Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:15:45 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: ./FePt.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 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 25 10 3 782 212 39 Max 27 11 4 789 229 44 Sum 917 385 129 28275 7847 1473 bravais-lattice index = 14 lattice parameter (alat) = 5.1467 a.u. unit-cell volume = 186.2062 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.146669 celldm(2)= 1.000000 celldm(3)= 1.365889 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 1.365889 ) 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 0.732124 ) 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 Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 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) Pt 10.00 195.08400 Pt( 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= 534 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018727 k( 2) = ( 0.0000000 0.0086207 -0.0000000), wk = 0.0018727 k( 3) = ( 0.0000000 0.0172414 -0.0000000), wk = 0.0018727 k( 4) = ( 0.0000000 0.0258621 -0.0000000), wk = 0.0018727 k( 5) = ( 0.0000000 0.0344828 -0.0000000), wk = 0.0018727 k( 6) = ( 0.0000000 0.0431035 -0.0000000), wk = 0.0018727 k( 7) = ( 0.0000000 0.0517241 -0.0000000), wk = 0.0018727 k( 8) = ( 0.0000000 0.0603448 -0.0000000), wk = 0.0018727 k( 9) = ( 0.0000000 0.0689655 -0.0000000), wk = 0.0018727 k( 10) = ( 0.0000000 0.0775862 -0.0000000), wk = 0.0018727 k( 11) = ( 0.0000000 0.0862069 -0.0000000), wk = 0.0018727 k( 12) = ( 0.0000000 0.0948276 -0.0000000), wk = 0.0018727 k( 13) = ( 0.0000000 0.1034483 -0.0000000), wk = 0.0018727 k( 14) = ( 0.0000000 0.1120690 -0.0000000), wk = 0.0018727 k( 15) = ( 0.0000000 0.1206897 -0.0000000), wk = 0.0018727 k( 16) = ( 0.0000000 0.1293103 -0.0000000), wk = 0.0018727 k( 17) = ( 0.0000000 0.1379310 -0.0000000), wk = 0.0018727 k( 18) = ( 0.0000000 0.1465517 -0.0000000), wk = 0.0018727 k( 19) = ( 0.0000000 0.1551724 -0.0000000), wk = 0.0018727 k( 20) = ( 0.0000000 0.1637931 -0.0000000), wk = 0.0018727 k( 21) = ( 0.0000000 0.1724138 -0.0000000), wk = 0.0018727 k( 22) = ( 0.0000000 0.1810345 -0.0000000), wk = 0.0018727 k( 23) = ( 0.0000000 0.1896552 -0.0000000), wk = 0.0018727 k( 24) = ( 0.0000000 0.1982759 -0.0000000), wk = 0.0018727 k( 25) = ( 0.0000000 0.2068966 -0.0000000), wk = 0.0018727 k( 26) = ( 0.0000000 0.2155172 -0.0000000), wk = 0.0018727 k( 27) = ( 0.0000000 0.2241379 -0.0000000), wk = 0.0018727 k( 28) = ( 0.0000000 0.2327586 -0.0000000), wk = 0.0018727 k( 29) = ( 0.0000000 0.2413793 -0.0000000), wk = 0.0018727 k( 30) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0018727 k( 31) = ( 0.0000000 0.2586207 -0.0000000), wk = 0.0018727 k( 32) = ( 0.0000000 0.2672414 -0.0000000), wk = 0.0018727 k( 33) = ( 0.0000000 0.2758621 -0.0000000), wk = 0.0018727 k( 34) = ( 0.0000000 0.2844828 -0.0000000), wk = 0.0018727 k( 35) = ( 0.0000000 0.2931034 -0.0000000), wk = 0.0018727 k( 36) = ( 0.0000000 0.3017241 -0.0000000), wk = 0.0018727 k( 37) = ( 0.0000000 0.3103448 -0.0000000), wk = 0.0018727 k( 38) = ( 0.0000000 0.3189655 -0.0000000), wk = 0.0018727 k( 39) = ( 0.0000000 0.3275862 -0.0000000), wk = 0.0018727 k( 40) = ( 0.0000000 0.3362069 -0.0000000), wk = 0.0018727 k( 41) = ( 0.0000000 0.3448276 -0.0000000), wk = 0.0018727 k( 42) = ( 0.0000000 0.3534483 -0.0000000), wk = 0.0018727 k( 43) = ( 0.0000000 0.3620690 -0.0000000), wk = 0.0018727 k( 44) = ( 0.0000000 0.3706897 -0.0000000), wk = 0.0018727 k( 45) = ( 0.0000000 0.3793103 -0.0000000), wk = 0.0018727 k( 46) = ( 0.0000000 0.3879310 -0.0000000), wk = 0.0018727 k( 47) = ( 0.0000000 0.3965517 -0.0000000), wk = 0.0018727 k( 48) = ( 0.0000000 0.4051724 -0.0000000), wk = 0.0018727 k( 49) = ( 0.0000000 0.4137931 -0.0000000), wk = 0.0018727 k( 50) = ( 0.0000000 0.4224138 -0.0000000), wk = 0.0018727 k( 51) = ( 0.0000000 0.4310345 -0.0000000), wk = 0.0018727 k( 52) = ( 0.0000000 0.4396552 -0.0000000), wk = 0.0018727 k( 53) = ( 0.0000000 0.4482759 -0.0000000), wk = 0.0018727 k( 54) = ( 0.0000000 0.4568966 -0.0000000), wk = 0.0018727 k( 55) = ( 0.0000000 0.4655172 -0.0000000), wk = 0.0018727 k( 56) = ( 0.0000000 0.4741379 -0.0000000), wk = 0.0018727 k( 57) = ( 0.0000000 0.4827586 -0.0000000), wk = 0.0018727 k( 58) = ( 0.0000000 0.4913793 -0.0000000), wk = 0.0018727 k( 59) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0018727 k( 60) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0018727 k( 61) = ( 0.0086207 0.5000000 -0.0000000), wk = 0.0018727 k( 62) = ( 0.0172414 0.5000000 -0.0000000), wk = 0.0018727 k( 63) = ( 0.0258621 0.5000000 -0.0000000), wk = 0.0018727 k( 64) = ( 0.0344828 0.5000000 -0.0000000), wk = 0.0018727 k( 65) = ( 0.0431035 0.5000000 -0.0000000), wk = 0.0018727 k( 66) = ( 0.0517241 0.5000000 -0.0000000), wk = 0.0018727 k( 67) = ( 0.0603448 0.5000000 -0.0000000), wk = 0.0018727 k( 68) = ( 0.0689655 0.5000000 -0.0000000), wk = 0.0018727 k( 69) = ( 0.0775862 0.5000000 -0.0000000), wk = 0.0018727 k( 70) = ( 0.0862069 0.5000000 -0.0000000), wk = 0.0018727 k( 71) = ( 0.0948276 0.5000000 -0.0000000), wk = 0.0018727 k( 72) = ( 0.1034483 0.5000000 -0.0000000), wk = 0.0018727 k( 73) = ( 0.1120690 0.5000000 -0.0000000), wk = 0.0018727 k( 74) = ( 0.1206897 0.5000000 -0.0000000), wk = 0.0018727 k( 75) = ( 0.1293103 0.5000000 -0.0000000), wk = 0.0018727 k( 76) = ( 0.1379310 0.5000000 -0.0000000), wk = 0.0018727 k( 77) = ( 0.1465517 0.5000000 -0.0000000), wk = 0.0018727 k( 78) = ( 0.1551724 0.5000000 -0.0000000), wk = 0.0018727 k( 79) = ( 0.1637931 0.5000000 -0.0000000), wk = 0.0018727 k( 80) = ( 0.1724138 0.5000000 -0.0000000), wk = 0.0018727 k( 81) = ( 0.1810345 0.5000000 -0.0000000), wk = 0.0018727 k( 82) = ( 0.1896552 0.5000000 -0.0000000), wk = 0.0018727 k( 83) = ( 0.1982759 0.5000000 -0.0000000), wk = 0.0018727 k( 84) = ( 0.2068966 0.5000000 -0.0000000), wk = 0.0018727 k( 85) = ( 0.2155172 0.5000000 -0.0000000), wk = 0.0018727 k( 86) = ( 0.2241379 0.5000000 -0.0000000), wk = 0.0018727 k( 87) = ( 0.2327586 0.5000000 -0.0000000), wk = 0.0018727 k( 88) = ( 0.2413793 0.5000000 -0.0000000), wk = 0.0018727 k( 89) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0018727 k( 90) = ( 0.2586207 0.5000000 -0.0000000), wk = 0.0018727 k( 91) = ( 0.2672414 0.5000000 -0.0000000), wk = 0.0018727 k( 92) = ( 0.2758621 0.5000000 -0.0000000), wk = 0.0018727 k( 93) = ( 0.2844828 0.5000000 -0.0000000), wk = 0.0018727 k( 94) = ( 0.2931034 0.5000000 -0.0000000), wk = 0.0018727 k( 95) = ( 0.3017241 0.5000000 -0.0000000), wk = 0.0018727 k( 96) = ( 0.3103448 0.5000000 -0.0000000), wk = 0.0018727 k( 97) = ( 0.3189655 0.5000000 -0.0000000), wk = 0.0018727 k( 98) = ( 0.3275862 0.5000000 -0.0000000), wk = 0.0018727 k( 99) = ( 0.3362069 0.5000000 -0.0000000), wk = 0.0018727 k( 100) = ( 0.3448276 0.5000000 -0.0000000), wk = 0.0018727 k( 101) = ( 0.3534483 0.5000000 -0.0000000), wk = 0.0018727 k( 102) = ( 0.3620690 0.5000000 -0.0000000), wk = 0.0018727 k( 103) = ( 0.3706897 0.5000000 -0.0000000), wk = 0.0018727 k( 104) = ( 0.3793103 0.5000000 -0.0000000), wk = 0.0018727 k( 105) = ( 0.3879310 0.5000000 -0.0000000), wk = 0.0018727 k( 106) = ( 0.3965517 0.5000000 -0.0000000), wk = 0.0018727 k( 107) = ( 0.4051724 0.5000000 -0.0000000), wk = 0.0018727 k( 108) = ( 0.4137931 0.5000000 -0.0000000), wk = 0.0018727 k( 109) = ( 0.4224138 0.5000000 -0.0000000), wk = 0.0018727 k( 110) = ( 0.4310345 0.5000000 -0.0000000), wk = 0.0018727 k( 111) = ( 0.4396552 0.5000000 -0.0000000), wk = 0.0018727 k( 112) = ( 0.4482759 0.5000000 -0.0000000), wk = 0.0018727 k( 113) = ( 0.4568966 0.5000000 -0.0000000), wk = 0.0018727 k( 114) = ( 0.4655172 0.5000000 -0.0000000), wk = 0.0018727 k( 115) = ( 0.4741379 0.5000000 -0.0000000), wk = 0.0018727 k( 116) = ( 0.4827586 0.5000000 -0.0000000), wk = 0.0018727 k( 117) = ( 0.4913793 0.5000000 -0.0000000), wk = 0.0018727 k( 118) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0018727 k( 119) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0018727 k( 120) = ( 0.4939024 0.4939024 -0.0000000), wk = 0.0018727 k( 121) = ( 0.4878049 0.4878049 -0.0000000), wk = 0.0018727 k( 122) = ( 0.4817073 0.4817073 -0.0000000), wk = 0.0018727 k( 123) = ( 0.4756098 0.4756098 -0.0000000), wk = 0.0018727 k( 124) = ( 0.4695122 0.4695122 -0.0000000), wk = 0.0018727 k( 125) = ( 0.4634146 0.4634146 -0.0000000), wk = 0.0018727 k( 126) = ( 0.4573171 0.4573171 -0.0000000), wk = 0.0018727 k( 127) = ( 0.4512195 0.4512195 -0.0000000), wk = 0.0018727 k( 128) = ( 0.4451219 0.4451219 -0.0000000), wk = 0.0018727 k( 129) = ( 0.4390244 0.4390244 -0.0000000), wk = 0.0018727 k( 130) = ( 0.4329268 0.4329268 -0.0000000), wk = 0.0018727 k( 131) = ( 0.4268293 0.4268293 -0.0000000), wk = 0.0018727 k( 132) = ( 0.4207317 0.4207317 -0.0000000), wk = 0.0018727 k( 133) = ( 0.4146341 0.4146341 -0.0000000), wk = 0.0018727 k( 134) = ( 0.4085366 0.4085366 -0.0000000), wk = 0.0018727 k( 135) = ( 0.4024390 0.4024390 -0.0000000), wk = 0.0018727 k( 136) = ( 0.3963415 0.3963415 -0.0000000), wk = 0.0018727 k( 137) = ( 0.3902439 0.3902439 -0.0000000), wk = 0.0018727 k( 138) = ( 0.3841463 0.3841463 -0.0000000), wk = 0.0018727 k( 139) = ( 0.3780488 0.3780488 -0.0000000), wk = 0.0018727 k( 140) = ( 0.3719512 0.3719512 -0.0000000), wk = 0.0018727 k( 141) = ( 0.3658537 0.3658537 -0.0000000), wk = 0.0018727 k( 142) = ( 0.3597561 0.3597561 -0.0000000), wk = 0.0018727 k( 143) = ( 0.3536585 0.3536585 -0.0000000), wk = 0.0018727 k( 144) = ( 0.3475610 0.3475610 -0.0000000), wk = 0.0018727 k( 145) = ( 0.3414634 0.3414634 -0.0000000), wk = 0.0018727 k( 146) = ( 0.3353659 0.3353658 -0.0000000), wk = 0.0018727 k( 147) = ( 0.3292683 0.3292683 -0.0000000), wk = 0.0018727 k( 148) = ( 0.3231707 0.3231707 -0.0000000), wk = 0.0018727 k( 149) = ( 0.3170732 0.3170732 -0.0000000), wk = 0.0018727 k( 150) = ( 0.3109756 0.3109756 -0.0000000), wk = 0.0018727 k( 151) = ( 0.3048781 0.3048780 -0.0000000), wk = 0.0018727 k( 152) = ( 0.2987805 0.2987805 -0.0000000), wk = 0.0018727 k( 153) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0018727 k( 154) = ( 0.2865854 0.2865854 -0.0000000), wk = 0.0018727 k( 155) = ( 0.2804878 0.2804878 -0.0000000), wk = 0.0018727 k( 156) = ( 0.2743902 0.2743902 -0.0000000), wk = 0.0018727 k( 157) = ( 0.2682927 0.2682927 -0.0000000), wk = 0.0018727 k( 158) = ( 0.2621951 0.2621951 -0.0000000), wk = 0.0018727 k( 159) = ( 0.2560976 0.2560976 -0.0000000), wk = 0.0018727 k( 160) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0018727 k( 161) = ( 0.2439024 0.2439024 -0.0000000), wk = 0.0018727 k( 162) = ( 0.2378049 0.2378049 -0.0000000), wk = 0.0018727 k( 163) = ( 0.2317073 0.2317073 -0.0000000), wk = 0.0018727 k( 164) = ( 0.2256098 0.2256098 -0.0000000), wk = 0.0018727 k( 165) = ( 0.2195122 0.2195122 -0.0000000), wk = 0.0018727 k( 166) = ( 0.2134146 0.2134146 -0.0000000), wk = 0.0018727 k( 167) = ( 0.2073171 0.2073171 -0.0000000), wk = 0.0018727 k( 168) = ( 0.2012195 0.2012195 -0.0000000), wk = 0.0018727 k( 169) = ( 0.1951219 0.1951219 -0.0000000), wk = 0.0018727 k( 170) = ( 0.1890244 0.1890244 -0.0000000), wk = 0.0018727 k( 171) = ( 0.1829268 0.1829268 -0.0000000), wk = 0.0018727 k( 172) = ( 0.1768293 0.1768293 -0.0000000), wk = 0.0018727 k( 173) = ( 0.1707317 0.1707317 -0.0000000), wk = 0.0018727 k( 174) = ( 0.1646342 0.1646341 -0.0000000), wk = 0.0018727 k( 175) = ( 0.1585366 0.1585366 -0.0000000), wk = 0.0018727 k( 176) = ( 0.1524390 0.1524390 -0.0000000), wk = 0.0018727 k( 177) = ( 0.1463415 0.1463415 -0.0000000), wk = 0.0018727 k( 178) = ( 0.1402439 0.1402439 -0.0000000), wk = 0.0018727 k( 179) = ( 0.1341463 0.1341463 -0.0000000), wk = 0.0018727 k( 180) = ( 0.1280488 0.1280488 -0.0000000), wk = 0.0018727 k( 181) = ( 0.1219512 0.1219512 -0.0000000), wk = 0.0018727 k( 182) = ( 0.1158537 0.1158537 -0.0000000), wk = 0.0018727 k( 183) = ( 0.1097561 0.1097561 -0.0000000), wk = 0.0018727 k( 184) = ( 0.1036585 0.1036585 -0.0000000), wk = 0.0018727 k( 185) = ( 0.0975610 0.0975610 -0.0000000), wk = 0.0018727 k( 186) = ( 0.0914634 0.0914634 -0.0000000), wk = 0.0018727 k( 187) = ( 0.0853658 0.0853658 -0.0000000), wk = 0.0018727 k( 188) = ( 0.0792683 0.0792683 -0.0000000), wk = 0.0018727 k( 189) = ( 0.0731707 0.0731707 -0.0000000), wk = 0.0018727 k( 190) = ( 0.0670732 0.0670732 -0.0000000), wk = 0.0018727 k( 191) = ( 0.0609756 0.0609756 -0.0000000), wk = 0.0018727 k( 192) = ( 0.0548780 0.0548780 -0.0000000), wk = 0.0018727 k( 193) = ( 0.0487805 0.0487805 -0.0000000), wk = 0.0018727 k( 194) = ( 0.0426829 0.0426829 -0.0000000), wk = 0.0018727 k( 195) = ( 0.0365854 0.0365854 -0.0000000), wk = 0.0018727 k( 196) = ( 0.0304878 0.0304878 -0.0000000), wk = 0.0018727 k( 197) = ( 0.0243902 0.0243902 -0.0000000), wk = 0.0018727 k( 198) = ( 0.0182927 0.0182927 -0.0000000), wk = 0.0018727 k( 199) = ( 0.0121951 0.0121951 -0.0000000), wk = 0.0018727 k( 200) = ( 0.0060976 0.0060976 -0.0000000), wk = 0.0018727 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018727 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018727 k( 203) = ( 0.0000000 0.0000000 0.0085131), wk = 0.0018727 k( 204) = ( 0.0000000 0.0000000 0.0170261), wk = 0.0018727 k( 205) = ( 0.0000000 0.0000000 0.0255392), wk = 0.0018727 k( 206) = ( 0.0000000 0.0000000 0.0340523), wk = 0.0018727 k( 207) = ( 0.0000000 0.0000000 0.0425653), wk = 0.0018727 k( 208) = ( 0.0000000 0.0000000 0.0510784), wk = 0.0018727 k( 209) = ( 0.0000000 0.0000000 0.0595915), wk = 0.0018727 k( 210) = ( 0.0000000 0.0000000 0.0681045), wk = 0.0018727 k( 211) = ( 0.0000000 0.0000000 0.0766176), wk = 0.0018727 k( 212) = ( 0.0000000 0.0000000 0.0851307), wk = 0.0018727 k( 213) = ( 0.0000000 0.0000000 0.0936437), wk = 0.0018727 k( 214) = ( 0.0000000 0.0000000 0.1021568), wk = 0.0018727 k( 215) = ( 0.0000000 0.0000000 0.1106699), wk = 0.0018727 k( 216) = ( 0.0000000 0.0000000 0.1191829), wk = 0.0018727 k( 217) = ( 0.0000000 0.0000000 0.1276960), wk = 0.0018727 k( 218) = ( 0.0000000 0.0000000 0.1362091), wk = 0.0018727 k( 219) = ( 0.0000000 0.0000000 0.1447221), wk = 0.0018727 k( 220) = ( 0.0000000 0.0000000 0.1532352), wk = 0.0018727 k( 221) = ( 0.0000000 0.0000000 0.1617482), wk = 0.0018727 k( 222) = ( 0.0000000 0.0000000 0.1702613), wk = 0.0018727 k( 223) = ( 0.0000000 0.0000000 0.1787744), wk = 0.0018727 k( 224) = ( 0.0000000 0.0000000 0.1872874), wk = 0.0018727 k( 225) = ( 0.0000000 0.0000000 0.1958005), wk = 0.0018727 k( 226) = ( 0.0000000 0.0000000 0.2043136), wk = 0.0018727 k( 227) = ( 0.0000000 0.0000000 0.2128266), wk = 0.0018727 k( 228) = ( 0.0000000 0.0000000 0.2213397), wk = 0.0018727 k( 229) = ( 0.0000000 0.0000000 0.2298528), wk = 0.0018727 k( 230) = ( 0.0000000 0.0000000 0.2383658), wk = 0.0018727 k( 231) = ( 0.0000000 0.0000000 0.2468789), wk = 0.0018727 k( 232) = ( 0.0000000 0.0000000 0.2553920), wk = 0.0018727 k( 233) = ( 0.0000000 0.0000000 0.2639050), wk = 0.0018727 k( 234) = ( 0.0000000 0.0000000 0.2724181), wk = 0.0018727 k( 235) = ( 0.0000000 0.0000000 0.2809312), wk = 0.0018727 k( 236) = ( 0.0000000 0.0000000 0.2894442), wk = 0.0018727 k( 237) = ( 0.0000000 0.0000000 0.2979573), wk = 0.0018727 k( 238) = ( 0.0000000 0.0000000 0.3064704), wk = 0.0018727 k( 239) = ( 0.0000000 0.0000000 0.3149834), wk = 0.0018727 k( 240) = ( 0.0000000 0.0000000 0.3234965), wk = 0.0018727 k( 241) = ( 0.0000000 0.0000000 0.3320096), wk = 0.0018727 k( 242) = ( 0.0000000 0.0000000 0.3405226), wk = 0.0018727 k( 243) = ( 0.0000000 0.0000000 0.3490357), wk = 0.0018727 k( 244) = ( 0.0000000 0.0000000 0.3575488), wk = 0.0018727 k( 245) = ( 0.0000000 0.0000000 0.3660618), wk = 0.0018727 k( 246) = ( 0.0000000 0.0000000 0.3660618), wk = 0.0018727 k( 247) = ( 0.0000000 0.0086207 0.3660618), wk = 0.0018727 k( 248) = ( 0.0000000 0.0172414 0.3660618), wk = 0.0018727 k( 249) = ( 0.0000000 0.0258621 0.3660618), wk = 0.0018727 k( 250) = ( 0.0000000 0.0344828 0.3660618), wk = 0.0018727 k( 251) = ( 0.0000000 0.0431035 0.3660618), wk = 0.0018727 k( 252) = ( 0.0000000 0.0517241 0.3660618), wk = 0.0018727 k( 253) = ( 0.0000000 0.0603448 0.3660618), wk = 0.0018727 k( 254) = ( 0.0000000 0.0689655 0.3660618), wk = 0.0018727 k( 255) = ( 0.0000000 0.0775862 0.3660618), wk = 0.0018727 k( 256) = ( 0.0000000 0.0862069 0.3660618), wk = 0.0018727 k( 257) = ( 0.0000000 0.0948276 0.3660618), wk = 0.0018727 k( 258) = ( 0.0000000 0.1034483 0.3660618), wk = 0.0018727 k( 259) = ( 0.0000000 0.1120690 0.3660618), wk = 0.0018727 k( 260) = ( 0.0000000 0.1206897 0.3660618), wk = 0.0018727 k( 261) = ( 0.0000000 0.1293103 0.3660618), wk = 0.0018727 k( 262) = ( 0.0000000 0.1379310 0.3660618), wk = 0.0018727 k( 263) = ( 0.0000000 0.1465517 0.3660618), wk = 0.0018727 k( 264) = ( 0.0000000 0.1551724 0.3660618), wk = 0.0018727 k( 265) = ( 0.0000000 0.1637931 0.3660618), wk = 0.0018727 k( 266) = ( 0.0000000 0.1724138 0.3660618), wk = 0.0018727 k( 267) = ( 0.0000000 0.1810345 0.3660618), wk = 0.0018727 k( 268) = ( 0.0000000 0.1896552 0.3660618), wk = 0.0018727 k( 269) = ( 0.0000000 0.1982759 0.3660618), wk = 0.0018727 k( 270) = ( 0.0000000 0.2068966 0.3660618), wk = 0.0018727 k( 271) = ( 0.0000000 0.2155172 0.3660618), wk = 0.0018727 k( 272) = ( 0.0000000 0.2241379 0.3660618), wk = 0.0018727 k( 273) = ( 0.0000000 0.2327586 0.3660618), wk = 0.0018727 k( 274) = ( 0.0000000 0.2413793 0.3660618), wk = 0.0018727 k( 275) = ( 0.0000000 0.2500000 0.3660618), wk = 0.0018727 k( 276) = ( 0.0000000 0.2586207 0.3660618), wk = 0.0018727 k( 277) = ( 0.0000000 0.2672414 0.3660618), wk = 0.0018727 k( 278) = ( 0.0000000 0.2758621 0.3660618), wk = 0.0018727 k( 279) = ( 0.0000000 0.2844828 0.3660618), wk = 0.0018727 k( 280) = ( 0.0000000 0.2931034 0.3660618), wk = 0.0018727 k( 281) = ( 0.0000000 0.3017241 0.3660618), wk = 0.0018727 k( 282) = ( 0.0000000 0.3103448 0.3660618), wk = 0.0018727 k( 283) = ( 0.0000000 0.3189655 0.3660618), wk = 0.0018727 k( 284) = ( 0.0000000 0.3275862 0.3660618), wk = 0.0018727 k( 285) = ( 0.0000000 0.3362069 0.3660618), wk = 0.0018727 k( 286) = ( 0.0000000 0.3448276 0.3660618), wk = 0.0018727 k( 287) = ( 0.0000000 0.3534483 0.3660618), wk = 0.0018727 k( 288) = ( 0.0000000 0.3620690 0.3660618), wk = 0.0018727 k( 289) = ( 0.0000000 0.3706897 0.3660618), wk = 0.0018727 k( 290) = ( 0.0000000 0.3793103 0.3660618), wk = 0.0018727 k( 291) = ( 0.0000000 0.3879310 0.3660618), wk = 0.0018727 k( 292) = ( 0.0000000 0.3965517 0.3660618), wk = 0.0018727 k( 293) = ( 0.0000000 0.4051724 0.3660618), wk = 0.0018727 k( 294) = ( 0.0000000 0.4137931 0.3660618), wk = 0.0018727 k( 295) = ( 0.0000000 0.4224138 0.3660618), wk = 0.0018727 k( 296) = ( 0.0000000 0.4310345 0.3660618), wk = 0.0018727 k( 297) = ( 0.0000000 0.4396552 0.3660618), wk = 0.0018727 k( 298) = ( 0.0000000 0.4482759 0.3660618), wk = 0.0018727 k( 299) = ( 0.0000000 0.4568966 0.3660618), wk = 0.0018727 k( 300) = ( 0.0000000 0.4655172 0.3660618), wk = 0.0018727 k( 301) = ( 0.0000000 0.4741379 0.3660618), wk = 0.0018727 k( 302) = ( 0.0000000 0.4827586 0.3660618), wk = 0.0018727 k( 303) = ( 0.0000000 0.4913793 0.3660618), wk = 0.0018727 k( 304) = ( 0.0000000 0.5000000 0.3660618), wk = 0.0018727 k( 305) = ( 0.0000000 0.5000000 0.3660618), wk = 0.0018727 k( 306) = ( 0.0086207 0.5000000 0.3660618), wk = 0.0018727 k( 307) = ( 0.0172414 0.5000000 0.3660618), wk = 0.0018727 k( 308) = ( 0.0258621 0.5000000 0.3660618), wk = 0.0018727 k( 309) = ( 0.0344828 0.5000000 0.3660618), wk = 0.0018727 k( 310) = ( 0.0431035 0.5000000 0.3660618), wk = 0.0018727 k( 311) = ( 0.0517241 0.5000000 0.3660618), wk = 0.0018727 k( 312) = ( 0.0603448 0.5000000 0.3660618), wk = 0.0018727 k( 313) = ( 0.0689655 0.5000000 0.3660618), wk = 0.0018727 k( 314) = ( 0.0775862 0.5000000 0.3660618), wk = 0.0018727 k( 315) = ( 0.0862069 0.5000000 0.3660618), wk = 0.0018727 k( 316) = ( 0.0948276 0.5000000 0.3660618), wk = 0.0018727 k( 317) = ( 0.1034483 0.5000000 0.3660618), wk = 0.0018727 k( 318) = ( 0.1120690 0.5000000 0.3660618), wk = 0.0018727 k( 319) = ( 0.1206897 0.5000000 0.3660618), wk = 0.0018727 k( 320) = ( 0.1293103 0.5000000 0.3660618), wk = 0.0018727 k( 321) = ( 0.1379310 0.5000000 0.3660618), wk = 0.0018727 k( 322) = ( 0.1465517 0.5000000 0.3660618), wk = 0.0018727 k( 323) = ( 0.1551724 0.5000000 0.3660618), wk = 0.0018727 k( 324) = ( 0.1637931 0.5000000 0.3660618), wk = 0.0018727 k( 325) = ( 0.1724138 0.5000000 0.3660618), wk = 0.0018727 k( 326) = ( 0.1810345 0.5000000 0.3660618), wk = 0.0018727 k( 327) = ( 0.1896552 0.5000000 0.3660618), wk = 0.0018727 k( 328) = ( 0.1982759 0.5000000 0.3660618), wk = 0.0018727 k( 329) = ( 0.2068966 0.5000000 0.3660618), wk = 0.0018727 k( 330) = ( 0.2155172 0.5000000 0.3660618), wk = 0.0018727 k( 331) = ( 0.2241379 0.5000000 0.3660618), wk = 0.0018727 k( 332) = ( 0.2327586 0.5000000 0.3660618), wk = 0.0018727 k( 333) = ( 0.2413793 0.5000000 0.3660618), wk = 0.0018727 k( 334) = ( 0.2500000 0.5000000 0.3660618), wk = 0.0018727 k( 335) = ( 0.2586207 0.5000000 0.3660618), wk = 0.0018727 k( 336) = ( 0.2672414 0.5000000 0.3660618), wk = 0.0018727 k( 337) = ( 0.2758621 0.5000000 0.3660618), wk = 0.0018727 k( 338) = ( 0.2844828 0.5000000 0.3660618), wk = 0.0018727 k( 339) = ( 0.2931034 0.5000000 0.3660618), wk = 0.0018727 k( 340) = ( 0.3017241 0.5000000 0.3660618), wk = 0.0018727 k( 341) = ( 0.3103448 0.5000000 0.3660618), wk = 0.0018727 k( 342) = ( 0.3189655 0.5000000 0.3660618), wk = 0.0018727 k( 343) = ( 0.3275862 0.5000000 0.3660618), wk = 0.0018727 k( 344) = ( 0.3362069 0.5000000 0.3660618), wk = 0.0018727 k( 345) = ( 0.3448276 0.5000000 0.3660618), wk = 0.0018727 k( 346) = ( 0.3534483 0.5000000 0.3660618), wk = 0.0018727 k( 347) = ( 0.3620690 0.5000000 0.3660618), wk = 0.0018727 k( 348) = ( 0.3706897 0.5000000 0.3660618), wk = 0.0018727 k( 349) = ( 0.3793103 0.5000000 0.3660618), wk = 0.0018727 k( 350) = ( 0.3879310 0.5000000 0.3660618), wk = 0.0018727 k( 351) = ( 0.3965517 0.5000000 0.3660618), wk = 0.0018727 k( 352) = ( 0.4051724 0.5000000 0.3660618), wk = 0.0018727 k( 353) = ( 0.4137931 0.5000000 0.3660618), wk = 0.0018727 k( 354) = ( 0.4224138 0.5000000 0.3660618), wk = 0.0018727 k( 355) = ( 0.4310345 0.5000000 0.3660618), wk = 0.0018727 k( 356) = ( 0.4396552 0.5000000 0.3660618), wk = 0.0018727 k( 357) = ( 0.4482759 0.5000000 0.3660618), wk = 0.0018727 k( 358) = ( 0.4568966 0.5000000 0.3660618), wk = 0.0018727 k( 359) = ( 0.4655172 0.5000000 0.3660618), wk = 0.0018727 k( 360) = ( 0.4741379 0.5000000 0.3660618), wk = 0.0018727 k( 361) = ( 0.4827586 0.5000000 0.3660618), wk = 0.0018727 k( 362) = ( 0.4913793 0.5000000 0.3660618), wk = 0.0018727 k( 363) = ( 0.5000000 0.5000000 0.3660618), wk = 0.0018727 k( 364) = ( 0.5000000 0.5000000 0.3660618), wk = 0.0018727 k( 365) = ( 0.4939024 0.4939024 0.3660618), wk = 0.0018727 k( 366) = ( 0.4878049 0.4878049 0.3660618), wk = 0.0018727 k( 367) = ( 0.4817073 0.4817073 0.3660618), wk = 0.0018727 k( 368) = ( 0.4756098 0.4756098 0.3660618), wk = 0.0018727 k( 369) = ( 0.4695122 0.4695122 0.3660618), wk = 0.0018727 k( 370) = ( 0.4634146 0.4634146 0.3660618), wk = 0.0018727 k( 371) = ( 0.4573171 0.4573171 0.3660618), wk = 0.0018727 k( 372) = ( 0.4512195 0.4512195 0.3660618), wk = 0.0018727 k( 373) = ( 0.4451219 0.4451219 0.3660618), wk = 0.0018727 k( 374) = ( 0.4390244 0.4390244 0.3660618), wk = 0.0018727 k( 375) = ( 0.4329268 0.4329268 0.3660618), wk = 0.0018727 k( 376) = ( 0.4268293 0.4268293 0.3660618), wk = 0.0018727 k( 377) = ( 0.4207317 0.4207317 0.3660618), wk = 0.0018727 k( 378) = ( 0.4146341 0.4146341 0.3660618), wk = 0.0018727 k( 379) = ( 0.4085366 0.4085366 0.3660618), wk = 0.0018727 k( 380) = ( 0.4024390 0.4024390 0.3660618), wk = 0.0018727 k( 381) = ( 0.3963415 0.3963415 0.3660618), wk = 0.0018727 k( 382) = ( 0.3902439 0.3902439 0.3660618), wk = 0.0018727 k( 383) = ( 0.3841463 0.3841463 0.3660618), wk = 0.0018727 k( 384) = ( 0.3780488 0.3780488 0.3660618), wk = 0.0018727 k( 385) = ( 0.3719512 0.3719512 0.3660618), wk = 0.0018727 k( 386) = ( 0.3658537 0.3658537 0.3660618), wk = 0.0018727 k( 387) = ( 0.3597561 0.3597561 0.3660618), wk = 0.0018727 k( 388) = ( 0.3536585 0.3536585 0.3660618), wk = 0.0018727 k( 389) = ( 0.3475610 0.3475610 0.3660618), wk = 0.0018727 k( 390) = ( 0.3414634 0.3414634 0.3660618), wk = 0.0018727 k( 391) = ( 0.3353659 0.3353658 0.3660618), wk = 0.0018727 k( 392) = ( 0.3292683 0.3292683 0.3660618), wk = 0.0018727 k( 393) = ( 0.3231707 0.3231707 0.3660618), wk = 0.0018727 k( 394) = ( 0.3170732 0.3170732 0.3660618), wk = 0.0018727 k( 395) = ( 0.3109756 0.3109756 0.3660618), wk = 0.0018727 k( 396) = ( 0.3048781 0.3048780 0.3660618), wk = 0.0018727 k( 397) = ( 0.2987805 0.2987805 0.3660618), wk = 0.0018727 k( 398) = ( 0.2926829 0.2926829 0.3660618), wk = 0.0018727 k( 399) = ( 0.2865854 0.2865854 0.3660618), wk = 0.0018727 k( 400) = ( 0.2804878 0.2804878 0.3660618), wk = 0.0018727 k( 401) = ( 0.2743902 0.2743902 0.3660618), wk = 0.0018727 k( 402) = ( 0.2682927 0.2682927 0.3660618), wk = 0.0018727 k( 403) = ( 0.2621951 0.2621951 0.3660618), wk = 0.0018727 k( 404) = ( 0.2560976 0.2560976 0.3660618), wk = 0.0018727 k( 405) = ( 0.2500000 0.2500000 0.3660618), wk = 0.0018727 k( 406) = ( 0.2439024 0.2439024 0.3660618), wk = 0.0018727 k( 407) = ( 0.2378049 0.2378049 0.3660618), wk = 0.0018727 k( 408) = ( 0.2317073 0.2317073 0.3660618), wk = 0.0018727 k( 409) = ( 0.2256098 0.2256098 0.3660618), wk = 0.0018727 k( 410) = ( 0.2195122 0.2195122 0.3660618), wk = 0.0018727 k( 411) = ( 0.2134146 0.2134146 0.3660618), wk = 0.0018727 k( 412) = ( 0.2073171 0.2073171 0.3660618), wk = 0.0018727 k( 413) = ( 0.2012195 0.2012195 0.3660618), wk = 0.0018727 k( 414) = ( 0.1951219 0.1951219 0.3660618), wk = 0.0018727 k( 415) = ( 0.1890244 0.1890244 0.3660618), wk = 0.0018727 k( 416) = ( 0.1829268 0.1829268 0.3660618), wk = 0.0018727 k( 417) = ( 0.1768293 0.1768293 0.3660618), wk = 0.0018727 k( 418) = ( 0.1707317 0.1707317 0.3660618), wk = 0.0018727 k( 419) = ( 0.1646342 0.1646341 0.3660618), wk = 0.0018727 k( 420) = ( 0.1585366 0.1585366 0.3660618), wk = 0.0018727 k( 421) = ( 0.1524390 0.1524390 0.3660618), wk = 0.0018727 k( 422) = ( 0.1463415 0.1463415 0.3660618), wk = 0.0018727 k( 423) = ( 0.1402439 0.1402439 0.3660618), wk = 0.0018727 k( 424) = ( 0.1341463 0.1341463 0.3660618), wk = 0.0018727 k( 425) = ( 0.1280488 0.1280488 0.3660618), wk = 0.0018727 k( 426) = ( 0.1219512 0.1219512 0.3660618), wk = 0.0018727 k( 427) = ( 0.1158537 0.1158537 0.3660618), wk = 0.0018727 k( 428) = ( 0.1097561 0.1097561 0.3660618), wk = 0.0018727 k( 429) = ( 0.1036585 0.1036585 0.3660618), wk = 0.0018727 k( 430) = ( 0.0975610 0.0975610 0.3660618), wk = 0.0018727 k( 431) = ( 0.0914634 0.0914634 0.3660618), wk = 0.0018727 k( 432) = ( 0.0853658 0.0853658 0.3660618), wk = 0.0018727 k( 433) = ( 0.0792683 0.0792683 0.3660618), wk = 0.0018727 k( 434) = ( 0.0731707 0.0731707 0.3660618), wk = 0.0018727 k( 435) = ( 0.0670732 0.0670732 0.3660618), wk = 0.0018727 k( 436) = ( 0.0609756 0.0609756 0.3660618), wk = 0.0018727 k( 437) = ( 0.0548780 0.0548780 0.3660618), wk = 0.0018727 k( 438) = ( 0.0487805 0.0487805 0.3660618), wk = 0.0018727 k( 439) = ( 0.0426829 0.0426829 0.3660618), wk = 0.0018727 k( 440) = ( 0.0365854 0.0365854 0.3660618), wk = 0.0018727 k( 441) = ( 0.0304878 0.0304878 0.3660618), wk = 0.0018727 k( 442) = ( 0.0243902 0.0243902 0.3660618), wk = 0.0018727 k( 443) = ( 0.0182927 0.0182927 0.3660618), wk = 0.0018727 k( 444) = ( 0.0121951 0.0121951 0.3660618), wk = 0.0018727 k( 445) = ( 0.0060976 0.0060976 0.3660618), wk = 0.0018727 k( 446) = ( 0.0000000 0.0000000 0.3660618), wk = 0.0018727 k( 447) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0018727 k( 448) = ( 0.0000000 0.5000000 0.0085131), wk = 0.0018727 k( 449) = ( 0.0000000 0.5000000 0.0170261), wk = 0.0018727 k( 450) = ( 0.0000000 0.5000000 0.0255392), wk = 0.0018727 k( 451) = ( 0.0000000 0.5000000 0.0340523), wk = 0.0018727 k( 452) = ( 0.0000000 0.5000000 0.0425653), wk = 0.0018727 k( 453) = ( 0.0000000 0.5000000 0.0510784), wk = 0.0018727 k( 454) = ( 0.0000000 0.5000000 0.0595915), wk = 0.0018727 k( 455) = ( 0.0000000 0.5000000 0.0681045), wk = 0.0018727 k( 456) = ( 0.0000000 0.5000000 0.0766176), wk = 0.0018727 k( 457) = ( 0.0000000 0.5000000 0.0851307), wk = 0.0018727 k( 458) = ( 0.0000000 0.5000000 0.0936437), wk = 0.0018727 k( 459) = ( 0.0000000 0.5000000 0.1021568), wk = 0.0018727 k( 460) = ( 0.0000000 0.5000000 0.1106699), wk = 0.0018727 k( 461) = ( 0.0000000 0.5000000 0.1191829), wk = 0.0018727 k( 462) = ( 0.0000000 0.5000000 0.1276960), wk = 0.0018727 k( 463) = ( 0.0000000 0.5000000 0.1362091), wk = 0.0018727 k( 464) = ( 0.0000000 0.5000000 0.1447221), wk = 0.0018727 k( 465) = ( 0.0000000 0.5000000 0.1532352), wk = 0.0018727 k( 466) = ( 0.0000000 0.5000000 0.1617482), wk = 0.0018727 k( 467) = ( 0.0000000 0.5000000 0.1702613), wk = 0.0018727 k( 468) = ( 0.0000000 0.5000000 0.1787744), wk = 0.0018727 k( 469) = ( 0.0000000 0.5000000 0.1872874), wk = 0.0018727 k( 470) = ( 0.0000000 0.5000000 0.1958005), wk = 0.0018727 k( 471) = ( 0.0000000 0.5000000 0.2043136), wk = 0.0018727 k( 472) = ( 0.0000000 0.5000000 0.2128266), wk = 0.0018727 k( 473) = ( 0.0000000 0.5000000 0.2213397), wk = 0.0018727 k( 474) = ( 0.0000000 0.5000000 0.2298528), wk = 0.0018727 k( 475) = ( 0.0000000 0.5000000 0.2383658), wk = 0.0018727 k( 476) = ( 0.0000000 0.5000000 0.2468789), wk = 0.0018727 k( 477) = ( 0.0000000 0.5000000 0.2553920), wk = 0.0018727 k( 478) = ( 0.0000000 0.5000000 0.2639050), wk = 0.0018727 k( 479) = ( 0.0000000 0.5000000 0.2724181), wk = 0.0018727 k( 480) = ( 0.0000000 0.5000000 0.2809312), wk = 0.0018727 k( 481) = ( 0.0000000 0.5000000 0.2894442), wk = 0.0018727 k( 482) = ( 0.0000000 0.5000000 0.2979573), wk = 0.0018727 k( 483) = ( 0.0000000 0.5000000 0.3064704), wk = 0.0018727 k( 484) = ( 0.0000000 0.5000000 0.3149834), wk = 0.0018727 k( 485) = ( 0.0000000 0.5000000 0.3234965), wk = 0.0018727 k( 486) = ( 0.0000000 0.5000000 0.3320096), wk = 0.0018727 k( 487) = ( 0.0000000 0.5000000 0.3405226), wk = 0.0018727 k( 488) = ( 0.0000000 0.5000000 0.3490357), wk = 0.0018727 k( 489) = ( 0.0000000 0.5000000 0.3575488), wk = 0.0018727 k( 490) = ( 0.0000000 0.5000000 0.3660618), wk = 0.0018727 k( 491) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0018727 k( 492) = ( 0.5000000 0.5000000 0.0085131), wk = 0.0018727 k( 493) = ( 0.5000000 0.5000000 0.0170261), wk = 0.0018727 k( 494) = ( 0.5000000 0.5000000 0.0255392), wk = 0.0018727 k( 495) = ( 0.5000000 0.5000000 0.0340523), wk = 0.0018727 k( 496) = ( 0.5000000 0.5000000 0.0425653), wk = 0.0018727 k( 497) = ( 0.5000000 0.5000000 0.0510784), wk = 0.0018727 k( 498) = ( 0.5000000 0.5000000 0.0595915), wk = 0.0018727 k( 499) = ( 0.5000000 0.5000000 0.0681045), wk = 0.0018727 k( 500) = ( 0.5000000 0.5000000 0.0766176), wk = 0.0018727 k( 501) = ( 0.5000000 0.5000000 0.0851307), wk = 0.0018727 k( 502) = ( 0.5000000 0.5000000 0.0936437), wk = 0.0018727 k( 503) = ( 0.5000000 0.5000000 0.1021568), wk = 0.0018727 k( 504) = ( 0.5000000 0.5000000 0.1106699), wk = 0.0018727 k( 505) = ( 0.5000000 0.5000000 0.1191829), wk = 0.0018727 k( 506) = ( 0.5000000 0.5000000 0.1276960), wk = 0.0018727 k( 507) = ( 0.5000000 0.5000000 0.1362091), wk = 0.0018727 k( 508) = ( 0.5000000 0.5000000 0.1447221), wk = 0.0018727 k( 509) = ( 0.5000000 0.5000000 0.1532352), wk = 0.0018727 k( 510) = ( 0.5000000 0.5000000 0.1617482), wk = 0.0018727 k( 511) = ( 0.5000000 0.5000000 0.1702613), wk = 0.0018727 k( 512) = ( 0.5000000 0.5000000 0.1787744), wk = 0.0018727 k( 513) = ( 0.5000000 0.5000000 0.1872874), wk = 0.0018727 k( 514) = ( 0.5000000 0.5000000 0.1958005), wk = 0.0018727 k( 515) = ( 0.5000000 0.5000000 0.2043136), wk = 0.0018727 k( 516) = ( 0.5000000 0.5000000 0.2128266), wk = 0.0018727 k( 517) = ( 0.5000000 0.5000000 0.2213397), wk = 0.0018727 k( 518) = ( 0.5000000 0.5000000 0.2298528), wk = 0.0018727 k( 519) = ( 0.5000000 0.5000000 0.2383658), wk = 0.0018727 k( 520) = ( 0.5000000 0.5000000 0.2468789), wk = 0.0018727 k( 521) = ( 0.5000000 0.5000000 0.2553920), wk = 0.0018727 k( 522) = ( 0.5000000 0.5000000 0.2639050), wk = 0.0018727 k( 523) = ( 0.5000000 0.5000000 0.2724181), wk = 0.0018727 k( 524) = ( 0.5000000 0.5000000 0.2809312), wk = 0.0018727 k( 525) = ( 0.5000000 0.5000000 0.2894442), wk = 0.0018727 k( 526) = ( 0.5000000 0.5000000 0.2979573), wk = 0.0018727 k( 527) = ( 0.5000000 0.5000000 0.3064704), wk = 0.0018727 k( 528) = ( 0.5000000 0.5000000 0.3149834), wk = 0.0018727 k( 529) = ( 0.5000000 0.5000000 0.3234965), wk = 0.0018727 k( 530) = ( 0.5000000 0.5000000 0.3320096), wk = 0.0018727 k( 531) = ( 0.5000000 0.5000000 0.3405226), wk = 0.0018727 k( 532) = ( 0.5000000 0.5000000 0.3490357), wk = 0.0018727 k( 533) = ( 0.5000000 0.5000000 0.3575488), wk = 0.0018727 k( 534) = ( 0.5000000 0.5000000 0.3660618), wk = 0.0018727 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018727 k( 2) = ( 0.0000000 0.0086207 0.0000000), wk = 0.0018727 k( 3) = ( 0.0000000 0.0172414 0.0000000), wk = 0.0018727 k( 4) = ( 0.0000000 0.0258621 -0.0000000), wk = 0.0018727 k( 5) = ( 0.0000000 0.0344828 0.0000000), wk = 0.0018727 k( 6) = ( 0.0000000 0.0431035 0.0000000), wk = 0.0018727 k( 7) = ( 0.0000000 0.0517241 -0.0000000), wk = 0.0018727 k( 8) = ( 0.0000000 0.0603448 -0.0000000), wk = 0.0018727 k( 9) = ( 0.0000000 0.0689655 0.0000000), wk = 0.0018727 k( 10) = ( 0.0000000 0.0775862 0.0000000), wk = 0.0018727 k( 11) = ( 0.0000000 0.0862069 0.0000000), wk = 0.0018727 k( 12) = ( 0.0000000 0.0948276 0.0000000), wk = 0.0018727 k( 13) = ( 0.0000000 0.1034483 -0.0000000), wk = 0.0018727 k( 14) = ( 0.0000000 0.1120690 0.0000000), wk = 0.0018727 k( 15) = ( 0.0000000 0.1206897 -0.0000000), wk = 0.0018727 k( 16) = ( 0.0000000 0.1293103 0.0000000), wk = 0.0018727 k( 17) = ( 0.0000000 0.1379310 -0.0000000), wk = 0.0018727 k( 18) = ( 0.0000000 0.1465517 -0.0000000), wk = 0.0018727 k( 19) = ( 0.0000000 0.1551724 0.0000000), wk = 0.0018727 k( 20) = ( 0.0000000 0.1637931 0.0000000), wk = 0.0018727 k( 21) = ( 0.0000000 0.1724138 -0.0000000), wk = 0.0018727 k( 22) = ( 0.0000000 0.1810345 0.0000000), wk = 0.0018727 k( 23) = ( 0.0000000 0.1896552 -0.0000000), wk = 0.0018727 k( 24) = ( 0.0000000 0.1982759 0.0000000), wk = 0.0018727 k( 25) = ( 0.0000000 0.2068966 0.0000000), wk = 0.0018727 k( 26) = ( 0.0000000 0.2155172 -0.0000000), wk = 0.0018727 k( 27) = ( 0.0000000 0.2241379 -0.0000000), wk = 0.0018727 k( 28) = ( 0.0000000 0.2327586 0.0000000), wk = 0.0018727 k( 29) = ( 0.0000000 0.2413793 0.0000000), wk = 0.0018727 k( 30) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0018727 k( 31) = ( 0.0000000 0.2586207 -0.0000000), wk = 0.0018727 k( 32) = ( 0.0000000 0.2672414 -0.0000000), wk = 0.0018727 k( 33) = ( 0.0000000 0.2758621 0.0000000), wk = 0.0018727 k( 34) = ( 0.0000000 0.2844828 -0.0000000), wk = 0.0018727 k( 35) = ( 0.0000000 0.2931034 0.0000000), wk = 0.0018727 k( 36) = ( 0.0000000 0.3017241 0.0000000), wk = 0.0018727 k( 37) = ( 0.0000000 0.3103448 0.0000000), wk = 0.0018727 k( 38) = ( 0.0000000 0.3189655 0.0000000), wk = 0.0018727 k( 39) = ( 0.0000000 0.3275862 0.0000000), wk = 0.0018727 k( 40) = ( 0.0000000 0.3362069 -0.0000000), wk = 0.0018727 k( 41) = ( 0.0000000 0.3448276 -0.0000000), wk = 0.0018727 k( 42) = ( 0.0000000 0.3534483 0.0000000), wk = 0.0018727 k( 43) = ( 0.0000000 0.3620690 -0.0000000), wk = 0.0018727 k( 44) = ( 0.0000000 0.3706897 0.0000000), wk = 0.0018727 k( 45) = ( 0.0000000 0.3793103 -0.0000000), wk = 0.0018727 k( 46) = ( 0.0000000 0.3879310 0.0000000), wk = 0.0018727 k( 47) = ( 0.0000000 0.3965517 0.0000000), wk = 0.0018727 k( 48) = ( 0.0000000 0.4051724 0.0000000), wk = 0.0018727 k( 49) = ( 0.0000000 0.4137931 0.0000000), wk = 0.0018727 k( 50) = ( 0.0000000 0.4224138 0.0000000), wk = 0.0018727 k( 51) = ( 0.0000000 0.4310345 -0.0000000), wk = 0.0018727 k( 52) = ( 0.0000000 0.4396552 -0.0000000), wk = 0.0018727 k( 53) = ( 0.0000000 0.4482759 -0.0000000), wk = 0.0018727 k( 54) = ( 0.0000000 0.4568966 -0.0000000), wk = 0.0018727 k( 55) = ( 0.0000000 0.4655172 0.0000000), wk = 0.0018727 k( 56) = ( 0.0000000 0.4741379 0.0000000), wk = 0.0018727 k( 57) = ( 0.0000000 0.4827586 0.0000000), wk = 0.0018727 k( 58) = ( 0.0000000 0.4913793 0.0000000), wk = 0.0018727 k( 59) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0018727 k( 60) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0018727 k( 61) = ( 0.0086207 0.5000000 -0.0000000), wk = 0.0018727 k( 62) = ( 0.0172414 0.5000000 -0.0000000), wk = 0.0018727 k( 63) = ( 0.0258621 0.5000000 0.0000000), wk = 0.0018727 k( 64) = ( 0.0344828 0.5000000 0.0000000), wk = 0.0018727 k( 65) = ( 0.0431035 0.5000000 -0.0000000), wk = 0.0018727 k( 66) = ( 0.0517241 0.5000000 -0.0000000), wk = 0.0018727 k( 67) = ( 0.0603448 0.5000000 0.0000000), wk = 0.0018727 k( 68) = ( 0.0689655 0.5000000 0.0000000), wk = 0.0018727 k( 69) = ( 0.0775862 0.5000000 0.0000000), wk = 0.0018727 k( 70) = ( 0.0862069 0.5000000 -0.0000000), wk = 0.0018727 k( 71) = ( 0.0948276 0.5000000 0.0000000), wk = 0.0018727 k( 72) = ( 0.1034483 0.5000000 0.0000000), wk = 0.0018727 k( 73) = ( 0.1120690 0.5000000 0.0000000), wk = 0.0018727 k( 74) = ( 0.1206897 0.5000000 -0.0000000), wk = 0.0018727 k( 75) = ( 0.1293103 0.5000000 0.0000000), wk = 0.0018727 k( 76) = ( 0.1379310 0.5000000 -0.0000000), wk = 0.0018727 k( 77) = ( 0.1465517 0.5000000 0.0000000), wk = 0.0018727 k( 78) = ( 0.1551724 0.5000000 0.0000000), wk = 0.0018727 k( 79) = ( 0.1637931 0.5000000 0.0000000), wk = 0.0018727 k( 80) = ( 0.1724138 0.5000000 0.0000000), wk = 0.0018727 k( 81) = ( 0.1810345 0.5000000 0.0000000), wk = 0.0018727 k( 82) = ( 0.1896552 0.5000000 0.0000000), wk = 0.0018727 k( 83) = ( 0.1982759 0.5000000 0.0000000), wk = 0.0018727 k( 84) = ( 0.2068966 0.5000000 0.0000000), wk = 0.0018727 k( 85) = ( 0.2155172 0.5000000 -0.0000000), wk = 0.0018727 k( 86) = ( 0.2241379 0.5000000 0.0000000), wk = 0.0018727 k( 87) = ( 0.2327586 0.5000000 0.0000000), wk = 0.0018727 k( 88) = ( 0.2413793 0.5000000 0.0000000), wk = 0.0018727 k( 89) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0018727 k( 90) = ( 0.2586207 0.5000000 0.0000000), wk = 0.0018727 k( 91) = ( 0.2672414 0.5000000 -0.0000000), wk = 0.0018727 k( 92) = ( 0.2758621 0.5000000 0.0000000), wk = 0.0018727 k( 93) = ( 0.2844828 0.5000000 -0.0000000), wk = 0.0018727 k( 94) = ( 0.2931034 0.5000000 0.0000000), wk = 0.0018727 k( 95) = ( 0.3017241 0.5000000 -0.0000000), wk = 0.0018727 k( 96) = ( 0.3103448 0.5000000 -0.0000000), wk = 0.0018727 k( 97) = ( 0.3189655 0.5000000 0.0000000), wk = 0.0018727 k( 98) = ( 0.3275862 0.5000000 -0.0000000), wk = 0.0018727 k( 99) = ( 0.3362069 0.5000000 -0.0000000), wk = 0.0018727 k( 100) = ( 0.3448276 0.5000000 -0.0000000), wk = 0.0018727 k( 101) = ( 0.3534483 0.5000000 -0.0000000), wk = 0.0018727 k( 102) = ( 0.3620690 0.5000000 -0.0000000), wk = 0.0018727 k( 103) = ( 0.3706897 0.5000000 -0.0000000), wk = 0.0018727 k( 104) = ( 0.3793103 0.5000000 -0.0000000), wk = 0.0018727 k( 105) = ( 0.3879310 0.5000000 0.0000000), wk = 0.0018727 k( 106) = ( 0.3965517 0.5000000 -0.0000000), wk = 0.0018727 k( 107) = ( 0.4051724 0.5000000 -0.0000000), wk = 0.0018727 k( 108) = ( 0.4137931 0.5000000 -0.0000000), wk = 0.0018727 k( 109) = ( 0.4224138 0.5000000 0.0000000), wk = 0.0018727 k( 110) = ( 0.4310345 0.5000000 0.0000000), wk = 0.0018727 k( 111) = ( 0.4396552 0.5000000 0.0000000), wk = 0.0018727 k( 112) = ( 0.4482759 0.5000000 0.0000000), wk = 0.0018727 k( 113) = ( 0.4568966 0.5000000 -0.0000000), wk = 0.0018727 k( 114) = ( 0.4655172 0.5000000 0.0000000), wk = 0.0018727 k( 115) = ( 0.4741379 0.5000000 -0.0000000), wk = 0.0018727 k( 116) = ( 0.4827586 0.5000000 -0.0000000), wk = 0.0018727 k( 117) = ( 0.4913793 0.5000000 -0.0000000), wk = 0.0018727 k( 118) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0018727 k( 119) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0018727 k( 120) = ( 0.4939024 0.4939024 -0.0000000), wk = 0.0018727 k( 121) = ( 0.4878049 0.4878049 -0.0000000), wk = 0.0018727 k( 122) = ( 0.4817073 0.4817073 0.0000000), wk = 0.0018727 k( 123) = ( 0.4756098 0.4756098 0.0000000), wk = 0.0018727 k( 124) = ( 0.4695122 0.4695122 -0.0000000), wk = 0.0018727 k( 125) = ( 0.4634146 0.4634146 -0.0000000), wk = 0.0018727 k( 126) = ( 0.4573171 0.4573171 -0.0000000), wk = 0.0018727 k( 127) = ( 0.4512195 0.4512195 -0.0000000), wk = 0.0018727 k( 128) = ( 0.4451219 0.4451219 0.0000000), wk = 0.0018727 k( 129) = ( 0.4390244 0.4390244 -0.0000000), wk = 0.0018727 k( 130) = ( 0.4329268 0.4329268 -0.0000000), wk = 0.0018727 k( 131) = ( 0.4268293 0.4268293 -0.0000000), wk = 0.0018727 k( 132) = ( 0.4207317 0.4207317 0.0000000), wk = 0.0018727 k( 133) = ( 0.4146341 0.4146341 -0.0000000), wk = 0.0018727 k( 134) = ( 0.4085366 0.4085366 -0.0000000), wk = 0.0018727 k( 135) = ( 0.4024390 0.4024390 -0.0000000), wk = 0.0018727 k( 136) = ( 0.3963415 0.3963415 0.0000000), wk = 0.0018727 k( 137) = ( 0.3902439 0.3902439 -0.0000000), wk = 0.0018727 k( 138) = ( 0.3841463 0.3841463 0.0000000), wk = 0.0018727 k( 139) = ( 0.3780488 0.3780488 0.0000000), wk = 0.0018727 k( 140) = ( 0.3719512 0.3719512 0.0000000), wk = 0.0018727 k( 141) = ( 0.3658537 0.3658537 0.0000000), wk = 0.0018727 k( 142) = ( 0.3597561 0.3597561 -0.0000000), wk = 0.0018727 k( 143) = ( 0.3536585 0.3536585 -0.0000000), wk = 0.0018727 k( 144) = ( 0.3475610 0.3475610 -0.0000000), wk = 0.0018727 k( 145) = ( 0.3414634 0.3414634 0.0000000), wk = 0.0018727 k( 146) = ( 0.3353659 0.3353659 0.0000000), wk = 0.0018727 k( 147) = ( 0.3292683 0.3292683 -0.0000000), wk = 0.0018727 k( 148) = ( 0.3231707 0.3231707 -0.0000000), wk = 0.0018727 k( 149) = ( 0.3170732 0.3170732 -0.0000000), wk = 0.0018727 k( 150) = ( 0.3109756 0.3109756 0.0000000), wk = 0.0018727 k( 151) = ( 0.3048781 0.3048781 -0.0000000), wk = 0.0018727 k( 152) = ( 0.2987805 0.2987805 0.0000000), wk = 0.0018727 k( 153) = ( 0.2926829 0.2926829 -0.0000000), wk = 0.0018727 k( 154) = ( 0.2865854 0.2865854 -0.0000000), wk = 0.0018727 k( 155) = ( 0.2804878 0.2804878 -0.0000000), wk = 0.0018727 k( 156) = ( 0.2743902 0.2743902 0.0000000), wk = 0.0018727 k( 157) = ( 0.2682927 0.2682927 -0.0000000), wk = 0.0018727 k( 158) = ( 0.2621951 0.2621951 0.0000000), wk = 0.0018727 k( 159) = ( 0.2560976 0.2560976 0.0000000), wk = 0.0018727 k( 160) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0018727 k( 161) = ( 0.2439024 0.2439024 -0.0000000), wk = 0.0018727 k( 162) = ( 0.2378049 0.2378049 0.0000000), wk = 0.0018727 k( 163) = ( 0.2317073 0.2317073 0.0000000), wk = 0.0018727 k( 164) = ( 0.2256098 0.2256098 0.0000000), wk = 0.0018727 k( 165) = ( 0.2195122 0.2195122 -0.0000000), wk = 0.0018727 k( 166) = ( 0.2134146 0.2134146 -0.0000000), wk = 0.0018727 k( 167) = ( 0.2073171 0.2073171 0.0000000), wk = 0.0018727 k( 168) = ( 0.2012195 0.2012195 -0.0000000), wk = 0.0018727 k( 169) = ( 0.1951219 0.1951219 -0.0000000), wk = 0.0018727 k( 170) = ( 0.1890244 0.1890244 0.0000000), wk = 0.0018727 k( 171) = ( 0.1829268 0.1829268 0.0000000), wk = 0.0018727 k( 172) = ( 0.1768293 0.1768293 -0.0000000), wk = 0.0018727 k( 173) = ( 0.1707317 0.1707317 -0.0000000), wk = 0.0018727 k( 174) = ( 0.1646342 0.1646342 -0.0000000), wk = 0.0018727 k( 175) = ( 0.1585366 0.1585366 -0.0000000), wk = 0.0018727 k( 176) = ( 0.1524390 0.1524390 -0.0000000), wk = 0.0018727 k( 177) = ( 0.1463415 0.1463415 -0.0000000), wk = 0.0018727 k( 178) = ( 0.1402439 0.1402439 -0.0000000), wk = 0.0018727 k( 179) = ( 0.1341463 0.1341463 -0.0000000), wk = 0.0018727 k( 180) = ( 0.1280488 0.1280488 0.0000000), wk = 0.0018727 k( 181) = ( 0.1219512 0.1219512 -0.0000000), wk = 0.0018727 k( 182) = ( 0.1158537 0.1158537 0.0000000), wk = 0.0018727 k( 183) = ( 0.1097561 0.1097561 -0.0000000), wk = 0.0018727 k( 184) = ( 0.1036585 0.1036585 -0.0000000), wk = 0.0018727 k( 185) = ( 0.0975610 0.0975610 0.0000000), wk = 0.0018727 k( 186) = ( 0.0914634 0.0914634 0.0000000), wk = 0.0018727 k( 187) = ( 0.0853658 0.0853658 -0.0000000), wk = 0.0018727 k( 188) = ( 0.0792683 0.0792683 0.0000000), wk = 0.0018727 k( 189) = ( 0.0731707 0.0731707 -0.0000000), wk = 0.0018727 k( 190) = ( 0.0670732 0.0670732 -0.0000000), wk = 0.0018727 k( 191) = ( 0.0609756 0.0609756 -0.0000000), wk = 0.0018727 k( 192) = ( 0.0548780 0.0548780 -0.0000000), wk = 0.0018727 k( 193) = ( 0.0487805 0.0487805 0.0000000), wk = 0.0018727 k( 194) = ( 0.0426829 0.0426829 -0.0000000), wk = 0.0018727 k( 195) = ( 0.0365854 0.0365854 -0.0000000), wk = 0.0018727 k( 196) = ( 0.0304878 0.0304878 0.0000000), wk = 0.0018727 k( 197) = ( 0.0243902 0.0243902 0.0000000), wk = 0.0018727 k( 198) = ( 0.0182927 0.0182927 -0.0000000), wk = 0.0018727 k( 199) = ( 0.0121951 0.0121951 0.0000000), wk = 0.0018727 k( 200) = ( 0.0060976 0.0060976 0.0000000), wk = 0.0018727 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018727 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018727 k( 203) = ( 0.0000000 0.0000000 0.0116279), wk = 0.0018727 k( 204) = ( 0.0000000 0.0000000 0.0232558), wk = 0.0018727 k( 205) = ( 0.0000000 0.0000000 0.0348837), wk = 0.0018727 k( 206) = ( 0.0000000 0.0000000 0.0465116), wk = 0.0018727 k( 207) = ( 0.0000000 0.0000000 0.0581395), wk = 0.0018727 k( 208) = ( 0.0000000 0.0000000 0.0697674), wk = 0.0018727 k( 209) = ( 0.0000000 0.0000000 0.0813954), wk = 0.0018727 k( 210) = ( 0.0000000 0.0000000 0.0930233), wk = 0.0018727 k( 211) = ( 0.0000000 0.0000000 0.1046512), wk = 0.0018727 k( 212) = ( 0.0000000 0.0000000 0.1162791), wk = 0.0018727 k( 213) = ( 0.0000000 0.0000000 0.1279070), wk = 0.0018727 k( 214) = ( 0.0000000 0.0000000 0.1395349), wk = 0.0018727 k( 215) = ( 0.0000000 0.0000000 0.1511628), wk = 0.0018727 k( 216) = ( 0.0000000 0.0000000 0.1627907), wk = 0.0018727 k( 217) = ( 0.0000000 0.0000000 0.1744186), wk = 0.0018727 k( 218) = ( 0.0000000 0.0000000 0.1860465), wk = 0.0018727 k( 219) = ( 0.0000000 0.0000000 0.1976744), wk = 0.0018727 k( 220) = ( 0.0000000 0.0000000 0.2093023), wk = 0.0018727 k( 221) = ( 0.0000000 0.0000000 0.2209302), wk = 0.0018727 k( 222) = ( 0.0000000 0.0000000 0.2325581), wk = 0.0018727 k( 223) = ( 0.0000000 0.0000000 0.2441860), wk = 0.0018727 k( 224) = ( 0.0000000 0.0000000 0.2558140), wk = 0.0018727 k( 225) = ( 0.0000000 0.0000000 0.2674419), wk = 0.0018727 k( 226) = ( 0.0000000 0.0000000 0.2790698), wk = 0.0018727 k( 227) = ( 0.0000000 0.0000000 0.2906977), wk = 0.0018727 k( 228) = ( 0.0000000 0.0000000 0.3023256), wk = 0.0018727 k( 229) = ( 0.0000000 0.0000000 0.3139535), wk = 0.0018727 k( 230) = ( 0.0000000 0.0000000 0.3255814), wk = 0.0018727 k( 231) = ( 0.0000000 0.0000000 0.3372093), wk = 0.0018727 k( 232) = ( 0.0000000 0.0000000 0.3488372), wk = 0.0018727 k( 233) = ( 0.0000000 0.0000000 0.3604651), wk = 0.0018727 k( 234) = ( 0.0000000 0.0000000 0.3720930), wk = 0.0018727 k( 235) = ( 0.0000000 0.0000000 0.3837209), wk = 0.0018727 k( 236) = ( 0.0000000 0.0000000 0.3953488), wk = 0.0018727 k( 237) = ( 0.0000000 0.0000000 0.4069767), wk = 0.0018727 k( 238) = ( 0.0000000 0.0000000 0.4186046), wk = 0.0018727 k( 239) = ( 0.0000000 0.0000000 0.4302326), wk = 0.0018727 k( 240) = ( 0.0000000 0.0000000 0.4418605), wk = 0.0018727 k( 241) = ( 0.0000000 0.0000000 0.4534884), wk = 0.0018727 k( 242) = ( 0.0000000 0.0000000 0.4651163), wk = 0.0018727 k( 243) = ( 0.0000000 0.0000000 0.4767442), wk = 0.0018727 k( 244) = ( 0.0000000 0.0000000 0.4883721), wk = 0.0018727 k( 245) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018727 k( 246) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018727 k( 247) = ( 0.0000000 0.0086207 0.5000000), wk = 0.0018727 k( 248) = ( 0.0000000 0.0172414 0.5000000), wk = 0.0018727 k( 249) = ( 0.0000000 0.0258621 0.5000000), wk = 0.0018727 k( 250) = ( 0.0000000 0.0344828 0.5000000), wk = 0.0018727 k( 251) = ( 0.0000000 0.0431035 0.5000000), wk = 0.0018727 k( 252) = ( 0.0000000 0.0517241 0.5000000), wk = 0.0018727 k( 253) = ( 0.0000000 0.0603448 0.5000000), wk = 0.0018727 k( 254) = ( 0.0000000 0.0689655 0.5000000), wk = 0.0018727 k( 255) = ( 0.0000000 0.0775862 0.5000000), wk = 0.0018727 k( 256) = ( 0.0000000 0.0862069 0.5000000), wk = 0.0018727 k( 257) = ( 0.0000000 0.0948276 0.5000000), wk = 0.0018727 k( 258) = ( 0.0000000 0.1034483 0.5000000), wk = 0.0018727 k( 259) = ( 0.0000000 0.1120690 0.5000000), wk = 0.0018727 k( 260) = ( 0.0000000 0.1206897 0.5000000), wk = 0.0018727 k( 261) = ( 0.0000000 0.1293103 0.5000000), wk = 0.0018727 k( 262) = ( 0.0000000 0.1379310 0.5000000), wk = 0.0018727 k( 263) = ( 0.0000000 0.1465517 0.5000000), wk = 0.0018727 k( 264) = ( 0.0000000 0.1551724 0.5000000), wk = 0.0018727 k( 265) = ( 0.0000000 0.1637931 0.5000000), wk = 0.0018727 k( 266) = ( 0.0000000 0.1724138 0.5000000), wk = 0.0018727 k( 267) = ( 0.0000000 0.1810345 0.5000000), wk = 0.0018727 k( 268) = ( 0.0000000 0.1896552 0.5000000), wk = 0.0018727 k( 269) = ( 0.0000000 0.1982759 0.5000000), wk = 0.0018727 k( 270) = ( 0.0000000 0.2068966 0.5000000), wk = 0.0018727 k( 271) = ( 0.0000000 0.2155172 0.5000000), wk = 0.0018727 k( 272) = ( 0.0000000 0.2241379 0.5000000), wk = 0.0018727 k( 273) = ( 0.0000000 0.2327586 0.5000000), wk = 0.0018727 k( 274) = ( 0.0000000 0.2413793 0.5000000), wk = 0.0018727 k( 275) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0018727 k( 276) = ( 0.0000000 0.2586207 0.5000000), wk = 0.0018727 k( 277) = ( 0.0000000 0.2672414 0.5000000), wk = 0.0018727 k( 278) = ( 0.0000000 0.2758621 0.5000000), wk = 0.0018727 k( 279) = ( 0.0000000 0.2844828 0.5000000), wk = 0.0018727 k( 280) = ( 0.0000000 0.2931034 0.5000000), wk = 0.0018727 k( 281) = ( 0.0000000 0.3017241 0.5000000), wk = 0.0018727 k( 282) = ( 0.0000000 0.3103448 0.5000000), wk = 0.0018727 k( 283) = ( 0.0000000 0.3189655 0.5000000), wk = 0.0018727 k( 284) = ( 0.0000000 0.3275862 0.5000000), wk = 0.0018727 k( 285) = ( 0.0000000 0.3362069 0.5000000), wk = 0.0018727 k( 286) = ( 0.0000000 0.3448276 0.5000000), wk = 0.0018727 k( 287) = ( 0.0000000 0.3534483 0.5000000), wk = 0.0018727 k( 288) = ( 0.0000000 0.3620690 0.5000000), wk = 0.0018727 k( 289) = ( 0.0000000 0.3706897 0.5000000), wk = 0.0018727 k( 290) = ( 0.0000000 0.3793103 0.5000000), wk = 0.0018727 k( 291) = ( 0.0000000 0.3879310 0.5000000), wk = 0.0018727 k( 292) = ( 0.0000000 0.3965517 0.5000000), wk = 0.0018727 k( 293) = ( 0.0000000 0.4051724 0.5000000), wk = 0.0018727 k( 294) = ( 0.0000000 0.4137931 0.5000000), wk = 0.0018727 k( 295) = ( 0.0000000 0.4224138 0.5000000), wk = 0.0018727 k( 296) = ( 0.0000000 0.4310345 0.5000000), wk = 0.0018727 k( 297) = ( 0.0000000 0.4396552 0.5000000), wk = 0.0018727 k( 298) = ( 0.0000000 0.4482759 0.5000000), wk = 0.0018727 k( 299) = ( 0.0000000 0.4568966 0.5000000), wk = 0.0018727 k( 300) = ( 0.0000000 0.4655172 0.5000000), wk = 0.0018727 k( 301) = ( 0.0000000 0.4741379 0.5000000), wk = 0.0018727 k( 302) = ( 0.0000000 0.4827586 0.5000000), wk = 0.0018727 k( 303) = ( 0.0000000 0.4913793 0.5000000), wk = 0.0018727 k( 304) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018727 k( 305) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018727 k( 306) = ( 0.0086207 0.5000000 0.5000000), wk = 0.0018727 k( 307) = ( 0.0172414 0.5000000 0.5000000), wk = 0.0018727 k( 308) = ( 0.0258621 0.5000000 0.5000000), wk = 0.0018727 k( 309) = ( 0.0344828 0.5000000 0.5000000), wk = 0.0018727 k( 310) = ( 0.0431035 0.5000000 0.5000000), wk = 0.0018727 k( 311) = ( 0.0517241 0.5000000 0.5000000), wk = 0.0018727 k( 312) = ( 0.0603448 0.5000000 0.5000000), wk = 0.0018727 k( 313) = ( 0.0689655 0.5000000 0.5000000), wk = 0.0018727 k( 314) = ( 0.0775862 0.5000000 0.5000000), wk = 0.0018727 k( 315) = ( 0.0862069 0.5000000 0.5000000), wk = 0.0018727 k( 316) = ( 0.0948276 0.5000000 0.5000000), wk = 0.0018727 k( 317) = ( 0.1034483 0.5000000 0.5000000), wk = 0.0018727 k( 318) = ( 0.1120690 0.5000000 0.5000000), wk = 0.0018727 k( 319) = ( 0.1206897 0.5000000 0.5000000), wk = 0.0018727 k( 320) = ( 0.1293103 0.5000000 0.5000000), wk = 0.0018727 k( 321) = ( 0.1379310 0.5000000 0.5000000), wk = 0.0018727 k( 322) = ( 0.1465517 0.5000000 0.5000000), wk = 0.0018727 k( 323) = ( 0.1551724 0.5000000 0.5000000), wk = 0.0018727 k( 324) = ( 0.1637931 0.5000000 0.5000000), wk = 0.0018727 k( 325) = ( 0.1724138 0.5000000 0.5000000), wk = 0.0018727 k( 326) = ( 0.1810345 0.5000000 0.5000000), wk = 0.0018727 k( 327) = ( 0.1896552 0.5000000 0.5000000), wk = 0.0018727 k( 328) = ( 0.1982759 0.5000000 0.5000000), wk = 0.0018727 k( 329) = ( 0.2068966 0.5000000 0.5000000), wk = 0.0018727 k( 330) = ( 0.2155172 0.5000000 0.5000000), wk = 0.0018727 k( 331) = ( 0.2241379 0.5000000 0.5000000), wk = 0.0018727 k( 332) = ( 0.2327586 0.5000000 0.5000000), wk = 0.0018727 k( 333) = ( 0.2413793 0.5000000 0.5000000), wk = 0.0018727 k( 334) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0018727 k( 335) = ( 0.2586207 0.5000000 0.5000000), wk = 0.0018727 k( 336) = ( 0.2672414 0.5000000 0.5000000), wk = 0.0018727 k( 337) = ( 0.2758621 0.5000000 0.5000000), wk = 0.0018727 k( 338) = ( 0.2844828 0.5000000 0.5000000), wk = 0.0018727 k( 339) = ( 0.2931034 0.5000000 0.5000000), wk = 0.0018727 k( 340) = ( 0.3017241 0.5000000 0.5000000), wk = 0.0018727 k( 341) = ( 0.3103448 0.5000000 0.5000000), wk = 0.0018727 k( 342) = ( 0.3189655 0.5000000 0.5000000), wk = 0.0018727 k( 343) = ( 0.3275862 0.5000000 0.5000000), wk = 0.0018727 k( 344) = ( 0.3362069 0.5000000 0.5000000), wk = 0.0018727 k( 345) = ( 0.3448276 0.5000000 0.5000000), wk = 0.0018727 k( 346) = ( 0.3534483 0.5000000 0.5000000), wk = 0.0018727 k( 347) = ( 0.3620690 0.5000000 0.5000000), wk = 0.0018727 k( 348) = ( 0.3706897 0.5000000 0.5000000), wk = 0.0018727 k( 349) = ( 0.3793103 0.5000000 0.5000000), wk = 0.0018727 k( 350) = ( 0.3879310 0.5000000 0.5000000), wk = 0.0018727 k( 351) = ( 0.3965517 0.5000000 0.5000000), wk = 0.0018727 k( 352) = ( 0.4051724 0.5000000 0.5000000), wk = 0.0018727 k( 353) = ( 0.4137931 0.5000000 0.5000000), wk = 0.0018727 k( 354) = ( 0.4224138 0.5000000 0.5000000), wk = 0.0018727 k( 355) = ( 0.4310345 0.5000000 0.5000000), wk = 0.0018727 k( 356) = ( 0.4396552 0.5000000 0.5000000), wk = 0.0018727 k( 357) = ( 0.4482759 0.5000000 0.5000000), wk = 0.0018727 k( 358) = ( 0.4568966 0.5000000 0.5000000), wk = 0.0018727 k( 359) = ( 0.4655172 0.5000000 0.5000000), wk = 0.0018727 k( 360) = ( 0.4741379 0.5000000 0.5000000), wk = 0.0018727 k( 361) = ( 0.4827586 0.5000000 0.5000000), wk = 0.0018727 k( 362) = ( 0.4913793 0.5000000 0.5000000), wk = 0.0018727 k( 363) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018727 k( 364) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018727 k( 365) = ( 0.4939024 0.4939024 0.5000000), wk = 0.0018727 k( 366) = ( 0.4878049 0.4878049 0.5000000), wk = 0.0018727 k( 367) = ( 0.4817073 0.4817073 0.5000000), wk = 0.0018727 k( 368) = ( 0.4756098 0.4756098 0.5000000), wk = 0.0018727 k( 369) = ( 0.4695122 0.4695122 0.5000000), wk = 0.0018727 k( 370) = ( 0.4634146 0.4634146 0.5000000), wk = 0.0018727 k( 371) = ( 0.4573171 0.4573171 0.5000000), wk = 0.0018727 k( 372) = ( 0.4512195 0.4512195 0.5000000), wk = 0.0018727 k( 373) = ( 0.4451219 0.4451219 0.5000000), wk = 0.0018727 k( 374) = ( 0.4390244 0.4390244 0.5000000), wk = 0.0018727 k( 375) = ( 0.4329268 0.4329268 0.5000000), wk = 0.0018727 k( 376) = ( 0.4268293 0.4268293 0.5000000), wk = 0.0018727 k( 377) = ( 0.4207317 0.4207317 0.5000000), wk = 0.0018727 k( 378) = ( 0.4146341 0.4146341 0.5000000), wk = 0.0018727 k( 379) = ( 0.4085366 0.4085366 0.5000000), wk = 0.0018727 k( 380) = ( 0.4024390 0.4024390 0.5000000), wk = 0.0018727 k( 381) = ( 0.3963415 0.3963415 0.5000000), wk = 0.0018727 k( 382) = ( 0.3902439 0.3902439 0.5000000), wk = 0.0018727 k( 383) = ( 0.3841463 0.3841463 0.5000000), wk = 0.0018727 k( 384) = ( 0.3780488 0.3780488 0.5000000), wk = 0.0018727 k( 385) = ( 0.3719512 0.3719512 0.5000000), wk = 0.0018727 k( 386) = ( 0.3658537 0.3658537 0.5000000), wk = 0.0018727 k( 387) = ( 0.3597561 0.3597561 0.5000000), wk = 0.0018727 k( 388) = ( 0.3536585 0.3536585 0.5000000), wk = 0.0018727 k( 389) = ( 0.3475610 0.3475610 0.5000000), wk = 0.0018727 k( 390) = ( 0.3414634 0.3414634 0.5000000), wk = 0.0018727 k( 391) = ( 0.3353659 0.3353659 0.5000000), wk = 0.0018727 k( 392) = ( 0.3292683 0.3292683 0.5000000), wk = 0.0018727 k( 393) = ( 0.3231707 0.3231707 0.5000000), wk = 0.0018727 k( 394) = ( 0.3170732 0.3170732 0.5000000), wk = 0.0018727 k( 395) = ( 0.3109756 0.3109756 0.5000000), wk = 0.0018727 k( 396) = ( 0.3048781 0.3048781 0.5000000), wk = 0.0018727 k( 397) = ( 0.2987805 0.2987805 0.5000000), wk = 0.0018727 k( 398) = ( 0.2926829 0.2926829 0.5000000), wk = 0.0018727 k( 399) = ( 0.2865854 0.2865854 0.5000000), wk = 0.0018727 k( 400) = ( 0.2804878 0.2804878 0.5000000), wk = 0.0018727 k( 401) = ( 0.2743902 0.2743902 0.5000000), wk = 0.0018727 k( 402) = ( 0.2682927 0.2682927 0.5000000), wk = 0.0018727 k( 403) = ( 0.2621951 0.2621951 0.5000000), wk = 0.0018727 k( 404) = ( 0.2560976 0.2560976 0.5000000), wk = 0.0018727 k( 405) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0018727 k( 406) = ( 0.2439024 0.2439024 0.5000000), wk = 0.0018727 k( 407) = ( 0.2378049 0.2378049 0.5000000), wk = 0.0018727 k( 408) = ( 0.2317073 0.2317073 0.5000000), wk = 0.0018727 k( 409) = ( 0.2256098 0.2256098 0.5000000), wk = 0.0018727 k( 410) = ( 0.2195122 0.2195122 0.5000000), wk = 0.0018727 k( 411) = ( 0.2134146 0.2134146 0.5000000), wk = 0.0018727 k( 412) = ( 0.2073171 0.2073171 0.5000000), wk = 0.0018727 k( 413) = ( 0.2012195 0.2012195 0.5000000), wk = 0.0018727 k( 414) = ( 0.1951219 0.1951219 0.5000000), wk = 0.0018727 k( 415) = ( 0.1890244 0.1890244 0.5000000), wk = 0.0018727 k( 416) = ( 0.1829268 0.1829268 0.5000000), wk = 0.0018727 k( 417) = ( 0.1768293 0.1768293 0.5000000), wk = 0.0018727 k( 418) = ( 0.1707317 0.1707317 0.5000000), wk = 0.0018727 k( 419) = ( 0.1646342 0.1646342 0.5000000), wk = 0.0018727 k( 420) = ( 0.1585366 0.1585366 0.5000000), wk = 0.0018727 k( 421) = ( 0.1524390 0.1524390 0.5000000), wk = 0.0018727 k( 422) = ( 0.1463415 0.1463415 0.5000000), wk = 0.0018727 k( 423) = ( 0.1402439 0.1402439 0.5000000), wk = 0.0018727 k( 424) = ( 0.1341463 0.1341463 0.5000000), wk = 0.0018727 k( 425) = ( 0.1280488 0.1280488 0.5000000), wk = 0.0018727 k( 426) = ( 0.1219512 0.1219512 0.5000000), wk = 0.0018727 k( 427) = ( 0.1158537 0.1158537 0.5000000), wk = 0.0018727 k( 428) = ( 0.1097561 0.1097561 0.5000000), wk = 0.0018727 k( 429) = ( 0.1036585 0.1036585 0.5000000), wk = 0.0018727 k( 430) = ( 0.0975610 0.0975610 0.5000000), wk = 0.0018727 k( 431) = ( 0.0914634 0.0914634 0.5000000), wk = 0.0018727 k( 432) = ( 0.0853658 0.0853658 0.5000000), wk = 0.0018727 k( 433) = ( 0.0792683 0.0792683 0.5000000), wk = 0.0018727 