3132 12.9033 12.9033 14.2407 14.2407 15.8483 15.8483 19.8633 19.8633 k = 0.0000 0.5000 0.1025 ( 1300 PWs) bands (ev): 2.6177 2.6177 4.6540 4.6540 5.0159 5.0159 8.0750 8.0750 9.0285 9.0285 9.8202 9.8202 9.9722 9.9722 11.3129 11.3129 12.9165 12.9165 14.2491 14.2491 15.9490 15.9490 19.7591 19.7591 k = 0.0000 0.5000 0.1110 ( 1296 PWs) bands (ev): 2.6434 2.6434 4.6789 4.6789 4.9456 4.9456 7.9872 7.9872 9.1029 9.1029 9.8503 9.8503 9.9736 9.9736 11.3126 11.3126 12.9296 12.9296 14.2583 14.2583 16.0573 16.0573 19.6515 19.6515 k = 0.0000 0.5000 0.1196 ( 1294 PWs) bands (ev): 2.6709 2.6709 4.7052 4.7052 4.8739 4.8739 7.9001 7.9001 9.1779 9.1779 9.8774 9.8774 9.9755 9.9755 11.3123 11.3123 12.9423 12.9423 14.2683 14.2683 16.1728 16.1728 19.5417 19.5417 k = 0.0000 0.5000 0.1281 ( 1294 PWs) bands (ev): 2.7002 2.7002 4.7328 4.7328 4.8014 4.8014 7.8139 7.8139 9.2528 9.2528 9.9013 9.9013 9.9783 9.9783 11.3118 11.3118 12.9544 12.9544 14.2789 14.2789 16.2953 16.2953 19.4308 19.4308 k = 0.0000 0.5000 0.1367 ( 1302 PWs) bands (ev): 2.7312 2.7312 4.7278 4.7278 4.7621 4.7621 7.7292 7.7292 9.3269 9.3269 9.9213 9.9213 9.9825 9.9825 11.3114 11.3114 12.9659 12.9659 14.2902 14.2902 16.4241 16.4241 19.3197 19.3197 k = 0.0000 0.5000 0.1452 ( 1302 PWs) bands (ev): 2.7638 2.7638 4.6550 4.6550 4.7916 4.7916 7.6463 7.6463 9.3997 9.3997 9.9368 9.9368 9.9893 9.9893 11.3109 11.3109 12.9768 12.9768 14.3020 14.3020 16.5588 16.5588 19.2096 19.2096 k = 0.0000 0.5000 0.1537 ( 1298 PWs) bands (ev): 2.7980 2.7980 4.5823 4.5823 4.8221 4.8221 7.5657 7.5657 9.4706 9.4706 9.9473 9.9473 9.9990 9.9990 11.3106 11.3106 12.9870 12.9870 14.3144 14.3144 16.6987 16.6987 19.1014 19.1014 k = 0.0000 0.5000 0.1623 ( 1294 PWs) bands (ev): 2.8335 2.8335 4.5103 4.5103 4.8530 4.8530 7.4877 7.4877 9.5388 9.5388 9.9539 9.9539 10.0108 10.0108 11.3103 11.3103 12.9964 12.9964 14.3272 14.3272 16.8432 16.8432 18.9961 18.9961 k = 0.0000 0.5000 0.1708 ( 1292 PWs) bands (ev): 2.8701 2.8701 4.4394 4.4394 4.8841 4.8841 7.4129 7.4129 9.6038 9.6038 9.9580 9.9580 10.0234 10.0234 11.3099 11.3099 13.0051 13.0051 14.3402 14.3402 16.9914 16.9914 18.8947 18.8947 k = 0.0000 0.5000 0.1794 ( 1292 PWs) bands (ev): 2.9078 2.9078 4.3699 4.3699 4.9150 4.9150 7.3416 7.3416 9.6652 9.6652 9.9606 9.9606 10.0356 10.0356 11.3095 11.3095 13.0129 13.0129 14.3533 14.3533 17.1424 17.1424 18.7981 18.7981 k = 0.0000 0.5000 0.1879 ( 1292 PWs) bands (ev): 2.9461 2.9461 4.3024 4.3024 4.9453 4.9453 7.2745 7.2745 9.7223 9.7223 9.9625 9.9625 10.0469 10.0469 11.3091 11.3091 13.0200 13.0200 14.3663 14.3663 17.2951 17.2951 18.7072 18.7072 k = 0.0000 0.5000 0.1964 ( 1292 PWs) bands (ev): 2.9847 2.9847 4.2374 4.2374 4.9745 4.9745 7.2120 7.2120 9.7746 