k( 434) = ( 0.0731707 0.0731707 0.5000000), wk = 0.0018727 k( 435) = ( 0.0670732 0.0670732 0.5000000), wk = 0.0018727 k( 436) = ( 0.0609756 0.0609756 0.5000000), wk = 0.0018727 k( 437) = ( 0.0548780 0.0548780 0.5000000), wk = 0.0018727 k( 438) = ( 0.0487805 0.0487805 0.5000000), wk = 0.0018727 k( 439) = ( 0.0426829 0.0426829 0.5000000), wk = 0.0018727 k( 440) = ( 0.0365854 0.0365854 0.5000000), wk = 0.0018727 k( 441) = ( 0.0304878 0.0304878 0.5000000), wk = 0.0018727 k( 442) = ( 0.0243902 0.0243902 0.5000000), wk = 0.0018727 k( 443) = ( 0.0182927 0.0182927 0.5000000), wk = 0.0018727 k( 444) = ( 0.0121951 0.0121951 0.5000000), wk = 0.0018727 k( 445) = ( 0.0060976 0.0060976 0.5000000), wk = 0.0018727 k( 446) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018727 k( 447) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0018727 k( 448) = ( 0.0000000 0.5000000 0.0116279), wk = 0.0018727 k( 449) = ( 0.0000000 0.5000000 0.0232558), wk = 0.0018727 k( 450) = ( 0.0000000 0.5000000 0.0348837), wk = 0.0018727 k( 451) = ( 0.0000000 0.5000000 0.0465116), wk = 0.0018727 k( 452) = ( 0.0000000 0.5000000 0.0581395), wk = 0.0018727 k( 453) = ( 0.0000000 0.5000000 0.0697674), wk = 0.0018727 k( 454) = ( 0.0000000 0.5000000 0.0813954), wk = 0.0018727 k( 455) = ( 0.0000000 0.5000000 0.0930233), wk = 0.0018727 k( 456) = ( 0.0000000 0.5000000 0.1046512), wk = 0.0018727 k( 457) = ( 0.0000000 0.5000000 0.1162791), wk = 0.0018727 k( 458) = ( 0.0000000 0.5000000 0.1279070), wk = 0.0018727 k( 459) = ( 0.0000000 0.5000000 0.1395349), wk = 0.0018727 k( 460) = ( 0.0000000 0.5000000 0.1511628), wk = 0.0018727 k( 461) = ( 0.0000000 0.5000000 0.1627907), wk = 0.0018727 k( 462) = ( 0.0000000 0.5000000 0.1744186), wk = 0.0018727 k( 463) = ( 0.0000000 0.5000000 0.1860465), wk = 0.0018727 k( 464) = ( 0.0000000 0.5000000 0.1976744), wk = 0.0018727 k( 465) = ( 0.0000000 0.5000000 0.2093023), wk = 0.0018727 k( 466) = ( 0.0000000 0.5000000 0.2209302), wk = 0.0018727 k( 467) = ( 0.0000000 0.5000000 0.2325581), wk = 0.0018727 k( 468) = ( 0.0000000 0.5000000 0.2441860), wk = 0.0018727 k( 469) = ( 0.0000000 0.5000000 0.2558140), wk = 0.0018727 k( 470) = ( 0.0000000 0.5000000 0.2674419), wk = 0.0018727 k( 471) = ( 0.0000000 0.5000000 0.2790698), wk = 0.0018727 k( 472) = ( 0.0000000 0.5000000 0.2906977), wk = 0.0018727 k( 473) = ( 0.0000000 0.5000000 0.3023256), wk = 0.0018727 k( 474) = ( 0.0000000 0.5000000 0.3139535), wk = 0.0018727 k( 475) = ( 0.0000000 0.5000000 0.3255814), wk = 0.0018727 k( 476) = ( 0.0000000 0.5000000 0.3372093), wk = 0.0018727 k( 477) = ( 0.0000000 0.5000000 0.3488372), wk = 0.0018727 k( 478) = ( 0.0000000 0.5000000 0.3604651), wk = 0.0018727 k( 479) = ( 0.0000000 0.5000000 0.3720930), wk = 0.0018727 k( 480) = ( 0.0000000 0.5000000 0.3837209), wk = 0.0018727 k( 481) = ( 0.0000000 0.5000000 0.3953488), wk = 0.0018727 k( 482) = ( 0.0000000 0.5000000 0.4069767), wk = 0.0018727 k( 483) = ( 0.0000000 0.5000000 0.4186046), wk = 0.0018727 k( 484) = ( 0.0000000 0.5000000 0.4302326), wk = 0.0018727 k( 485) = ( 0.0000000 0.5000000 0.4418605), wk = 0.0018727 k( 486) = ( 0.0000000 0.5000000 0.4534884), wk = 0.0018727 k( 487) = ( 0.0000000 0.5000000 0.4651163), wk = 0.0018727 k( 488) = ( 0.0000000 0.5000000 0.4767442), wk = 0.0018727 k( 489) = ( 0.0000000 0.5000000 0.4883721), wk = 0.0018727 k( 490) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0018727 k( 491) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0018727 k( 492) = ( 0.5000000 0.5000000 0.0116279), wk = 0.0018727 k( 493) = ( 0.5000000 0.5000000 0.0232558), wk = 0.0018727 k( 494) = ( 0.5000000 0.5000000 0.0348837), wk = 0.0018727 k( 495) = ( 0.5000000 0.5000000 0.0465116), wk = 0.0018727 k( 496) = ( 0.5000000 0.5000000 0.0581395), wk = 0.0018727 k( 497) = ( 0.5000000 0.5000000 0.0697674), wk = 0.0018727 k( 498) = ( 0.5000000 0.5000000 0.0813954), wk = 0.0018727 k( 499) = ( 0.5000000 0.5000000 0.0930233), wk = 0.0018727 k( 500) = ( 0.5000000 0.5000000 0.1046512), wk = 0.0018727 k( 501) = ( 0.5000000 0.5000000 0.1162791), wk = 0.0018727 k( 502) = ( 0.5000000 0.5000000 0.1279070), wk = 0.0018727 k( 503) = ( 0.5000000 0.5000000 0.1395349), wk = 0.0018727 k( 504) = ( 0.5000000 0.5000000 0.1511628), wk = 0.0018727 k( 505) = ( 0.5000000 0.5000000 0.1627907), wk = 0.0018727 k( 506) = ( 0.5000000 0.5000000 0.1744186), wk = 0.0018727 k( 507) = ( 0.5000000 0.5000000 0.1860465), wk = 0.0018727 k( 508) = ( 0.5000000 0.5000000 0.1976744), wk = 0.0018727 k( 509) = ( 0.5000000 0.5000000 0.2093023), wk = 0.0018727 k( 510) = ( 0.5000000 0.5000000 0.2209302), wk = 0.0018727 k( 511) = ( 0.5000000 0.5000000 0.2325581), wk = 0.0018727 k( 512) = ( 0.5000000 0.5000000 0.2441860), wk = 0.0018727 k( 513) = ( 0.5000000 0.5000000 0.2558140), wk = 0.0018727 k( 514) = ( 0.5000000 0.5000000 0.2674419), wk = 0.0018727 k( 515) = ( 0.5000000 0.5000000 0.2790698), wk = 0.0018727 k( 516) = ( 0.5000000 0.5000000 0.2906977), wk = 0.0018727 k( 517) = ( 0.5000000 0.5000000 0.3023256), wk = 0.0018727 k( 518) = ( 0.5000000 0.5000000 0.3139535), wk = 0.0018727 k( 519) = ( 0.5000000 0.5000000 0.3255814), wk = 0.0018727 k( 520) = ( 0.5000000 0.5000000 0.3372093), wk = 0.0018727 k( 521) = ( 0.5000000 0.5000000 0.3488372), wk = 0.0018727 k( 522) = ( 0.5000000 0.5000000 0.3604651), wk = 0.0018727 k( 523) = ( 0.5000000 0.5000000 0.3720930), wk = 0.0018727 k( 524) = ( 0.5000000 0.5000000 0.3837209), wk = 0.0018727 k( 525) = ( 0.5000000 0.5000000 0.3953488), wk = 0.0018727 k( 526) = ( 0.5000000 0.5000000 0.4069767), wk = 0.0018727 k( 527) = ( 0.5000000 0.5000000 0.4186047), wk = 0.0018727 k( 528) = ( 0.5000000 0.5000000 0.4302326), wk = 0.0018727 k( 529) = ( 0.5000000 0.5000000 0.4418605), wk = 0.0018727 k( 530) = ( 0.5000000 0.5000000 0.4534884), wk = 0.0018727 k( 531) = ( 0.5000000 0.5000000 0.4651163), wk = 0.0018727 k( 532) = ( 0.5000000 0.5000000 0.4767442), wk = 0.0018727 k( 533) = ( 0.5000000 0.5000000 0.4883721), wk = 0.0018727 k( 534) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0018727 Dense grid: 28275 G-vectors FFT dimensions: ( 36, 36, 48) Smooth grid: 7847 G-vectors FFT dimensions: ( 24, 24, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 68, 26) NL pseudopotentials 0.04 Mb ( 34, 68) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 783) G-vector shells 0.00 Mb ( 378) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.11 Mb ( 68, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.05 Mb ( 68, 2, 26) The potential is recalculated from file : ./FePt.save/charge-density.dat Starting wfc are 36 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.5 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 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 2.8 secs Computing kpt #: 7 total cpu time spent up to now is 2.9 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 3.9 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 4.4 secs Computing kpt #: 21 total cpu time spent up to now is 4.5 secs Computing kpt #: 22 total cpu time spent up to now is 4.6 secs Computing kpt #: 23 total cpu time spent up to now is 4.7 secs Computing kpt #: 24 total cpu time spent up to now is 4.8 secs Computing kpt #: 25 total cpu time spent up to now is 4.9 secs Computing kpt #: 26 total cpu time spent up to now is 5.0 secs Computing kpt #: 27 total cpu time spent up to now is 5.1 secs Computing kpt #: 28 total cpu time spent up to now is 5.2 secs Computing kpt #: 29 total cpu time spent up to now is 5.3 secs Computing kpt #: 30 total cpu time spent up to now is 5.4 secs Computing kpt #: 31 total cpu time spent up to now is 5.5 secs Computing kpt #: 32 total cpu time spent up to now is 5.6 secs Computing kpt #: 33 total cpu time spent up to now is 5.7 secs Computing kpt #: 34 total cpu time spent up to now is 5.8 secs Computing kpt #: 35 total cpu time spent up to now is 5.9 secs Computing kpt #: 36 total cpu time spent up to now is 6.1 secs Computing kpt #: 37 total cpu time spent up to now is 6.2 secs Computing kpt #: 38 total cpu time spent up to now is 6.2 secs Computing kpt #: 39 total cpu time spent up to now is 6.3 secs Computing kpt #: 40 total cpu time spent up to now is 6.4 secs Computing kpt #: 41 total cpu time spent up to now is 6.5 secs Computing kpt #: 42 total cpu time spent up to now is 6.7 secs Computing kpt #: 43 total cpu time spent up to now is 6.8 secs Computing kpt #: 44 total cpu time spent up to now is 6.9 secs Computing kpt #: 45 total cpu time spent up to now is 7.0 secs Computing kpt #: 46 total cpu time spent up to now is 7.1 secs Computing kpt #: 47 total cpu time spent up to now is 7.2 secs Computing kpt #: 48 total cpu time spent up to now is 7.3 secs Computing kpt #: 49 total cpu time spent up to now is 7.4 secs Computing kpt #: 50 total cpu time spent up to now is 7.5 secs Computing kpt #: 51 total cpu time spent up to now is 7.6 secs Computing kpt #: 52 total cpu time spent up to now is 7.7 secs Computing kpt #: 53 total cpu time spent up to now is 7.8 secs Computing kpt #: 54 total cpu time spent up to now is 7.9 secs Computing kpt #: 55 total cpu time spent up to now is 8.0 secs Computing kpt #: 56 total cpu time spent up to now is 8.2 secs Computing kpt #: 57 total cpu time spent up to now is 8.3 secs Computing kpt #: 58 total cpu time spent up to now is 8.4 secs Computing kpt #: 59 total cpu time spent up to now is 8.5 secs Computing kpt #: 60 total cpu time spent up to now is 8.6 secs Computing kpt #: 61 total cpu time spent up to now is 8.7 secs Computing kpt #: 62 total cpu time spent up to now is 8.8 secs Computing kpt #: 63 total cpu time spent up to now is 9.0 secs Computing kpt #: 64 total cpu time spent up to now is 9.1 secs Computing kpt #: 65 total cpu time spent up to now is 9.2 secs Computing kpt #: 66 total cpu time spent up to now is 9.3 secs Computing kpt #: 67 total cpu time spent up to now is 9.4 secs Computing kpt #: 68 total cpu time spent up to now is 9.6 secs Computing kpt #: 69 total cpu time spent up to now is 9.7 secs Computing kpt #: 70 total cpu time spent up to now is 9.8 secs Computing kpt #: 71 total cpu time spent up to now is 9.9 secs Computing kpt #: 72 total cpu time spent up to now is 10.0 secs Computing kpt #: 73 total cpu time spent up to now is 10.1 secs Computing kpt #: 74 total cpu time spent up to now is 10.3 secs Computing kpt #: 75 total cpu time spent up to now is 10.4 secs Computing kpt #: 76 total cpu time spent up to now is 10.5 secs Computing kpt #: 77 total cpu time spent up to now is 10.6 secs Computing kpt #: 78 total cpu time spent up to now is 10.7 secs Computing kpt #: 79 total cpu time spent up to now is 10.9 secs Computing kpt #: 80 total cpu time spent up to now is 11.0 secs Computing kpt #: 81 total cpu time spent up to now is 11.1 secs Computing kpt #: 82 total cpu time spent up to now is 11.2 secs Computing kpt #: 83 total cpu time spent up to now is 11.3 secs Computing kpt #: 84 total cpu time spent up to now is 11.5 secs Computing kpt #: 85 total cpu time spent up to now is 11.6 secs Computing kpt #: 86 total cpu time spent up to now is 11.8 secs Computing kpt #: 87 total cpu time spent up to now is 11.9 secs Computing kpt #: 88 total cpu time spent up to now is 12.1 secs Computing kpt #: 89 total cpu time spent up to now is 12.3 secs Computing kpt #: 90 total cpu time spent up to now is 12.5 secs Computing kpt #: 91 total cpu time spent up to now is 12.6 secs Computing kpt #: 92 total cpu time spent up to now is 12.8 secs Computing kpt #: 93 total cpu time spent up to now is 12.9 secs Computing kpt #: 94 total cpu time spent up to now is 13.0 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 13.6 secs Computing kpt #: 100 total cpu time spent up to now is 13.7 secs Computing kpt #: 101 total cpu time spent up to now is 13.8 secs Computing kpt #: 102 total cpu time spent up to now is 13.9 secs Computing kpt #: 103 total cpu time spent up to now is 14.0 secs Computing kpt #: 104 total cpu time spent up to now is 14.1 secs Computing kpt #: 105 total cpu time spent up to now is 14.2 secs Computing kpt #: 106 total cpu time spent up to now is 14.3 secs Computing kpt #: 107 total cpu time spent up to now is 14.5 secs Computing kpt #: 108 total cpu time spent up to now is 14.6 secs Computing kpt #: 109 total cpu time spent up to now is 14.6 secs Computing kpt #: 110 total cpu time spent up to now is 14.8 secs Computing kpt #: 111 total cpu time spent up to now is 14.8 secs Computing kpt #: 112 total cpu time spent up to now is 14.9 secs Computing kpt #: 113 total cpu time spent up to now is 15.0 secs Computing kpt #: 114 total cpu time spent up to now is 15.1 secs Computing kpt #: 115 total cpu time spent up to now is 15.2 secs Computing kpt #: 116 total cpu time spent up to now is 15.3 secs Computing kpt #: 117 total cpu time spent up to now is 15.4 secs Computing kpt #: 118 total cpu time spent up to now is 15.5 secs Computing kpt #: 119 total cpu time spent up to now is 15.6 secs Computing kpt #: 120 total cpu time spent up to now is 15.7 secs Computing kpt #: 121 total cpu time spent up to now is 15.8 secs Computing kpt #: 122 total cpu time spent up to now is 15.9 secs Computing kpt #: 123 total cpu time spent up to now is 16.1 secs Computing kpt #: 124 total cpu time spent up to now is 16.2 secs Computing kpt #: 125 total cpu time spent up to now is 16.3 secs Computing kpt #: 126 total cpu time spent up to now is 16.4 secs Computing kpt #: 127 total cpu time spent up to now is 16.5 secs Computing kpt #: 128 total cpu time spent up to now is 16.6 secs Computing kpt #: 129 total cpu time spent up to now is 16.7 secs Computing kpt #: 130 total cpu time spent up to now is 16.8 secs Computing kpt #: 131 total cpu time spent up to now is 16.9 secs Computing kpt #: 132 total cpu time spent up to now is 17.0 secs Computing kpt #: 133 total cpu time spent up to now is 17.1 secs Computing kpt #: 134 total cpu time spent up to now is 17.2 secs Computing kpt #: 135 total cpu time spent up to now is 17.4 secs Computing kpt #: 136 total cpu time spent up to now is 17.5 secs Computing kpt #: 137 total cpu time spent up to now is 17.6 secs Computing kpt #: 138 total cpu time spent up to now is 17.7 secs Computing kpt #: 139 total cpu time spent up to now is 17.8 secs Computing kpt #: 140 total cpu time spent up to now is 17.9 secs Computing kpt #: 141 total cpu time spent up to now is 18.0 secs Computing kpt #: 142 total cpu time spent up to now is 18.1 secs Computing kpt #: 143 total cpu time spent up to now is 18.2 secs Computing kpt #: 144 total cpu time spent up to now is 18.3 secs Computing kpt #: 145 total cpu time spent up to now is 18.4 secs Computing kpt #: 146 total cpu time spent up to now is 18.5 secs Computing kpt #: 147 total cpu time spent up to now is 18.6 secs Computing kpt #: 148 total cpu time spent up to now is 18.8 secs Computing kpt #: 149 total cpu time spent up to now is 18.9 secs Computing kpt #: 150 total cpu time spent up to now is 19.0 secs Computing kpt #: 151 total cpu time spent up to now is 19.1 secs Computing kpt #: 152 total cpu time spent up to now is 19.2 secs Computing kpt #: 153 total cpu time spent up to now is 19.4 secs Computing kpt #: 154 total cpu time spent up to now is 19.5 secs Computing kpt #: 155 total cpu time spent up to now is 19.6 secs Computing kpt #: 156 total cpu time spent up to now is 19.8 secs Computing kpt #: 157 total cpu time spent up to now is 20.0 secs Computing kpt #: 158 total cpu time spent up to now is 20.2 secs Computing kpt #: 159 total cpu time spent up to now is 20.3 secs Computing kpt #: 160 total cpu time spent up to now is 20.5 secs Computing kpt #: 161 total cpu time spent up to now is 20.6 secs Computing kpt #: 162 total cpu time spent up to now is 20.7 secs Computing kpt #: 163 total cpu time spent up to now is 20.9 secs Computing kpt #: 164 total cpu time spent up to now is 21.0 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 21.5 secs Computing kpt #: 168 total cpu time spent up to now is 21.7 secs Computing kpt #: 169 total cpu time spent up to now is 21.8 secs Computing kpt #: 170 total cpu time spent up to now is 22.0 secs Computing kpt #: 171 total cpu time spent up to now is 22.2 secs Computing kpt #: 172 total cpu time spent up to now is 22.3 secs Computing kpt #: 173 total cpu time spent up to now is 22.5 secs Computing kpt #: 174 total cpu time spent up to now is 22.7 secs Computing kpt #: 175 total cpu time spent up to now is 22.8 secs Computing kpt #: 176 total cpu time spent up to now is 23.0 secs Computing kpt #: 177 total cpu time spent up to now is 23.1 secs Computing kpt #: 178 total cpu time spent up to now is 23.2 secs Computing kpt #: 179 total cpu time spent up to now is 23.3 secs Computing kpt #: 180 total cpu time spent up to now is 23.4 secs Computing kpt #: 181 total cpu time spent up to now is 23.5 secs Computing kpt #: 182 total cpu time spent up to now is 23.6 secs Computing kpt #: 183 total cpu time spent up to now is 23.7 secs Computing kpt #: 184 total cpu time spent up to now is 23.9 secs Computing kpt #: 185 total cpu time spent up to now is 24.0 secs Computing kpt #: 186 total cpu time spent up to now is 24.1 secs Computing kpt #: 187 total cpu time spent up to now is 24.2 secs Computing kpt #: 188 total cpu time spent up to now is 24.3 secs Computing kpt #: 189 total cpu time spent up to now is 24.4 secs Computing kpt #: 190 total cpu time spent up to now is 24.6 secs Computing kpt #: 191 total cpu time spent up to now is 24.7 secs Computing kpt #: 192 total cpu time spent up to now is 24.8 secs Computing kpt #: 193 total cpu time spent up to now is 24.9 secs Computing kpt #: 194 total cpu time spent up to now is 25.0 secs Computing kpt #: 195 total cpu time spent up to now is 25.1 secs Computing kpt #: 196 total cpu time spent up to now is 25.3 secs Computing kpt #: 197 total cpu time spent up to now is 25.4 secs Computing kpt #: 198 total cpu time spent up to now is 25.5 secs Computing kpt #: 199 total cpu time spent up to now is 25.6 secs Computing kpt #: 200 total cpu time spent up to now is 25.7 secs Computing kpt #: 201 total cpu time spent up to now is 25.8 secs Computing kpt #: 202 total cpu time spent up to now is 25.9 secs Computing kpt #: 203 total cpu time spent up to now is 26.0 secs Computing kpt #: 204 total cpu time spent up to now is 26.0 secs Computing kpt #: 205 total cpu time spent up to now is 26.1 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 26.4 secs Computing kpt #: 209 total cpu time spent up to now is 26.5 secs Computing kpt #: 210 total cpu time spent up to now is 26.6 secs Computing kpt #: 211 total cpu time spent up to now is 26.8 secs Computing kpt #: 212 total cpu time spent up to now is 26.9 secs Computing kpt #: 213 total cpu time spent up to now is 27.0 secs Computing kpt #: 214 total cpu time spent up to now is 27.1 secs Computing kpt #: 215 total cpu time spent up to now is 27.2 secs Computing kpt #: 216 total cpu time spent up to now is 27.3 secs Computing kpt #: 217 total cpu time spent up to now is 27.5 secs Computing kpt #: 218 total cpu time spent up to now is 27.6 secs Computing kpt #: 219 total cpu time spent up to now is 27.7 secs Computing kpt #: 220 total cpu time spent up to now is 27.8 secs Computing kpt #: 221 total cpu time spent up to now is 27.9 secs Computing kpt #: 222 total cpu time spent up to now is 28.0 secs Computing kpt #: 223 total cpu time spent up to now is 28.2 secs Computing kpt #: 224 total cpu time spent up to now is 28.3 secs Computing kpt #: 225 total cpu time spent up to now is 28.4 secs Computing kpt #: 226 total cpu time spent up to now is 28.5 secs Computing kpt #: 227 total cpu time spent up to now is 28.6 secs Computing kpt #: 228 total cpu time spent up to now is 28.7 secs Computing kpt #: 229 total cpu time spent up to now is 28.9 secs Computing kpt #: 230 total cpu time spent up to now is 29.0 secs Computing kpt #: 231 total cpu time spent up to now is 29.1 secs Computing kpt #: 232 total cpu time spent up to now is 29.2 secs Computing kpt #: 233 total cpu time spent up to now is 29.3 secs Computing kpt #: 234 total cpu time spent up to now is 29.5 secs Computing kpt #: 235 total cpu time spent up to now is 29.6 secs Computing kpt #: 236 total cpu time spent up to now is 29.7 secs Computing kpt #: 237 total cpu time spent up to now is 29.8 secs Computing kpt #: 238 total cpu time spent up to now is 29.9 secs Computing kpt #: 239 total cpu time spent up to now is 30.0 secs Computing kpt #: 240 total cpu time spent up to now is 30.2 secs Computing kpt #: 241 total cpu time spent up to now is 30.3 secs Computing kpt #: 242 total cpu time spent up to now is 30.4 secs Computing kpt #: 243 total cpu time spent up to now is 30.6 secs Computing kpt #: 244 total cpu time spent up to now is 30.7 secs Computing kpt #: 245 total cpu time spent up to now is 30.9 secs Computing kpt #: 246 total cpu time spent up to now is 31.0 secs Computing kpt #: 247 total cpu time spent up to now is 31.3 secs Computing kpt #: 248 total cpu time spent up to now is 31.4 secs Computing kpt #: 249 total cpu time spent up to now is 31.6 secs Computing kpt #: 250 total cpu time spent up to now is 31.8 secs Computing kpt #: 251 total cpu time spent up to now is 31.9 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 32.5 secs Computing kpt #: 256 total cpu time spent up to now is 32.6 secs Computing kpt #: 257 total cpu time spent up to now is 32.7 secs Computing kpt #: 258 total cpu time spent up to now is 32.9 secs Computing kpt #: 259 total cpu time spent up to now is 33.0 secs Computing kpt #: 260 total cpu time spent up to now is 33.1 secs Computing kpt #: 261 total cpu time spent up to now is 33.3 secs Computing kpt #: 262 total cpu time spent up to now is 33.4 secs Computing kpt #: 263 total cpu time spent up to now is 33.5 secs Computing kpt #: 264 total cpu time spent up to now is 33.7 secs Computing kpt #: 265 total cpu time spent up to now is 33.8 secs Computing kpt #: 266 total cpu time spent up to now is 33.9 secs Computing kpt #: 267 total cpu time spent up to now is 34.0 secs Computing kpt #: 268 total cpu time spent up to now is 34.1 secs Computing kpt #: 269 total cpu time spent up to now is 34.3 secs Computing kpt #: 270 total cpu time spent up to now is 34.4 secs Computing kpt #: 271 total cpu time spent up to now is 34.5 secs Computing kpt #: 272 total cpu time spent up to now is 34.6 secs Computing kpt #: 273 total cpu time spent up to now is 34.7 secs Computing kpt #: 274 total cpu time spent up to now is 34.9 secs Computing kpt #: 275 total cpu time spent up to now is 35.0 secs Computing kpt #: 276 total cpu time spent up to now is 35.1 secs Computing kpt #: 277 total cpu time spent up to now is 35.2 secs Computing kpt #: 278 total cpu time spent up to now is 35.3 secs Computing kpt #: 279 total cpu time spent up to now is 35.4 secs Computing kpt #: 280 total cpu time spent up to now is 35.5 secs Computing kpt #: 281 total cpu time spent up to now is 35.6 secs Computing kpt #: 282 total cpu time spent up to now is 35.7 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 36.6 secs Computing kpt #: 292 total cpu time spent up to now is 36.7 secs Computing kpt #: 293 total cpu time spent up to now is 36.8 secs Computing kpt #: 294 total cpu time spent up to now is 36.9 secs Computing kpt #: 295 total cpu time spent up to now is 37.0 secs Computing kpt #: 296 total cpu time spent up to now is 37.1 secs Computing kpt #: 297 total cpu time spent up to now is 37.2 secs Computing kpt #: 298 total cpu time spent up to now is 37.3 secs Computing kpt #: 299 total cpu time spent up to now is 37.4 secs Computing kpt #: 300 total cpu time spent up to now is 37.4 secs Computing kpt #: 301 total cpu time spent up to now is 37.5 secs Computing kpt #: 302 total cpu time spent up to now is 37.6 secs Computing kpt #: 303 total cpu time spent up to now is 37.7 secs Computing kpt #: 304 total cpu time spent up to now is 37.8 secs Computing kpt #: 305 total cpu time spent up to now is 37.9 secs Computing kpt #: 306 total cpu time spent up to now is 38.0 secs Computing kpt #: 307 total cpu time spent up to now is 38.1 secs Computing kpt #: 308 total cpu time spent up to now is 38.2 secs Computing kpt #: 309 total cpu time spent up to now is 38.3 secs Computing kpt #: 310 total cpu time spent up to now is 38.4 secs Computing kpt #: 311 total cpu time spent up to now is 38.5 secs Computing kpt #: 312 total cpu time spent up to now is 38.5 secs Computing kpt #: 313 total cpu time spent up to now is 38.6 secs Computing kpt #: 314 total cpu time spent up to now is 38.7 secs Computing kpt #: 315 total cpu time spent up to now is 38.8 secs Computing kpt #: 316 total cpu time spent up to now is 38.9 secs Computing kpt #: 317 total cpu time spent up to now is 39.0 secs Computing kpt #: 318 total cpu time spent up to now is 39.1 secs Computing kpt #: 319 total cpu time spent up to now is 39.2 secs Computing kpt #: 320 total cpu time spent up to now is 39.3 secs Computing kpt #: 321 total cpu time spent up to now is 39.4 secs Computing kpt #: 322 total cpu time spent up to now is 39.5 secs Computing kpt #: 323 total cpu time spent up to now is 39.6 secs Computing kpt #: 324 total cpu time spent up to now is 39.7 secs Computing kpt #: 325 total cpu time spent up to now is 39.8 secs Computing kpt #: 326 total cpu time spent up to now is 39.9 secs Computing kpt #: 327 total cpu time spent up to now is 40.0 secs Computing kpt #: 328 total cpu time spent up to now is 40.1 secs Computing kpt #: 329 total cpu time spent up to now is 40.2 secs Computing kpt #: 330 total cpu time spent up to now is 40.3 secs Computing kpt #: 331 total cpu time spent up to now is 40.4 secs Computing kpt #: 332 total cpu time spent up to now is 40.5 secs Computing kpt #: 333 total cpu time spent up to now is 40.6 secs Computing kpt #: 334 total cpu time spent up to now is 40.7 secs Computing kpt #: 335 total cpu time spent up to now is 40.8 secs Computing kpt #: 336 total cpu time spent up to now is 40.9 secs Computing kpt #: 337 total cpu time spent up to now is 41.0 secs Computing kpt #: 338 total cpu time spent up to now is 41.1 secs Computing kpt #: 339 total cpu time spent up to now is 41.2 secs Computing kpt #: 340 total cpu time spent up to now is 41.3 secs Computing kpt #: 341 total cpu time spent up to now is 41.4 secs Computing kpt #: 342 total cpu time spent up to now is 41.5 secs Computing kpt #: 343 total cpu time spent up to now is 41.6 secs Computing kpt #: 344 total cpu time spent up to now is 41.7 secs Computing kpt #: 345 total cpu time spent up to now is 41.8 secs Computing kpt #: 346 total cpu time spent up to now is 41.9 secs Computing kpt #: 347 total cpu time spent up to now is 42.1 secs Computing kpt #: 348 total cpu time spent up to now is 42.3 secs Computing kpt #: 349 total cpu time spent up to now is 42.4 secs Computing kpt #: 350 total cpu time spent up to now is 42.6 secs Computing kpt #: 351 total cpu time spent up to now is 42.8 secs Computing kpt #: 352 total cpu time spent up to now is 43.0 secs Computing kpt #: 353 total cpu time spent up to now is 43.1 secs Computing kpt #: 354 total cpu time spent up to now is 43.3 secs Computing kpt #: 355 total cpu time spent up to now is 43.6 secs Computing kpt #: 356 total cpu time spent up to now is 43.8 secs Computing kpt #: 357 total cpu time spent up to now is 44.0 secs Computing kpt #: 358 total cpu time spent up to now is 44.2 secs Computing kpt #: 359 total cpu time spent up to now is 44.4 secs Computing kpt #: 360 total cpu time spent up to now is 44.7 secs Computing kpt #: 361 total cpu time spent up to now is 44.9 secs Computing kpt #: 362 total cpu time spent up to now is 45.1 secs Computing kpt #: 363 total cpu time spent up to now is 45.2 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 45.6 secs Computing kpt #: 366 total cpu time spent up to now is 45.8 secs Computing kpt #: 367 total cpu time spent up to now is 46.0 secs Computing kpt #: 368 total cpu time spent up to now is 46.1 secs Computing kpt #: 369 total cpu time spent up to now is 46.6 secs Computing kpt #: 370 total cpu time spent up to now is 46.8 secs Computing kpt #: 371 total cpu time spent up to now is 46.9 secs Computing kpt #: 372 total cpu time spent up to now is 47.0 secs Computing kpt #: 373 total cpu time spent up to now is 47.2 secs Computing kpt #: 374 total cpu time spent up to now is 47.3 secs Computing kpt #: 375 total cpu time spent up to now is 47.4 secs Computing kpt #: 376 total cpu time spent up to now is 47.5 secs Computing kpt #: 377 total cpu time spent up to now is 47.6 secs Computing kpt #: 378 total cpu time spent up to now is 47.7 secs Computing kpt #: 379 total cpu time spent up to now is 47.9 secs Computing kpt #: 380 total cpu time spent up to now is 48.0 secs Computing kpt #: 381 total cpu time spent up to now is 48.1 secs Computing kpt #: 382 total cpu time spent up to now is 48.3 secs Computing kpt #: 383 total cpu time spent up to now is 48.4 secs Computing kpt #: 384 total cpu time spent up to now is 48.5 secs Computing kpt #: 385 total cpu time spent up to now is 48.6 secs Computing kpt #: 386 total cpu time spent up to now is 48.8 secs Computing kpt #: 387 total cpu time spent up to now is 48.9 secs Computing kpt #: 388 total cpu time spent up to now is 49.0 secs Computing kpt #: 389 total cpu time spent up to now is 49.2 secs Computing kpt #: 390 total cpu time spent up to now is 49.4 secs Computing kpt #: 391 total cpu time spent up to now is 49.5 secs Computing kpt #: 392 total cpu time spent up to now is 49.7 secs Computing kpt #: 393 total cpu time spent up to now is 49.8 secs Computing kpt #: 394 total cpu time spent up to now is 49.9 secs Computing kpt #: 395 total cpu time spent up to now is 50.1 secs Computing kpt #: 396 total cpu time spent up to now is 50.2 secs Computing kpt #: 397 total cpu time spent up to now is 50.5 secs Computing kpt #: 398 total cpu time spent up to now is 50.6 secs Computing kpt #: 399 total cpu time spent up to now is 50.8 secs Computing kpt #: 400 total cpu time spent up to now is 51.0 secs Computing kpt #: 401 total cpu time spent up to now is 51.2 secs Computing kpt #: 402 total cpu time spent up to now is 51.4 secs Computing kpt #: 403 total cpu time spent up to now is 51.6 secs Computing kpt #: 404 total cpu time spent up to now is 51.8 secs Computing kpt #: 405 total cpu time spent up to now is 52.0 secs Computing kpt #: 406 total cpu time spent up to now is 52.2 secs Computing kpt #: 407 total cpu time spent up to now is 52.3 secs Computing kpt #: 408 total cpu time spent up to now is 52.5 secs Computing kpt #: 409 total cpu time spent up to now is 52.7 secs Computing kpt #: 410 total cpu time spent up to now is 52.9 secs Computing kpt #: 411 total cpu time spent up to now is 53.0 secs Computing kpt #: 412 total cpu time spent up to now is 53.2 secs Computing kpt #: 413 total cpu time spent up to now is 53.4 secs Computing kpt #: 414 total cpu time spent up to now is 53.6 secs Computing kpt #: 415 total cpu time spent up to now is 53.7 secs Computing kpt #: 416 total cpu time spent up to now is 53.9 secs Computing kpt #: 417 total cpu time spent up to now is 54.1 secs Computing kpt #: 418 total cpu time spent up to now is 54.3 secs Computing kpt #: 419 total cpu time spent up to now is 54.4 secs Computing kpt #: 420 total cpu time spent up to now is 54.6 secs Computing kpt #: 421 total cpu time spent up to now is 54.8 secs Computing kpt #: 422 total cpu time spent up to now is 55.0 secs Computing kpt #: 423 total cpu time spent up to now is 55.1 secs Computing kpt #: 424 total cpu time spent up to now is 55.3 secs Computing kpt #: 425 total cpu time spent up to now is 55.5 secs Computing kpt #: 426 total cpu time spent up to now is 55.7 secs Computing kpt #: 427 total cpu time spent up to now is 55.9 secs Computing kpt #: 428 total cpu time spent up to now is 56.0 secs Computing kpt #: 429 total cpu time spent up to now is 56.2 secs Computing kpt #: 430 total cpu time spent up to now is 56.4 secs Computing kpt #: 431 total cpu time spent up to now is 56.5 secs Computing kpt #: 432 total cpu time spent up to now is 56.7 secs Computing kpt #: 433 total cpu time spent up to now is 56.9 secs Computing kpt #: 434 total cpu time spent up to now is 57.1 secs Computing kpt #: 435 total cpu time spent up to now is 57.3 secs Computing kpt #: 436 total cpu time spent up to now is 57.4 secs Computing kpt #: 437 total cpu time spent up to now is 57.6 secs Computing kpt #: 438 total cpu time spent up to now is 57.8 secs Computing kpt #: 439 total cpu time spent up to now is 58.0 secs Computing kpt #: 440 total cpu time spent up to now is 58.1 secs Computing kpt #: 441 total cpu time spent up to now is 58.3 secs Computing kpt #: 442 total cpu time spent up to now is 58.5 secs Computing kpt #: 443 total cpu time spent up to now is 58.6 secs Computing kpt #: 444 total cpu time spent up to now is 58.8 secs Computing kpt #: 445 total cpu time spent up to now is 59.0 secs Computing kpt #: 446 total cpu time spent up to now is 59.1 secs Computing kpt #: 447 total cpu time spent up to now is 59.2 secs Computing kpt #: 448 total cpu time spent up to now is 59.3 secs Computing kpt #: 449 total cpu time spent up to now is 59.5 secs Computing kpt #: 450 total cpu time spent up to now is 59.6 secs Computing kpt #: 451 total cpu time spent up to now is 59.7 secs Computing kpt #: 452 total cpu time spent up to now is 59.8 secs Computing kpt #: 453 total cpu time spent up to now is 59.9 secs Computing kpt #: 454 total cpu time spent up to now is 60.0 secs Computing kpt #: 455 total cpu time spent up to now is 60.1 secs Computing kpt #: 456 total cpu time spent up to now is 60.2 secs Computing kpt #: 457 total cpu time spent up to now is 60.3 secs Computing kpt #: 458 total cpu time spent up to now is 60.4 secs Computing kpt #: 459 total cpu time spent up to now is 60.5 secs Computing kpt #: 460 total cpu time spent up to now is 60.6 secs Computing kpt #: 461 total cpu time spent up to now is 60.7 secs Computing kpt #: 462 total cpu time spent up to now is 60.8 secs Computing kpt #: 463 total cpu time spent up to now is 60.9 secs Computing kpt #: 464 total cpu time spent up to now is 61.0 secs Computing kpt #: 465 total cpu time spent up to now is 61.1 secs Computing kpt #: 466 total cpu time spent up to now is 61.2 secs Computing kpt #: 467 total cpu time spent up to now is 61.4 secs Computing kpt #: 468 total cpu time spent up to now is 61.5 secs Computing kpt #: 469 total cpu time spent up to now is 61.6 secs Computing kpt #: 470 total cpu time spent up to now is 61.7 secs Computing kpt #: 471 total cpu time spent up to now is 61.8 secs Computing kpt #: 472 total cpu time spent up to now is 61.9 secs Computing kpt #: 473 total cpu time spent up to now is 62.0 secs Computing kpt #: 474 total cpu time spent up to now is 62.1 secs Computing kpt #: 475 total cpu time spent up to now is 62.2 secs Computing kpt #: 476 total cpu time spent up to now is 62.3 secs Computing kpt #: 477 total cpu time spent up to now is 62.4 secs Computing kpt #: 478 total cpu time spent up to now is 62.5 secs Computing kpt #: 479 total cpu time spent up to now is 62.6 secs Computing kpt #: 480 total cpu time spent up to now is 62.7 secs Computing kpt #: 481 total cpu time spent up to now is 62.8 secs Computing kpt #: 482 total cpu time spent up to now is 62.9 secs Computing kpt #: 483 total cpu time spent up to now is 63.0 secs Computing kpt #: 484 total cpu time spent up to now is 63.1 secs Computing kpt #: 485 total cpu time spent up to now is 63.2 secs Computing kpt #: 486 total cpu time spent up to now is 63.3 secs Computing kpt #: 487 total cpu time spent up to now is 63.4 secs Computing kpt #: 488 total cpu time spent up to now is 63.5 secs Computing kpt #: 489 total cpu time spent up to now is 63.6 secs Computing kpt #: 490 total cpu time spent up to now is 63.7 secs Computing kpt #: 491 total cpu time spent up to now is 63.8 secs Computing kpt #: 492 total cpu time spent up to now is 63.9 secs Computing kpt #: 493 total cpu time spent up to now is 63.9 secs Computing kpt #: 494 total cpu time spent up to now is 64.0 secs Computing kpt #: 495 total cpu time spent up to now is 64.1 secs Computing kpt #: 496 total cpu time spent up to now is 64.2 secs Computing kpt #: 497 total cpu time spent up to now is 64.3 secs Computing kpt #: 498 total cpu time spent up to now is 64.4 secs Computing kpt #: 499 total cpu time spent up to now is 64.5 secs Computing kpt #: 500 total cpu time spent up to now is 64.6 secs Computing kpt #: 501 total cpu time spent up to now is 64.7 secs Computing kpt #: 502 total cpu time spent up to now is 64.8 secs Computing kpt #: 503 total cpu time spent up to now is 64.9 secs Computing kpt #: 504 total cpu time spent up to now is 65.0 secs Computing kpt #: 505 total cpu time spent up to now is 65.1 secs Computing kpt #: 506 total cpu time spent up to now is 65.2 secs Computing kpt #: 507 total cpu time spent up to now is 65.3 secs Computing kpt #: 508 total cpu time spent up to now is 65.4 secs Computing kpt #: 509 total cpu time spent up to now is 65.5 secs Computing kpt #: 510 total cpu time spent up to now is 65.6 secs Computing kpt #: 511 total cpu time spent up to now is 65.7 secs Computing kpt #: 512 total cpu time spent up to now is 65.8 secs Computing kpt #: 513 total cpu time spent up to now is 66.0 secs Computing kpt #: 514 total cpu time spent up to now is 66.1 secs Computing kpt #: 515 total cpu time spent up to now is 66.2 secs Computing kpt #: 516 total cpu time spent up to now is 66.3 secs Computing kpt #: 517 total cpu time spent up to now is 66.4 secs Computing kpt #: 518 total cpu time spent up to now is 66.6 secs Computing kpt #: 519 total cpu time spent up to now is 66.7 secs Computing kpt #: 520 total cpu time spent up to now is 66.8 secs Computing kpt #: 521 total cpu time spent up to now is 67.0 secs Computing kpt #: 522 total cpu time spent up to now is 67.1 secs Computing kpt #: 523 total cpu time spent up to now is 67.3 secs Computing kpt #: 524 total cpu time spent up to now is 67.4 secs Computing kpt #: 525 total cpu time spent up to now is 67.6 secs Computing kpt #: 526 total cpu time spent up to now is 67.7 secs Computing kpt #: 527 total cpu time spent up to now is 67.9 secs Computing kpt #: 528 total cpu time spent up to now is 68.0 secs Computing kpt #: 529 total cpu time spent up to now is 68.2 secs Computing kpt #: 530 total cpu time spent up to now is 68.4 secs Computing kpt #: 531 total cpu time spent up to now is 68.5 secs Computing kpt #: 532 total cpu time spent up to now is 68.7 secs Computing kpt #: 533 total cpu time spent up to now is 68.9 secs Computing kpt #: 534 total cpu time spent up to now is 69.1 secs ethr = 5.56E-08, avg # of iterations = 20.5 total cpu time spent up to now is 69.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 999 PWs) bands (ev): 5.6739 5.6739 8.8808 8.8808 9.0070 9.0070 12.0695 12.0695 12.4278 12.4278 13.5198 13.5198 14.0052 14.0052 14.7666 14.7666 15.5464 15.5464 15.7952 15.7952 16.0981 16.0981 17.5431 17.5431 25.4011 25.4011 k = 0.0000 0.0086-0.0000 ( 995 PWs) bands (ev): 5.6758 5.6758 8.8820 8.8820 9.0081 9.0081 12.0691 12.0691 12.4273 12.4273 13.5202 13.5202 14.0044 14.0044 14.7666 14.7666 15.5449 15.5449 15.7905 15.7905 16.0925 16.0925 17.5559 17.5559 25.3996 25.3996 k = 0.0000 0.0172-0.0000 ( 995 PWs) bands (ev): 5.6817 5.6817 8.8856 8.8856 9.0115 9.0115 12.0676 12.0676 12.4258 12.4258 13.5211 13.5211 14.0018 14.0018 14.7663 14.7663 15.5403 15.5403 15.7758 15.7758 16.0770 16.0770 17.5931 17.5931 25.3952 25.3952 k = 0.0000 0.0259-0.0000 ( 991 PWs) bands (ev): 5.6916 5.6916 8.8914 8.8914 9.0171 9.0171 12.0650 12.0650 12.4236 12.4236 13.5225 13.5225 13.9975 13.9975 14.7659 14.7659 15.5324 15.5324 15.7507 15.7507 16.0550 16.0550 17.6524 17.6524 25.3877 25.3877 k = 0.0000 0.0345-0.0000 ( 995 PWs) bands (ev): 5.7053 5.7053 8.8995 8.8995 9.0252 9.0252 12.0611 12.0611 12.4205 12.4205 13.5243 13.5243 13.9915 13.9915 14.7654 14.7654 15.5205 15.5205 15.7148 15.7148 16.0307 16.0307 17.7303 17.7303 25.3766 25.3766 k = 0.0000 0.0431-0.0000 ( 995 PWs) bands (ev): 5.7229 5.7229 8.9096 8.9096 9.0358 9.0358 12.0557 12.0557 12.4171 12.4171 13.5266 13.5266 13.9840 13.9840 14.7647 14.7647 15.5034 15.5034 15.6698 15.6698 16.0072 16.0072 17.8235 17.8235 25.3614 25.3614 k = 0.0000 0.0517-0.0000 ( 995 PWs) bands (ev): 5.7444 5.7444 8.9215 8.9215 9.0491 9.0491 12.0485 12.0485 12.4135 12.4135 13.5291 13.5291 13.9750 13.9750 14.7640 14.7640 15.4782 15.4782 15.6201 15.6201 15.9858 15.9858 17.9291 17.9291 25.3411 25.3411 k = 0.0000 0.0603-0.0000 ( 991 PWs) bands (ev): 5.7696 5.7696 8.9351 8.9351 9.0652 9.0652 12.0393 12.0393 12.4100 12.4100 13.5319 13.5319 13.9647 13.9647 14.7632 14.7632 15.4403 15.4403 15.5731 15.5731 15.9667 15.9667 18.0448 18.0448 25.3147 25.3147 k = 0.0000 0.0690-0.0000 ( 991 PWs) bands (ev): 5.7987 5.7987 8.9500 8.9500 9.0844 9.0844 12.0278 12.0278 12.4071 12.4071 13.5346 13.5346 13.9531 13.9531 14.7623 14.7623 15.3861 15.3861 15.5345 15.5345 15.9492 15.9492 18.1687 18.1687 25.2802 25.2802 k = 0.0000 0.0776-0.0000 ( 995 PWs) bands (ev): 5.8314 5.8314 8.9660 8.9660 9.1069 9.1069 12.0136 12.0136 12.4050 12.4050 13.5371 13.5371 13.9405 13.9405 14.7614 14.7614 15.3186 15.3186 15.5036 15.5036 15.9327 15.9327 18.2993 18.2993 25.2354 25.2354 k = 0.0000 0.0862-0.0000 ( 995 PWs) bands (ev): 5.8678 5.8678 8.9831 8.9831 9.1327 9.1327 11.9965 11.9965 12.4040 12.4040 13.5392 13.5392 13.9271 13.9271 14.7605 14.7605 15.2435 15.2435 15.4766 15.4766 15.9167 15.9167 18.4356 18.4356 25.1773 25.1773 k = 0.0000 0.0948-0.0000 ( 999 PWs) bands (ev): 5.9078 5.9078 9.0011 9.0011 9.1618 9.1618 11.9764 11.9764 12.4044 12.4044 13.5406 13.5406 13.9132 13.9132 14.7596 14.7596 15.1647 15.1647 15.4508 15.4508 15.9007 15.9007 18.5767 18.5767 25.1025 25.1025 k = 0.0000 0.1034-0.0000 ( 1001 PWs) bands (ev): 5.9513 5.9513 9.0199 9.0199 9.1943 9.1943 11.9531 11.9531 12.4064 12.4064 13.5409 13.5409 13.8992 13.8992 14.7583 14.7583 15.0849 15.0849 15.4252 15.4252 15.8846 15.8846 18.7220 18.7220 25.0081 25.0081 k = 0.0000 0.1121-0.0000 ( 1001 PWs) bands (ev): 5.9982 5.9982 9.0395 9.0395 9.2301 9.2301 11.9267 11.9267 12.4099 12.4099 13.5397 13.5397 13.8853 13.8853 14.7564 14.7564 15.0059 15.0059 15.3992 15.3992 15.8682 15.8682 18.8708 18.8708 24.8925 24.8925 k = 0.0000 0.1207-0.0000 ( 1001 PWs) bands (ev): 6.0485 6.0485 9.0599 9.0599 9.2691 9.2691 11.8974 11.8974 12.4151 12.4151 13.5365 13.5365 13.8721 13.8721 14.7527 14.7527 14.9300 14.9300 15.3725 15.3725 15.8513 15.8513 19.0229 19.0229 24.7564 24.7564 k = 0.0000 0.1293-0.0000 ( 997 PWs) bands (ev): 6.1021 6.1021 9.0811 9.0811 9.3111 9.3111 11.8651 11.8651 12.4219 12.4219 13.5310 13.5310 13.8599 13.8599 14.7424 14.7424 14.8624 14.8624 15.3451 15.3451 15.8338 15.8338 19.1778 19.1778 24.6019 24.6019 k = 0.0000 0.1379-0.0000 ( 993 PWs) bands (ev): 6.1588 6.1588 9.1032 9.1032 9.3561 9.3561 11.8302 11.8302 12.4301 12.4301 13.5228 13.5228 13.8490 13.8490 14.7124 14.7124 14.8168 14.8168 15.3171 15.3171 15.8157 15.8157 19.3353 19.3353 24.4322 24.4322 k = 0.0000 0.1466-0.0000 ( 993 PWs) bands (ev): 6.2186 6.2186 9.1262 9.1262 9.4037 9.4037 11.7929 11.7929 12.4397 12.4397 13.5116 13.5116 13.8398 13.8398 14.6564 14.6564 14.8000 14.8000 15.2883 15.2883 15.7970 15.7970 19.4951 19.4951 24.2505 24.2505 k = 0.0000 0.1552-0.0000 ( 993 PWs) bands (ev): 6.2813 6.2813 9.1500 9.1500 9.4539 9.4539 11.7535 11.7535 12.4505 12.4505 13.4973 13.4973 13.8322 13.8322 14.5895 14.5895 14.7972 14.7972 15.2591 15.2591 15.7775 15.7775 19.6569 19.6569 24.0597 24.0597 k = 0.0000 0.1638-0.0000 ( 993 PWs) bands (ev): 6.3468 6.3468 9.1748 9.1748 9.5064 9.5064 11.7122 11.7122 12.4624 12.4624 13.4800 13.4800 13.8262 13.8262 14.5204 14.5204 14.7998 14.7998 15.2294 15.2294 15.7574 15.7574 19.8206 19.8206 23.8622 23.8622 k = 0.0000 0.1724-0.0000 ( 989 PWs) bands (ev): 6.4150 6.4150 9.2005 9.2005 9.5611 9.5611 11.6693 11.6693 12.4752 12.4752 13.4600 13.4600 13.8215 13.8215 14.4520 14.4520 14.8055 14.8055 15.1995 15.1995 15.7367 15.7367 19.9859 19.9859 23.6597 23.6597 k = 0.0000 0.1810-0.0000 ( 987 PWs) bands (ev): 6.4858 6.4858 9.2271 9.2271 9.6178 9.6178 11.6252 11.6252 12.4888 12.4888 13.4376 13.4376 13.8179 13.8179 14.3850 14.3850 14.8136 14.8136 15.1692 15.1692 15.7151 15.7151 20.1527 20.1527 23.4539 23.4539 k = 0.0000 0.1897-0.0000 ( 985 PWs) bands (ev): 6.5589 6.5589 9.2547 9.2547 9.6761 9.6761 11.5802 11.5802 12.5030 12.5030 13.4133 13.4133 13.8149 13.8149 14.3198 14.3198 14.8239 14.8239 15.1389 15.1389 15.6929 15.6929 20.3206 20.3206 23.2459 23.2459 k = 0.0000 0.1983-0.0000 ( 985 PWs) bands (ev): 6.6344 6.6344 9.2831 9.2831 9.7359 9.7359 11.5346 11.5346 12.5175 12.5175 13.3875 13.3875 13.8121 13.8121 14.2566 14.2566 14.8363 14.8363 15.1085 15.1085 15.6701 15.6701 20.4894 20.4894 23.0369 23.0369 k = 0.0000 0.2069-0.0000 ( 985 PWs) bands (ev): 6.7119 6.7119 9.3123 9.3123 9.7967 9.7967 11.4887 11.4887 12.5322 12.5322 13.3608 13.3608 13.8091 13.8091 14.1956 14.1956 14.8510 14.8510 15.0782 15.0782 15.6466 15.6466 20.6588 20.6588 22.8280 22.8280 k = 0.0000 0.2155-0.0000 ( 985 PWs) bands (ev): 6.7913 6.7913 9.3425 9.3425 9.8584 9.8584 11.4430 11.4430 12.5468 12.5468 13.3336 13.3336 13.8057 13.8057 14.1367 14.1367 14.8678 14.8678 15.0479 15.0479 15.6225 15.6225 20.8279 20.8279 22.6202 22.6202 k = 0.0000 0.2241-0.0000 ( 985 PWs) bands (ev): 6.8724 6.8724 9.3734 9.3734 9.9205 9.9205 11.3978 11.3978 12.5610 12.5610 13.3065 13.3065 13.8016 13.8016 14.0800 14.0800 14.8871 14.8871 15.0180 15.0180 15.5978 15.5978 20.9957 20.9957 22.4153 22.4153 k = 0.0000 0.2328-0.0000 ( 989 PWs) bands (ev): 6.9552 6.9552 9.4051 9.4051 9.9825 9.9825 11.3537 11.3537 12.5746 12.5746 13.2800 13.2800 13.7965 13.7965 14.0255 14.0255 14.9086 14.9086 14.9884 14.9884 15.5724 15.5724 21.1592 21.1592 22.2165 22.2165 k = 0.0000 0.2414-0.0000 ( 989 PWs) bands (ev): 7.0393 7.0393 9.4376 9.4376 10.0439 10.0439 11.3111 11.3111 12.5871 12.5871 13.2546 13.2546 13.7903 13.7903 13.9732 13.9732 14.9327 14.9327 14.9592 14.9592 15.5465 15.5465 21.3101 21.3101 22.0323 22.0323 k = 0.0000 0.2500-0.0000 ( 993 PWs) bands (ev): 7.1245 7.1245 9.4709 9.4709 10.1042 10.1042 11.2706 11.2706 12.5981 12.5981 13.2310 13.2310 13.7828 13.7828 13.9231 13.9231 14.9304 14.9304 14.9593 14.9593 15.5201 15.5201 21.4180 21.4180 21.8935 21.8935 k = 0.0000 0.2586-0.0000 ( 989 PWs) bands (ev): 7.2107 7.2107 9.5048 9.5048 10.1624 10.1624 11.2329 11.2329 12.6072 12.6072 13.2097 13.2097 13.7737 13.7737 13.8757 13.8757 14.9022 14.9022 14.9884 14.9884 15.4933 15.4933 21.4018 21.4018 21.8813 21.8813 k = 0.0000 0.2672-0.0000 ( 985 PWs) bands (ev): 7.2976 7.2976 9.5394 9.5394 10.2178 10.2178 11.1989 11.1989 12.6139 12.6139 13.1913 13.1913 13.7626 13.7626 13.8311 13.8311 14.8745 14.8745 15.0201 15.0201 15.4661 15.4661 21.2644 21.2644 21.9931 21.9931 k = 0.0000 0.2759-0.0000 ( 985 PWs) bands (ev): 7.3850 7.3850 9.5746 9.5746 10.2693 10.2693 11.1694 11.1694 12.6176 12.6176 13.1764 13.1764 13.7475 13.7475 13.7911 13.7911 14.8475 14.8475 15.0542 15.0542 15.4386 15.4386 21.0869 21.0869 22.1477 22.1477 k = 0.0000 0.2845-0.0000 ( 983 PWs) bands (ev): 7.4726 7.4726 9.6103 9.6103 10.3156 10.3156 11.1456 11.1456 12.6181 12.6181 13.1654 13.1654 13.7236 13.7236 13.7609 13.7609 14.8212 14.8212 15.0907 15.0907 15.4111 15.4111 20.8987 20.8987 22.3160 22.3160 k = 0.0000 0.2931-0.0000 ( 983 PWs) bands (ev): 7.5601 7.5601 9.6465 9.6465 10.3555 10.3555 11.1286 11.1286 12.6151 12.6151 13.1587 13.1587 13.6901 13.6901 13.7411 13.7411 14.7956 14.7956 15.1294 15.1294 15.3835 15.3835 20.7079 20.7079 22.4900 22.4900 k = 0.0000 0.3017-0.0000 ( 983 PWs) bands (ev): 7.6473 7.6473 9.6830 9.6830 10.3880 10.3880 11.1194 11.1194 12.6085 12.6085 13.1564 13.1564 13.6539 13.6539 13.7250 13.7250 14.7707 14.7707 15.1699 15.1699 15.3566 15.3566 20.5173 20.5173 22.6668 22.6668 k = 0.0000 0.3103-0.0000 ( 983 PWs) bands (ev): 7.7340 7.7340 9.7198 9.7198 10.4121 10.4121 11.1186 11.1186 12.5985 12.5985 13.1583 13.1583 13.6180 13.6180 13.7096 13.7096 14.7467 14.7467 15.2104 15.2104 15.3320 15.3320 20.3283 20.3283 22.8451 22.8451 k = 0.0000 0.3190-0.0000 ( 983 PWs) bands (ev): 7.8197 7.8197 9.7567 9.7567 10.4280 10.4280 11.1262 11.1262 12.5855 12.5855 13.1642 13.1642 13.5835 13.5835 13.6940 13.6940 14.7235 14.7235 15.2433 15.2433 15.3177 15.3177 20.1414 20.1414 23.0244 23.0244 k = 0.0000 0.3276-0.0000 ( 985 PWs) bands (ev): 7.9042 7.9042 9.7935 9.7935 10.4362 10.4362 11.1415 11.1415 12.5700 12.5700 13.1734 13.1734 13.5506 13.5506 13.6781 13.6781 14.7010 14.7010 15.2453 15.2453 15.3368 15.3368 19.9572 19.9572 23.2039 23.2039 k = 0.0000 0.3362-0.0000 ( 989 PWs) bands (ev): 7.9871 7.9871 9.8300 9.8300 10.4382 10.4382 11.1629 11.1629 12.5524 12.5524 13.1855 13.1855 13.5191 13.5191 13.6619 13.6619 14.6795 14.6795 15.2246 15.2246 15.3814 15.3814 19.7760 19.7760 23.3835 23.3835 k = 0.0000 0.3448-0.0000 ( 989 PWs) bands (ev): 8.0682 8.0682 9.8658 9.8658 10.4356 10.4356 11.1889 11.1889 12.5333 12.5333 13.2000 13.2000 13.4895 13.4895 13.6457 13.6457 14.6590 14.6590 15.1986 15.1986 15.4341 15.4341 19.5979 19.5979 23.5627 23.5627 k = 0.0000 0.3534-0.0000 ( 989 PWs) bands (ev): 8.1470 8.1470 9.9004 9.9004 10.4305 10.4305 11.2176 11.2176 12.5133 12.5133 13.2162 13.2162 13.4616 13.4616 13.6296 13.6296 14.6394 14.6394 15.1714 15.1714 15.4911 15.4911 19.4231 19.4231 23.7411 23.7411 k = 0.0000 0.3621-0.0000 ( 991 PWs) bands (ev): 8.2233 8.2233 9.9333 9.9333 10.4247 10.4247 11.2475 11.2475 12.4927 12.4927 13.2336 13.2336 13.4354 13.4354 13.6137 13.6137 14.6207 14.6207 15.1438 15.1438 15.5516 15.5516 19.2518 19.2518 23.9184 23.9184 k = 0.0000 0.3707-0.0000 ( 991 PWs) bands (ev): 8.2967 8.2967 9.9636 9.9636 10.4202 10.4202 11.2771 11.2771 12.4719 12.4719 13.2518 13.2518 13.4111 13.4111 13.5981 13.5981 14.6032 14.6032 15.1165 15.1165 15.6151 15.6151 19.0841 19.0841 24.0940 24.0940 k = 0.0000 0.3793-0.0000 ( 991 PWs) bands (ev): 8.3669 8.3669 9.9905 9.9905 10.4186 10.4186 11.3053 11.3053 12.4513 12.4513 13.2701 13.2701 13.3888 13.3888 13.5832 13.5832 14.5866 14.5866 15.0895 15.0895 15.6816 15.6816 18.9200 18.9200 24.2673 24.2673 k = 0.0000 0.3879-0.0000 ( 999 PWs) bands (ev): 8.4335 8.4335 10.0130 10.0130 10.4213 10.4213 11.3313 11.3313 12.4312 12.4312 13.2876 13.2876 13.3688 13.3688 13.5691 13.5691 14.5710 14.5710 15.0633 15.0633 15.7510 15.7510 18.7596 18.7596 24.4377 24.4377 k = 0.0000 0.3966-0.0000 ( 999 PWs) bands (ev): 8.4962 8.4962 10.0304 10.0304 10.4295 10.4295 11.3544 11.3544 12.4118 12.4118 13.3023 13.3023 13.3530 13.3530 13.5561 13.5561 14.5566 14.5566 15.0378 15.0378 15.8235 15.8235 18.6031 18.6031 24.6041 24.6041 k = 0.0000 0.4052-0.0000 ( 1001 PWs) bands (ev): 8.5548 8.5548 10.0425 10.0425 10.4435 10.4435 11.3742 11.3742 12.3934 12.3934 13.3081 13.3081 13.3470 13.3470 13.5444 13.5444 14.5432 14.5432 15.0132 15.0132 15.8988 15.8988 18.4504 18.4504 24.7655 24.7655 k = 0.0000 0.4138-0.0000 ( 1001 PWs) bands (ev): 8.6090 8.6090 10.0497 10.0497 10.4631 10.4631 11.3903 11.3903 12.3761 12.3761 13.3008 13.3008 13.3545 13.3545 13.5342 13.5342 14.5310 14.5310 14.9900 14.9900 15.9770 15.9770 18.3017 18.3017 24.9205 24.9205 k = 0.0000 0.4224-0.0000 ( 995 PWs) bands (ev): 8.6587 8.6587 10.0526 10.0526 10.4872 10.4872 11.4028 11.4028 12.3600 12.3600 13.2888 13.2888 13.3666 13.3666 13.5259 13.5259 14.5200 14.5200 14.9681 14.9681 16.0582 16.0582 18.1571 18.1571 25.0673 25.0673 k = 0.0000 0.4310-0.0000 ( 995 PWs) bands (ev): 8.7034 8.7034 10.0525 10.0525 10.5144 10.5144 11.4117 11.4117 12.3455 12.3455 13.2767 13.2767 13.3783 13.3783 13.5197 13.5197 14.5101 14.5101 14.9478 14.9478 16.1418 16.1418 18.0165 18.0165 25.2039 25.2039 k = 0.0000 0.4397-0.0000 ( 999 PWs) bands (ev): 8.7432 8.7432 10.0502 10.0502 10.5434 10.5434 11.4172 11.4172 12.3324 12.3324 13.2655 13.2655 13.3882 13.3882 13.5157 13.5157 14.5011 14.5011 14.9293 14.9293 16.2280 16.2280 17.8803 17.8803 25.3283 25.3283 k = 0.0000 0.4483-0.0000 ( 996 PWs) bands (ev): 8.7779 8.7779 10.0468 10.0468 10.5724 10.5724 11.4197 11.4197 12.3210 12.3210 13.2557 13.2557 13.3957 13.3957 13.5140 13.5140 14.4936 14.4936 14.9127 14.9127 16.3163 16.3163 17.7488 17.7488 25.4384 25.4384 k = 0.0000 0.4569-0.0000 ( 996 PWs) bands (ev): 8.8074 8.8074 10.0430 10.0430 10.6002 10.6002 11.4198 11.4198 12.3113 12.3113 13.2472 13.2472 13.4009 13.4009 13.5143 13.5143 14.4871 14.4871 14.8984 14.8984 16.4061 16.4061 17.6224 17.6224 25.5326 25.5326 k = 0.0000 0.4655-0.0000 ( 994 PWs) bands (ev): 8.8316 8.8316 10.0393 10.0393 10.6253 10.6253 11.4183 11.4183 12.3033 12.3033 13.2403 13.2403 13.4041 13.4041 13.5159 13.5159 14.4818 14.4818 14.8863 14.8863 16.4966 16.4966 17.5022 17.5022 25.6099 25.6099 k = 0.0000 0.4741-0.0000 ( 994 PWs) bands (ev): 8.8505 8.8505 10.0360 10.0360 10.6464 10.6464 11.4160 11.4160 12.2971 12.2971 13.2348 13.2348 13.4058 13.4058 13.5182 13.5182 14.4777 14.4777 14.8768 14.8768 16.5854 16.5854 17.3902 17.3902 25.6701 25.6701 k = 0.0000 0.4828-0.0000 ( 994 PWs) bands (ev): 8.8640 8.8640 10.0335 10.0335 10.6625 10.6625 11.4135 11.4135 12.2927 12.2927 13.2309 13.2309 13.4067 13.4067 13.5203 13.5203 14.4747 14.4747 14.8698 14.8698 16.6680 16.6680 17.2912 17.2912 25.7130 25.7130 k = 0.0000 0.4914-0.0000 ( 994 PWs) bands (ev): 8.8721 8.8721 10.0319 10.0319 10.6725 10.6725 11.4117 11.4117 12.2900 12.2900 13.2286 13.2286 13.4070 13.4070 13.5218 13.5218 14.4729 14.4729 14.8657 14.8657 16.7334 16.7334 17.2159 17.2159 25.7387 25.7387 k = 0.0000 0.5000-0.0000 ( 1000 PWs) bands (ev): 8.8748 8.8748 10.0314 10.0314 10.6760 10.6760 11.4110 11.4110 12.2891 12.2891 13.2277 13.2277 13.4071 13.4071 13.5223 13.5223 14.4723 14.4723 14.8641 14.8641 16.7602 16.7602 17.1857 17.1857 25.7473 25.7473 k = 0.0000 0.5000-0.0000 ( 1000 PWs) bands (ev): 8.8748 8.8748 10.0314 10.0314 10.6760 10.6760 11.4110 11.4110 12.2891 12.2891 13.2277 13.2277 13.4071 13.4071 13.5223 13.5223 14.4723 14.4723 14.8641 14.8641 16.7602 16.7602 17.1857 17.1857 25.7473 25.7473 k = 0.0086 0.5000-0.0000 ( 996 PWs) bands (ev): 8.8773 8.8773 10.0312 10.0312 10.6753 10.6753 11.4053 11.4053 12.2921 12.2921 13.2066 13.2066 13.4068 13.4068 13.5477 13.5477 14.4731 14.4731 14.8650 14.8650 16.7605 16.7605 17.1860 17.1860 25.7486 25.7486 k = 0.0172 0.5000-0.0000 ( 996 PWs) bands (ev): 8.8849 8.8849 10.0307 10.0307 10.6734 10.6734 11.3884 11.3884 12.3007 12.3007 13.1531 13.1531 13.4143 13.4143 13.6053 13.6053 14.4753 14.4753 14.8671 14.8671 16.7615 16.7615 17.1868 17.1868 25.7527 25.7527 k = 0.0259 0.5000-0.0000 ( 996 PWs) bands (ev): 8.8975 8.8975 10.0299 10.0299 10.6701 10.6701 11.3613 11.3613 12.3146 12.3146 13.0833 13.0833 13.4331 13.4331 13.6754 13.6754 14.4790 14.4790 14.8706 14.8706 16.7632 16.7632 17.1882 17.1882 25.7595 25.7595 k = 0.0345 0.5000-0.0000 ( 996 PWs) bands (ev): 8.9150 8.9150 10.0287 10.0287 10.6655 10.6655 11.3253 11.3253 12.3330 12.3330 13.0059 13.0059 13.4615 13.4615 13.7501 13.7501 14.4841 14.4841 14.8755 14.8755 16.7655 16.7655 17.1901 17.1901 25.7689 25.7689 k = 0.0431 0.5000-0.0000 ( 998 PWs) bands (ev): 8.9374 8.9374 10.0274 10.0274 10.6592 10.6592 11.2818 11.2818 12.3552 12.3552 12.9249 12.9249 13.4980 13.4980 13.8267 13.8267 14.4907 14.4907 14.8818 14.8818 16.7685 16.7685 17.1925 17.1925 25.7810 25.7810 k = 0.0517 0.5000-0.0000 ( 998 PWs) bands (ev): 8.9646 8.9646 10.0258 10.0258 10.6512 10.6512 11.2325 11.2325 12.3806 12.3806 12.8422 12.8422 13.5414 13.5414 13.9036 13.9036 14.4988 14.4988 14.8895 14.8895 16.7721 16.7721 17.1955 17.1955 25.7955 25.7955 k = 0.0603 0.5000-0.0000 ( 990 PWs) bands (ev): 8.9964 8.9964 10.0241 10.0241 10.6410 10.6410 11.1790 11.1790 12.4083 12.4083 12.7591 12.7591 13.5908 13.5908 13.9802 13.9802 14.5086 14.5086 14.8989 14.8989 16.7765 16.7765 17.1990 17.1990 25.8125 25.8125 k = 0.0690 0.5000-0.0000 ( 990 PWs) bands (ev): 9.0327 9.0327 10.0223 10.0223 10.6283 10.6283 11.1229 11.1229 12.4369 12.4369 12.6772 12.6772 13.6451 13.6451 14.0560 14.0560 14.5198 14.5198 14.9093 14.9093 16.7814 16.7814 17.2030 17.2030 25.8319 25.8319 k = 0.0776 0.5000-0.0000 ( 990 PWs) bands (ev): 9.0731 9.0731 10.0206 10.0206 10.6122 10.6122 11.0660 11.0660 12.4613 12.4613 12.6018 12.6018 13.7034 13.7034 14.1307 14.1307 14.5325 14.5325 14.9212 14.9212 16.7870 16.7870 17.2074 17.2074 25.8534 25.8534 k = 0.0862 0.5000-0.0000 ( 982 PWs) bands (ev): 9.1174 9.1174 10.0191 10.0191 10.5920 10.5920 11.0102 11.0102 12.4545 12.4545 12.5603 12.5603 13.7653 13.7653 14.2038 14.2038 14.5469 14.5469 14.9347 14.9347 16.7934 16.7934 17.2124 17.2124 25.8771 25.8771 k = 0.0948 0.5000-0.0000 ( 990 PWs) bands (ev): 9.1652 9.1652 10.0180 10.0180 10.5662 10.5662 10.9574 10.9574 12.3925 12.3925 12.5767 12.5767 13.8296 13.8296 14.2749 14.2749 14.5630 14.5630 14.9492 14.9492 16.8002 16.8002 17.2177 17.2177 25.9027 25.9027 k = 0.1034 0.5000-0.0000 ( 994 PWs) bands (ev): 9.2159 9.2159 10.0176 10.0176 10.5338 10.5338 10.9098 10.9098 12.3135 12.3135 12.6129 12.6129 13.8959 13.8959 14.3436 14.3436 14.5816 14.5816 14.9650 14.9650 16.8077 16.8077 17.2235 17.2235 25.9301 25.9301 k = 0.1121 0.5000-0.0000 ( 994 PWs) bands (ev): 9.2689 9.2689 10.0184 10.0184 10.4937 10.4937 10.8689 10.8689 12.2315 12.2315 12.6555 12.6555 13.9638 13.9638 14.4090 14.4090 14.6033 14.6033 14.9822 14.9822 16.8159 16.8159 17.2297 17.2297 25.9592 25.9592 k = 0.1207 0.5000-0.0000 ( 994 PWs) bands (ev): 9.3232 9.3232 10.0206 10.0206 10.4458 10.4458 10.8358 10.8358 12.1490 12.1490 12.7018 12.7018 14.0327 14.0327 14.4696 14.4696 14.6293 14.6293 15.0008 15.0008 16.8246 16.8246 17.2362 17.2362 25.9898 25.9898 k = 0.1293 0.5000-0.0000 ( 998 PWs) bands (ev): 9.3777 9.3777 10.0251 10.0251 10.3909 10.3909 10.8103 10.8103 12.0670 12.0670 12.7513 12.7513 14.1020 14.1020 14.5233 14.5233 14.6616 14.6616 15.0206 15.0206 16.8340 16.8340 17.2431 17.2431 26.0217 26.0217 k = 0.1379 0.5000-0.0000 ( 998 PWs) bands (ev): 9.4308 9.4308 10.0327 10.0327 10.3305 10.3305 10.7918 10.7918 11.9859 11.9859 12.8036 12.8036 14.1716 14.1716 14.5684 14.5684 14.7020 14.7020 15.0417 15.0417 16.8439 16.8439 17.2502 17.2502 26.0548 26.0548 k = 0.1466 0.5000-0.0000 ( 994 PWs) bands (ev): 9.4807 9.4807 10.0442 10.0442 10.2664 10.2664 10.7797 10.7797 11.9063 