9.7746 9.9641 9.9641 10.0572 10.0572 11.3088 11.3088 13.0263 13.0263 14.3790 14.3790 17.4479 17.4479 18.6230 18.6230 k = 0.0000 0.5000 0.2050 ( 1304 PWs) bands (ev): 3.0230 3.0230 4.1754 4.1754 5.0022 5.0022 7.1548 7.1548 9.8214 9.8214 9.9654 9.9654 10.0664 10.0664 11.3083 11.3083 13.0317 13.0317 14.3910 14.3910 17.5990 17.5990 18.5462 18.5462 k = 0.0000 0.5000 0.2135 ( 1308 PWs) bands (ev): 3.0605 3.0605 4.1174 4.1174 5.0279 5.0279 7.1035 7.1035 9.8625 9.8625 9.9669 9.9669 10.0743 10.0743 11.3079 11.3079 13.0364 13.0364 14.4022 14.4022 17.7460 17.7460 18.4777 18.4777 k = 0.0000 0.5000 0.2221 ( 1304 PWs) bands (ev): 3.0962 3.0962 4.0642 4.0642 5.0509 5.0509 7.0586 7.0586 9.8972 9.8972 9.9689 9.9689 10.0811 10.0811 11.3077 11.3077 13.0404 13.0404 14.4123 14.4123 17.8857 17.8857 18.4184 18.4184 k = 0.0000 0.5000 0.2306 ( 1312 PWs) bands (ev): 3.1289 3.1289 4.0170 4.0170 5.0707 5.0707 7.0208 7.0208 9.9240 9.9240 9.9721 9.9721 10.0867 10.0867 11.3075 11.3075 13.0436 13.0436 14.4210 14.4210 18.0137 18.0137 18.3688 18.3688 k = 0.0000 0.5000 0.2391 ( 1312 PWs) bands (ev): 3.1571 3.1571 3.9774 3.9774 5.0868 5.0868 6.9906 6.9906 9.9418 9.9418 9.9781 9.9781 10.0912 10.0912 11.3074 11.3074 13.0461 13.0461 14.4280 14.4280 18.1245 18.1245 18.3295 18.3295 k = 0.0000 0.5000 0.2477 ( 1312 PWs) bands (ev): 3.1792 3.1792 3.9472 3.9472 5.0987 5.0987 6.9687 6.9687 9.9507 9.9507 9.9862 9.9862 10.0944 10.0944 11.3072 11.3072 13.0479 13.0479 14.4333 14.4333 18.2114 18.2114 18.3011 18.3011 k = 0.0000 0.5000 0.2562 ( 1312 PWs) bands (ev): 3.1934 3.1934 3.9281 3.9281 5.1060 5.1060 6.9554 6.9554 9.9542 9.9542 9.9928 9.9928 10.0964 10.0964 11.3072 11.3072 13.0490 13.0490 14.4364 14.4364 18.2674 18.2674 18.2839 18.2839 k = 0.0000 0.5000 0.2648 ( 1316 PWs) bands (ev): 3.1983 3.1983 3.9216 3.9216 5.1085 5.1085 6.9509 6.9509 9.9551 9.9551 9.9953 9.9953 10.0971 10.0971 11.3070 11.3070 13.0493 13.0493 14.4375 14.4375 18.2781 18.2781 18.2868 18.2868 k = 0.5000 0.5000-0.0000 ( 1272 PWs) bands (ev): 3.9984 3.9984 7.7296 7.7296 7.7413 7.7413 8.0217 8.0217 8.0508 8.0508 10.2981 10.2981 10.4659 10.4659 12.6380 12.6380 13.2734 13.2734 15.3044 15.3044 15.9729 15.9729 16.0242 16.0242 k = 0.5000 0.5000 0.0085 ( 1272 PWs) bands (ev): 3.9988 3.9988 7.7260 7.7260 7.7377 7.7377 8.0258 8.0258 8.0549 8.0549 10.2932 10.2932 10.4667 10.4667 12.6380 12.6380 13.2806 13.2806 15.3020 15.3020 15.9360 15.9360 15.9834 15.9834 k = 0.5000 0.5000 0.0171 ( 1272 PWs) bands (ev): 4.0000 4.0000 7.7159 7.7159 7.7277 7.7277 8.0376 8.0376 8.0667 8.0667 10.2785 10.2785 10.4690 10.4690 12.6380 12.6380 13.3019 13.3019 15.2947 15.2947 15.8493 15.8493 15.8911 15.8911 k = 0.5000 0.5000 0.0256 ( 1272 PWs) bands (ev): 