11.9063 12.8588 12.8588 14.2412 14.2412 14.6052 14.6052 14.7500 14.7500 15.0642 15.0642 16.8544 16.8544 17.2576 17.2576 26.0889 26.0889 k = 0.1552 0.5000-0.0000 ( 990 PWs) bands (ev): 9.5251 9.5251 10.0605 10.0605 10.2003 10.2003 10.7735 10.7735 11.8284 11.8284 12.9166 12.9166 14.3102 14.3102 14.6362 14.6362 14.8028 14.8028 15.0880 15.0880 16.8654 16.8654 17.2653 17.2653 26.1238 26.1238 k = 0.1638 0.5000-0.0000 ( 990 PWs) bands (ev): 9.5618 9.5618 10.0813 10.0813 10.1345 10.1345 10.7733 10.7733 11.7528 11.7528 12.9770 12.9770 14.3784 14.3784 14.6641 14.6641 14.8580 14.8580 15.1128 15.1128 16.8769 16.8769 17.2731 17.2731 26.1594 26.1594 k = 0.1724 0.5000-0.0000 ( 986 PWs) bands (ev): 9.5888 9.5888 10.0636 10.0636 10.1133 10.1133 10.7794 10.7794 11.6803 11.6803 13.0399 13.0399 14.4456 14.4456 14.6905 14.6905 14.9137 14.9137 15.1389 15.1389 16.8889 16.8889 17.2811 17.2811 26.1953 26.1953 k = 0.1810 0.5000-0.0000 ( 982 PWs) bands (ev): 9.6045 9.6045 10.0012 10.0012 10.1432 10.1432 10.7924 10.7924 11.6117 11.6117 13.1053 13.1053 14.5115 14.5115 14.7164 14.7164 14.9690 14.9690 15.1661 15.1661 16.9012 16.9012 17.2892 17.2892 26.2314 26.2314 k = 0.1897 0.5000-0.0000 ( 982 PWs) bands (ev): 9.6079 9.6079 9.9421 9.9421 10.1758 10.1758 10.8123 10.8123 11.5486 11.5486 13.1730 13.1730 14.5757 14.5757 14.7422 14.7422 15.0233 15.0233 15.1944 15.1944 16.9139 16.9139 17.2974 17.2974 26.2672 26.2672 k = 0.1983 0.5000-0.0000 ( 982 PWs) bands (ev): 9.5978 9.5978 9.8897 9.8897 10.2071 10.2071 10.8382 10.8382 11.4937 11.4937 13.2432 13.2432 14.6378 14.6378 14.7686 14.7686 15.0763 15.0763 15.2239 15.2239 16.9268 16.9268 17.3056 17.3056 26.3022 26.3022 k = 0.2069 0.5000-0.0000 ( 982 PWs) bands (ev): 9.5736 9.5736 9.8465 9.8465 10.2346 10.2346 10.8671 10.8671 11.4512 11.4512 13.3156 13.3156 14.6969 14.6969 14.7964 14.7964 15.1277 15.1277 15.2545 15.2545 16.9398 16.9398 17.3138 17.3138 26.3357 26.3357 k = 0.2155 0.5000-0.0000 ( 982 PWs) bands (ev): 9.5361 9.5361 9.8131 9.8131 10.2566 10.2566 10.8924 10.8924 11.4278 11.4278 13.3902 13.3902 14.7514 14.7514 14.8271 14.8271 15.1773 15.1773 15.2862 15.2862 16.9530 16.9530 17.3219 17.3219 26.3660 26.3660 k = 0.2241 0.5000-0.0000 ( 984 PWs) bands (ev): 9.4881 9.4881 9.7877 9.7877 10.2727 10.2727 10.9055 10.9055 11.4316 11.4316 13.4668 13.4668 14.7984 14.7984 14.8636 14.8636 15.2251 15.2251 15.3191 15.3191 16.9661 16.9661 17.3299 17.3299 26.3900 26.3900 k = 0.2328 0.5000-0.0000 ( 984 PWs) bands (ev): 9.4331 9.4331 9.7678 9.7678 10.2834 10.2834 10.9001 10.9001 11.4676 11.4676 13.5455 13.5455 14.8362 14.8362 14.9074 14.9074 15.2710 15.2710 15.3531 15.3531 16.9791 16.9791 17.3377 17.3377 26.4000 26.4000 k = 0.2414 0.5000-0.0000 ( 984 PWs) bands (ev): 9.3743 9.3743 9.7511 9.7511 10.2893 10.2893 10.8768 10.8768 11.5338 11.5338 13.6260 13.6260 14.8675 14.8675 14.9559 14.9559 15.3148 15.3148 15.3883 15.3883 16.9918 16.9918 17.3454 17.3454 26.3805 26.3805 k = 0.2500 0.5000-0.0000 ( 984 PWs) bands (ev): 9.3134 9.3134 9.7362 9.7362 10.2914 10.2914 10.8407 10.8407 11.6238 11.6238 13.7083 13.7083 14.8954 14.8954 15.0055 15.0055 15.3566 15.3566 15.4243 15.4243 17.0041 17.0041 17.3528 17.3528 26.3161 26.3161 k = 0.2586 0.5000-0.0000 ( 978 PWs) bands (ev): 9.2520 9.2520 9.7222 9.7222 10.2905 10.2905 10.7972 10.7972 11.7310 11.7310 13.7923 13.7923 14.9220 14.9220 15.0546 15.0546 15.3968 15.3968 15.4609 15.4609 17.0157 17.0157 17.3600 17.3600 26.2140 26.2140 k = 0.2672 0.5000-0.0000 ( 982 PWs) bands (ev): 9.1906 9.1906 9.7086 9.7086 10.2871 10.2871 10.7497 10.7497 11.8508 11.8508 13.8777 13.8777 14.9473 14.9473 15.1023 15.1023 15.4354 15.4354 15.4979 15.4979 17.0266 17.0266 17.3668 17.3668 26.0907 26.0907 k = 0.2759 0.5000-0.0000 ( 982 PWs) bands (ev): 9.1300 9.1300 9.6951 9.6951 10.2819 10.2819 10.7007 10.7007 11.9802 11.9802 13.9645 13.9645 14.9721 14.9721 15.1484 15.1484 15.4728 15.4728 15.5348 15.5348 17.0364 17.0364 17.3734 17.3734 25.9559 25.9559 k = 0.2845 0.5000-0.0000 ( 974 PWs) bands (ev): 9.0705 9.0705 9.6817 9.6817 10.2751 10.2751 10.6516 10.6516 12.1171 12.1171 14.0527 14.0527 14.9965 14.9965 15.1926 15.1926 15.5093 15.5093 15.5714 15.5714 17.0451 17.0451 17.3795 17.3795 25.8142 25.8142 k = 0.2931 0.5000-0.0000 ( 978 PWs) bands (ev): 9.0123 9.0123 9.6681 9.6681 10.2669 10.2669 10.6031 10.6031 12.2600 12.2600 14.1417 14.1417 15.0201 15.0201 15.2347 15.2347 15.5449 15.5449 15.6072 15.6072 17.0522 17.0522 17.3853 17.3853 25.6679 25.6679 k = 0.3017 0.5000-0.0000 ( 974 PWs) bands (ev): 8.9557 8.9557 9.6546 9.6546 10.2577 10.2577 10.5562 10.5562 12.4077 12.4077 14.2317 14.2317 15.0435 15.0435 15.2750 15.2750 15.5799 15.5799 15.6421 15.6421 17.0576 17.0576 17.3906 17.3906 25.5186 25.5186 k = 0.3103 0.5000-0.0000 ( 974 PWs) bands (ev): 8.9009 8.9009 9.6409 9.6409 10.2475 10.2475 10.5113 10.5113 12.5593 12.5593 14.3222 14.3222 15.0662 15.0662 15.3132 15.3132 15.6142 15.6142 15.6762 15.6762 17.0609 17.0609 17.3955 17.3955 25.3676 25.3676 k = 0.3190 0.5000-0.0000 ( 972 PWs) bands (ev): 8.8479 8.8479 9.6271 9.6271 10.2363 10.2363 10.4688 10.4688 12.7142 12.7142 14.4131 14.4131 15.0885 15.0885 15.3494 15.3494 15.6479 15.6479 15.7092 15.7092 17.0619 17.0619 17.3999 17.3999 25.2157 25.2157 k = 0.3276 0.5000-0.0000 ( 972 PWs) bands (ev): 8.7968 8.7968 9.6133 9.6133 10.2240 10.2240 10.4291 10.4291 12.8717 12.8717 14.5042 14.5042 15.1101 15.1101 15.3837 15.3837 15.6808 15.6808 15.7410 15.7410 17.0604 17.0604 17.4038 17.4038 25.0637 25.0637 k = 0.3362 0.5000-0.0000 ( 968 PWs) bands (ev): 8.7479 8.7479 9.5994 9.5994 10.2105 10.2105 10.3927 10.3927 13.0311 13.0311 14.5954 14.5954 15.1311 15.1311 15.4161 15.4161 15.7130 15.7130 15.7717 15.7717 17.0561 17.0561 17.4071 17.4071 24.9124 24.9124 k = 0.3448 0.5000-0.0000 ( 968 PWs) bands (ev): 8.7010 8.7010 9.5856 9.5856 10.1956 10.1956 10.3598 10.3598 13.1919 13.1919 14.6861 14.6861 15.1514 15.1514 15.4466 15.4466 15.7444 15.7444 15.8012 15.8012 17.0487 17.0487 17.4096 17.4096 24.7625 24.7625 k = 0.3534 0.5000-0.0000 ( 962 PWs) bands (ev): 8.6564 8.6564 9.5719 9.5719 10.1792 10.1792 10.3309 10.3309 13.3535 13.3535 14.7762 14.7762 15.1710 15.1710 15.4754 15.4754 15.7749 15.7749 15.8296 15.8296 17.0381 17.0381 17.4114 17.4114 24.6146 24.6146 k = 0.3621 0.5000-0.0000 ( 962 PWs) bands (ev): 8.6141 8.6141 9.5582 9.5582 10.1613 10.1613 10.3060 10.3060 13.5152 13.5152 14.8652 14.8652 15.1897 15.1897 15.5025 15.5025 15.8043 15.8043 15.8568 15.8568 17.0239 17.0239 17.4124 17.4124 24.4696 24.4696 k = 0.3707 0.5000-0.0000 ( 958 PWs) bands (ev): 8.5741 8.5741 9.5448 9.5448 10.1422 10.1422 10.2849 10.2849 13.6766 13.6766 14.9527 14.9527 15.2077 15.2077 15.5281 15.5281 15.8327 15.8327 15.8828 15.8828 17.0060 17.0060 17.4123 17.4123 24.3279 24.3279 k = 0.3793 0.5000-0.0000 ( 958 PWs) bands (ev): 8.5365 8.5365 9.5316 9.5316 10.1224 10.1224 10.2671 10.2671 13.8370 13.8370 15.0384 15.0384 15.2249 15.2249 15.5522 15.5522 15.8599 15.8599 15.9078 15.9078 16.9842 16.9842 17.4112 17.4112 24.1904 24.1904 k = 0.3879 0.5000-0.0000 ( 958 PWs) bands (ev): 8.5012 8.5012 9.5187 9.5187 10.1024 10.1024 10.2522 10.2522 13.9955 13.9955 15.1215 15.1215 15.2413 15.2413 15.5751 15.5751 15.8857 15.8857 15.9316 15.9316 16.9584 16.9584 17.4088 17.4088 24.0577 24.0577 k = 0.3966 0.5000-0.0000 ( 958 PWs) bands (ev): 8.4685 8.4685 9.5063 9.5063 10.0828 10.0828 10.2396 10.2396 14.1516 14.1516 15.2007 15.2007 15.2580 15.2580 15.5968 15.5968 15.9102 15.9102 15.9545 15.9545 16.9284 16.9284 17.4053 17.4053 23.9305 23.9305 k = 0.4052 0.5000-0.0000 ( 958 PWs) bands (ev): 8.4382 8.4382 9.4945 9.4945 10.0641 10.0641 10.2289 10.2289 14.3042 14.3042 15.2607 15.2607 15.2896 15.2896 15.6178 15.6178 15.9333 15.9333 15.9764 15.9764 16.8941 16.8941 17.4004 17.4004 23.8096 23.8096 k = 0.4138 0.5000-0.0000 ( 954 PWs) bands (ev): 8.4106 8.4106 9.4832 9.4832 10.0465 10.0465 10.2197 10.2197 14.4524 14.4524 15.2795 15.2795 15.3575 15.3575 15.6381 15.6381 15.9548 15.9548 15.9977 15.9977 16.8556 16.8556 17.3944 17.3944 23.6958 23.6958 k = 0.4224 0.5000-0.0000 ( 954 PWs) bands (ev): 8.3854 8.3854 9.4727 9.4727 10.0304 10.0304 10.2118 10.2118 14.5950 14.5950 15.2923 15.2923 15.4259 15.4259 15.6581 15.6581 15.9748 15.9748 16.0182 16.0182 16.8127 16.8127 17.3872 17.3872 23.5897 23.5897 k = 0.4310 0.5000-0.0000 ( 950 PWs) bands (ev): 8.3628 8.3628 9.4630 9.4630 10.0158 10.0158 10.2049 10.2049 14.7305 14.7305 15.3033 15.3033 15.4899 15.4899 15.6781 15.6781 15.9931 15.9931 16.0384 16.0384 16.7656 16.7656 17.3790 17.3790 23.4922 23.4922 k = 0.4397 0.5000-0.0000 ( 950 PWs) bands (ev): 8.3428 8.3428 9.4542 9.4542 10.0029 10.0029 10.1991 10.1991 14.8572 14.8572 15.3130 15.3130 15.5488 15.5488 15.6984 15.6984 16.0098 16.0098 16.0582 16.0582 16.7145 16.7145 17.3702 17.3702 23.4040 23.4040 k = 0.4483 0.5000-0.0000 ( 950 PWs) bands (ev): 8.3255 8.3255 9.4464 9.4464 9.9917 9.9917 10.1941 10.1941 14.9728 14.9728 15.3214 15.3214 15.6025 15.6025 15.7189 15.7189 16.0248 16.0248 16.0780 16.0780 16.6598 16.6598 17.3610 17.3610 23.3258 23.3258 k = 0.4569 0.5000-0.0000 ( 946 PWs) bands (ev): 8.3108 8.3108 9.4396 9.4396 9.9822 9.9822 10.1900 10.1900 15.0749 15.0749 15.3286 15.3286 15.6513 15.6513 15.7394 15.7394 16.0382 16.0382 16.0981 16.0981 16.6021 16.6021 17.3519 17.3519 23.2583 23.2583 k = 0.4655 0.5000-0.0000 ( 946 PWs) bands (ev): 8.2988 8.2988 9.4340 9.4340 9.9744 9.9744 10.1866 10.1866 15.1607 15.1607 15.3345 15.3345 15.6956 15.6956 15.7590 15.7590 16.0500 16.0500 16.1188 16.1188 16.5427 16.5427 17.3434 17.3434 23.2022 23.2022 k = 0.4741 0.5000-0.0000 ( 952 PWs) bands (ev): 8.2893 8.2893 9.4296 9.4296 9.9684 9.9684 10.1840 10.1840 15.2278 15.2278 15.3393 15.3393 15.7343 15.7343 15.7769 15.7769 16.0600 16.0600 16.1407 16.1407 16.4836 16.4836 17.3361 17.3361 23.1579 23.1579 k = 0.4828 0.5000-0.0000 ( 948 PWs) bands (ev): 8.2826 8.2826 9.4264 9.4264 9.9641 9.9641 10.1822 10.1822 15.2752 15.2752 15.3431 15.3431 15.7647 15.7647 15.7931 15.7931 16.0680 16.0680 16.1640 16.1640 16.4285 16.4285 17.3304 17.3304 23.1260 23.1260 k = 0.4914 0.5000-0.0000 ( 944 PWs) bands (ev): 8.2786 8.2786 9.4245 9.4245 9.9615 9.9615 10.1811 10.1811 15.3028 15.3028 15.3457 15.3457 15.7820 15.7820 15.8071 15.8071 16.0732 16.0732 16.1858 16.1858 16.3847 16.3847 17.3268 17.3268 23.1067 23.1067 k = 0.5000 0.5000-0.0000 ( 944 PWs) bands (ev): 8.2773 8.2773 9.4238 9.4238 9.9607 9.9607 10.1808 10.1808 15.3117 15.3117 15.3469 15.3469 15.7870 15.7870 15.8130 15.8130 16.0751 16.0751 16.1961 16.1961 16.3665 16.3665 17.3256 17.3256 23.1002 23.1002 k = 0.5000 0.5000-0.0000 ( 944 PWs) bands (ev): 8.2773 8.2773 9.4238 9.4238 9.9607 9.9607 10.1808 10.1808 15.3117 15.3117 15.3469 15.3469 15.7870 15.7870 15.8130 15.8130 16.0751 16.0751 16.1961 16.1961 16.3665 16.3665 17.3256 17.3256 23.1002 23.1002 k = 0.4939 0.4939-0.0000 ( 944 PWs) bands (ev): 8.2786 8.2786 9.4245 9.4245 9.9615 9.9615 10.1811 10.1811 15.3029 15.3029 15.3457 15.3457 15.7816 15.7816 15.8075 15.8075 16.0733 16.0733 16.1860 16.1860 16.3842 16.3842 17.3270 17.3270 23.1067 23.1067 k = 0.4878 0.4878-0.0000 ( 944 PWs) bands (ev): 8.2826 8.2826 9.4264 9.4264 9.9641 9.9641 10.1822 10.1822 15.2757 15.2757 15.3424 15.3424 15.7616 15.7616 15.7980 15.7980 16.0684 16.0684 16.1661 16.1661 16.4223 16.4223 17.3328 17.3328 23.1257 23.1257 k = 0.4817 0.4817-0.0000 ( 954 PWs) bands (ev): 8.2893 8.2893 9.4296 9.4296 9.9684 9.9684 10.1840 10.1840 15.2292 15.2292 15.3371 15.3371 15.7289 15.7289 15.7891 15.7891 16.0617 16.0617 16.1465 16.1465 16.4588 16.4588 17.3479 17.3479 23.1564 23.1564 k = 0.4756 0.4756-0.0000 ( 954 PWs) bands (ev): 8.2987 8.2987 9.4341 9.4341 9.9744 9.9744 10.1865 10.1865 15.1635 15.1635 15.3299 15.3299 15.6932 15.6932 15.7796 15.7796 16.0540 16.0540 16.1291 16.1291 16.4787 16.4787 17.3786 17.3786 23.1975 23.1975 k = 0.4695 0.4695-0.0000 ( 952 PWs) bands (ev): 8.3107 8.3107 9.4399 9.4399 9.9821 9.9821 10.1897 10.1897 15.0805 15.0805 15.3204 15.3204 15.6597 15.6597 15.7681 15.7681 16.0452 16.0452 16.1131 16.1131 16.4732 16.4732 17.4298 17.4298 23.2472 23.2472 k = 0.4634 0.4634-0.0000 ( 958 PWs) bands (ev): 8.3252 8.3252 9.4468 9.4468 9.9915 9.9915 10.1935 10.1935 14.9833 14.9833 15.3085 15.3085 15.6296 15.6296 15.7543 15.7543 16.0342 16.0342 16.0981 16.0981 16.4397 16.4397 17.5026 17.5026 23.3033 23.3033 k = 0.4573 0.4573-0.0000 ( 958 PWs) bands (ev): 8.3422 8.3422 9.4550 9.4550 10.0027 10.0027 10.1981 10.1981 14.8755 14.8755 15.2941 15.2941 15.6025 15.6025 15.7382 15.7382 16.0202 16.0202 16.0845 16.0845 16.3808 16.3808 17.5946 17.5946 23.3637 23.3637 k = 0.4512 0.4512-0.0000 ( 958 PWs) bands (ev): 8.3618 8.3618 9.4644 9.4644 10.0155 10.0155 10.2032 10.2032 14.7599 14.7599 15.2767 15.2767 15.5775 15.5775 15.7196 15.7196 16.0021 16.0021 16.0721 16.0721 16.3017 16.3017 17.7018 17.7018 23.4261 23.4261 k = 0.4451 0.4451-0.0000 ( 958 PWs) bands (ev): 8.3837 8.3837 9.4748 9.4748 10.0300 10.0300 10.2089 10.2089 14.6389 14.6389 15.2559 15.2559 15.5536 15.5536 15.6984 15.6984 15.9800 15.9800 16.0593 16.0593 16.2092 16.2092 17.8201 17.8201 23.4884 23.4884 k = 0.4390 0.4390-0.0000 ( 958 PWs) bands (ev): 8.4080 8.4080 9.4864 9.4864 10.0462 10.0462 10.2152 10.2152 14.5141 14.5141 15.2312 15.2312 15.5300 15.5300 15.6744 15.6744 15.9537 15.9537 16.0361 16.0361 16.1180 16.1180 17.9467 17.9467 23.5488 23.5488 k = 0.4329 0.4329-0.0000 ( 958 PWs) bands (ev): 8.4344 8.4344 9.4990 9.4990 10.0641 10.0641 10.2220 10.2220 14.3866 14.3866 15.2016 15.2016 15.5062 15.5062 15.6468 15.6468 15.9214 15.9214 15.9649 15.9649 16.0724 16.0724 18.0794 18.0794 23.6058 23.6058 k = 0.4268 0.4268-0.0000 ( 958 PWs) bands (ev): 8.4630 8.4630 9.5125 9.5125 10.0836 10.0836 10.2293 10.2293 14.2574 14.2574 15.1658 15.1658 15.4816 15.4816 15.6143 15.6143 15.8471 15.8471 15.9013 15.9013 16.0589 16.0589 18.2166 18.2166 23.6583 23.6583 k = 0.4207 0.4207-0.0000 ( 958 PWs) bands (ev): 8.4935 8.4935 9.5269 9.5269 10.1048 10.1048 10.2371 10.2371 14.1270 14.1270 15.1216 15.1216 15.4554 15.4554 15.5728 15.5728 15.7450 15.7450 15.8657 15.8657 16.0514 16.0514 18.3574 18.3574 23.7055 23.7055 k = 0.4146 0.4146-0.0000 ( 958 PWs) bands (ev): 8.5258 8.5258 9.5421 9.5421 10.1276 10.1276 10.2453 10.2453 13.9959 13.9959 15.0658 15.0658 15.4261 15.4261 15.5162 15.5162 15.6598 15.6598 15.8307 15.8307 16.0458 16.0458 18.5008 18.5008 23.7471 23.7471 k = 0.4085 0.4085-0.0000 ( 962 PWs) bands (ev): 8.5597 8.5597 9.5579 9.5579 10.1518 10.1518 10.2540 10.2540 13.8645 13.8645 14.9945 14.9945 15.3880 15.3880 15.4499 15.4499 15.5993 15.5993 15.7950 15.7950 16.0409 16.0409 18.6465 18.6465 23.7831 23.7831 k = 0.4024 0.4024-0.0000 ( 964 PWs) bands (ev): 8.5950 8.5950 9.5743 9.5743 10.1777 10.1777 10.2632 10.2632 13.7330 13.7330 14.9046 14.9046 15.3311 15.3311 15.3989 15.3989 15.5539 15.5539 15.7588 15.7588 16.0365 16.0365 18.7939 18.7939 23.8137 23.8137 k = 0.3963 0.3963-0.0000 ( 966 PWs) bands (ev): 8.6315 8.6315 9.5912 9.5912 10.2050 10.2050 10.2730 10.2730 13.6018 13.6018 14.7961 14.7961 15.2667 15.2667 15.3620 15.3620 15.5141 15.5141 15.7225 15.7225 16.0324 16.0324 18.9427 18.9427 23.8392 23.8392 k = 0.3902 0.3902-0.0000 ( 964 PWs) bands (ev): 8.6689 8.6689 9.6085 9.6085 10.2336 10.2336 10.2836 10.2836 13.4710 13.4710 14.6726 14.6726 15.2079 15.2079 15.3282 15.3282 15.4759 15.4759 15.6867 15.6867 16.0285 16.0285 19.0927 19.0927 23.8602 23.8602 k = 0.3841 0.3841-0.0000 ( 964 PWs) bands (ev): 8.7068 8.7068 9.6259 9.6259 10.2629 10.2629 10.2956 10.2956 13.3409 13.3409 14.5390 14.5390 15.1555 15.1555 15.2942 15.2942 15.4374 15.4374 15.6516 15.6516 16.0249 16.0249 19.2437 19.2437 23.8771 23.8771 k = 0.3780 0.3780-0.0000 ( 970 PWs) bands (ev): 8.7449 8.7449 9.6433 9.6433 10.2904 10.2904 10.3115 10.3115 13.2115 13.2115 14.3993 14.3993 15.1079 15.1079 15.2589 15.2589 15.3980 15.3980 15.6176 15.6176 16.0213 16.0213 19.3956 19.3956 23.8905 23.8905 k = 0.3720 0.3720-0.0000 ( 974 PWs) bands (ev): 8.7827 8.7827 9.6607 9.6607 10.3102 10.3102 10.3372 10.3372 13.0831 13.0831 14.2569 14.2569 15.0636 15.0636 15.2223 15.2223 15.3572 15.3572 15.5851 15.5851 16.0179 16.0179 19.5481 19.5481 23.9009 23.9009 k = 0.3659 0.3659-0.0000 ( 974 PWs) bands (ev): 8.8195 8.8195 9.6778 9.6778 10.3254 10.3254 10.3699 10.3699 12.9559 12.9559 14.1137 14.1137 15.0218 15.0218 15.1843 15.1843 15.3150 15.3150 15.5542 15.5542 16.0146 16.0146 19.7012 19.7012 23.9089 23.9089 k = 0.3598 0.3598-0.0000 ( 978 PWs) bands (ev): 8.8549 8.8549 9.6947 9.6947 10.3403 10.3403 10.4054 10.4054 12.8300 12.8300 13.9715 13.9715 14.9816 14.9816 15.1449 15.1449 15.2712 15.2712 15.5249 15.5249 16.0115 16.0115 19.8548 19.8548 23.9148 23.9148 k = 0.3537 0.3537-0.0000 ( 978 PWs) bands (ev): 8.8880 8.8880 9.7113 9.7113 10.3561 10.3561 10.4424 10.4424 12.7057 12.7057 13.8315 13.8315 14.9433 14.9433 15.1043 15.1043 15.2262 15.2262 15.4971 15.4971 16.0084 16.0084 20.0088 20.0088 23.9192 23.9192 k = 0.3476 0.3476-0.0000 ( 982 PWs) bands (ev): 8.9179 8.9179 9.7276 9.7276 10.3734 10.3734 10.4807 10.4807 12.5832 12.5832 13.6947 13.6947 14.9065 14.9065 15.0624 15.0624 15.1800 15.1800 15.4707 15.4707 16.0054 16.0054 20.1631 20.1631 23.9223 23.9223 k = 0.3415 0.3415-0.0000 ( 978 PWs) bands (ev): 8.9438 8.9438 9.7439 9.7439 10.3924 10.3924 10.5201 10.5201 12.4627 12.4627 13.5618 13.5618 14.8714 14.8714 15.0196 15.0196 15.1331 15.1331 15.4455 15.4455 16.0025 16.0025 20.3176 20.3176 23.9246 23.9246 k = 0.3354 0.3354-0.0000 ( 988 PWs) bands (ev): 8.9643 8.9643 9.7603 9.7603 10.4133 10.4133 10.5602 10.5602 12.3445 12.3445 13.4337 13.4337 14.8376 14.8376 14.9757 14.9757 15.0854 15.0854 15.4212 15.4212 15.9996 15.9996 20.4723 20.4723 23.9263 23.9263 k = 0.3293 0.3293-0.0000 ( 988 PWs) bands (ev): 8.9786 8.9786 9.7772 9.7772 10.4364 10.4364 10.6009 10.6009 12.2290 12.2290 13.3110 13.3110 14.8058 14.8058 14.9312 14.9312 15.0377 15.0377 15.3978 15.3978 15.9969 15.9969 20.6271 20.6271 23.9277 23.9277 k = 0.3232 0.3232-0.0000 ( 984 PWs) bands (ev): 8.9855 8.9855 9.7949 9.7949 10.4619 10.4619 10.6420 10.6420 12.1166 12.1166 13.1942 13.1942 14.7760 14.7760 14.8861 14.8861 14.9899 14.9899 15.3751 15.3751 15.9942 15.9942 20.7818 20.7818 23.9290 23.9290 k = 0.3171 0.3171-0.0000 ( 984 PWs) bands (ev): 8.9839 8.9839 9.8137 9.8137 10.4898 10.4898 10.6829 10.6829 12.0075 12.0075 13.0840 13.0840 14.7482 14.7482 14.8404 14.8404 14.9423 14.9423 15.3530 15.3530 15.9916 15.9916 20.9365 20.9365 23.9303 23.9303 k = 0.3110 0.3110-0.0000 ( 988 PWs) bands (ev): 8.9733 8.9733 9.8337 9.8337 10.5201 10.5201 10.7231 10.7231 11.9023 11.9023 12.9810 12.9810 14.7227 14.7227 14.7942 14.7942 14.8950 14.8950 15.3313 15.3313 15.9890 15.9890 21.0910 21.0910 23.9318 23.9318 k = 0.3049 0.3049-0.0000 ( 988 PWs) bands (ev): 8.9532 8.9532 9.8548 9.8548 10.5527 10.5527 10.7621 10.7621 11.8018 11.8018 12.8856 12.8856 14.6995 14.6995 14.7480 14.7480 14.8483 14.8483 15.3101 15.3101 15.9865 15.9865 21.2452 21.2452 23.9334 23.9334 k = 0.2988 0.2988-0.0000 ( 988 PWs) bands (ev): 8.9233 8.9233 9.8768 9.8768 10.5874 10.5874 10.7987 10.7987 11.7069 11.7069 12.7986 12.7986 14.6788 14.6788 14.7019 14.7019 14.8022 14.8022 15.2892 15.2892 15.9840 15.9840 21.3989 21.3989 23.9350 23.9350 k = 0.2927 0.2927-0.0000 ( 988 PWs) bands (ev): 8.8840 8.8840 9.8991 9.8991 10.6239 10.6239 10.8317 10.8317 11.6189 11.6189 12.7203 12.7203 14.6540 14.6540 14.6625 14.6625 14.7570 14.7570 15.2686 15.2686 15.9816 15.9816 21.5520 21.5520 23.9361 23.9361 k = 0.2866 0.2866-0.0000 ( 984 PWs) bands (ev): 8.8357 8.8357 9.9211 9.9211 10.6618 10.6618 10.8591 10.8591 11.5398 11.5398 12.6514 12.6514 14.6094 14.6094 14.6459 14.6459 14.7129 14.7129 15.2483 15.2483 15.9793 15.9793 21.7043 21.7043 23.9356 23.9356 k = 0.2805 0.2805-0.0000 ( 986 PWs) bands (ev): 8.7789 8.7789 9.9421 9.9421 10.6998 10.6998 10.8786 10.8786 11.4727 11.4727 12.5924 12.5924 14.5642 14.5642 14.6319 14.6319 14.6707 14.6707 15.2282 15.2282 15.9770 15.9770 21.8553 21.8553 23.9307 23.9307 k = 0.2744 0.2744-0.0000 ( 982 PWs) bands (ev): 8.7143 8.7143 9.9614 9.9614 10.7358 10.7358 10.8884 10.8884 11.4210 11.4210 12.5437 12.5437 14.5199 14.5199 14.6128 14.6128 14.6376 14.6376 15.2085 15.2085 15.9749 15.9749 22.0046 22.0046 23.9140 23.9140 k = 0.2683 0.2683-0.0000 ( 982 PWs) bands (ev): 8.6428 8.6428 9.9782 9.9782 10.7632 10.7632 10.8911 10.8911 11.3881 11.3881 12.5056 12.5056 14.4765 14.4765 14.5772 14.5772 14.6246 14.6246 15.1890 15.1890 15.9727 15.9727 22.1513 22.1513 23.8690 23.8690 k = 0.2622 0.2622-0.0000 ( 982 PWs) bands (ev): 8.5651 8.5651 9.9918 9.9918 10.7673 10.7673 10.9004 10.9004 11.3746 11.3746 12.4784 12.4784 14.4342 14.4342 14.5371 14.5371 14.6201 14.6201 15.1698 15.1698 15.9705 15.9705 22.2941 22.2941 23.7808 23.7808 k = 0.2561 0.2561-0.0000 ( 986 PWs) bands (ev): 8.4820 8.4820 10.0017 10.0017 10.7394 10.7394 10.9272 10.9272 11.3780 11.3780 12.4620 12.4620 14.3933 14.3933 14.4970 14.4970 14.6192 14.6192 15.1508 15.1508 15.9685 15.9685 22.4303 22.4303 23.6642 23.6643 k = 0.2500 0.2500-0.0000 ( 986 PWs) bands (ev): 8.3944 8.3944 10.0075 10.0075 10.6897 10.6897 10.9652 10.9652 11.3940 11.3940 12.4563 12.4563 14.3541 14.3541 14.4574 14.4574 14.6218 14.6218 15.1322 15.1322 15.9664 15.9664 22.5547 22.5547 23.5432 23.5432 k = 0.2439 0.2439-0.0000 ( 986 PWs) bands (ev): 8.3029 8.3029 10.0088 10.0088 10.6285 10.6285 11.0076 11.0076 11.4189 11.4189 12.4609 12.4609 14.3166 14.3166 14.4188 14.4188 14.6273 14.6273 15.1139 15.1139 15.9645 15.9645 22.6555 22.6555 23.4377 23.4377 k = 0.2378 0.2378-0.0000 ( 986 PWs) bands (ev): 8.2083 8.2083 10.0054 10.0054 10.5613 10.5613 11.0516 11.0516 11.4502 11.4502 12.4752 12.4752 14.2810 14.2810 14.3811 14.3811 14.6356 14.6356 15.0960 15.0960 15.9625 15.9625 22.7102 22.7102 23.3739 23.3739 k = 0.2317 0.2317-0.0000 ( 982 PWs) bands (ev): 8.1113 8.1113 9.9974 9.9974 10.4908 10.4908 11.0961 11.0961 11.4860 11.4860 12.4982 12.4982 14.2477 14.2477 14.3445 14.3445 14.6468 14.6468 15.0786 15.0786 15.9607 15.9607 22.6935 22.6935 23.3786 23.3786 k = 0.2256 0.2256-0.0000 ( 982 PWs) bands (ev): 8.0124 8.0124 9.9848 9.9848 10.4189 10.4189 11.1404 11.1404 11.5254 11.5254 12.5291 12.5291 14.2166 14.2166 14.3091 14.3091 14.6602 14.6602 15.0616 15.0616 15.9589 15.9589 22.6105 22.6105 23.4474 23.4475 k = 0.2195 0.2195-0.0000 ( 982 PWs) bands (ev): 7.9123 7.9123 9.9679 9.9679 10.3464 10.3464 11.1841 11.1841 11.5678 11.5678 12.5668 12.5668 14.1880 14.1880 14.2750 14.2750 14.6759 14.6759 15.0453 15.0453 15.9572 15.9572 22.4884 22.4884 23.5534 23.5534 k = 0.2134 0.2134-0.0000 ( 978 PWs) bands (ev): 7.8113 7.8113 9.9468 9.9468 10.2741 10.2741 11.2273 11.2273 11.6124 11.6124 12.6104 12.6104 14.1620 14.1620 14.2428 14.2428 14.6936 14.6936 15.0297 15.0297 15.9556 15.9556 22.3469 22.3469 23.6772 23.6772 k = 0.2073 0.2073-0.0000 ( 976 PWs) bands (ev): 7.7101 7.7101 9.9221 9.9221 10.2024 10.2024 11.2698 11.2698 11.6588 11.6588 12.6587 12.6587 14.1380 14.1380 14.2126 14.2126 14.7131 14.7131 15.0150 15.0150 15.9540 15.9540 22.1954 22.1954 23.8094 23.8094 k = 0.2012 0.2012-0.0000 ( 980 PWs) bands (ev): 7.6090 7.6090 9.8941 9.8941 10.1316 10.1316 11.3116 11.3116 11.7065 11.7065 12.7109 12.7109 14.1158 14.1158 14.1855 14.1855 14.7339 14.7339 15.0012 15.0012 15.9525 15.9525 22.0383 22.0383 23.9453 23.9453 k = 0.1951 0.1951-0.0000 ( 974 PWs) bands (ev): 7.5084 7.5084 9.8632 9.8632 10.0621 10.0621 11.3528 11.3528 11.7548 11.7548 12.7660 12.7660 14.0946 14.0946 14.1629 14.1629 14.7557 14.7557 14.9892 14.9892 15.9511 15.9511 21.8780 21.8780 24.0823 24.0823 k = 0.1890 0.1890-0.0000 ( 974 PWs) bands (ev): 7.4086 7.4086 9.8299 9.8299 9.9940 9.9940 11.3935 11.3935 11.8034 11.8034 12.8232 12.8232 14.0730 14.0730 14.1461 14.1461 14.7773 14.7773 14.9792 14.9792 15.9498 15.9498 21.7156 21.7156 24.2171 24.2171 k = 0.1829 0.1829-0.0000 ( 982 PWs) bands (ev): 7.3099 7.3099 9.7944 9.7944 9.9275 9.9275 11.4336 11.4336 11.8516 11.8516 12.8817 12.8817 14.0503 14.0503 14.1361 14.1361 14.7978 14.7978 14.9723 14.9723 15.9486 15.9486 21.5521 21.5521 24.3360 24.3360 k = 0.1768 0.1768-0.0000 ( 982 PWs) bands (ev): 7.2128 7.2128 9.7573 9.7573 9.8628 9.8628 11.4731 11.4731 11.8989 11.8989 12.9408 12.9408 14.0268 14.0268 14.1335 14.1335 14.8156 14.8156 14.9702 14.9702 15.9474 15.9474 21.3879 21.3879 24.4044 24.4044 k = 0.1707 0.1707-0.0000 ( 986 PWs) bands (ev): 7.1173 7.1173 9.7186 9.7186 9.8000 9.8000 11.5120 11.5120 11.9449 11.9449 12.9998 12.9998 14.0031 14.0031 14.1379 14.1379 14.8286 14.8286 14.9746 14.9746 15.9463 15.9463 21.2234 21.2234 24.4524 24.4524 k = 0.1646 0.1646-0.0000 ( 986 PWs) bands (ev): 7.0237 7.0237 9.6785 9.6785 9.7396 9.7396 11.5504 11.5504 11.9892 11.9892 13.0581 13.0581 13.9799 13.9799 14.1493 14.1493 14.8355 14.8355 14.9868 14.9868 15.9454 15.9454 21.0588 21.0588 24.4983 24.4983 k = 0.1585 0.1585-0.0000 ( 986 PWs) bands (ev): 6.9322 6.9322 9.6369 9.6369 9.6821 9.6821 11.5880 11.5880 12.0315 12.0315 13.1150 13.1150 13.9575 13.9575 14.1675 14.1675 14.8368 14.8368 15.0060 15.0060 15.9447 15.9447 20.8945 20.8945 24.5447 24.5447 k = 0.1524 0.1524-0.0000 ( 986 PWs) bands (ev): 6.8431 6.8431 9.5930 9.5930 9.6285 9.6285 11.6247 11.6247 12.0713 12.0713 13.1702 13.1702 13.9362 13.9362 14.1925 14.1925 14.8342 14.8342 15.0305 15.0305 15.9440 15.9440 20.7305 20.7305 24.5920 24.5920 k = 0.1463 0.1463-0.0000 ( 982 PWs) bands (ev): 6.7565 6.7565 9.5461 9.5461 9.5800 9.5800 11.6606 11.6606 12.1085 12.1085 13.2230 13.2230 13.9164 13.9164 14.2244 14.2244 14.8292 14.8292 15.0585 15.0585 15.9436 15.9436 20.5671 20.5671 24.6402 24.6402 k = 0.1402 0.1402-0.0000 ( 982 PWs) bands (ev): 6.6724 6.6724 9.4969 9.4969 9.5359 9.5359 11.6955 11.6955 12.1430 12.1430 13.2731 13.2731 13.8983 13.8983 14.2628 14.2628 14.8231 14.8231 15.0887 15.0887 15.9432 15.9432 20.4043 20.4043 24.6890 24.6890 k = 0.1341 0.1341-0.0000 ( 986 PWs) bands (ev): 6.5912 6.5912 9.4475 9.4475 9.4945 9.4945 11.7293 11.7293 12.1746 12.1746 13.3200 13.3200 13.8822 13.8822 14.3077 14.3077 14.8163 14.8163 15.1202 15.1202 15.9430 15.9430 20.2424 20.2424 24.7383 24.7383 k = 0.1280 0.1280-0.0000 ( 988 PWs) bands (ev): 6.5129 6.5129 9.3991 9.3991 9.4550 9.4550 11.7618 11.7618 12.2035 12.2035 13.3632 13.3632 13.8684 13.8684 14.3588 14.3588 14.8098 14.8098 15.1524 15.1524 15.9431 15.9431 20.0814 20.0814 24.7878 24.7878 k = 0.1220 0.1220-0.0000 ( 988 PWs) bands (ev): 6.4376 6.4376 9.3523 9.3523 9.4168 9.4168 11.7930 11.7930 12.2295 12.2295 13.4025 13.4025 13.8573 13.8573 14.4159 14.4159 14.8035 14.8035 15.1850 15.1850 15.9433 15.9433 19.9216 19.9216 24.8372 24.8372 k = 0.1159 0.1159-0.0000 ( 988 PWs) bands (ev): 6.3654 6.3654 9.3073 9.3073 9.3799 9.3799 11.8227 11.8227 12.2530 12.2530 13.4372 13.4372 13.8493 13.8493 14.4783 14.4783 14.7979 14.7979 15.2175 15.2175 15.9437 15.9437 19.7630 19.7630 24.8861 24.8861 k = 0.1098 0.1098-0.0000 ( 988 PWs) bands (ev): 6.2964 6.2964 9.2644 9.2644 9.3443 9.3443 11.8509 11.8509 12.2740 12.2740 13.4670 13.4670 13.8449 13.8449 14.5455 14.5455 14.7931 14.7931 15.2497 15.2497 15.9445 15.9445 19.6057 19.6057 24.9343 24.9343 k = 0.1037 0.1037-0.0000 ( 986 PWs) bands (ev): 6.2307 6.2307 9.2236 9.2236 9.3101 9.3101 11.8774 11.8774 12.2928 12.2928 13.4915 13.4915 13.8444 13.8444 14.6164 14.6164 14.7897 14.7897 15.2814 15.2814 15.9454 15.9454 19.4501 19.4501 24.9814 24.9814 k = 0.0976 0.0976-0.0000 ( 990 PWs) bands (ev): 6.1684 6.1684 9.1848 9.1848 9.2773 9.2773 11.9022 11.9022 12.3097 12.3097 13.5106 13.5106 13.8478 13.8478 14.6885 14.6885 14.7898 14.7898 15.3124 15.3124 15.9467 15.9467 19.2962 19.2962 25.0270 25.0270 k = 0.0915 0.0915-0.0000 ( 994 PWs) bands (ev): 6.1096 6.1096 9.1484 9.1484 9.2460 9.2460 11.9252 11.9252 12.3248 12.3248 13.5244 13.5244 13.8550 13.8550 14.7470 14.7470 14.8075 14.8075 15.3424 15.3424 15.9483 15.9483 19.1442 19.1442 25.0708 25.0708 k = 0.0854 0.0854-0.0000 ( 994 PWs) bands (ev): 6.0543 6.0543 9.1142 9.1142 9.2164 9.2164 11.9464 11.9464 12.3384 12.3384 13.5336 13.5336 13.8655 13.8655 14.7634 14.7634 14.8709 14.8709 15.3715 15.3715 15.9504 15.9504 18.9944 18.9944 25.1125 25.1125 k = 0.0793 0.0793-0.0000 ( 994 PWs) bands (ev): 6.0026 6.0026 9.0823 9.0823 9.1886 9.1886 11.9656 11.9656 12.3507 12.3507 13.5389 13.5389 13.8784 13.8784 14.7651 14.7651 14.9519 14.9519 15.3996 15.3996 15.9529 15.9529 18.8470 18.8470 25.1519 25.1519 k = 0.0732 0.0732-0.0000 ( 1002 PWs) bands (ev): 5.9545 5.9545 9.0526 9.0526 9.1624 9.1624 11.9830 11.9830 12.3618 12.3618 13.5412 13.5412 13.8928 13.8928 14.7648 14.7648 15.0367 15.0367 15.4265 15.4265 15.9559 15.9559 18.7025 18.7025 25.1887 25.1887 k = 0.0671 0.0671-0.0000 ( 997 PWs) bands (ev): 5.9101 5.9101 9.0253 9.0253 9.1383 9.1383 11.9986 11.9986 12.3720 12.3720 13.5414 13.5414 13.9079 13.9079 14.7643 14.7643 15.1228 15.1228 15.4527 15.4527 15.9597 15.9597 18.5612 18.5612 25.2228 25.2228 k = 0.0610 0.0610-0.0000 ( 997 PWs) bands (ev): 5.8694 5.8694 9.0003 9.0003 9.1160 9.1160 12.0123 12.0123 12.3813 12.3813 13.5400 13.5400 13.9229 13.9229 14.7639 14.7639 15.2081 15.2081 15.4784 15.4784 15.9643 15.9643 18.4236 18.4236 25.2540 25.2540 k = 0.0549 0.0549-0.0000 ( 997 PWs) bands (ev): 5.8325 5.8325 8.9777 8.9777 9.0956 9.0956 12.0243 12.0243 12.3897 12.3897 13.5378 13.5378 13.9375 13.9375 14.7637 14.7637 15.2902 15.2902 15.5047 15.5047 15.9701 15.9701 18.2903 18.2903 25.2822 25.2822 k = 0.0488 0.0488-0.0000 ( 997 PWs) bands (ev): 5.7993 5.7993 8.9574 8.9574 9.0772 9.0772 12.0346 12.0346 12.3974 12.3974 13.5351 13.5351 13.9510 13.9510 14.7638 14.7638 15.3654 15.3654 15.5339 15.5339 15.9775 15.9775 18.1623 18.1623 25.3074 25.3074 k = 0.0427 0.0427-0.0000 ( 995 PWs) bands (ev): 5.7700 5.7700 8.9395 8.9395 9.0609 9.0609 12.0434 12.0434 12.4043 12.4043 13.5322 13.5322 13.9634 13.9634 14.7641 14.7641 15.4278 15.4278 15.5700 15.5700 15.9869 15.9869 18.0405 18.0405 25.3296 25.3296 k = 0.0366 0.0366-0.0000 ( 995 PWs) bands (ev): 5.7446 5.7446 8.9239 8.9239 9.0467 9.0467 12.0508 12.0508 12.4104 12.4104 13.5293 13.5293 13.9743 13.9743 14.7645 14.7645 15.4724 15.4724 15.6155 15.6155 15.9992 15.9992 17.9265 17.9265 25.3487 25.3487 k = 0.0305 0.0305-0.0000 ( 995 PWs) bands (ev): 5.7230 5.7230 8.9108 8.9108 9.0346 9.0346 12.0568 12.0568 12.4156 12.4156 13.5267 13.5267 13.9837 13.9837 14.7650 14.7650 15.5010 15.5010 15.6659 15.6659 16.0149 16.0149 17.8221 17.8221 25.3648 25.3648 k = 0.0244 0.0244-0.0000 ( 995 PWs) bands (ev): 5.7053 5.7053 8.9000 8.9000 9.0247 9.0247 12.0615 12.0615 12.4199 12.4199 13.5243 13.5243 13.9914 13.9914 14.7655 14.7655 15.5197 15.5197 15.7125 15.7125 16.0344 16.0344 17.7296 17.7296 25.3779 25.3779 k = 0.0183 0.0183-0.0000 ( 991 PWs) bands (ev): 5.6916 5.6916 8.8916 8.8916 9.0170 9.0170 12.0651 12.0651 12.4234 12.4234 13.5226 13.5226 13.9975 13.9975 14.7660 14.7660 15.5322 15.5322 15.7498 15.7498 16.0563 16.0563 17.6522 17.6522 25.3881 25.3881 k = 0.0122 0.0122-0.0000 ( 991 PWs) bands (ev): 5.6818 5.6818 8.8856 8.8856 9.0115 9.0115 12.0676 12.0676 12.4258 12.4258 13.5212 13.5212 14.0018 14.0018 14.7663 14.7663 15.5403 15.5403 15.7757 15.7757 16.0773 16.0773 17.5931 17.5931 25.3953 25.3953 k = 0.0061 0.0061-0.0000 ( 991 PWs) bands (ev): 5.6758 5.6758 8.8820 8.8820 9.0081 9.0081 12.0691 12.0691 12.4273 12.4273 13.5203 13.5203 14.0044 14.0044 14.7666 14.7666 15.5449 15.5449 15.7905 15.7905 16.0926 16.0926 17.5559 17.5559 25.3997 25.3997 k = 0.0000 0.0000 0.0000 ( 999 PWs) bands (ev): 5.6739 5.6739 8.8808 8.8808 9.0070 9.0070 12.0695 12.0695 12.4278 12.4278 13.5198 13.5198 14.0052 14.0052 14.7666 14.7666 15.5464 15.5464 15.7952 15.7952 16.0981 16.0981 17.5431 17.5431 25.4011 25.4011 k = 0.0000 0.0000 0.0000 ( 999 PWs) bands (ev): 5.6739 5.6739 8.8808 8.8808 9.0070 9.0070 12.0695 12.0695 12.4278 12.4278 13.5198 13.5198 14.0052 14.0052 14.7666 14.7666 15.5464 15.5464 15.7952 15.7952 16.0981 16.0981 17.5431 17.5431 25.4011 25.4011 k = 0.0000 0.0000 0.0085 ( 999 PWs) bands (ev): 5.6755 5.6755 8.8812 8.8812 9.0078 9.0078 12.0700 12.0700 12.4283 12.4283 13.5193 13.5193 14.0053 14.0053 14.7658 14.7658 15.5459 15.5459 15.7935 15.7935 16.0966 16.0966 17.5347 17.5347 25.4112 25.4112 k = 0.0000 0.0000 0.0170 ( 991 PWs) bands (ev): 5.6804 5.6804 8.8823 8.8823 9.0100 9.0100 12.0714 12.0714 12.4300 12.4300 13.5181 13.5181 14.0058 14.0058 14.7633 14.7633 15.5447 15.5447 15.7885 15.7885 16.0920 16.0920 17.5094 17.5094 25.4413 25.4413 k = 0.0000 0.0000 0.0255 ( 991 PWs) bands (ev): 5.6885 5.6885 8.8840 8.8840 9.0137 9.0137 12.0737 12.0737 12.4327 12.4327 13.5158 13.5158 14.0064 14.0064 14.7591 14.7591 15.5425 15.5425 15.7801 15.7801 16.0842 16.0842 17.4679 17.4679 25.4909 25.4909 k = 0.0000 0.0000 0.0341 ( 991 PWs) bands (ev): 5.6998 5.6998 8.8865 8.8865 9.0189 9.0189 12.0769 12.0769 12.4365 12.4365 13.5124 13.5124 14.0073 14.0073 14.7533 14.7533 15.5395 15.5395 15.7684 15.7684 16.0735 16.0735 17.4108 17.4108 25.5590 25.5590 k = 0.0000 0.0000 0.0426 ( 999 PWs) bands (ev): 5.7143 5.7143 8.8897 8.8897 9.0253 9.0253 12.0809 12.0809 12.4414 12.4414 13.5081 13.5081 14.0086 14.0086 14.7455 14.7455 15.5356 15.5356 15.7533 15.7533 16.0597 16.0597 17.3391 17.3391 25.6446 25.6446 k = 0.0000 0.0000 0.0511 ( 999 PWs) bands (ev): 5.7320 5.7320 8.8936 8.8936 9.0333 9.0333 12.0858 12.0858 12.4473 12.4473 13.5028 13.5028 14.0102 14.0102 14.7362 14.7362 15.5308 15.5308 15.7351 15.7351 16.0431 16.0431 17.2540 17.2540 25.7462 25.7462 k = 0.0000 0.0000 0.0596 ( 995 PWs) bands (ev): 5.7528 5.7528 8.8982 8.8982 9.0428 9.0428 12.0916 12.0916 12.4543 12.4543 13.4965 13.4965 14.0121 14.0121 14.7254 14.7254 15.5252 15.5252 15.7137 15.7137 16.0238 16.0238 17.1568 17.1568 25.8621 25.8621 k = 0.0000 0.0000 0.0681 ( 987 PWs) bands (ev): 5.7768 5.7768 8.9034 8.9034 9.0537 9.0537 12.0982 12.0982 12.4624 12.4624 13.4893 13.4893 14.0145 14.0145 14.7128 14.7128 15.5187 15.5187 15.6894 15.6894 16.0019 16.0019 17.0488 17.0488 25.9905 25.9905 k = 0.0000 0.0000 0.0766 ( 991 PWs) bands (ev): 5.8038 5.8038 8.9092 8.9092 9.0660 9.0660 12.1055 12.1055 12.4714 12.4714 13.4810 13.4810 14.0173 14.0173 14.6983 14.6983 15.5112 15.5112 15.6618 15.6618 15.9773 15.9773 16.9315 16.9315 26.1292 26.1292 k = 0.0000 0.0000 0.0851 ( 991 PWs) bands (ev): 5.8338 5.8338 8.9157 8.9157 9.0796 9.0796 12.1136 12.1136 12.4815 12.4815 13.4717 13.4717 14.0206 14.0206 14.6820 14.6820 15.5030 15.5030 15.6312 15.6312 15.9505 15.9505 16.8064 16.8064 26.2760 26.2760 k = 0.0000 0.0000 0.0936 ( 991 PWs) bands (ev): 5.8667 5.8667 8.9227 8.9227 9.0945 9.0945 12.1224 12.1224 12.4926 12.4926 13.4614 13.4614 14.0245 14.0245 14.6638 14.6638 15.4938 15.4938 15.5977 15.5977 15.9215 15.9215 16.6748 16.6748 26.4284 26.4284 k = 0.0000 0.0000 0.1022 ( 999 PWs) bands (ev): 5.9025 5.9025 8.9303 8.9303 9.1107 9.1107 12.1319 12.1319 12.5046 12.5046 13.4500 13.4500 14.0288 14.0288 14.6436 14.6436 15.4835 15.4835 15.5612 15.5612 15.8904 15.8904 16.5384 16.5384 26.5836 26.5836 k = 0.0000 0.0000 0.1107 ( 999 PWs) bands (ev): 5.9411 5.9411 8.9383 8.9383 9.1282 9.1282 12.1420 12.1420 12.5176 12.5176 13.4379 13.4379 14.0337 14.0337 14.6213 14.6213 15.4724 15.4724 15.5215 15.5215 15.8577 15.8577 16.3986 16.3986 26.7393 26.7393 k = 0.0000 0.0000 0.1192 ( 999 PWs) bands (ev): 5.9823 5.9823 8.9469 8.9469 9.1468 9.1468 12.1526 12.1526 12.5315 12.5315 13.4249 13.4249 14.0392 14.0392 14.5967 14.5967 15.4602 15.4602 15.4787 15.4787 15.8235 15.8235 16.2571 16.2571 26.8933 26.8933 k = 0.0000 0.0000 0.1277 ( 999 PWs) bands (ev): 6.0262 6.0262 8.9559 8.9559 9.1667 9.1667 12.1637 12.1637 12.5464 12.5464 13.4111 13.4111 14.0453 14.0453 14.5694 14.5694 15.4322 15.4322 15.4470 15.4470 15.7881 15.7881 16.1157 16.1157 27.0441 27.0441 k = 0.0000 0.0000 0.1362 ( 999 PWs) bands (ev): 6.0726 6.0726 8.9653 8.9653 9.1876 9.1876 12.1751 12.1751 12.5621 12.5621 13.3965 13.3965 14.0520 14.0520 14.5392 14.5392 15.3815 15.3815 15.4325 15.4325 15.7519 15.7519 15.9765 15.9765 27.1914 27.1914 k = 0.0000 0.0000 0.1447 ( 999 PWs) bands (ev): 6.1213 6.1213 8.9751 8.9751 9.2097 9.2097 12.1868 12.1868 12.5786 12.5786 13.3812 13.3812 14.0593 14.0593 14.5055 14.5055 15.3258 15.3258 15.4166 15.4166 15.7151 15.7151 15.8420 15.8420 27.3354 27.3354 k = 0.0000 0.0000 0.1532 ( 999 PWs) bands (ev): 6.1722 6.1722 8.9852 8.9852 9.2327 9.2327 12.1985 12.1985 12.5959 12.5959 13.3653 13.3653 14.0671 14.0671 14.4675 14.4675 15.2640 15.2640 15.3992 15.3992 15.6782 15.6782 15.7152 15.7152 27.4772 27.4772 k = 0.0000 0.0000 0.1617 ( 999 PWs) bands (ev): 6.2253 6.2253 8.9956 8.9956 9.2568 9.2568 12.2102 12.2102 12.6139 12.6139 13.3488 13.3488 14.0755 14.0755 14.4244 14.4244 15.1949 15.1949 15.3799 15.3799 15.5991 15.5991 15.6416 15.6416 27.6178 27.6178 k = 0.0000 0.0000 0.1703 ( 1007 PWs) bands (ev): 6.2802 6.2802 9.0062 9.0062 9.2818 9.2818 12.2215 12.2215 12.6325 12.6325 13.3319 13.3319 14.0845 14.0845 14.3748 14.3748 15.1183 15.1183 15.3584 15.3584 15.4959 15.4959 15.6059 15.6059 27.7582 27.7582 k = 0.0000 0.0000 0.1788 ( 999 PWs) bands (ev): 6.3368 6.3368 9.0170 9.0170 9.3078 9.3078 12.2324 12.2324 12.6518 12.6518 13.3146 13.3146 14.0939 14.0939 14.3177 14.3177 15.0364 15.0364 15.3346 15.3346 15.4066 15.4066 15.5718 15.5718 27.8991 27.8991 k = 0.0000 0.0000 0.1873 ( 999 PWs) bands (ev): 6.3949 6.3949 9.0279 9.0279 9.3346 9.3346 12.2425 12.2425 12.6717 12.6717 13.2971 13.2971 14.1039 14.1039 14.2515 14.2515 14.9529 14.9529 15.3081 15.3081 15.3292 15.3292 15.5395 15.5395 28.0412 28.0412 k = 0.0000 0.0000 0.1958 ( 995 PWs) bands (ev): 6.4543 6.4543 9.0388 9.0388 9.3621 9.3621 12.2515 12.2515 12.6921 12.6921 13.2795 13.2795 14.1143 14.1143 14.1757 14.1757 14.8722 14.8722 15.2612 15.2612 15.2788 15.2788 15.5096 15.5096 28.1847 28.1847 k = 0.0000 0.0000 0.2043 ( 995 PWs) bands (ev): 6.5148 6.5148 9.0497 9.0497 9.3904 9.3904 12.2588 12.2588 12.7129 12.7129 13.2618 13.2618 14.0904 14.0904 14.1251 14.1251 14.7979 14.7979 15.2000 15.2000 15.2468 15.2468 15.4822 15.4822 28.3299 28.3299 k = 0.0000 0.0000 0.2128 ( 995 PWs) bands (ev): 6.5759 6.5759 9.0606 9.0606 9.4194 9.4194 12.2641 12.2641 12.7339 12.7339 13.2442 13.2442 13.9972 13.9972 14.1363 14.1363 14.7315 14.7315 15.1437 15.1437 15.2122 15.2122 15.4572 15.4572 28.4768 28.4768 k = 0.0000 0.0000 0.2213 ( 995 PWs) bands (ev): 6.6375 6.6375 9.0713 9.0713 9.4490 9.4490 12.2668 12.2668 12.7552 12.7552 13.2267 13.2267 13.8985 13.8985 14.1478 14.1478 14.6732 14.6732 15.0912 15.0912 15.1756 15.1756 15.4345 15.4345 28.6255 28.6255 k = 0.0000 0.0000 0.2299 ( 983 PWs) bands (ev): 6.6993 6.6993 9.0820 9.0820 9.4792 9.4792 12.2660 12.2660 12.7766 12.7766 13.2096 13.2096 13.7974 13.7974 14.1597 14.1597 14.6221 14.6221 15.0418 15.0418 15.1377 15.1377 15.4141 15.4141 28.7758 28.7758 k = 0.0000 0.0000 0.2384 ( 983 PWs) bands (ev): 6.7607 6.7607 9.0923 9.0923 9.5099 9.5099 12.2611 12.2611 12.7979 12.7979 13.1928 13.1928 13.6969 13.6969 14.1718 14.1718 14.5770 14.5770 14.9949 14.9949 15.0985 15.0985 15.3952 15.3952 28.9275 28.9275 k = 0.0000 0.0000 0.2469 ( 983 PWs) bands (ev): 6.8215 6.8215 9.1023 9.1023 9.5409 9.5409 12.2511 12.2511 12.8191 12.8191 13.1764 13.1764 13.5999 13.5999 14.1841 14.1841 14.5369 14.5369 14.9505 14.9505 15.0589 15.0589 15.3778 15.3778 29.0804 29.0804 k = 0.0000 0.0000 0.2554 ( 979 PWs) bands (ev): 6.8813 6.8813 9.1120 9.1120 9.5723 9.5723 12.2353 12.2353 12.8400 12.8400 13.1607 13.1607 13.5091 13.5091 14.1966 14.1966 14.5010 14.5010 14.9084 14.9084 15.0194 15.0194 15.3618 15.3618 29.2340 29.2340 k = 0.0000 0.0000 0.2639 ( 979 PWs) bands (ev): 6.9396 6.9396 9.1212 9.1212 9.6038 9.6038 12.2128 12.2128 12.8605 12.8605 13.1456 13.1456 13.4264 13.4264 14.2093 14.2093 14.4683 14.4683 14.8688 14.8688 14.9802 14.9802 15.3471 15.3471 29.3879 29.3879 k = 0.0000 0.0000 0.2724 ( 979 PWs) bands (ev): 6.9958 6.9958 9.1299 9.1299 9.6353 9.6353 12.1835 12.1835 12.8803 12.8803 13.1313 13.1313 13.3535 13.3535 14.2220 14.2220 14.4384 14.4384 14.8317 14.8317 14.9418 14.9418 15.3334 15.3334 29.5414 29.5414 k = 0.0000 0.0000 0.2809 ( 979 PWs) bands (ev): 7.0496 7.0496 9.1381 9.1381 9.6665 9.6665 12.1474 12.1474 12.8994 12.8994 13.1179 13.1179 13.2913 13.2913 14.2346 14.2346 14.4112 14.4112 14.7972 14.7972 14.9045 14.9045 15.3209 15.3209 29.6939 29.6939 k = 0.0000 0.0000 0.2894 ( 975 PWs) bands (ev): 7.1004 7.1004 9.1457 9.1457 9.6973 9.6973 12.1055 12.1055 12.9175 12.9175 13.1054 13.1054 13.2400 13.2400 14.2472 14.2472 14.3865 14.3865 14.7655 14.7655 14.8689 14.8689 15.3095 15.3095 29.8444 29.8444 k = 0.0000 0.0000 0.2980 ( 975 PWs) bands (ev): 7.1477 7.1477 9.1527 9.1527 9.7271 9.7271 12.0593 12.0593 12.9345 12.9345 13.0939 13.0939 13.1989 13.1989 14.2596 14.2596 14.3641 14.3641 14.7367 14.7367 14.8351 14.8351 15.2992 15.2992 29.9917 29.9917 k = 0.0000 0.0000 0.3065 ( 976 PWs) bands (ev): 7.1909 7.1909 9.1590 9.1590 9.7557 9.7557 12.0107 12.0107 12.9502 12.9502 13.0835 13.0835 13.1670 13.1670 14.2716 14.2716 14.3439 14.3439 14.7110 14.7110 14.8035 14.8035 15.2899 15.2899 30.1341 30.1341 k = 0.0000 0.0000 0.3150 ( 976 PWs) bands (ev): 7.2296 7.2296 9.1645 9.1645 9.7825 9.7825 11.9622 11.9622 12.9644 12.9644 13.0743 13.0743 13.1430 13.1430 14.2831 14.2831 14.3261 14.3261 14.6884 14.6884 14.7745 14.7745 15.2819 15.2819 30.2697 30.2697 k = 0.0000 0.0000 0.3235 ( 976 PWs) bands (ev): 7.2633 7.2633 9.1692 9.1692 9.8068 9.8068 11.9161 11.9161 12.9769 12.9769 13.0662 13.0662 13.1254 13.1254 14.2938 14.2938 14.3107 14.3107 14.6691 14.6691 14.7487 14.7487 15.2749 15.2749 30.3957 30.3957 k = 0.0000 0.0000 0.3320 ( 976 PWs) bands (ev): 7.2915 7.2915 9.1731 9.1731 9.8281 9.8281 11.8747 11.8747 12.9876 12.9876 13.0593 13.0593 13.1128 13.1128 14.2980 14.2980 14.3035 14.3035 14.6532 14.6532 14.7265 14.7265 15.2692 15.2692 30.5087 30.5087 k = 0.0000 0.0000 0.3405 ( 972 PWs) bands (ev): 7.3139 7.3139 9.1762 9.1762 9.8456 9.8456 11.8401 11.8401 12.9964 12.9964 13.0536 13.0536 13.1043 13.1043 14.2881 14.2881 14.3116 14.3116 14.6408 14.6408 14.7084 14.7084 15.2647 15.2647 30.6045 30.6045 k = 0.0000 0.0000 0.3490 ( 976 PWs) bands (ev): 7.3301 7.3301 9.1784 9.1784 9.8586 9.8586 11.8141 11.8141 13.0030 13.0030 13.0492 13.0492 13.0988 13.0988 14.2807 14.2807 14.3178 14.3178 14.6318 14.6318 14.6948 14.6948 15.2615 15.2615 30.6781 30.6781 k = 0.0000 0.0000 0.3575 ( 976 PWs) bands (ev): 7.3399 7.3399 9.1798 9.1798 9.8667 9.8667 11.7979 11.7979 13.0072 13.0072 13.0464 13.0464 13.0957 13.0957 14.2763 14.2763 14.3218 14.3218 14.6264 14.6264 14.6865 14.6865 15.2596 15.2596 30.7248 30.7248 k = 0.0000 0.0000 0.3661 ( 984 PWs) bands (ev): 7.3432 7.3432 9.1802 9.1802 9.8694 9.8694 11.7924 11.7924 13.0086 13.0086 13.0454 13.0454 13.0947 13.0947 14.2748 14.2748 14.3231 14.3231 14.6245 14.6245 14.6835 14.6835 15.2588 15.2588 30.7409 30.7409 k = 0.0000 0.0000 0.3661 ( 984 PWs) bands (ev): 7.3432 7.3432 9.1802 9.1802 9.8694 9.8694 11.7924 11.7924 13.0086 13.0086 13.0454 13.0454 13.0947 13.0947 14.2748 14.2748 14.3231 14.3231 14.6245 14.6245 14.6835 14.6835 15.2588 15.2588 30.7409 30.7409 k = 0.0000 0.0086 0.3661 ( 976 PWs) bands (ev): 7.3452 7.3452 9.1813 9.1813 9.8694 9.8694 11.7919 11.7919 12.9879 12.9879 13.0583 13.0583 13.1010 13.1010 14.2774 14.2774 14.3152 14.3152 14.6296 14.6296 14.6868 14.6868 15.2593 15.2593 30.7339 30.7339 k = 0.0000 0.0172 0.3661 ( 976 PWs) bands (ev): 7.3511 7.3511 9.1846 9.1846 9.8694 9.8694 11.7905 11.7905 12.9532 12.9532 13.0671 13.0671 13.1219 13.1219 14.2851 14.2851 14.2932 14.2932 14.6416 14.6416 14.6971 14.6971 15.2604 15.2604 30.7120 30.7120 k = 0.0000 0.0259 0.3661 ( 976 PWs) bands (ev): 7.3609 7.3609 9.1900 9.1900 9.8693 9.8693 11.7883 11.7883 12.9157 12.9157 13.0678 13.0678 13.1505 13.1505 14.2609 14.2609 14.2980 14.2980 14.6551 14.6551 14.7162 14.7162 15.2622 15.2622 30.6730 30.6730 k = 0.0000 0.0345 0.3661 ( 976 PWs) bands (ev): 7.3746 7.3746 9.1978 9.1978 9.8692 9.8692 11.7852 11.7852 12.8774 12.8774 13.0651 13.0651 13.1803 13.1803 14.2218 14.2218 14.3157 14.3157 14.6676 14.6676 14.7435 14.7435 15.2648 15.2648 30.6135 30.6135 k = 0.0000 0.0431 0.3661 ( 976 PWs) bands (ev): 7.3921 7.3921 9.2078 9.2078 9.8687 9.8687 11.7814 11.7814 12.8390 12.8390 13.0606 13.0606 13.2092 13.2092 14.1782 14.1782 14.3381 14.3381 14.6796 14.6796 14.7760 14.7760 15.2681 15.2681 30.5296 30.5297 k = 0.0000 0.0517 0.3661 ( 976 PWs) bands (ev): 7.4132 7.4132 9.2201 9.2201 9.8680 9.8680 11.7770 11.7770 12.8009 12.8009 13.0547 13.0547 13.2366 13.2366 14.1317 14.1317 14.3648 14.3648 14.6921 14.6921 14.8113 14.8113 15.2722 15.2722 30.4188 30.4188 k = 0.0000 0.0603 0.3661 ( 972 PWs) bands (ev): 7.4379 7.4379 9.2349 9.2349 9.8667 9.8667 11.7723 11.7723 12.7635 12.7635 13.0477 13.0477 13.2621 13.2621 14.0831 14.0831 14.3957 14.3957 14.7058 14.7058 14.8478 14.8478 15.2770 15.2770 30.2804 30.2804 k = 0.0000 0.0690 0.3661 ( 968 PWs) bands (ev): 7.4659 7.4659 9.2523 9.2523 9.8648 9.8648 11.7674 11.7674 12.7274 12.7274 13.0396 13.0396 13.2857 13.2857 14.0333 14.0333 14.4302 14.4302 14.7208 14.7208 14.8848 14.8848 15.2826 15.2826 30.1164 30.1164 k = 0.0000 0.0776 0.3661 ( 970 PWs) bands (ev): 7.4972 7.4972 9.2722 9.2722 9.8620 9.8620 11.7624 11.7624 12.6925 12.6925 13.0304 13.0304 13.3071 13.3071 13.9827 13.9827 14.4678 14.4678 14.7371 14.7371 14.9216 14.9216 15.2888 15.2888 29.9308 29.9308 k = 0.0000 0.0862 0.3661 ( 970 PWs) bands (ev): 7.5314 7.5314 9.2950 9.2950 9.8582 9.8582 11.7577 11.7577 12.6594 12.6594 13.0203 13.0203 13.3264 13.3264 13.9318 13.9318 14.5083 14.5083 14.7550 14.7550 14.9581 14.9581 15.2958 15.2958 29.7278 29.7278 k = 0.0000 0.0948 0.3661 ( 974 PWs) bands (ev): 7.5685 7.5685 9.3207 9.3207 9.8532 9.8532 11.7534 11.7534 12.6282 12.6282 13.0093 13.0093 13.3433 13.3433 13.8813 13.8813 14.5512 14.5512 14.7743 14.7743 14.9939 14.9939 15.3034 15.3034 29.5114 29.5114 k = 0.0000 0.1034 0.3661 ( 974 PWs) bands (ev): 7.6080 7.6080 9.3495 9.3495 9.8469 9.8469 11.7498 11.7498 12.5992 12.5992 12.9975 12.9975 13.3576 13.3576 13.8317 13.8317 14.5961 14.5961 14.7950 14.7950 15.0291 15.0291 15.3119 15.3119 29.2852 29.2852 k = 0.0000 0.1121 0.3661 ( 974 PWs) bands (ev): 7.6498 7.6498 9.3814 9.3814 9.8390 9.8390 11.7470 11.7470 12.5727 12.5727 12.9848 12.9848 13.3686 13.3686 13.7839 13.7839 14.6427 14.6427 14.8170 14.8170 15.0634 15.0634 15.3211 15.3211 29.0514 29.0514 k = 0.0000 0.1207 0.3661 ( 978 PWs) bands (ev): 7.6935 7.6935 9.4167 9.4167 9.8295 9.8295 11.7452 11.7452 12.5490 12.5490 12.9713 12.9713 13.3756 13.3756 13.7392 13.7392 14.6904 14.6904 14.8402 14.8402 15.0968 15.0968 15.3310 15.3310 28.8122 28.8122 k = 0.0000 0.1293 0.3661 ( 978 PWs) bands (ev): 7.7388 7.7388 9.4554 9.4554 9.8185 9.8185 11.7444 11.7444 12.5282 12.5282 12.9570 12.9570 13.3772 13.3772 13.6992 13.6992 14.7389 14.7389 14.8647 14.8647 15.1293 15.1293 15.3418 15.3418 28.5690 28.5690 k = 0.0000 0.1379 0.3661 ( 980 PWs) bands (ev): 7.7852 7.7852 9.4973 9.4973 9.8062 9.8062 11.7448 11.7448 12.5107 12.5107 12.9419 12.9419 13.3716 13.3716 13.6658 13.6658 14.7879 14.7879 14.8902 14.8902 15.1609 15.1609 15.3535 15.3535 28.3229 28.3229 k = 0.0000 0.1466 0.3661 ( 980 PWs) bands (ev): 7.8326 7.8326 9.5420 9.5420 9.7933 9.7933 11.7463 11.7463 12.4967 12.4967 12.9260 12.9260 13.3573 13.3573 13.6411 13.6411 14.8368 14.8368 14.9170 14.9170 15.1913 15.1913 15.3661 15.3661 28.0748 28.0748 k = 0.0000 0.1552 0.3661 ( 980 PWs) bands (ev): 7.8803 7.8803 9.5875 9.5875 9.7819 9.7819 11.7487 11.7487 12.4867 12.4867 12.9094 12.9094 13.3339 13.3339 13.6256 13.6256 14.8852 14.8852 14.9451 14.9451 15.2207 15.2207 15.3796 15.3796 27.8254 27.8255 k = 0.0000 0.1638 0.3661 ( 982 PWs) bands (ev): 7.9282 7.9282 9.6284 9.6284 9.7776 9.7776 11.7519 11.7519 12.4808 12.4808 12.8919 12.8919 13.3026 13.3026 13.6186 13.6186 14.9318 14.9318 14.9751 14.9751 15.2490 15.2490 15.3941 15.3941 27.5753 27.5753 k = 0.0000 0.1724 0.3661 ( 978 PWs) bands (ev): 7.9759 7.9759 9.6517 9.6517 9.7938 9.7938 11.7555 11.7555 12.4796 12.4796 12.8736 12.8736 13.2657 13.2657 13.6180 13.6180 14.9752 14.9752 15.0084 15.0084 15.2762 15.2762 15.4100 15.4100 27.3249 27.3249 k = 0.0000 0.1810 0.3661 ( 984 PWs) bands (ev): 8.0229 8.0229 9.6499 9.6499 9.8382 9.8382 11.7591 11.7591 12.4832 12.4832 12.8542 12.8542 13.2253 13.2253 13.6218 13.6218 15.0128 15.0128 15.0468 15.0468 15.3022 15.3022 15.4270 15.4270 27.0744 27.0744 k = 0.0000 0.1897 0.3661 ( 984 PWs) bands (ev): 8.0690 8.0690 9.6326 9.6326 9.9016 9.9016 11.7625 11.7625 12.4919 12.4919 12.8339 12.8339 13.1833 13.1833 13.6288 13.6288 15.0458 15.0458 15.0890 15.0890 15.3272 15.3272 15.4453 15.4453 26.8244 26.8244 k = 0.0000 0.1983 0.3661 ( 984 PWs) bands (ev): 8.1139 8.1139 9.6078 9.6078 9.9761 9.9761 11.7653 11.7653 12.5060 12.5060 12.8126 12.8126 13.1412 13.1412 13.6378 13.6378 15.0768 15.0768 15.1320 15.1320 15.3512 15.3512 15.4649 15.4649 26.5750 26.5750 k = 0.0000 0.2069 0.3661 ( 984 PWs) bands (ev): 8.1574 8.1574 9.5789 9.5789 10.0586 10.0586 11.7672 11.7672 12.5253 12.5253 12.7902 12.7902 13.0999 13.0999 13.6483 13.6483 15.1069 15.1069 15.1740 15.1740 15.3745 15.3745 15.4858 15.4858 26.3265 26.3265 k = 0.0000 0.2155 0.3661 ( 984 PWs) bands (ev): 8.1993 8.1993 9.5472 9.5472 10.1479 10.1479 11.7680 11.7680 12.5495 12.5495 12.7669 12.7669 13.0603 13.0603 13.6598 13.6598 15.1365 15.1365 15.2142 15.2142 15.3973 15.3973 15.5079 15.5079 26.0791 26.0791 k = 0.0000 0.2241 0.3661 ( 984 PWs) bands (ev): 8.2395 8.2395 9.5136 9.5136 10.2434 10.2434 11.7676 11.7676 12.5775 12.5775 12.7437 12.7437 13.0231 13.0231 13.6721 13.6721 15.1656 15.1656 15.2521 15.2521 15.4200 15.4200 15.5309 15.5309 25.8329 25.8329 k = 0.0000 0.2328 0.3661 ( 984 PWs) bands (ev): 8.2778 8.2778 9.4785 9.4785 10.3447 10.3447 11.7659 11.7659 12.6060 12.6060 12.7235 12.7235 12.9890 12.9890 13.6849 13.6849 15.1943 15.1943 15.2873 15.2873 15.4429 15.4429 15.5549 15.5549 25.5881 25.5881 k = 0.0000 0.2414 0.3661 ( 984 PWs) bands (ev): 8.3143 8.3143 9.4422 9.4422 10.4514 10.4514 11.7629 11.7629 12.6241 12.6241 12.7165 12.7165 12.9585 12.9585 13.6983 13.6983 15.2225 15.2225 15.3195 15.3195 15.4662 15.4662 15.5795 15.5795 25.3448 25.3448 k = 0.0000 0.2500 0.3661 ( 982 PWs) bands (ev): 8.3489 8.3489 9.4050 9.4050 10.5631 10.5631 11.7588 11.7588 12.6173 12.6173 12.7360 12.7360 12.9330 12.9330 13.7121 13.7121 15.2500 15.2500 15.3486 15.3486 15.4902 15.4902 15.6045 15.6045 25.1033 25.1033 k = 0.0000 0.2586 0.3661 ( 982 PWs) bands (ev): 8.3815 8.3815 9.3673 9.3673 10.6795 10.6795 11.7537 11.7537 12.5941 12.5941 12.7705 12.7705 12.9154 12.9154 13.7264 13.7264 15.2767 15.2767 15.3747 15.3747 15.5148 15.5148 15.6299 15.6299 24.8637 24.8637 k = 0.0000 0.2672 0.3661 ( 978 PWs) bands (ev): 8.4123 8.4123 9.3293 9.3293 10.7999 10.7999 11.7478 11.7478 12.5655 12.5655 12.7996 12.7996 12.9150 12.9150 13.7411 13.7411 15.3026 15.3026 15.3980 15.3980 15.5398 15.5398 15.6552 15.6552 24.6260 24.6260 k = 0.0000 0.2759 0.3661 ( 978 PWs) bands (ev): 8.4413 8.4413 9.2911 9.2911 10.9237 10.9237 11.7413 11.7413 12.5353 12.5353 12.8071 12.8071 12.9441 12.9441 13.7562 13.7562 15.3274 15.3274 15.4190 15.4190 15.5649 15.5649 15.6803 15.6803 24.3906 24.3906 k = 0.0000 0.2845 0.3661 ( 978 PWs) bands (ev): 8.4686 8.4686 9.2531 9.2531 11.0501 11.0501 11.7345 11.7345 12.5055 12.5055 12.7986 12.7986 12.9954 12.9954 13.7719 13.7719 15.3511 15.3511 15.4379 15.4379 15.5898 15.5898 15.7048 15.7048 24.1574 24.1574 k = 0.0000 0.2931 0.3661 ( 978 PWs) bands (ev): 8.4941 8.4941 9.2153 9.2153 11.1779 11.1779 11.7277 11.7277 12.4774 12.4774 12.7847 12.7847 13.0569 13.0569 13.7884 13.7884 15.3737 15.3737 15.4552 15.4552 15.6143 15.6143 15.7285 15.7285 23.9268 23.9268 k = 0.0000 0.3017 0.3661 ( 978 PWs) bands (ev): 8.5181 8.5181 9.1780 9.1780 11.3052 11.3052 11.7219 11.7219 12.4523 12.4523 12.7695 12.7695 13.1235 13.1235 13.8057 13.8057 15.3950 15.3950 15.4712 15.4712 15.6381 15.6381 15.7510 15.7510 23.6989 23.6989 k = 0.0000 0.3103 0.3661 ( 982 PWs) bands (ev): 8.5403 8.5403 9.1414 9.1414 11.4283 11.4283 11.7188 11.7188 12.4320 12.4320 12.7544 12.7544 13.1931 13.1931 13.8242 13.8242 15.4150 15.4150 15.4859 15.4859 15.6610 15.6610 15.7722 15.7722 23.4739 23.4739 k = 0.0000 0.3190 0.3661 ( 982 PWs) bands (ev): 8.5611 8.5611 9.1056 9.1056 11.5384 11.5384 11.7250 11.7250 12.4191 12.4191 12.7399 12.7399 13.2642 13.2642 13.8444 13.8444 15.4337 15.4337 15.4997 15.4997 15.6829 15.6829 15.7917 15.7917 23.2521 23.2521 k = 0.0000 0.3276 0.3661 ( 982 PWs) bands (ev): 8.5805 8.5805 9.0708 9.0708 11.6116 11.6116 11.7598 11.7598 12.4177 12.4177 12.7259 12.7259 13.3355 13.3355 13.8670 13.8670 15.4510 15.4510 15.5126 15.5126 15.7035 15.7035 15.8094 15.8094 23.0338 23.0338 k = 0.0000 0.3362 0.3661 ( 982 PWs) bands (ev): 8.5984 8.5984 9.0372 9.0372 11.6349 11.6349 11.8301 11.8301 12.4338 12.4338 12.7127 12.7127 13.4058 13.4058 13.8928 13.8928 15.4669 15.4669 15.5246 15.5246 15.7228 15.7228 15.8250 15.8250 22.8192 22.8192 k = 0.0000 0.3448 0.3661 ( 986 PWs) bands (ev): 8.6149 8.6149 9.0048 9.0048 11.6360 11.6360 11.9006 11.9006 12.4748 12.4748 12.7002 12.7002 13.4733 13.4733 13.9230 13.9230 15.4813 15.4813 15.5358 15.5358 15.7404 15.7404 15.8384 15.8384 22.6088 22.6088 k = 0.0000 0.3534 0.3661 ( 982 PWs) bands (ev): 8.6300 8.6300 8.9739 8.9739 11.6304 11.6304 11.9509 11.9509 12.5449 12.5449 12.6886 12.6886 13.5363 13.5363 13.9591 13.9591 15.4942 15.4942 15.5463 15.5463 15.7562 15.7562 15.8496 15.8496 22.4029 22.4029 k = 0.0000 0.3621 0.3661 ( 978 PWs) bands (ev): 8.6437 8.6437 8.9447 8.9447 11.6224 11.6224 11.9792 11.9792 12.6400 12.6400 12.6794 12.6794 13.5932 13.5932 14.0024 14.0024 15.5055 15.5055 15.5561 15.5561 15.7700 15.7700 15.8584 15.8584 22.2020 22.2020 k = 0.0000 0.3707 0.3661 ( 978 PWs) bands (ev): 8.6560 8.6560 8.9171 8.9171 11.6132 11.6132 11.9908 11.9908 12.6656 12.6656 12.7595 12.7595 13.6426 13.6426 14.0539 14.0539 15.5150 15.5150 15.5652 15.5652 15.7814 15.7814 15.8648 15.8648 22.0066 22.0066 k = 0.0000 0.3793 0.3661 ( 974 PWs) bands (ev): 8.6666 8.6666 8.8916 8.8916 11.6036 11.6036 11.9924 11.9924 12.6565 12.6565 12.8864 12.8864 13.6843 13.6843 14.1137 14.1137 15.5226 15.5226 15.5737 15.5737 15.7903 15.7903 15.8689 15.8689 21.8173 21.8173 k = 0.0000 0.3879 0.3661 ( 974 PWs) bands (ev): 8.6756 8.6756 8.8684 8.8684 11.5937 11.5937 11.9881 11.9881 12.6476 12.6476 13.0197 13.0197 13.7190 13.7190 14.1808 14.1808 15.5280 15.5280 15.5815 15.5815 15.7963 15.7963 15.8709 15.8709 21.6347 21.6347 k = 0.0000 0.3966 0.3661 ( 966 PWs) bands (ev): 8.6828 8.6828 8.8477 8.8477 11.5840 11.5840 11.9808 11.9808 12.6394 12.6394 13.1549 13.1549 13.7485 13.7485 14.2537 14.2537 15.5309 15.5309 15.5888 15.5888 15.7993 15.7993 15.8708 15.8708 21.4597 21.4597 k = 0.0000 0.4052 0.3661 ( 966 PWs) bands (ev): 8.6877 8.6877 8.8299 8.8299 11.5744 11.5744 11.9722 11.9722 12.6318 12.6318 13.2887 13.2887 13.7743 13.7743 14.3309 14.3309 15.5309 15.5309 15.5954 15.5954 15.7991 15.7991 15.8690 15.8690 21.2930 21.2930 k = 0.0000 0.4138 0.3661 ( 966 PWs) bands (ev): 8.6902 8.6902 8.8154 8.8154 11.5651 11.5651 11.9631 11.9631 12.6249 12.6249 13.4178 13.4178 13.7987 13.7987 14.4110 14.4110 15.5276 15.5276 15.6015 15.6015 15.7956 15.7956 15.8657 15.8657 21.1355 21.1355 k = 0.0000 0.4224 0.3661 ( 970 PWs) bands (ev): 8.6899 8.6899 8.8045 8.8045 11.5563 11.5563 11.9542 11.9542 12.6185 12.6185 13.5375 13.5375 13.8254 13.8254 14.4928 14.4928 15.5206 15.5206 15.6069 15.6069 15.7889 15.7889 15.8611 15.8611 20.9882 20.9882 k = 0.0000 0.4310 0.3661 ( 970 PWs) bands (ev): 8.6873 8.6873 8.7971 8.7971 11.5482 11.5482 11.9458 11.9458 12.6129 12.6129 13.6399 13.6399 13.8613 13.8613 14.5755 14.5755 15.5093 15.5093 15.6118 15.6118 15.7793 15.7793 15.8557 15.8557 20.8521 20.8521 k = 0.0000 0.4397 0.3661 ( 970 PWs) bands (ev): 8.6826 8.6826 8.7927 8.7927 11.5407 11.5407 11.9382 11.9382 12.6080 12.6080 13.7135 13.7135 13.9164 13.9164 14.6581 14.6581 15.4931 15.4931 15.6162 15.6162 15.7672 15.7672 15.8498 15.8498 20.7284 20.7284 k = 0.0000 0.4483 0.3661 ( 968 PWs) bands (ev): 8.6769 8.6769 8.7906 8.7906 11.5340 11.5340 11.9315 11.9315 12.6037 12.6037 13.7563 13.7563 13.9912 13.9912 14.7401 14.7401 15.4717 15.4717 15.6198 15.6198 15.7534 15.7534 15.8439 15.8439 20.6182 20.6182 k = 0.0000 0.4569 0.3661 ( 970 PWs) bands (ev): 8.6709 8.6709 8.7898 8.7898 11.5282 11.5282 11.9257 11.9257 12.6000 12.6000 13.7798 13.7798 14.0720 14.0720 14.8208 14.8208 15.4445 15.4445 15.6227 15.6227 15.7384 15.7384 15.8382 15.8382 20.5226 20.5226 k = 0.0000 0.4655 0.3661 ( 970 PWs) bands (ev): 8.6653 8.6653 8.7898 8.7898 11.5233 11.5233 11.9209 11.9209 12.5970 12.5970 13.7938 13.7938 14.1473 14.1473 14.8991 14.8991 15.4115 15.4115 15.6249 15.6249 15.7235 15.7235 15.8333 15.8333 20.4426 20.4426 k = 0.0000 0.4741 0.3661 ( 968 PWs) bands (ev): 8.6605 8.6605 8.7902 8.7902 11.5195 11.5195 11.9173 11.9173 12.5947 12.5947 13.8028 13.8028 14.2107 14.2107 14.9741 14.9741 15.3730 15.3730 15.6263 15.6263 15.7099 15.7099 15.8293 15.8293 20.3793 20.3793 k = 0.0000 0.4828 0.3661 ( 968 PWs) bands (ev): 8.6570 8.6570 8.7906 8.7906 11.5167 11.5167 11.9146 11.9146 12.5931 12.5931 13.8084 13.8084 14.2584 14.2584 15.0436 15.0436 15.3303 15.3303 15.6269 15.6269 15.6991 15.6991 15.8264 15.8264 20.3334 20.3334 k = 0.0000 0.4914 0.3661 ( 968 PWs) bands (ev): 8.6548 8.6548 8.7909 8.7909 11.5150 11.5150 11.9130 11.9130 12.5921 12.5921 13.8115 13.8115 14.2880 14.2880 15.1019 15.1019 15.2882 15.2882 15.6271 15.6271 15.6922 15.6922 15.8247 15.8247 20.3056 20.3056 k = 0.0000 0.5000 0.3661 ( 972 PWs) bands (ev): 8.6540 8.6540 8.7910 8.7910 11.5144 11.5144 11.9125 11.9125 12.5917 12.5917 13.8125 13.8125 14.2981 14.2981 15.1295 15.1295 15.2660 15.2660 15.6271 15.6271 15.6898 15.6898 15.8240 15.8240 20.2963 20.2963 k = 0.0000 0.5000 0.3661 ( 972 PWs) bands (ev): 8.6540 8.6540 8.7910 8.7910 11.5144 11.5144 11.9125 11.9125 12.5917 12.5917 13.8125 13.8125 14.2981 14.2981 15.1295 15.1295 15.2660 15.2660 15.6271 15.6271 15.6898 15.6898 15.8240 15.8240 20.2963 20.2963 k = 0.0086 0.5000 0.3661 ( 972 PWs) bands (ev): 8.6552 8.6552 8.7932 8.7932 11.5129 11.5129 11.9108 11.9108 12.5907 12.5907 13.8134 13.8134 14.2928 14.2928 15.1074 15.1074 15.2734 15.2734 15.6356 15.6356 15.6908 15.6908 15.8404 15.8404 20.2963 20.2963 k = 0.0172 0.5000 0.3661 ( 968 PWs) bands (ev): 8.6589 8.6589 8.8002 8.8002 11.5084 11.5084 11.9059 11.9059 12.5876 12.5876 13.8160 13.8160 14.2776 14.2776 15.0538 15.0538 15.2864 15.2864 15.6568 15.6568 15.6965 15.6965 15.8870 15.8870 20.2961 20.2961 k = 0.0259 0.5000 0.3661 ( 968 PWs) bands (ev): 8.6649 8.6649 8.8117 8.8117 11.5005 11.5005 11.8980 11.8980 12.5824 12.5824 13.8205 13.8205 14.2533 14.2533 14.9842 14.9842 15.2972 15.2972 15.6732 15.6732 15.7216 15.7216 15.9577 15.9577 20.2958 20.2958 k = 0.0345 0.5000 0.3661 ( 964 PWs) bands (ev): 8.6731 8.6731 8.8282 8.8282 11.4890 11.4890 11.8876 