4.0020 4.0020 7.7006 7.7006 7.7124 7.7124 8.0557 8.0557 8.0848 8.0848 10.2547 10.2547 10.4730 10.4730 12.6380 12.6380 13.3367 13.3367 15.2825 15.2825 15.7430 15.7430 15.7806 15.7806 k = 0.5000 0.5000 0.0342 ( 1272 PWs) bands (ev): 4.0048 4.0048 7.6816 7.6816 7.6934 7.6934 8.0785 8.0785 8.1078 8.1078 10.2224 10.2224 10.4785 10.4785 12.6379 12.6379 13.3844 13.3844 15.2654 15.2654 15.6303 15.6303 15.6645 15.6645 k = 0.5000 0.5000 0.0427 ( 1292 PWs) bands (ev): 4.0083 4.0083 7.6601 7.6601 7.6717 7.6717 8.1046 8.1046 8.1342 8.1342 10.1826 10.1826 10.4851 10.4851 12.6378 12.6378 13.4438 13.4438 15.2432 15.2432 15.5166 15.5166 15.5475 15.5475 k = 0.5000 0.5000 0.0512 ( 1292 PWs) bands (ev): 4.0126 4.0126 7.6374 7.6374 7.6487 7.6487 8.1332 8.1332 8.1633 8.1633 10.1363 10.1363 10.4936 10.4936 12.6378 12.6378 13.5137 13.5137 15.2154 15.2154 15.4048 15.4048 15.4316 15.4316 k = 0.5000 0.5000 0.0598 ( 1292 PWs) bands (ev): 4.0175 4.0175 7.6140 7.6140 7.6250 7.6250 8.1635 8.1635 8.1941 8.1941 10.0847 10.0847 10.5035 10.5035 12.6377 12.6377 13.5929 13.5929 15.1800 15.1800 15.2985 15.2985 15.3177 15.3177 k = 0.5000 0.5000 0.0683 ( 1292 PWs) bands (ev): 4.0232 4.0232 7.5903 7.5903 7.6010 7.6010 8.1949 8.1949 8.2261 8.2261 10.0288 10.0288 10.5147 10.5147 12.6377 12.6377 13.6802 13.6802 15.1277 15.1277 15.2063 15.2063 15.2076 15.2076 k = 0.5000 0.5000 0.0769 ( 1292 PWs) bands (ev): 4.0294 4.0294 7.5668 7.5668 7.5770 7.5770 8.2271 8.2271 8.2589 8.2589 9.9697 9.9697 10.5272 10.5272 12.6376 12.6376 13.7743 13.7743 15.0459 15.0459 15.0979 15.0979 15.1455 15.1455 k = 0.5000 0.5000 0.0854 ( 1300 PWs) bands (ev): 4.0362 4.0362 7.5434 7.5434 7.5533 7.5533 8.2597 8.2597 8.2923 8.2923 9.9083 9.9083 10.5408 10.5408 12.6374 12.6374 13.8739 13.8739 14.9496 14.9496 14.9926 14.9926 15.0978 15.0978 k = 0.5000 0.5000 0.0939 ( 1292 PWs) bands (ev): 4.0434 4.0434 7.5208 7.5208 7.5302 7.5302 8.2926 8.2926 8.3258 8.3258 9.8454 9.8454 10.5557 10.5557 12.6374 12.6374 13.9780 13.9780 14.8518 14.8518 14.8908 14.8908 15.0523 15.0523 k = 0.5000 0.5000 0.1025 ( 1292 PWs) bands (ev): 4.0511 4.0511 7.4987 7.4987 7.5077 7.5077 8.3253 8.3253 8.3594 8.3594 9.7819 9.7819 10.5714 10.5714 12.6373 12.6373 14.0852 14.0852 14.7560 14.7560 14.7925 14.7925 15.0060 15.0060 k = 0.5000 0.5000 0.1110 ( 1284 PWs) bands (ev): 4.0592 4.0592 7.4775 7.4775 7.4861 7.4861 8.3579 8.3579 8.3927 8.3927 9.7184 9.7184 10.5880 10.5880 12.6374 12.6374 14.1945 14.1945 14.6632 14.6632 14.6981 14.6981 14.9585 14.9585 k = 0.5000 0.5000 0.1196 ( 1292 PWs) bands (ev): 4.0675 4.0675 7.4570 7.4570 7.4652 7.4652 8.3900 8.3900 8.4256 8.4256 9.6556 9.6556 10.6051 10.6051 12.6373 12.6373 14.3046 14.3046 14.5739 14.5739 14.6077 