11.8876 12.5753 12.5753 13.8268 13.8268 14.2214 14.2214 14.9070 14.9070 15.3048 15.3048 15.6773 15.6773 15.7716 15.7716 16.0458 16.0458 20.2954 20.2954 k = 0.0431 0.5000 0.3661 ( 964 PWs) bands (ev): 8.6832 8.6832 8.8495 8.8495 11.4734 11.4734 11.8753 11.8753 12.5664 12.5664 13.8347 13.8347 14.1835 14.1835 14.8266 14.8266 15.3096 15.3096 15.6776 15.6776 15.8364 15.8364 16.1459 16.1459 20.2950 20.2950 k = 0.0517 0.5000 0.3661 ( 964 PWs) bands (ev): 8.6951 8.6951 8.8760 8.8760 11.4531 11.4531 11.8617 11.8617 12.5558 12.5558 13.8443 13.8443 14.1409 14.1409 14.7455 14.7455 15.3124 15.3124 15.6767 15.6767 15.9124 15.9124 16.2544 16.2544 20.2944 20.2944 k = 0.0603 0.5000 0.3661 ( 968 PWs) bands (ev): 8.7086 8.7086 8.9076 8.9076 11.4278 11.4278 11.8475 11.8475 12.5438 12.5438 13.8555 13.8555 14.0949 14.0949 14.6654 14.6654 15.3136 15.3136 15.6753 15.6753 15.9975 15.9975 16.3692 16.3692 20.2938 20.2938 k = 0.0690 0.5000 0.3661 ( 964 PWs) bands (ev): 8.7236 8.7236 8.9444 8.9444 11.3971 11.3971 11.8330 11.8330 12.5308 12.5308 13.8683 13.8683 14.0464 14.0464 14.5873 14.5873 15.3135 15.3135 15.6734 15.6734 16.0906 16.0906 16.4888 16.4888 20.2932 20.2932 k = 0.0776 0.5000 0.3661 ( 964 PWs) bands (ev): 8.7401 8.7401 8.9863 8.9863 11.3610 11.3610 11.8185 11.8185 12.5170 12.5170 13.8824 13.8824 13.9963 13.9963 14.5119 14.5119 15.3124 15.3124 15.6711 15.6711 16.1904 16.1904 16.6123 16.6123 20.2926 20.2926 k = 0.0862 0.5000 0.3661 ( 964 PWs) bands (ev): 8.7580 8.7580 9.0332 9.0332 11.3195 11.3195 11.8039 11.8039 12.5029 12.5029 13.8959 13.8959 13.9468 13.9468 14.4397 14.4397 15.3105 15.3105 15.6686 15.6686 16.2960 16.2960 16.7390 16.7390 20.2920 20.2920 k = 0.0948 0.5000 0.3661 ( 968 PWs) bands (ev): 8.7773 8.7773 9.0851 9.0851 11.2729 11.2729 11.7891 11.7891 12.4889 12.4889 13.8824 13.8824 13.9248 13.9248 14.3711 14.3711 15.3078 15.3078 15.6657 15.6657 16.4066 16.4066 16.8685 16.8685 20.2915 20.2915 k = 0.1034 0.5000 0.3661 ( 976 PWs) bands (ev): 8.7980 8.7980 9.1417 9.1417 11.2218 11.2218 11.7736 11.7736 12.4756 12.4756 13.8322 13.8322 13.9399 13.9399 14.3062 14.3062 15.3044 15.3044 15.6625 15.6625 16.5217 16.5217 17.0004 17.0004 20.2910 20.2910 k = 0.1121 0.5000 0.3661 ( 976 PWs) bands (ev): 8.8199 8.8199 9.2029 9.2029 11.1668 11.1668 11.7568 11.7568 12.4636 12.4636 13.7784 13.7784 13.9595 13.9595 14.2454 14.2454 15.3005 15.3005 15.6591 15.6591 16.6407 16.6407 17.1346 17.1346 20.2907 20.2907 k = 0.1207 0.5000 0.3661 ( 976 PWs) bands (ev): 8.8432 8.8432 9.2684 9.2684 11.1084 11.1084 11.7383 11.7383 12.4534 12.4534 13.7240 13.7240 13.9802 13.9802 14.1890 14.1890 15.2962 15.2962 15.6554 15.6554 16.7632 16.7632 17.2707 17.2707 20.2906 20.2906 k = 0.1293 0.5000 0.3661 ( 976 PWs) bands (ev): 8.8678 8.8678 9.3381 9.3381 11.0474 11.0474 11.7173 11.7173 12.4457 12.4457 13.6694 13.6694 14.0001 14.0001 14.1383 14.1383 15.2913 15.2913 15.6516 15.6516 16.8888 16.8888 17.4086 17.4086 20.2907 20.2907 k = 0.1379 0.5000 0.3661 ( 976 PWs) bands (ev): 8.8935 8.8935 9.4116 9.4116 10.9845 10.9845 11.6935 11.6935 12.4408 12.4408 13.6150 13.6150 14.0130 14.0130 14.0991 14.0991 15.2860 15.2860 15.6476 15.6476 17.0172 17.0172 17.5482 17.5482 20.2911 20.2911 k = 0.1466 0.5000 0.3661 ( 976 PWs) bands (ev): 8.9204 8.9204 9.4885 9.4885 10.9203 10.9203 11.6666 11.6666 12.4392 12.4392 13.5612 13.5612 14.0009 14.0009 14.0891 14.0891 15.2804 15.2804 15.6434 15.6434 17.1482 17.1482 17.6893 17.6893 20.2919 20.2919 k = 0.1552 0.5000 0.3661 ( 976 PWs) bands (ev): 8.9484 8.9484 9.5683 9.5683 10.8557 10.8557 11.6363 11.6363 12.4411 12.4411 13.5081 13.5081 13.9658 13.9658 14.1059 14.1059 15.2743 15.2743 15.6390 15.6390 17.2814 17.2814 17.8319 17.8319 20.2932 20.2932 k = 0.1638 0.5000 0.3661 ( 980 PWs) bands (ev): 8.9774 8.9774 9.6502 9.6502 10.7916 10.7916 11.6027 11.6027 12.4467 12.4467 13.4559 13.4559 13.9254 13.9254 14.1312 14.1312 15.2680 15.2680 15.6346 15.6346 17.4166 17.4166 17.9758 17.9758 20.2949 20.2949 k = 0.1724 0.5000 0.3661 ( 976 PWs) bands (ev): 9.0074 9.0074 9.7333 9.7333 10.7294 10.7294 11.5660 11.5660 12.4560 12.4560 13.4049 13.4049 13.8849 13.8849 14.1600 14.1600 15.2613 15.2613 15.6301 15.6301 17.5538 17.5538 18.1211 18.1211 20.2973 20.2973 k = 0.1810 0.5000 0.3661 ( 980 PWs) bands (ev): 9.0381 9.0381 9.8158 9.8158 10.6707 10.6707 11.5263 11.5263 12.4689 12.4689 13.3551 13.3551 13.8452 13.8452 14.1905 14.1905 15.2544 15.2544 15.6255 15.6255 17.6926 17.6926 18.2674 18.2674 20.3003 20.3003 k = 0.1897 0.5000 0.3661 ( 980 PWs) bands (ev): 9.0696 9.0696 9.8950 9.8950 10.6184 10.6184 11.4841 11.4841 12.4852 12.4852 13.3065 13.3065 13.8068 13.8068 14.2222 14.2222 15.2473 15.2473 15.6209 15.6209 17.8329 17.8329 18.4149 18.4149 20.3042 20.3042 k = 0.1983 0.5000 0.3661 ( 980 PWs) bands (ev): 9.1017 9.1017 9.9662 9.9662 10.5773 10.5773 11.4397 11.4397 12.5048 12.5048 13.2594 13.2594 13.7697 13.7697 14.2549 14.2549 15.2401 15.2401 15.6165 15.6165 17.9746 17.9746 18.5634 18.5634 20.3090 20.3090 k = 0.2069 0.5000 0.3661 ( 984 PWs) bands (ev): 9.1343 9.1343 10.0217 10.0217 10.5550 10.5550 11.3936 11.3936 12.5274 12.5274 13.2136 13.2136 13.7335 13.7335 14.2883 14.2883 15.2327 15.2327 15.6121 15.6121 18.1176 18.1176 18.7129 18.7129 20.3148 20.3148 k = 0.2155 0.5000 0.3661 ( 984 PWs) bands (ev): 9.1672 9.1672 10.0522 10.0522 10.5607 10.5607 11.3462 11.3462 12.5528 12.5528 13.1692 13.1692 13.6988 13.6988 14.3222 14.3222 15.2253 15.2253 15.6080 15.6080 18.2616 18.2616 18.8633 18.8633 20.3219 20.3219 k = 0.2241 0.5000 0.3661 ( 980 PWs) bands (ev): 9.2002 9.2002 10.0535 10.0535 10.5984 10.5984 11.2981 11.2981 12.5809 12.5809 13.1264 13.1264 13.6651 13.6651 14.3565 14.3565 15.2180 15.2180 15.6042 15.6042 18.4066 18.4066 19.0145 19.0145 20.3303 20.3303 k = 0.2328 0.5000 0.3661 ( 980 PWs) bands (ev): 9.2331 9.2331 10.0308 10.0308 10.6628 10.6628 11.2500 11.2500 12.6114 12.6114 13.0851 13.0851 13.6324 13.6324 14.3908 14.3908 15.2109 15.2109 15.6007 15.6007 18.5524 18.5524 19.1665 19.1665 20.3403 20.3403 k = 0.2414 0.5000 0.3661 ( 972 PWs) bands (ev): 9.2655 9.2655 9.9931 9.9931 10.7441 10.7441 11.2028 11.2028 12.6440 12.6440 13.0456 13.0456 13.6007 13.6007 14.4252 14.4252 15.2039 15.2039 15.5978 15.5978 18.6987 18.6987 19.3192 19.3192 20.3520 20.3520 k = 0.2500 0.5000 0.3661 ( 968 PWs) bands (ev): 9.2971 9.2971 9.9475 9.9475 10.8333 10.8333 11.1587 11.1587 12.6784 12.6784 13.0077 13.0077 13.5701 13.5701 14.4592 14.4592 15.1974 15.1974 15.5954 15.5954 18.8454 18.8454 19.4725 19.4725 20.3659 20.3659 k = 0.2586 0.5000 0.3661 ( 968 PWs) bands (ev): 9.3273 9.3273 9.8988 9.8988 10.9189 10.9189 11.1250 11.1250 12.7141 12.7141 12.9718 12.9718 13.5404 13.5404 14.4926 14.4926 15.1913 15.1913 15.5937 15.5937 18.9923 18.9923 19.6264 19.6264 20.3820 20.3820 k = 0.2672 0.5000 0.3661 ( 968 PWs) bands (ev): 9.3551 9.3551 9.8501 9.8501 10.9698 10.9698 11.1304 11.1304 12.7502 12.7502 12.9387 12.9387 13.5117 13.5117 14.5252 14.5252 15.1859 15.1859 15.5927 15.5927 19.1389 19.1389 19.7809 19.7809 20.4009 20.4009 k = 0.2759 0.5000 0.3661 ( 968 PWs) bands (ev): 9.3794 9.3794 9.8039 9.8039 10.9590 10.9590 11.2005 11.2005 12.7841 12.7841 12.9107 12.9107 13.4840 13.4840 14.5570 14.5570 15.1813 15.1813 15.5927 15.5927 19.2850 19.2850 19.9358 19.9358 20.4231 20.4231 k = 0.2845 0.5000 0.3661 ( 968 PWs) bands (ev): 9.3981 9.3981 9.7630 9.7630 10.9229 10.9229 11.2976 11.2976 12.8068 12.8068 12.8966 12.8966 13.4573 13.4573 14.5875 14.5875 15.1778 15.1778 15.5937 15.5937 19.4299 19.4299 20.0911 20.0911 20.4491 20.4491 k = 0.2931 0.5000 0.3661 ( 972 PWs) bands (ev): 9.4084 9.4084 9.7307 9.7307 10.8812 10.8812 11.4014 11.4014 12.8035 12.8035 12.9110 12.9110 13.4316 13.4316 14.6166 14.6166 15.1755 15.1755 15.5958 15.5958 19.5729 19.5729 20.2467 20.2467 20.4798 20.4798 k = 0.3017 0.5000 0.3661 ( 968 PWs) bands (ev): 9.4074 9.4074 9.7101 9.7101 10.8386 10.8386 11.5067 11.5067 12.7831 12.7831 12.9450 12.9450 13.4073 13.4073 14.6442 14.6442 15.1747 15.1747 15.5993 15.5993 19.7131 19.7131 20.4022 20.4022 20.5166 20.5166 k = 0.3103 0.5000 0.3661 ( 980 PWs) bands (ev): 9.3936 9.3936 9.7027 9.7027 10.7965 10.7965 11.6113 11.6113 12.7579 12.7579 12.9850 12.9850 13.3843 13.3843 14.6699 14.6699 15.1757 15.1757 15.6037 15.6037 19.8490 19.8490 20.5483 20.5483 20.5703 20.5703 k = 0.3190 0.5000 0.3661 ( 980 PWs) bands (ev): 9.3689 9.3689 9.7070 9.7070 10.7558 10.7558 11.7141 11.7141 12.7324 12.7324 13.0267 13.0267 13.3630 13.3630 14.6937 14.6937 15.1787 15.1787 15.6098 15.6098 19.9787 19.9787 20.6103 20.6103 20.7176 20.7176 k = 0.3276 0.5000 0.3661 ( 984 PWs) bands (ev): 9.3366 9.3366 9.7193 9.7193 10.7167 10.7167 11.8142 11.8142 12.7077 12.7077 13.0681 13.0681 13.3438 13.3438 14.7151 14.7151 15.1841 15.1841 15.6174 15.6174 20.1001 20.1001 20.6748 20.6748 20.8740 20.8740 k = 0.3362 0.5000 0.3661 ( 984 PWs) bands (ev): 9.3002 9.3002 9.7362 9.7362 10.6797 10.6797 11.9111 11.9111 12.6843 12.6843 13.1073 13.1073 13.3276 13.3276 14.7345 14.7345 15.1921 15.1921 15.6264 15.6264 20.2110 20.2110 20.7524 20.7524 21.0311 21.0311 k = 0.3448 0.5000 0.3661 ( 980 PWs) bands (ev): 9.2620 9.2620 9.7555 9.7555 10.6450 10.6450 12.0038 12.0038 12.6628 12.6628 13.1421 13.1421 13.3159 13.3159 14.7519 14.7519 15.2030 15.2030 15.6368 15.6368 20.3103 20.3103 20.8444 20.8444 21.1885 21.1885 k = 0.3534 0.5000 0.3661 ( 980 PWs) bands (ev): 9.2234 9.2234 9.7755 9.7755 10.6127 10.6127 12.0918 12.0918 12.6435 12.6435 13.1688 13.1688 13.3115 13.3115 14.7669 14.7669 15.2169 15.2169 15.6484 15.6484 20.3987 20.3987 20.9502 20.9502 21.3464 21.3464 k = 0.3621 0.5000 0.3661 ( 980 PWs) bands (ev): 9.1853 9.1853 9.7952 9.7952 10.5831 10.5831 12.1742 12.1742 12.6273 12.6273 13.1837 13.1837 13.3177 13.3177 14.7798 14.7798 15.2340 15.2340 15.6611 15.6611 20.4786 20.4786 21.0673 21.0673 21.5046 21.5046 k = 0.3707 0.5000 0.3661 ( 980 PWs) bands (ev): 9.1483 9.1483 9.8139 9.8139 10.5564 10.5564 12.2495 12.2495 12.6153 12.6153 13.1868 13.1868 13.3339 13.3339 14.7906 14.7906 15.2543 15.2543 15.6747 15.6747 20.5528 20.5528 21.1926 21.1926 21.6632 21.6632 k = 0.3793 0.5000 0.3661 ( 980 PWs) bands (ev): 9.1129 9.1129 9.8311 9.8311 10.5326 10.5326 12.3155 12.3155 12.6098 12.6098 13.1824 13.1824 13.3551 13.3551 14.7996 14.7996 15.2777 15.2777 15.6890 15.6890 20.6239 20.6239 21.3233 21.3233 21.8225 21.8225 k = 0.3879 0.5000 0.3661 ( 980 PWs) bands (ev): 9.0793 9.0793 9.8465 9.8465 10.5118 10.5118 12.3684 12.3684 12.6144 12.6144 13.1746 13.1746 13.3769 13.3769 14.8069 14.8069 15.3040 15.3040 15.7037 15.7037 20.6938 20.6938 21.4570 21.4570 21.9825 21.9825 k = 0.3966 0.5000 0.3661 ( 984 PWs) bands (ev): 9.0478 9.0478 9.8599 9.8599 10.4940 10.4940 12.4042 12.4042 12.6330 12.6330 13.1657 13.1657 13.3965 13.3965 14.8125 14.8125 15.3328 15.3328 15.7186 15.7186 20.7638 20.7638 21.5920 21.5920 22.1433 22.1433 k = 0.4052 0.5000 0.3661 ( 980 PWs) bands (ev): 9.0184 9.0184 9.8711 9.8711 10.4792 10.4792 12.4227 12.4227 12.6662 12.6662 13.1570 13.1570 13.4127 13.4127 14.8170 14.8170 15.3635 15.3635 15.7334 15.7334 20.8345 20.8345 21.7271 21.7271 22.3051 22.3051 k = 0.4138 0.5000 0.3661 ( 980 PWs) bands (ev): 8.9913 8.9913 9.8802 9.8802 10.4672 10.4672 12.4288 12.4288 12.7085 12.7085 13.1493 13.1493 13.4248 13.4248 14.8203 14.8203 15.3955 15.3955 15.7478 15.7478 20.9061 20.9061 21.8614 21.8614 22.4680 22.4680 k = 0.4224 0.5000 0.3661 ( 980 PWs) bands (ev): 8.9666 8.9666 9.8873 9.8873 10.4577 10.4577 12.4281 12.4281 12.7544 12.7544 13.1431 13.1431 13.4324 13.4324 14.8226 14.8226 15.4280 15.4280 15.7617 15.7617 20.9781 20.9781 21.9944 21.9944 22.6321 22.6321 k = 0.4310 0.5000 0.3661 ( 976 PWs) bands (ev): 8.9443 8.9443 9.8926 9.8926 10.4506 10.4506 12.4242 12.4242 12.7998 12.7998 13.1389 13.1389 13.4356 13.4356 14.8242 14.8242 15.4601 15.4601 15.7749 15.7749 21.0500 21.0500 22.1257 22.1257 22.7974 22.7974 k = 0.4397 0.5000 0.3661 ( 976 PWs) bands (ev): 8.9245 8.9245 9.8964 9.8964 10.4455 10.4455 12.4189 12.4189 12.8423 12.8423 13.1374 13.1374 13.4347 13.4347 14.8252 14.8252 15.4911 15.4911 15.7869 15.7869 21.1207 21.1207 22.2553 22.2553 22.9637 22.9637 k = 0.4483 0.5000 0.3661 ( 968 PWs) bands (ev): 8.9073 8.9073 9.8988 9.8988 10.4420 10.4420 12.4135 12.4135 12.8802 12.8802 13.1393 13.1393 13.4299 13.4299 14.8258 14.8258 15.5199 15.5199 15.7977 15.7977 21.1885 21.1885 22.3833 22.3833 23.1303 23.1303 k = 0.4569 0.5000 0.3661 ( 972 PWs) bands (ev): 8.8927 8.8927 9.9003 9.9003 10.4398 10.4398 12.4083 12.4083 12.9118 12.9118 13.1447 13.1447 13.4220 13.4220 14.8260 14.8260 15.5459 15.5459 15.8070 15.8070 21.2516 21.2516 22.5101 22.5101 23.2937 23.2937 k = 0.4655 0.5000 0.3661 ( 972 PWs) bands (ev): 8.8807 8.8807 9.9011 9.9011 10.4384 10.4384 12.4037 12.4037 12.9367 12.9367 13.1539 13.1539 13.4117 13.4117 14.8260 14.8260 15.5682 15.5682 15.8149 15.8149 21.3078 21.3078 22.6358 22.6358 23.4379 23.4379 k = 0.4741 0.5000 0.3661 ( 968 PWs) bands (ev): 8.8714 8.8714 9.9014 9.9014 10.4377 10.4377 12.4002 12.4002 12.9548 12.9548 13.1658 13.1658 13.4003 13.4003 14.8259 14.8259 15.5863 15.5863 15.8210 15.8210 21.3548 21.3548 22.7596 22.7596 23.5379 23.5379 k = 0.4828 0.5000 0.3661 ( 976 PWs) bands (ev): 8.8646 8.8646 9.9015 9.9015 10.4373 10.4373 12.3975 12.3975 12.9663 12.9663 13.1780 13.1780 13.3894 13.3894 14.8257 14.8257 15.5996 15.5996 15.8253 15.8253 21.3903 21.3903 22.8777 22.8777 23.5806 23.5806 k = 0.4914 0.5000 0.3661 ( 976 PWs) bands (ev): 8.8606 8.8606 9.9015 9.9015 10.4372 10.4372 12.3959 12.3959 12.9727 12.9727 13.1875 13.1875 13.3813 13.3813 14.8257 14.8257 15.6077 15.6077 15.8280 15.8280 21.4124 21.4124 22.9770 22.9770 23.5172 23.5172 k = 0.5000 0.5000 0.3661 ( 976 PWs) bands (ev): 8.8593 8.8593 9.9015 9.9015 10.4372 10.4372 12.3953 12.3953 12.9747 12.9747 13.1911 13.1911 13.3783 13.3783 14.8256 14.8256 15.6104 15.6104 15.8289 15.8289 21.4200 21.4200 23.0212 23.0212 23.4732 23.4732 k = 0.5000 0.5000 0.3661 ( 976 PWs) bands (ev): 8.8593 8.8593 9.9015 9.9015 10.4372 10.4372 12.3953 12.3953 12.9747 12.9747 13.1911 13.1911 13.3783 13.3783 14.8256 14.8256 15.6104 15.6104 15.8289 15.8289 21.4200 21.4200 23.0212 23.0212 23.4732 23.4732 k = 0.4939 0.4939 0.3661 ( 976 PWs) bands (ev): 8.8606 8.8606 9.9015 9.9015 10.4372 10.4372 12.3959 12.3959 12.9727 12.9727 13.1874 13.1874 13.3814 13.3814 14.8257 14.8257 15.6077 15.6077 15.8280 15.8280 21.4123 21.4123 22.9776 22.9776 23.5167 23.5167 k = 0.4878 0.4878 0.3661 ( 976 PWs) bands (ev): 8.8647 8.8647 9.9015 9.9015 10.4373 10.4373 12.3975 12.3975 12.9667 12.9667 13.1772 13.1772 13.3898 13.3898 14.8257 14.8257 15.5995 15.5995 15.8253 15.8253 21.3884 21.3884 22.8841 22.8841 23.5591 23.5591 k = 0.4817 0.4817 0.3661 ( 974 PWs) bands (ev): 8.8713 8.8713 9.9016 9.9016 10.4375 10.4375 12.4002 12.4002 12.9568 12.9568 13.1623 13.1623 13.4018 13.4018 14.8259 14.8259 15.5861 15.5861 15.8208 15.8208 21.3460 21.3460 22.7843 22.7843 23.4286 23.4286 k = 0.4756 0.4756 0.3661 ( 966 PWs) bands (ev): 8.8807 8.8807 9.9016 9.9016 10.4379 10.4379 12.4039 12.4039 12.9428 12.9428 13.1443 13.1443 13.4156 13.4156 14.8262 14.8262 15.5676 15.5676 15.8148 15.8148 21.2821 21.2821 22.6973 22.6973 23.2493 23.2493 k = 0.4695 0.4695 0.3661 ( 966 PWs) bands (ev): 8.8927 8.8927 9.9017 9.9017 10.4384 10.4384 12.4085 12.4085 12.9250 12.9250 13.1243 13.1243 13.4298 13.4298 14.8264 14.8264 15.5444 15.5444 15.8067 15.8067 21.1949 21.1949 22.6293 22.6293 23.0646 23.0646 k = 0.4634 0.4634 0.3661 ( 970 PWs) bands (ev): 8.9073 8.9073 9.9016 9.9016 10.4392 10.4392 12.4139 12.4139 12.9036 12.9036 13.1032 13.1032 13.4434 13.4434 14.8263 14.8263 15.5168 15.5168 15.7967 15.7967 21.0850 21.0850 22.5750 22.5750 22.8902 22.8902 k = 0.4573 0.4573 0.3661 ( 966 PWs) bands (ev): 8.9245 8.9245 9.9014 9.9014 10.4404 10.4404 12.4199 12.4199 12.8791 12.8791 13.0814 13.0814 13.4558 13.4558 14.8263 14.8263 15.4854 15.4854 15.7851 15.7851 20.9551 20.9551 22.5046 22.5046 22.7579 22.7579 k = 0.4512 0.4512 0.3661 ( 966 PWs) bands (ev): 8.9442 8.9442 9.9011 9.9011 10.4421 10.4421 12.4264 12.4264 12.8520 12.8520 13.0586 13.0586 13.4662 13.4662 14.8261 14.8261 15.4506 15.4506 15.7716 15.7716 20.8093 20.8093 22.3739 22.3739 22.7100 22.7100 k = 0.4451 0.4451 0.3661 ( 970 PWs) bands (ev): 8.9664 8.9664 9.9005 9.9005 10.4444 10.4444 12.4328 12.4328 12.8228 12.8228 13.0347 13.0347 13.4744 13.4744 14.8257 14.8257 15.4129 15.4129 15.7564 15.7564 20.6519 20.6519 22.2029 22.2029 22.7237 22.7237 k = 0.4390 0.4390 0.3661 ( 970 PWs) bands (ev): 8.9911 8.9911 9.8996 9.8996 10.4474 10.4474 12.4388 12.4388 12.7925 12.7925 13.0097 13.0097 13.4801 13.4801 14.8250 14.8250 15.3728 15.3728 15.7396 15.7396 20.4868 20.4868 22.0199 22.0199 22.7678 22.7678 k = 0.4329 0.4329 0.3661 ( 974 PWs) bands (ev): 9.0181 9.0181 9.8985 9.8985 10.4512 10.4512 12.4436 12.4436 12.7619 12.7619 12.9833 12.9833 13.4828 13.4828 14.8239 14.8239 15.3308 15.3308 15.7211 15.7211 20.3171 20.3171 21.8339 21.8339 22.8307 22.8307 k = 0.4268 0.4268 0.3661 ( 974 PWs) bands (ev): 9.0475 9.0475 9.8970 9.8970 10.4560 10.4560 12.4462 12.4462 12.7321 12.7321 12.9556 12.9556 13.4825 13.4825 14.8223 14.8223 15.2876 15.2876 15.7010 15.7010 20.1451 20.1451 21.6480 21.6480 22.9073 22.9073 k = 0.4207 0.4207 0.3661 ( 974 PWs) bands (ev): 9.0790 9.0790 9.8952 9.8952 10.4618 10.4618 12.4449 12.4449 12.7045 12.7045 12.9265 12.9265 13.4789 13.4789 14.8201 14.8201 15.2436 15.2436 15.6796 15.6796 19.9727 19.9727 21.4634 21.4634 22.9947 22.9947 k = 0.4146 0.4146 0.3661 ( 974 PWs) bands (ev): 9.1127 9.1127 9.8930 9.8930 10.4688 10.4688 12.4381 12.4381 12.6807 12.6807 12.8963 12.8963 13.4718 13.4718 14.8174 14.8174 15.1993 15.1993 15.6567 15.6567 19.8014 19.8014 21.2807 21.2807 23.0911 23.0911 k = 0.4085 0.4085 0.3661 ( 978 PWs) bands (ev): 9.1484 9.1484 9.8904 9.8904 10.4771 10.4771 12.4238 12.4238 12.6617 12.6617 12.8654 12.8654 13.4611 13.4611 14.8139 14.8139 15.1552 15.1552 15.6324 15.6324 19.6323 19.6323 21.1004 21.1004 23.1948 23.1948 k = 0.4024 0.4024 0.3661 ( 976 PWs) bands (ev): 9.1859 9.1859 9.8874 9.8874 10.4867 10.4867 12.4012 12.4012 12.6473 12.6473 12.8349 12.8349 13.4468 13.4468 14.8098 14.8098 15.1116 15.1116 15.6069 15.6069 19.4663 19.4663 20.9225 20.9225 23.3049 23.3049 k = 0.3963 0.3963 0.3661 ( 976 PWs) bands (ev): 9.2252 9.2252 9.8842 9.8842 10.4977 10.4977 12.3707 12.3707 12.6349 12.6349 12.8070 12.8070 13.4289 13.4289 14.8047 14.8047 15.0691 15.0691 15.5802 15.5802 19.3041 19.3041 20.7473 20.7473 23.4203 23.4203 k = 0.3902 0.3902 0.3661 ( 976 PWs) bands (ev): 9.2661 9.2661 9.8807 9.8807 10.5102 10.5102 12.3336 12.3336 12.6199 12.6199 12.7846 12.7846 13.4073 13.4073 14.7986 14.7986 15.0280 15.0280 15.5523 15.5523 19.1463 19.1463 20.5749 20.5749 23.5401 23.5401 k = 0.3841 0.3841 0.3661 ( 980 PWs) bands (ev): 9.3083 9.3083 9.8771 9.8771 10.5243 10.5243 12.2910 12.2910 12.5978 12.5978 12.7710 12.7710 13.3822 13.3822 14.7914 14.7914 14.9885 14.9885 15.5234 15.5234 18.9933 18.9933 20.4054 20.4054 23.6635 23.6635 k = 0.3780 0.3780 0.3661 ( 980 PWs) bands (ev): 9.3516 9.3516 9.8735 9.8735 10.5398 10.5398 12.2440 12.2440 12.5665 12.5665 12.7671 12.7671 13.3538 13.3538 14.7831 14.7831 14.9510 14.9510 15.4934 15.4934 18.8454 18.8454 20.2389 20.2389 23.7899 23.7899 k = 0.3720 0.3720 0.3661 ( 976 PWs) bands (ev): 9.3958 9.3958 9.8702 9.8702 10.5569 10.5569 12.1934 12.1934 12.5274 12.5274 12.7709 12.7709 13.3224 13.3224 14.7736 14.7736 14.9157 14.9157 15.4624 15.4624 18.7030 18.7030 20.0754 20.0754 23.9185 23.9185 k = 0.3659 0.3659 0.3661 ( 980 PWs) bands (ev): 9.4404 9.4404 9.8672 9.8672 10.5755 10.5755 12.1392 12.1392 12.4825 12.4825 12.7796 12.7796 13.2884 13.2884 14.7628 14.7628 14.8829 14.8829 15.4304 15.4304 18.5662 18.5662 19.9150 19.9150 24.0487 24.0487 k = 0.3598 0.3598 0.3661 ( 980 PWs) bands (ev): 9.4849 9.4849 9.8651 9.8651 10.5957 10.5957 12.0819 12.0819 12.4334 12.4334 12.7911 12.7911 13.2522 13.2522 14.7506 14.7506 14.8526 14.8526 15.3977 15.3977 18.4349 18.4349 19.7577 19.7577 24.1797 24.1798 k = 0.3537 0.3537 0.3661 ( 976 PWs) bands (ev): 9.5287 9.5287 9.8643 9.8643 10.6173 10.6173 12.0215 12.0215 12.3813 12.3813 12.8040 12.8040 13.2146 13.2146 14.7370 14.7370 14.8250 14.8250 15.3642 15.3642 18.3094 18.3094 19.6036 19.6036 24.3111 24.3111 k = 0.3476 0.3476 0.3661 ( 976 PWs) bands (ev): 9.5709 9.5709 9.8655 9.8655 10.6404 10.6404 11.9581 11.9581 12.3270 12.3270 12.8168 12.8168 13.1765 13.1765 14.7219 14.7219 14.8001 14.8001 15.3300 15.3300 18.1895 18.1895 19.4526 19.4526 24.4422 24.4422 k = 0.3415 0.3415 0.3661 ( 976 PWs) bands (ev): 9.6103 9.6103 9.8696 9.8696 10.6649 10.6649 11.8918 11.8918 12.2709 12.2709 12.8283 12.8283 13.1391 13.1391 14.7057 14.7057 14.7778 14.7778 15.2950 15.2950 18.0751 18.0751 19.3048 19.3048 24.5725 24.5725 k = 0.3354 0.3354 0.3661 ( 980 PWs) bands (ev): 9.6452 9.6452 9.8779 9.8779 10.6905 10.6905 11.8227 11.8227 12.2135 12.2135 12.8370 12.8370 13.1040 13.1040 14.6886 14.6886 14.7577 14.7577 15.2594 15.2594 17.9660 17.9660 19.1601 19.1601 24.7016 24.7016 k = 0.3293 0.3293 0.3661 ( 984 PWs) bands (ev): 9.6741 9.6741 9.8918 9.8918 10.7172 10.7172 11.7513 11.7513 12.1552 12.1552 12.8408 12.8408 13.0736 13.0736 14.6711 14.6711 14.7393 14.7393 15.2232 15.2232 17.8621 17.8621 19.0187 19.0187 24.8293 24.8293 k = 0.3232 0.3232 0.3661 ( 984 PWs) bands (ev): 9.6960 9.6960 9.9118 9.9118 10.7447 10.7447 11.6780 11.6780 12.0964 12.0964 12.8372 12.8372 13.0506 13.0506 14.6538 14.6538 14.7223 14.7223 15.1865 15.1865 17.7630 17.7630 18.8804 18.8804 24.9553 24.9553 k = 0.3171 0.3171 0.3661 ( 988 PWs) bands (ev): 9.7110 9.7110 9.9372 9.9372 10.7724 10.7724 11.6033 11.6033 12.0375 12.0375 12.8246 12.8246 13.0368 13.0368 14.6367 14.6367 14.7065 14.7065 15.1492 15.1492 17.6685 17.6685 18.7452 18.7452 25.0797 25.0797 k = 0.3110 0.3110 0.3661 ( 988 PWs) bands (ev): 9.7205 9.7205 9.9661 9.9661 10.7997 10.7997 11.5282 11.5282 11.9790 11.9790 12.8037 12.8037 13.0320 13.0320 14.6204 14.6204 14.6918 14.6918 15.1116 15.1116 17.5783 17.5783 18.6131 18.6131 25.2025 25.2025 k = 0.3049 0.3049 0.3661 ( 988 PWs) bands (ev): 9.7261 9.7261 9.9961 9.9961 10.8255 10.8255 11.4541 11.4541 11.9215 11.9215 12.7769 12.7769 13.0336 13.0336 14.6047 14.6047 14.6780 14.6780 15.0735 15.0735 17.4920 17.4920 18.4841 18.4841 25.3237 25.3237 k = 0.2988 0.2988 0.3661 ( 988 PWs) bands (ev): 9.7292 9.7292 10.0250 10.0250 10.8479 10.8479 11.3830 11.3830 11.8660 11.8660 12.7472 12.7472 13.0391 13.0391 14.5898 14.5898 14.6652 14.6652 15.0351 15.0351 17.4094 17.4094 18.3581 18.3581 25.4434 25.4434 k = 0.2927 0.2927 0.3661 ( 986 PWs) bands (ev): 9.7308 9.7308 10.0506 10.0506 10.8640 10.8640 11.3184 11.3184 11.8134 11.8134 12.7165 12.7165 13.0464 13.0464 14.5757 14.5757 14.6535 14.6535 14.9964 14.9964 17.3300 17.3300 18.2350 18.2350 25.5615 25.5615 k = 0.2866 0.2866 0.3661 ( 988 PWs) bands (ev): 9.7316 9.7316 10.0710 10.0710 10.8695 10.8695 11.2645 11.2645 11.7651 11.7651 12.6863 12.6863 13.0542 13.0542 14.5625 14.5625 14.6429 14.6429 14.9572 14.9572 17.2536 17.2536 18.1148 18.1148 25.6779 25.6779 k = 0.2805 0.2805 0.3661 ( 988 PWs) bands (ev): 9.7318 9.7318 10.0841 10.0841 10.8598 10.8598 11.2261 11.2261 11.7229 11.7229 12.6574 12.6574 13.0616 13.0616 14.5504 14.5504 14.6335 14.6335 14.9180 14.9180 17.1798 17.1798 17.9974 17.9974 25.7923 25.7923 k = 0.2744 0.2744 0.3661 ( 988 PWs) bands (ev): 9.7320 9.7320 10.0878 10.0878 10.8336 10.8336 11.2048 11.2048 11.6890 11.6890 12.6302 12.6302 13.0680 13.0680 14.5393 14.5393 14.6252 14.6252 14.8787 14.8787 17.1083 17.1083 17.8827 17.8827 25.9040 25.9040 k = 0.2683 0.2683 0.3661 ( 984 PWs) bands (ev): 9.7321 9.7321 10.0800 10.0800 10.7947 10.7947 11.1967 11.1967 11.6656 11.6656 12.6051 12.6051 13.0732 13.0732 14.5294 14.5294 14.6180 14.6180 14.8393 14.8393 17.0388 17.0388 17.7707 17.7707 26.0127 26.0127 k = 0.2622 0.2622 0.3661 ( 988 PWs) bands (ev): 9.7323 9.7323 10.0590 10.0590 10.7492 10.7492 11.1954 11.1954 11.6547 11.6547 12.5824 12.5824 13.0768 13.0768 14.5208 14.5208 14.6118 14.6118 14.7996 14.7996 16.9711 16.9711 17.6612 17.6612 26.1175 26.1175 k = 0.2561 0.2561 0.3661 ( 988 PWs) bands (ev): 9.7326 9.7326 10.0238 10.0238 10.7022 10.7022 11.1963 11.1963 11.6573 11.6573 12.5620 12.5620 13.0787 13.0787 14.5137 14.5137 14.6066 14.6066 14.7602 14.7602 16.9049 16.9049 17.5541 17.5541 26.2183 26.2183 k = 0.2500 0.2500 0.3661 ( 988 PWs) bands (ev): 9.7330 9.7330 9.9748 9.9748 10.6558 10.6558 11.1976 11.1976 11.6730 11.6730 12.5442 12.5442 13.0791 13.0791 14.5079 14.5079 14.6023 14.6023 14.7210 14.7210 16.8400 16.8400 17.4494 17.4494 26.3151 26.3151 k = 0.2439 0.2439 0.3661 ( 984 PWs) bands (ev): 9.7330 9.7330 9.9137 9.9137 10.6105 10.6105 11.1994 11.1994 11.7000 11.7000 12.5290 12.5290 13.0778 13.0778 14.5035 14.5035 14.5986 14.5986 14.6824 14.6824 16.7762 16.7762 17.3469 17.3469 26.4087 26.4087 k = 0.2378 0.2378 0.3661 ( 988 PWs) bands (ev): 9.7308 9.7308 9.8443 9.8443 10.5653 10.5653 11.2029 11.2029 11.7358 11.7358 12.5164 12.5164 13.0751 13.0751 14.5000 14.5000 14.5949 14.5949 14.6451 14.6451 16.7132 16.7132 17.2466 17.2466 26.5001 26.5001 k = 0.2317 0.2317 0.3661 ( 984 PWs) bands (ev): 9.7154 9.7154 9.7803 9.7803 10.5194 10.5194 11.2094 11.2094 11.7781 11.7781 12.5066 12.5066 13.0712 13.0712 14.4967 14.4967 14.5879 14.5879 14.6137 14.6137 16.6511 16.6511 17.1484 17.1484 26.5904 26.5904 k = 0.2256 0.2256 0.3661 ( 984 PWs) bands (ev): 9.6532 9.6532 9.7570 9.7570 10.4721 10.4721 11.2193 11.2193 11.8246 11.8246 12.4996 12.4996 13.0664 13.0664 14.4911 14.4911 14.5671 14.5671 14.6007 14.6007 16.5894 16.5894 17.0523 17.0523 26.6806 26.6806 k = 0.2195 0.2195 0.3661 ( 980 PWs) bands (ev): 9.5659 9.5659 9.7546 9.7546 10.4231 10.4231 11.2328 11.2328 11.8738 11.8738 12.4956 12.4956 13.0611 13.0611 14.4775 14.4775 14.5460 14.5460 14.5983 14.5983 16.5283 16.5283 16.9581 16.9581 26.7716 26.7716 k = 0.2134 0.2134 0.3661 ( 980 PWs) bands (ev): 9.4721 9.4721 9.7561 9.7561 10.3726 10.3726 11.2494 11.2494 11.9240 11.9240 12.4948 12.4948 13.0556 13.0556 14.4515 14.4515 14.5369 14.5369 14.5980 14.5980 16.4675 16.4675 16.8657 16.8657 26.8642 26.8642 k = 0.2073 0.2073 0.3661 ( 976 PWs) bands (ev): 9.3753 9.3753 9.7588 9.7588 10.3209 10.3209 11.2689 11.2689 11.9739 11.9739 12.4974 12.4974 13.0507 13.0507 14.4177 14.4177 14.5366 14.5366 14.5990 14.5990 16.4070 16.4070 16.7752 16.7752 26.9588 26.9588 k = 0.2012 0.2012 0.3661 ( 976 PWs) bands (ev): 9.2771 9.2771 9.7621 9.7621 10.2683 10.2683 11.2906 11.2906 12.0222 12.0222 12.5036 12.5036 13.0468 13.0468 14.3805 14.3805 14.5402 14.5402 14.6008 14.6008 16.3467 16.3467 16.6865 16.6865 27.0559 27.0559 k = 0.1951 0.1951 0.3661 ( 976 PWs) bands (ev): 9.1785 9.1785 9.7657 9.7657 10.2153 10.2153 11.3140 11.3140 12.0681 12.0681 12.5135 12.5135 13.0446 13.0446 14.3419 14.3419 14.5456 14.5456 14.6035 14.6035 16.2866 16.2866 16.5995 16.5995 27.1558 27.1558 k = 0.1890 0.1890 0.3661 ( 976 PWs) bands (ev): 9.0800 9.0800 9.7694 9.7694 10.1624 10.1624 11.3388 11.3388 12.1105 12.1105 12.5271 12.5271 13.0450 13.0450 14.3026 14.3026 14.5518 14.5518 14.6072 14.6072 16.2265 16.2265 16.5143 16.5143 27.2588 27.2588 k = 0.1829 0.1829 0.3661 ( 976 PWs) bands (ev): 8.9822 8.9822 9.7729 9.7729 10.1100 10.1100 11.3644 11.3644 12.1488 12.1488 12.5442 12.5442 13.0487 13.0487 14.2631 14.2631 14.5583 14.5583 14.6118 14.6118 16.1666 16.1666 16.4308 16.4308 27.3650 27.3650 k = 0.1768 0.1768 0.3661 ( 980 PWs) bands (ev): 8.8855 8.8855 9.7759 9.7759 10.0587 10.0587 11.3905 11.3905 12.1829 12.1829 12.5641 12.5641 13.0565 13.0565 14.2232 14.2232 14.5643 14.5643 14.6175 14.6175 16.1066 16.1066 16.3491 16.3491 27.4746 27.4746 k = 0.1707 0.1707 0.3661 ( 976 PWs) bands (ev): 8.7904 8.7904 9.7779 9.7779 10.0092 10.0092 11.4168 11.4168 12.2130 12.2130 12.5858 12.5858 13.0693 13.0693 14.1836 14.1836 14.5699 14.5699 14.6243 14.6243 16.0467 16.0467 16.2693 16.2693 27.5878 27.5878 k = 0.1646 0.1646 0.3661 ( 976 PWs) bands (ev): 8.6969 8.6969 9.7781 9.7781 9.9626 9.9626 11.4431 11.4431 12.2396 12.2396 12.6083 12.6083 13.0875 13.0875 14.1439 14.1439 14.5747 14.5747 14.6318 14.6318 15.9869 15.9869 16.1913 16.1913 27.7044 27.7044 k = 0.1585 0.1585 0.3661 ( 982 PWs) bands (ev): 8.6055 8.6055 9.7744 9.7744 9.9207 9.9207 11.4689 11.4689 12.2635 12.2635 12.6304 12.6304 13.1114 13.1114 14.1043 14.1043 14.5788 14.5788 14.6397 14.6397 15.9269 15.9269 16.1153 16.1153 27.8246 27.8246 k = 0.1524 0.1524 0.3661 ( 982 PWs) bands (ev): 8.5163 8.5163 9.7636 9.7636 9.8871 9.8871 11.4943 11.4943 12.2854 12.2854 12.6516 12.6516 13.1411 13.1411 14.0650 14.0650 14.5822 14.5822 14.6477 14.6477 15.8673 15.8673 16.0414 16.0414 27.9483 27.9483 k = 0.1463 0.1463 0.3661 ( 980 PWs) bands (ev): 8.4295 8.4295 9.7423 9.7423 9.8653 9.8653 11.5189 11.5189 12.3062 12.3062 12.6715 12.6715 13.1761 13.1761 14.0259 14.0259 14.5851 14.5851 14.6555 14.6555 15.8079 15.8079 15.9697 15.9697 28.0756 28.0756 k = 0.1402 0.1402 0.3661 ( 976 PWs) bands (ev): 8.3453 8.3453 9.7111 9.7111 9.8546 9.8546 11.5426 11.5426 12.3265 12.3265 12.6902 12.6902 13.2156 13.2156 13.9873 13.9873 14.5874 14.5874 14.6627 14.6627 15.7488 15.7488 15.9003 15.9003 28.2062 28.2062 k = 0.1341 0.1341 0.3661 ( 972 PWs) bands (ev): 8.2639 8.2639 9.6745 9.6745 9.8506 9.8506 11.5653 11.5653 12.3468 12.3468 12.7080 12.7080 13.2586 13.2586 13.9491 13.9491 14.5891 14.5891 14.6688 14.6688 15.6901 15.6901 15.8334 15.8334 28.3401 28.3401 k = 0.1280 0.1280 0.3661 ( 972 PWs) bands (ev): 8.1854 8.1854 9.6359 9.6359 9.8501 9.8501 11.5868 11.5868 12.3675 12.3675 12.7251 12.7251 13.3040 13.3040 13.9117 13.9117 14.5901 14.5901 14.6737 14.6737 15.6319 15.6319 15.7691 15.7691 28.4771 28.4771 k = 0.1220 0.1220 0.3661 ( 976 PWs) bands (ev): 8.1098 8.1098 9.5970 9.5970 9.8512 9.8512 11.6071 11.6071 12.3889 12.3889 12.7421 12.7421 13.3507 13.3507 13.8754 13.8754 14.5902 14.5902 14.6770 14.6770 15.5744 15.5744 15.7077 15.7077 28.6170 28.6170 k = 0.1159 0.1159 0.3661 ( 980 PWs) bands (ev): 8.0374 8.0374 9.5588 9.5588 9.8530 9.8530 11.6262 11.6262 12.4113 12.4113 12.7593 12.7593 13.3973 13.3973 13.8410 13.8410 14.5893 14.5893 14.6786 14.6786 15.5176 15.5176 15.6495 15.6495 28.7594 28.7594 k = 0.1098 0.1098 0.3661 ( 980 PWs) bands (ev): 7.9682 7.9682 9.5218 9.5218 9.8551 9.8551 11.6441 11.6441 12.4349 12.4349 12.7768 12.7768 13.4420 13.4420 13.8098 13.8098 14.5871 14.5871 14.6786 14.6786 15.4617 15.4617 15.5947 15.5947 28.9039 28.9039 k = 0.1037 0.1037 0.3661 ( 980 PWs) bands (ev): 7.9023 7.9023 9.4862 9.4862 9.8573 9.8573 11.6607 11.6607 12.4598 12.4598 12.7950 12.7950 13.4820 13.4820 13.7841 13.7841 14.5831 14.5831 14.6772 14.6772 15.4067 15.4067 15.5437 15.5437 29.0501 29.0501 k = 0.0976 0.0976 0.3661 ( 980 PWs) bands (ev): 7.8398 7.8398 9.4523 9.4523 9.8594 9.8594 11.6762 11.6762 12.4861 12.4861 12.8138 12.8138 13.5126 13.5126 13.7682 13.7682 14.5766 14.5766 14.6746 14.6746 15.3523 15.3523 15.4971 15.4971 29.1974 29.1974 k = 0.0915 0.0915 0.3661 ( 980 PWs) bands (ev): 7.7808 7.7808 9.4201 9.4201 9.8614 9.8614 11.6905 11.6905 12.5136 12.5136 12.8333 12.8333 13.5278 13.5278 13.7677 13.7677 14.5672 14.5672 14.6714 14.6714 15.2986 15.2986 15.4552 15.4552 29.3450 29.3450 k = 0.0854 0.0854 0.3661 ( 980 PWs) bands (ev): 7.7252 7.7252 9.3898 9.3898 9.8631 9.8631 11.7037 11.7037 12.5425 12.5425 12.8535 12.8535 13.5247 13.5247 13.7855 13.7855 14.5541 14.5541 14.6680 14.6680 15.2453 15.2453 15.4183 15.4183 29.4921 29.4921 k = 0.0793 0.0793 0.3661 ( 978 PWs) bands (ev): 7.6733 7.6733 9.3614 9.3614 9.8646 9.8646 11.7158 11.7158 12.5726 12.5726 12.8742 12.8742 13.5070 13.5070 13.8175 13.8175 14.5373 14.5373 14.6650 14.6650 15.1925 15.1925 15.3864 15.3864 29.6377 29.6377 k = 0.0732 0.0732 0.3661 ( 978 PWs) bands (ev): 7.6250 7.6250 9.3349 9.3349 9.8658 9.8658 11.7271 11.7271 12.6038 12.6038 12.8953 12.8953 13.4806 13.4806 13.8579 13.8579 14.5168 14.5168 14.6626 14.6626 15.1400 15.1400 15.3594 15.3594 29.7803 29.7803 k = 0.0671 0.0671 0.3661 ( 974 PWs) bands (ev): 7.5804 7.5804 9.3105 9.3105 9.8669 9.8669 11.7373 11.7373 12.6362 12.6362 12.9167 12.9167 13.4493 13.4493 13.9025 13.9025 14.4933 14.4933 14.6608 14.6608 15.0881 15.0881 15.3368 15.3368 29.9187 29.9187 k = 0.0610 0.0610 0.3661 ( 974 PWs) bands (ev): 7.5396 7.5396 9.2881 9.2881 9.8677 9.8677 11.7467 11.7467 12.6694 12.6694 12.9381 12.9381 13.4153 13.4153 13.9493 13.9493 14.4673 14.4673 14.6594 14.6594 15.0367 15.0367 15.3184 15.3184 30.0512 30.0512 k = 0.0549 0.0549 0.3661 ( 974 PWs) bands (ev): 7.5025 7.5025 9.2677 9.2677 9.8683 9.8683 11.7552 11.7552 12.7034 12.7034 12.9591 12.9591 13.3797 13.3797 13.9968 13.9968 14.4400 14.4400 14.6585 14.6585 14.9861 14.9861 15.3035 15.3035 30.1759 30.1759 k = 0.0488 0.0488 0.3661 ( 970 PWs) bands (ev): 7.4692 7.4692 9.2495 9.2495 9.8687 9.8687 11.7629 11.7629 12.7382 12.7382 12.9796 12.9796 13.3432 13.3432 14.0444 14.0444 14.4122 14.4122 14.6577 14.6577 14.9365 14.9365 15.2917 15.2917 30.2912 30.2912 k = 0.0427 0.0427 0.3661 ( 974 PWs) bands (ev): 7.4398 7.4398 9.2333 9.2333 9.8690 9.8690 11.7697 11.7697 12.7735 12.7735 12.9990 12.9990 13.3061 13.3061 14.0915 14.0915 14.3848 14.3848 14.6570 14.6570 14.8880 14.8880 15.2823 15.2823 30.3953 30.3953 k = 0.0366 0.0366 0.3661 ( 974 PWs) bands (ev): 7.4142 7.4142 9.2192 9.2192 9.8692 9.8692 11.7756 11.7756 12.8093 12.8093 13.0171 13.0171 13.2689 13.2689 14.1375 14.1375 14.3589 14.3589 14.6561 14.6561 14.8413 14.8413 15.2750 15.2750 30.4868 30.4868 k = 0.0305 0.0305 0.3661 ( 974 PWs) bands (ev): 7.3926 7.3926 9.2073 9.2073 9.8693 9.8693 11.7807 11.7807 12.8455 12.8455 13.0333 13.0333 13.2316 13.2316 14.1819 14.1819 14.3352 14.3352 14.6549 14.6549 14.7970 14.7970 15.2695 15.2695 30.5647 30.5647 k = 0.0244 0.0244 0.3661 ( 976 PWs) bands (ev): 7.3748 7.3748 9.1976 9.1976 9.8694 9.8694 11.7849 11.7849 12.8819 12.8819 13.0470 13.0470 13.1946 13.1946 14.2238 14.2238 14.3145 14.3145 14.6525 14.6525 14.7565 14.7565 15.2654 15.2654 30.6285 30.6285 k = 0.0183 0.0183 0.3661 ( 976 PWs) bands (ev): 7.3610 7.3610 9.1900 9.1900 9.8694 9.8694 11.7882 11.7882 12.9183 12.9183 13.0574 13.0574 13.1585 13.1585 14.2617 14.2617 14.2977 14.2977 14.6480 14.6480 14.7225 14.7225 15.2624 15.2624 30.6779 30.6779 k = 0.0122 0.0122 0.3661 ( 976 PWs) bands (ev): 7.3511 7.3511 9.1846 9.1846 9.8694 9.8694 11.7905 11.7905 12.9542 12.9542 13.0628 13.0628 13.1252 13.1252 14.2850 14.2850 14.2935 14.2935 14.6397 14.6397 14.6987 14.6987 15.2604 15.2604 30.7130 30.7130 k = 0.0061 0.0061 0.3661 ( 976 PWs) bands (ev): 7.3452 7.3452 9.1813 9.1813 9.8694 9.8694 11.7919 11.7919 12.9881 12.9881 13.0577 13.0577 13.1014 13.1014 14.2774 14.2774 14.3152 14.3152 14.6294 14.6294 14.6869 14.6869 15.2593 15.2593 30.7339 30.7339 k = 0.0000 0.0000 0.3661 ( 984 PWs) bands (ev): 7.3432 7.3432 9.1802 9.1802 9.8694 9.8694 11.7924 11.7924 13.0086 13.0086 13.0454 13.0454 13.0947 13.0947 14.2748 14.2748 14.3231 14.3231 14.6245 14.6245 14.6835 14.6835 15.2588 15.2588 30.7409 30.7409 k = 0.0000 0.5000-0.0000 ( 1000 PWs) bands (ev): 8.8748 8.8748 10.0314 10.0314 10.6760 10.6760 11.4110 11.4110 12.2891 12.2891 13.2277 13.2277 13.4071 13.4071 13.5223 13.5223 14.4723 14.4723 14.8641 14.8641 16.7602 16.7602 17.1857 17.1857 25.7473 25.7473 k = 0.0000 0.5000 0.0085 ( 996 PWs) bands (ev): 8.8747 8.8747 10.0282 10.0282 10.6745 10.6745 11.4179 11.4179 12.2884 12.2884 13.2287 13.2287 13.4074 13.4074 13.5195 13.5195 14.4757 14.4757 14.8655 14.8655 16.7597 16.7597 17.1851 17.1851 25.7249 25.7249 k = 0.0000 0.5000 0.0170 ( 996 PWs) bands (ev): 8.8745 8.8745 10.0187 10.0187 10.6707 10.6707 11.4380 11.4380 12.2861 12.2861 13.2314 13.2314 13.4084 13.4084 13.5114 13.5114 14.4857 14.4857 14.8691 14.8691 16.7582 16.7582 17.1835 17.1835 25.6593 25.6593 k = 0.0000 0.5000 0.0255 ( 996 PWs) bands (ev): 8.8740 8.8740 10.0029 10.0029 10.6655 10.6655 11.4701 11.4701 12.2823 12.2823 13.2358 13.2358 13.4098 13.4098 13.4986 13.4986 14.5019 14.5019 14.8751 14.8751 16.7556 16.7556 17.1807 17.1807 25.5551 25.5551 k = 0.0000 0.5000 0.0341 ( 992 PWs) bands (ev): 8.8735 8.8735 9.9811 9.9811 10.6606 10.6606 11.5125 11.5125 12.2772 12.2772 13.2417 13.2417 13.4111 13.4111 13.4825 13.4825 14.5237 14.5237 14.8836 14.8836 16.7521 16.7521 17.1767 17.1767 25.4191 25.4191 k = 0.0000 0.5000 0.0426 ( 988 PWs) bands (ev): 8.8727 8.8727 9.9535 9.9535 10.6572 10.6572 11.5632 11.5632 12.2710 12.2710 13.2490 13.2490 13.4103 13.4103 13.4659 13.4659 14.5504 14.5504 14.8944 14.8944 16.7475 16.7475 17.1716 17.1716 25.2585 25.2585 k = 0.0000 0.5000 0.0511 ( 988 PWs) bands (ev): 8.8717 8.8717 9.9207 9.9207 10.6565 10.6565 11.6206 11.6206 12.2639 12.2639 13.2569 13.2569 13.4034 13.4034 13.4540 13.4540 14.5812 14.5812 14.9073 14.9073 16.7418 16.7418 17.1652 17.1652 25.0802 25.0802 k = 0.0000 0.5000 0.0596 ( 986 PWs) bands (ev): 8.8705 8.8705 9.8833 9.8833 10.6591 10.6591 11.6830 11.6830 12.2563 12.2563 13.2643 13.2643 13.3883 13.3883 13.4510 13.4510 14.6154 14.6154 14.9222 14.9222 16.7350 16.7350 17.1576 17.1576 24.8898 24.8898 k = 0.0000 0.5000 0.0681 ( 986 PWs) bands (ev): 8.8690 8.8690 9.8420 9.8420 10.6654 10.6654 11.7487 11.7487 12.2488 12.2488 13.2680 13.2680 13.3711 13.3711 13.4542 13.4542 14.6524 14.6524 14.9391 14.9391 16.7269 16.7269 17.1487 17.1487 24.6915 24.6915 k = 0.0000 0.5000 0.0766 ( 986 PWs) bands (ev): 8.8673 8.8673 9.7976 9.7976 10.6755 10.6755 11.8161 11.8161 12.2425 12.2425 13.2626 13.2626 13.3610 13.3610 13.4606 13.4606 14.6915 14.6915 14.9579 14.9579 16.7176 16.7176 17.1384 17.1384 24.4884 24.4884 k = 0.0000 0.5000 0.0851 ( 988 PWs) bands (ev): 8.8653 8.8653 9.7508 9.7508 10.6892 10.6892 11.8828 11.8828 12.2392 12.2392 13.2445 13.2445 13.3633 13.3633 13.4687 13.4687 14.7323 14.7323 14.9784 14.9784 16.7070 16.7070 17.1266 17.1266 24.2827 24.2827 k = 0.0000 0.5000 0.0936 ( 988 PWs) bands (ev): 8.8630 8.8630 9.7024 9.7024 10.7064 10.7064 11.9450 11.9450 12.2421 12.2421 13.2173 13.2173 13.3754 13.3754 13.4781 13.4781 14.7743 14.7743 15.0005 15.0005 16.6950 16.6950 17.1132 17.1132 24.0762 24.0762 k = 0.0000 0.5000 0.1022 ( 988 PWs) bands (ev): 8.8604 8.8604 9.6527 9.6527 10.7270 10.7270 11.9966 11.9966 12.2570 12.2570 13.1855 13.1855 13.3933 13.3933 13.4886 13.4886 14.8171 14.8171 15.0240 15.0240 16.6815 16.6815 17.0983 17.0983 23.8701 23.8701 k = 0.0000 0.5000 0.1107 ( 992 PWs) bands (ev): 8.8575 8.8575 9.6024 9.6024 10.7506 10.7506 12.0310 12.0310 12.2903 12.2903 13.1516 13.1516 13.4149 13.4149 13.4999 13.4999 14.8604 14.8604 15.0487 15.0487 16.6665 16.6665 17.0815 17.0815 23.6655 23.6655 k = 0.0000 0.5000 0.1192 ( 992 PWs) bands (ev): 8.8542 8.8542 9.5519 9.5519 10.7771 10.7771 12.0467 12.0467 12.3431 12.3431 13.1169 13.1169 13.4394 13.4394 13.5120 13.5120 14.9038 14.9038 15.0748 15.0748 16.6499 16.6499 17.0630 17.0630 23.4632 23.4632 k = 0.0000 0.5000 0.1277 ( 992 PWs) bands (ev): 8.8506 8.8506 9.5016 9.5016 10.8062 10.8062 12.0489 12.0489 12.4101 12.4101 13.0820 13.0820 13.4663 13.4663 13.5248 13.5248 14.9472 14.9472 15.1019 15.1019 16.6316 16.6316 17.0425 17.0425 23.2639 23.2639 k = 0.0000 0.5000 0.1362 ( 988 PWs) bands (ev): 8.8467 8.8467 9.4517 9.4517 10.8377 10.8377 12.0432 12.0432 12.4854 12.4854 13.0475 13.0475 13.4954 13.4954 13.5386 13.5386 14.9902 14.9902 15.1299 15.1299 16.6115 16.6115 17.0200 17.0200 23.0682 23.0682 k = 0.0000 0.5000 0.1447 ( 988 PWs) bands (ev): 8.8424 8.8424 9.4025 9.4025 10.8714 10.8714 12.0331 12.0331 12.5651 12.5651 13.0139 13.0139 13.5259 13.5259 13.5535 13.5535 15.0326 15.0326 15.1588 15.1588 16.5894 16.5894 16.9953 16.9953 22.8765 22.8765 k = 0.0000 0.5000 0.1532 ( 980 PWs) bands (ev): 8.8378 8.8378 9.3543 9.3543 10.9070 10.9070 12.0208 12.0208 12.6466 12.6466 12.9821 12.9821 13.5547 13.5547 13.5732 13.5732 15.0743 15.0743 15.1884 15.1884 16.5653 16.5653 16.9682 16.9682 22.6895 22.6895 k = 0.0000 0.5000 0.1617 ( 980 PWs) bands (ev): 8.8329 8.8329 9.3072 9.3072 10.9442 10.9442 12.0071 12.0071 12.7273 12.7273 12.9534 12.9534 13.5748 13.5748 13.6040 13.6040 15.1148 15.1148 15.2184 15.2184 16.5391 16.5391 16.9388 16.9388 22.5074 22.5074 k = 0.0000 0.5000 0.1703 ( 978 PWs) bands (ev): 8.8277 8.8277 9.2614 9.2614 10.9828 10.9828 11.9929 11.9929 12.8001 12.8001 12.9344 12.9344 13.5906 13.5906 13.6419 13.6419 15.1541 15.1541 15.2491 15.2491 16.5107 16.5107 16.9068 16.9068 22.3309 22.3309 k = 0.0000 0.5000 0.1788 ( 966 PWs) bands (ev): 8.8223 8.8223 9.2172 9.2172 11.0224 11.0224 11.9786 11.9786 12.8382 12.8382 12.9514 12.9514 13.6058 13.6058 13.6836 13.6836 15.1920 15.1920 15.2801 15.2801 16.4800 16.4800 16.8723 16.8723 22.1601 22.1601 k = 0.0000 0.5000 0.1873 ( 966 PWs) bands (ev): 8.8165 8.8165 9.1745 9.1745 11.0627 11.0627 11.9645 11.9645 12.8298 12.8298 13.0158 13.0158 13.6206 13.6206 13.7283 13.7283 15.2283 15.2283 15.3111 15.3111 16.4468 16.4468 16.8350 16.8350 21.9956 21.9956 k = 0.0000 0.5000 0.1958 ( 970 PWs) bands (ev): 8.8104 8.8104 9.1335 9.1335 11.1033 11.1033 11.9508 11.9508 12.8079 12.8079 13.0942 13.0942 13.6353 13.6353 13.7763 13.7763 15.2628 15.2628 15.3420 15.3420 16.4111 16.4111 16.7949 16.7949 21.8375 21.8375 k = 0.0000 0.5000 0.2043 ( 974 PWs) bands (ev): 8.8040 8.8040 9.0944 9.0944 11.1439 11.1439 11.9379 11.9379 12.7839 12.7839 13.1750 13.1750 13.6497 13.6497 13.8277 13.8277 15.2957 15.2957 15.3727 15.3727 16.3730 16.3730 16.7519 16.7519 21.6864 21.6864 k = 0.0000 0.5000 0.2128 ( 974 PWs) bands (ev): 8.7973 8.7973 9.0573 9.0573 11.1841 11.1841 11.9259 11.9259 12.7602 12.7602 13.2556 13.2556 13.6640 13.6640 13.8827 13.8827 15.3269 15.3269 15.4029 15.4029 16.3323 16.3323 16.7062 16.7062 21.5424 21.5424 k = 0.0000 0.5000 0.2213 ( 974 PWs) bands (ev): 8.7903 8.7903 9.0223 9.0223 11.2233 11.2233 11.9150 11.9150 12.7376 12.7376 13.3351 13.3351 13.6780 13.6780 13.9414 13.9414 15.3563 15.3563 15.4322 15.4322 16.2892 16.2892 16.6575 16.6575 21.4058 21.4058 k = 0.0000 0.5000 0.2299 ( 972 PWs) bands (ev): 8.7828 8.7828 8.9897 8.9897 11.2613 11.2613 11.9054 11.9054 12.7165 12.7165 13.4129 13.4129 13.6918 13.6918 14.0038 14.0038 15.3840 15.3840 15.4604 15.4604 16.2437 16.2437 16.6060 16.6060 21.2769 21.2769 k = 0.0000 0.5000 0.2384 ( 972 PWs) bands (ev): 8.7750 8.7750 8.9594 8.9594 11.2974 11.2974 11.8974 11.8974 12.6970 12.6970 13.4889 13.4889 13.7050 13.7050 14.0700 14.0700 15.4098 15.4098 15.4870 15.4870 16.1960 16.1960 16.5518 16.5518 21.1557 21.1557 k = 0.0000 0.5000 0.2469 ( 972 PWs) bands (ev): 8.7666 8.7666 8.9318 8.9318 11.3313 11.3313 11.8910 11.8910 12.6792 12.6792 13.5629 13.5629 13.7179 13.7179 14.1396 14.1396 15.4338 15.4338 15.5118 15.5118 16.1464 16.1464 16.4950 16.4950 21.0426 21.0426 k = 0.0000 0.5000 0.2554 ( 972 PWs) bands (ev): 8.7576 8.7576 8.9069 8.9069 11.3625 11.3625 11.8863 11.8863 12.6633 12.6633 13.6349 13.6349 13.7303 13.7303 14.2125 14.2125 15.4557 15.4557 15.5343 15.5343 16.0956 16.0956 16.4357 16.4357 20.9376 20.9376 k = 0.0000 0.5000 0.2639 ( 968 PWs) bands (ev): 8.7479 8.7479 8.8849 8.8849 11.3908 11.3908 11.8834 11.8834 12.6492 12.6492 13.7042 13.7042 13.7431 13.7431 14.2883 14.2883 15.4754 15.4754 15.5541 15.5541 16.0442 16.0442 16.3742 16.3742 20.8407 20.8407 k = 0.0000 0.5000 0.2724 ( 972 PWs) bands (ev): 8.7375 8.7375 8.8658 8.8658 11.4158 11.4158 11.8823 11.8823 12.6369 12.6369 13.7489 13.7489 13.7779 13.7779 14.3664 14.3664 15.4919 15.4919 15.5707 15.5707 15.9934 15.9934 16.3107 16.3107 20.7519 20.7519 k = 0.0000 0.5000 0.2809 ( 972 PWs) bands (ev): 8.7267 8.7267 8.8497 8.8497 11.4375 11.4375 11.8829 11.8829 12.6265 12.6265 13.7609 13.7609 13.8433 13.8433 14.4464 14.4464 15.5045 15.5045 15.5837 15.5837 15.9451 15.9451 16.2455 16.2455 20.6714 20.6714 k = 0.0000 0.5000 0.2894 ( 972 PWs) bands (ev): 8.7156 8.7156 8.8362 8.8362 11.4558 11.4558 11.8849 11.8849 12.6177 12.6177 13.7706 13.7706 13.9087 13.9087 14.5276 14.5276 15.5110 15.5110 15.5931 15.5931 15.9014 15.9014 16.1791 16.1791 20.5989 20.5989 k = 0.0000 0.5000 0.2980 ( 972 PWs) bands (ev): 8.7045 8.7045 8.8250 8.8250 11.4710 11.4710 11.8881 11.8881 12.6106 12.6106 13.7791 13.7791 13.9725 13.9725 14.6095 14.6095 15.5085 15.5085 15.5998 15.5998 15.8649 15.8649 16.1121 16.1121 20.5345 20.5345 k = 0.0000 0.5000 0.3065 ( 972 PWs) bands (ev): 8.6939 8.6939 8.8160 8.8160 11.4832 11.4832 11.8920 11.8920 12.6050 12.6050 13.7868 13.7868 14.0341 14.0341 14.6913 14.6913 15.4941 15.4941 15.6057 15.6057 15.8373 15.8373 16.0452 16.0452 20.4780 20.4780 k = 0.0000 0.5000 0.3150 ( 972 PWs) bands (ev): 8.6840 8.6840 8.8087 8.8087 11.4929 11.4929 11.8963 11.8963 12.6006 12.6006 13.7935 13.7935 14.0928 14.0928 14.7722 14.7722 15.4675 15.4675 15.6117 15.6117 15.8180 15.8180 15.9799 15.9799 20.4293 20.4293 k = 0.0000 0.5000 0.3235 ( 968 PWs) bands (ev): 8.6753 8.6753 8.8030 8.8030 11.5003 11.5003 11.9006 11.9006 12.5974 12.5974 13.7994 13.7994 14.1475 14.1475 14.8512 14.8512 15.4320 15.4320 15.6176 15.6176 15.8036 15.8036 15.9190 15.9190 20.3884 20.3884 k = 0.0000 0.5000 0.3320 ( 968 PWs) bands (ev): 8.6678 8.6678 8.7985 8.7985 11.5058 11.5058 11.9045 11.9045 12.5951 12.5951 13.8040 13.8040 14.1967 14.1967 14.9271 14.9271 15.3919 15.3919 15.6228 15.6228 15.7869 15.7869 15.8689 15.8689 20.3551 20.3551 k = 0.0000 0.5000 0.3405 ( 968 PWs) bands (ev): 8.6619 8.6619 8.7952 8.7952 11.5098 11.5098 11.9079 11.9079 12.5935 12.5935 13.8077 13.8077 14.2384 14.2384 14.9978 14.9978 15.3511 15.3511 15.6266 15.6266 15.7584 15.7584 15.8398 15.8398 20.3293 20.3293 k = 0.0000 0.5000 0.3490 ( 968 PWs) bands (ev): 8.6575 8.6575 8.7928 8.7928 11.5124 11.5124 11.9104 11.9104 12.5925 12.5925 13.8104 13.8104 14.2706 14.2706 15.0604 15.0604 15.3126 15.3126 15.6284 15.6284 15.7239 15.7239 15.8287 15.8287 20.3110 20.3110 k = 0.0000 0.5000 0.3575 ( 972 PWs) bands (ev): 8.6548 8.6548 8.7914 8.7914 11.5139 11.5139 11.9119 11.9119 12.5919 12.5919 13.8119 13.8119 14.2910 14.2910 15.1090 15.1090 15.2806 15.2806 15.6279 15.6279 15.6986 15.6986 15.8250 15.8250 20.3000 20.3000 k = 0.0000 0.5000 0.3661 ( 972 PWs) bands (ev): 8.6540 8.6540 8.7910 8.7910 11.5144 11.5144 11.9125 11.9125 12.5917 12.5917 13.8125 13.8125 14.2981 14.2981 15.1295 15.1295 15.2660 15.2660 15.6271 15.6271 15.6898 15.6898 15.8240 15.8240 20.2963 20.2963 k = 0.5000 0.5000-0.0000 ( 944 PWs) bands (ev): 8.2773 8.2773 9.4238 9.4238 9.9607 9.9607 10.1808 10.1808 15.3117 15.3117 15.3469 15.3469 15.7870 15.7870 15.8130 15.8130 16.0751 16.0751 16.1961 16.1961 16.3665 16.3665 17.3256 17.3256 23.1002 23.1002 k = 0.5000 0.5000 0.0085 ( 944 PWs) bands (ev): 8.2780 8.2780 9.4245 9.4245 9.9611 9.9611 10.1823 10.1823 15.3109 15.3109 15.3421 15.3421 15.7846 15.7846 15.8115 15.8115 16.0427 16.0427 16.1848 16.1848 16.4053 16.4053 17.3409 17.3409 23.1003 23.1003 k = 0.5000 0.5000 0.0170 ( 940 PWs) bands (ev): 8.2800 8.2800 9.4264 9.4264 9.9626 9.9626 10.1869 10.1869 15.3085 15.3085 15.3275 15.3275 15.7771 15.7771 15.8058 15.8058 15.9761 15.9761 16.1532 16.1532 16.4928 16.4928 17.3850 17.3850 23.1005 23.1005 k = 0.5000 0.5000 0.0255 ( 940 PWs) bands (ev): 8.2835 8.2835 9.4296 9.4296 9.9649 9.9649 10.1945 10.1945 15.3024 15.3024 15.3042 15.3042 15.7633 15.7633 15.7905 15.7905 15.9107 15.9107 16.1071 16.1071 16.5996 16.5996 17.4531 17.4531 23.1007 23.1007 k = 0.5000 0.5000 0.0341 ( 940 PWs) bands (ev): 8.2883 8.2883 9.4341 9.4341 9.9682 9.9682 10.2052 10.2052 15.2656 15.2656 15.2977 15.2977 15.7415 15.7415 15.7548 15.7548 15.8686 15.8686 16.0541 16.0541 16.7155 16.7155 17.5399 17.5399 23.1011 23.1011 k = 0.5000 0.5000 0.0426 ( 948 PWs) bands (ev): 8.2944 8.2944 9.4397 9.4397 9.9724 9.9724 10.2190 10.2190 15.2163 15.2163 15.2884 15.2884 15.7021 15.7021 15.7094 15.7094 15.8507 15.8507 16.0017 16.0017 16.8367 16.8367 17.6407 17.6407 23.1016 23.1016 k = 0.5000 0.5000 0.0511 ( 948 PWs) bands (ev): 8.3018 8.3018 9.4465 9.4465 9.9776 9.9776 10.2359 10.2359 15.1551 15.1551 15.2754 15.2754 15.6477 15.6477 15.6658 15.6658 15.8433 15.8433 15.9559 15.9559 16.9617 16.9617 17.7520 17.7520 23.1023 23.1023 k = 0.5000 0.5000 0.0596 ( 948 PWs) bands (ev): 8.3106 8.3106 9.4545 9.4545 9.9837 9.9837 10.2559 10.2559 15.0833 15.0833 15.2570 15.2570 15.5976 15.5976 15.6124 15.6124 15.8395 15.8395 15.9189 15.9189 17.0896 17.0896 17.8712 17.8712 23.1031 23.1031 k = 0.5000 0.5000 0.0681 ( 948 PWs) bands (ev): 8.3206 8.3206 9.4635 9.4635 9.9906 9.9906 10.2791 10.2791 15.0034 15.0034 15.2308 15.2308 15.5521 15.5521 15.5543 15.5543 15.8372 15.8372 15.8899 15.8899 17.2199 17.2199 17.9967 17.9967 23.1041 23.1041 k = 0.5000 0.5000 0.0766 ( 948 PWs) bands (ev): 8.3318 8.3318 9.4734 9.4734 9.9985 9.9985 10.3055 10.3055 14.9177 14.9177 15.1936 15.1936 15.4983 15.4983 15.5099 15.5099 15.8357 15.8357 15.8665 15.8665 17.3522 17.3522 18.1273 18.1273 23.1054 23.1054 k = 0.5000 0.5000 0.0851 ( 948 PWs) bands (ev): 8.3442 8.3442 9.4843 9.4843 10.0072 10.0072 10.3350 10.3350 14.8282 14.8282 15.1429 15.1429 15.4501 15.4501 15.4693 15.4693 15.8346 15.8346 15.8467 15.8467 17.4863 17.4863 18.2619 18.2619 23.1068 23.1068 k = 0.5000 0.5000 0.0936 ( 948 PWs) bands (ev): 8.3577 8.3577 9.4961 9.4961 10.0168 10.0168 10.3678 10.3678 14.7366 14.7366 15.0786 15.0786 15.4117 15.4117 15.4293 15.4293 15.8290 15.8290 15.8337 15.8337 17.6219 17.6219 18.3999 18.3999 23.1085 23.1085 k = 0.5000 0.5000 0.1022 ( 948 PWs) bands (ev): 8.3722 8.3722 9.5086 9.5086 10.0272 10.0272 10.4038 10.4038 14.6441 14.6441 15.0036 15.0036 15.3816 15.3816 15.3888 15.3888 15.8127 15.8127 15.8330 15.8330 17.7590 17.7590 18.5409 18.5409 23.1105 23.1105 k = 0.5000 0.5000 0.1107 ( 968 PWs) bands (ev): 8.3877 8.3877 9.5217 9.5217 10.0383 10.0383 10.4428 10.4428 14.5512 14.5512 14.9212 14.9212 15.3470 15.3470 15.3570 15.3570 15.7972 15.7972 15.8323 15.8323 17.8972 17.8972 18.6845 18.6845 23.1128 23.1128 k = 0.5000 0.5000 0.1192 ( 968 PWs) bands (ev): 8.4043 8.4043 9.5356 9.5356 10.0503 10.0503 10.4852 10.4852 14.4591 14.4591 14.8348 14.8348 15.3037 15.3037 15.3359 15.3359 15.7825 15.7825 15.8318 15.8318 18.0366 18.0366 18.8304 18.8304 23.1155 23.1155 k = 0.5000 0.5000 0.1277 ( 968 PWs) bands (ev): 8.4217 8.4217 9.5500 9.5500 10.0631 10.0631 10.5308 10.5308 14.3679 14.3679 14.7464 14.7464 15.2585 15.2585 15.3166 15.3166 15.7684 15.7684 15.8314 15.8314 18.1770 18.1770 18.9783 18.9783 23.1186 23.1186 k = 0.5000 0.5000 0.1362 ( 976 PWs) bands (ev): 8.4399 8.4399 9.5650 9.5650 10.0766 10.0766 10.5795 10.5795 14.2779 14.2779 14.6572 14.6572 15.2110 15.2110 15.2977 15.2977 15.7548 15.7548 15.8306 15.8306 18.3183 18.3183 19.1280 19.1280 23.1222 23.1222 k = 0.5000 0.5000 0.1447 ( 984 PWs) bands (ev): 8.4587 8.4587 9.5803 9.5803 10.0906 10.0906 10.6313 10.6313 14.1894 14.1894 14.5680 14.5680 15.1611 15.1611 15.2791 15.2791 15.7417 15.7417 15.8303 15.8303 18.4603 18.4603 19.2793 19.2793 23.1262 23.1262 k = 0.5000 0.5000 0.1532 ( 984 PWs) bands (ev): 8.4783 8.4783 9.5961 9.5961 10.1054 10.1054 10.6862 10.6862 14.1029 14.1029 14.4797 14.4797 15.1088 15.1088 15.2601 15.2601 15.7294 15.7294 15.8301 15.8301 18.6029 18.6029 19.4321 19.4321 23.1308 23.1308 k = 0.5000 0.5000 0.1617 ( 984 PWs) bands (ev): 8.4984 8.4984 9.6122 9.6122 10.1207 10.1207 10.7441 10.7441 14.0183 14.0183 14.3926 14.3926 15.0539 15.0539 15.2405 15.2405 15.7176 15.7176 15.8298 15.8298 18.7460 18.7460 19.5863 19.5863 23.1361 23.1361 k = 0.5000 0.5000 0.1703 ( 984 PWs) bands (ev): 8.5189 8.5189 9.6286 9.6286 10.1366 10.1366 10.8050 10.8050 13.9358 13.9358 14.3071 14.3071 14.9963 14.9963 15.2202 15.2202 15.7066 15.7066 15.8297 15.8297 18.8894 18.8894 19.7418 19.7418 23.1419 23.1419 k = 0.5000 0.5000 0.1788 ( 984 PWs) bands (ev): 8.5398 8.5398 9.6451 9.6451 10.1530 10.1530 10.8686 10.8686 13.8556 13.8556 14.2234 14.2234 14.9362 14.9362 15.1992 15.1992 15.6962 15.6962 15.8295 15.8295 19.0330 19.0330 19.8983 19.8983 23.1485 23.1485 k = 0.5000 0.5000 0.1873 ( 984 PWs) bands (ev): 8.5609 8.5609 9.6618 9.6618 10.1698 10.1698 10.9351 10.9351 13.7779 13.7779 14.1417 14.1417 14.8734 14.8734 15.1775 15.1775 15.6866 15.6866 15.8294 15.8294 19.1767 19.1767 20.0558 20.0558 23.1559 23.1559 k = 0.5000 0.5000 0.1958 ( 992 PWs) bands (ev): 8.5822 8.5822 9.6786 9.6786 10.1869 10.1869 11.0041 11.0041 13.7025 13.7025 14.0623 14.0623 14.8079 14.8079 15.1549 15.1549 15.6777 15.6777 15.8292 15.8292 19.3202 19.3202 20.2142 20.2142 23.1641 23.1641 k = 0.5000 0.5000 0.2043 ( 984 PWs) bands (ev): 8.6035 8.6035 9.6953 9.6953 10.2043 10.2043 11.0757 11.0757 13.6300 13.6300 13.9854 13.9854 14.7399 14.7399 15.1324 15.1324 15.6697 15.6697 15.8291 15.8291 19.4633 19.4633 20.3734 20.3734 23.1732 23.1732 k = 0.5000 0.5000 0.2128 ( 984 PWs) bands (ev): 8.6247 8.6247 9.7120 9.7120 10.2218 10.2218 11.1496 11.1496 13.5603 13.5603 13.9111 13.9111 14.6695 14.6695 15.1091 15.1091 15.6622 15.6622 15.8290 15.8290 19.6059 19.6059 20.5332 20.5332 23.1832 23.1832 k = 0.5000 0.5000 0.2213 ( 984 PWs) bands (ev): 8.6456 8.6456 9.7285 9.7285 10.2395 10.2395 11.2257 11.2257 13.4935 13.4935 13.8395 13.8395 14.5966 14.5966 15.0855 15.0855 15.6555 15.6555 15.8290 15.8290 19.7476 19.7476 20.6935 20.6935 23.1943 23.1943 k = 0.5000 0.5000 0.2299 ( 984 PWs) bands (ev): 8.6663 8.6663 9.7448 9.7448 10.2571 10.2571 11.3038 11.3038 13.4298 13.4298 13.7709 13.7709 14.5215 14.5215 15.0620 15.0620 15.6493 15.6493 15.8289 15.8289 19.8882 19.8882 20.8542 20.8542 23.2064 23.2064 k = 0.5000 0.5000 0.2384 ( 984 PWs) bands (ev): 8.6865 8.6865 9.7608 9.7608 10.2746 10.2746 11.3838 11.3838 13.3693 13.3693 13.7054 13.7054 14.4442 14.4442 15.0385 15.0385 15.6438 15.6438 15.8289 15.8289 20.0273 20.0273 21.0151 21.0151 23.2196 23.2196 k = 0.5000 0.5000 0.2469 ( 984 PWs) bands (ev): 8.7061 8.7061 9.7764 9.7764 10.2918 10.2918 11.4653 11.4653 13.3122 13.3122 13.6430 13.6430 14.3649 14.3649 15.0154 15.0154 15.6389 15.6389 15.8288 15.8288 20.1646 20.1646 21.1761 21.1761 23.2340 23.2340 k = 0.5000 0.5000 0.2554 ( 984 PWs) bands (ev): 8.7250 8.7250 9.7915 9.7915 10.3087 10.3087 11.5482 11.5482 13.2586 13.2586 13.5841 13.5841 14.2840 14.2840 14.9928 14.9928 15.6344 15.6344 15.8288 15.8288 20.2995 20.2995 21.3370 21.3370 23.2496 23.2496 k = 0.5000 0.5000 0.2639 ( 984 PWs) bands (ev): 8.7431 8.7431 9.8060 9.8060 10.3251 10.3251 11.6320 11.6320 13.2087 13.2087 13.5287 13.5287 14.2015 14.2015 14.9709 14.9709 15.6304 15.6304 15.8288 15.8288 20.4316 20.4316 21.4976 21.4976 23.2664 23.2664 k = 0.5000 0.5000 0.2724 ( 984 PWs) bands (ev): 8.7602 8.7602 9.8198 9.8198 10.3409 10.3409 11.7165 11.7165 13.1627 13.1627 13.4769 13.4769 14.1178 14.1178 14.9500 14.9500 15.6269 15.6269 15.8288 15.8288 20.5602 20.5602 21.6575 21.6575 23.2844 23.2844 k = 0.5000 0.5000 0.2809 ( 984 PWs) bands (ev): 8.7763 8.7763 9.8329 9.8329 10.3560 10.3560 11.8011 11.8011 13.1208 13.1208 13.4290 13.4290 14.0332 14.0332 14.9301 14.9301 15.6238 15.6238 15.8288 15.8288 20.6845 20.6845 21.8166 21.8166 23.3035 23.3035 k = 0.5000 0.5000 0.2894 ( 984 PWs) bands (ev): 8.7913 8.7913 9.8451 9.8451 10.3701 10.3701 11.8852 11.8852 13.0832 13.0832 13.3851 13.3851 13.9483 13.9483 14.9116 14.9116 15.6211 15.6211 15.8288 15.8288 20.8037 20.8037 21.9742 21.9742 23.3236 23.3236 k = 0.5000 0.5000 0.2980 ( 976 PWs) bands (ev): 8.8050 8.8050 9.8563 9.8563 10.3833 10.3833 11.9682 11.9682 13.0506 13.0506 13.3455 13.3455 13.8635 13.8635 14.8945 14.8945 15.6187 15.6187 15.8289 15.8289 20.9167 20.9167 22.1299 22.1299 23.3446 23.3446 k = 0.5000 0.5000 0.3065 ( 976 PWs) bands (ev): 8.8173 8.8173 9.8665 9.8665 10.3953 10.3953 12.0490 12.0490 13.0228 13.0228 13.3099 13.3099 13.7796 13.7796 14.8790 14.8790 15.6167 15.6167 15.8289 15.8289 21.0222 21.0222 22.2827 22.2827 23.3662 23.3662 k = 0.5000 0.5000 0.3150 ( 976 PWs) bands (ev): 8.8282 8.8282 9.8755 9.8755 10.4060 10.4060 12.1263 12.1263 13.0004 13.0004 13.2788 13.2788 13.6976 13.6976 14.8653 14.8653 15.6150 15.6150 15.8289 15.8289 21.1189 21.1189 22.4315 22.4315 23.3879 23.3879 k = 0.5000 0.5000 0.3235 ( 976 PWs) bands (ev): 8.8375 8.8375 9.8833 9.8833 10.4153 10.4153 12.1984 12.1984 12.9840 12.9840 13.2523 13.2523 13.6189 13.6189 14.8534 14.8534 15.6136 15.6136 15.8289 15.8289 21.2051 21.2051 22.5744 22.5744 23.4092 23.4092 k = 0.5000 0.5000 0.3320 ( 972 PWs) bands (ev): 8.8453 8.8453 9.8897 9.8897 10.4230 10.4230 12.2633 12.2633 12.9738 12.9738 13.2305 13.2305 13.5454 13.5454 14.8436 14.8436 15.6124 15.6124 15.8289 15.8289 21.2791 21.2791 22.7086 22.7086 23.4293 23.4293 k = 0.5000 0.5000 0.3405 ( 964 PWs) bands (ev): 8.8514 8.8514 9.8949 9.8949 10.4292 10.4292 12.3181 12.3181 12.9697 12.9697 13.2135 13.2135 13.4800 13.4800 14.8361 14.8361 15.6115 15.6115 15.8289 15.8289 21.3392 21.3392 22.8292 22.8292 23.4470 23.4470 k = 0.5000 0.5000 0.3490 ( 976 PWs) bands (ev): 8.8558 8.8558 9.8985 9.8985 10.4336 10.4336 12.3599 12.3599 12.9702 12.9702 13.2010 13.2010 13.4267 13.4267 14.8301 14.8301 15.6109 15.6109 15.8289 15.8289 21.3835 21.3835 22.9288 22.9288 23.4610 23.4610 k = 0.5000 0.5000 0.3575 ( 976 PWs) bands (ev): 8.8584 8.8584 9.9007 9.9007 10.4363 10.4363 12.3863 12.3863 12.9732 12.9732 13.1936 13.1936 13.3910 13.3910 14.8267 14.8267 15.6105 15.6105 15.8289 15.8289 21.4108 21.4108 22.9967 22.9967 23.4701 23.4701 k = 0.5000 0.5000 0.3661 ( 976 PWs) bands (ev): 8.8593 8.8593 9.9015 9.9015 10.4372 10.4372 12.3953 12.3953 12.9747 12.9747 13.1911 13.1911 13.3783 13.3783 14.8256 14.8256 15.6104 15.6104 15.8289 15.8289 21.4200 21.4200 23.0212 23.0212 23.4732 23.4732 Writing output data file FePt.save init_run : 0.16s CPU 0.39s WALL ( 1 calls) electrons : 64.83s CPU 66.89s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 64.82s CPU 66.88s 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 : 0.02s CPU 0.02s WALL ( 534 calls) cegterg : 60.06s CPU 61.56s WALL ( 725 calls) Called by sum_band: Called by *egterg: h_psi : 22.74s CPU 23.57s WALL ( 12193 calls) s_psi : 1.26s CPU 1.51s WALL ( 12193 calls) g_psi : 0.08s CPU 0.06s WALL ( 10934 calls) cdiaghg : 34.62s CPU 35.12s WALL ( 11468 calls) cegterg:over : 1.88s CPU 1.87s WALL ( 10934 calls) cegterg:upda : 1.22s CPU 1.25s WALL ( 10934 calls) cegterg:last : 0.52s CPU 0.62s WALL ( 2034 calls) cdiaghg:chol : 1.72s CPU 1.73s WALL ( 11468 calls) cdiaghg:inve : 0.79s CPU 0.71s WALL ( 11468 calls) cdiaghg:para : 2.06s CPU 2.19s WALL ( 22936 calls) Called by h_psi: h_psi:vloc : 19.43s CPU 20.17s WALL ( 12193 calls) h_psi:vnl : 3.27s CPU 3.36s WALL ( 12193 calls) add_vuspsi : 1.91s CPU 1.97s WALL ( 12193 calls) General routines calbec : 1.34s CPU 1.36s WALL ( 12193 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 18.06s CPU 18.66s WALL ( 686476 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.20s WALL ( 1068 calls) Parallel routines fft_scatter : 11.30s CPU 11.76s WALL ( 686499 calls) PWSCF : 1m13.97s CPU 1m30.61s WALL This run was terminated on: 18:17:16 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=