14.6077 14.9099 14.9099 k = 0.5000 0.5000 0.1281 ( 1292 PWs) bands (ev): 4.0760 4.0760 7.4375 7.4375 7.4452 7.4452 8.4215 8.4215 8.4579 8.4579 9.5939 9.5939 10.6229 10.6229 12.6373 12.6373 14.4132 14.4132 14.4884 14.4884 14.5227 14.5227 14.8607 14.8607 k = 0.5000 0.5000 0.1367 ( 1292 PWs) bands (ev): 4.0846 4.0846 7.4190 7.4190 7.4263 7.4263 8.4522 8.4522 8.4894 8.4894 9.5338 9.5338 10.6411 10.6411 12.6373 12.6373 14.4070 14.4070 14.4345 14.4345 14.5280 14.5280 14.8112 14.8112 k = 0.5000 0.5000 0.1452 ( 1292 PWs) bands (ev): 4.0933 4.0933 7.4015 7.4015 7.4084 7.4084 8.4820 8.4820 8.5200 8.5200 9.4759 9.4759 10.6595 10.6595 12.6372 12.6372 14.3298 14.3298 14.3585 14.3585 14.6326 14.6326 14.7620 14.7620 k = 0.5000 0.5000 0.1537 ( 1288 PWs) bands (ev): 4.1019 4.1019 7.3850 7.3850 7.3916 7.3916 8.5106 8.5106 8.5494 8.5494 9.4204 9.4204 10.6781 10.6781 12.6372 12.6372 14.2571 14.2571 14.2853 14.2853 14.7135 14.7135 14.7353 14.7353 k = 0.5000 0.5000 0.1623 ( 1288 PWs) bands (ev): 4.1103 4.1103 7.3697 7.3697 7.3759 7.3759 8.5380 8.5380 8.5775 8.5775 9.3677 9.3677 10.6963 10.6963 12.6371 12.6371 14.1889 14.1889 14.2165 14.2165 14.6661 14.6661 14.8336 14.8336 k = 0.5000 0.5000 0.1708 ( 1288 PWs) bands (ev): 4.1185 4.1185 7.3555 7.3555 7.3614 7.3614 8.5640 8.5640 8.6042 8.6042 9.3182 9.3182 10.7142 10.7142 12.6371 12.6371 14.1255 14.1255 14.1524 14.1524 14.6204 14.6204 14.9263 14.9263 k = 0.5000 0.5000 0.1794 ( 1288 PWs) bands (ev): 4.1264 4.1264 7.3424 7.3424 7.3481 7.3481 8.5883 8.5883 8.6292 8.6292 9.2721 9.2721 10.7315 10.7315 12.6370 12.6370 14.0670 14.0670 14.0932 14.0932 14.5769 14.5769 15.0125 15.0125 k = 0.5000 0.5000 0.1879 ( 1288 PWs) bands (ev): 4.1338 4.1338 7.3306 7.3306 7.3360 7.3360 8.6109 8.6109 8.6524 8.6524 9.2296 9.2296 10.7481 10.7481 12.6370 12.6370 14.0136 14.0136 14.0391 14.0391 14.5359 14.5359 15.0913 15.0913 k = 0.5000 0.5000 0.1964 ( 1288 PWs) bands (ev): 4.1407 4.1407 7.3199 7.3199 7.3250 7.3250 8.6315 8.6315 8.6736 8.6736 9.1910 9.1910 10.7636 10.7636 12.6369 12.6369 13.9653 13.9653 13.9903 13.9903 14.4980 14.4980 15.1622 15.1622 k = 0.5000 0.5000 0.2050 ( 1288 PWs) bands (ev): 4.1470 4.1470 7.3104 7.3104 7.3154 7.3154 8.6501 8.6501 8.6928 8.6928 9.1565 9.1565 10.7779 10.7779 12.6369 12.6369 13.9223 13.9223 13.9468 13.9468 14.4634 14.4634 15.2247 15.2247 k = 0.5000 0.5000 0.2135 ( 1288 PWs) bands (ev): 4.1527 4.1527 7.3022 7.3022 7.3070 7.3070 8.6665 8.6665 8.7096 8.7096 9.1262 9.1262 10.7907 10.7907 12.6369 12.6369 13.8848 13.8848 13.9089 13.9089 14.4327 14.4327 15.2787 15.2787 k = 0.5000 0.5000 0.2221 ( 1296 PWs) bands (ev): 4.1575 4.1575 7.2952 7.2952 7.2998 7.2998 8.6807 8.6807 8.7242 8.7242 9.1004 9.1004 10.8020 10.8020 12.6368 12.6368 13.8529 13.8529 13.8765 13.8765 14.4060 14.4060 15.3240 15.3240 k = 0.5000 0.5000 0.2306 ( 1288 PWs) bands (ev): 4.1617 4.1617 7.2896 7.2896 7.2941 7.2941 8.6924 8.6924 8.7362 8.7362 9.0790 9.0790 10.8114 10.8114 12.6367 12.6367 13.8266 13.8266 13.8499 13.8499 14.3838 14.3838 15.3608 15.3608 k = 0.5000 0.5000 0.2391 ( 1292 PWs) bands (ev): 4.1649 4.1649 7.2852 7.2852 7.2895 7.2895 8.7016 8.7016 8.7457 8.7457 9.0624 9.0624 10.8188 10.8188 12.6367 12.6367 13.8061 13.8061 13.8291 13.8291 14.3663 14.3663 15.3891 15.3891 k = 0.5000 0.5000 0.2477 ( 1284 PWs) bands (ev): 4.1673 4.1673 7.2821 7.2821 7.2864 7.2864 8.7082 8.7082 8.7525 8.7525 9.0504 9.0504 10.8243 10.8243 12.6367 12.6367 13.7914 13.7914 13.8142 13.8142 14.3536 14.3536 15.4092 15.4092 k = 0.5000 0.5000 0.2562 ( 1280 PWs) bands (ev): 4.1688 4.1688 7.2802 7.2802 7.2844 7.2844 8.7122 8.7122 8.7566 8.7566 9.0432 9.0432 10.8277 10.8277 12.6367 12.6367 13.7826 13.7826 13.8053 13.8053 14.3459 14.3459 15.4212 15.4212 k = 0.5000 0.5000 0.2648 ( 1280 PWs) bands (ev): 4.1693 4.1693 7.2796 7.2796 7.2838 7.2838 8.7135 8.7135 8.7579 8.7579 9.0408 9.0408 10.8288 10.8288 12.6367 12.6367 13.7797 13.7797 13.8023 13.8023 14.3433 14.3433 15.4252 15.4252 Writing output data file FeSi2.save init_run : 0.12s CPU 0.27s WALL ( 1 calls) electrons : 57.62s CPU 59.33s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 57.62s CPU 59.31s 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 : 0.04s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.03s WALL ( 504 calls) cegterg : 52.38s CPU 53.53s WALL ( 620 calls) Called by sum_band: Called by *egterg: h_psi : 25.23s CPU 26.02s WALL ( 9964 calls) s_psi : 1.86s CPU 1.87s WALL ( 9964 calls) g_psi : 0.06s CPU 0.06s WALL ( 8840 calls) cdiaghg : 25.18s CPU 25.55s WALL ( 9344 calls) cegterg:over : 1.27s CPU 1.46s WALL ( 8840 calls) cegterg:upda : 1.14s CPU 1.12s WALL ( 8840 calls) cegterg:last : 0.52s CPU 0.54s WALL ( 1687 calls) cdiaghg:chol : 1.32s CPU 1.29s WALL ( 9344 calls) cdiaghg:inve : 0.39s CPU 0.40s WALL ( 9344 calls) cdiaghg:para : 1.76s CPU 1.69s WALL ( 18688 calls) Called by h_psi: h_psi:vloc : 21.14s CPU 21.75s WALL ( 9964 calls) h_psi:vnl : 4.06s CPU 4.22s WALL ( 9964 calls) add_vuspsi : 2.21s CPU 2.38s WALL ( 9964 calls) General routines calbec : 1.82s CPU 1.82s WALL ( 9964 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 20.04s CPU 20.65s WALL ( 542432 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.11s WALL ( 1008 calls) Parallel routines fft_scatter : 9.80s CPU 10.46s WALL ( 542455 calls) PWSCF : 1m 5.96s CPU 1m20.80s WALL This run was terminated on: 18:24:55 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=