Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:30:11 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: ./Cu3Au.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 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 46 20 6 1444 402 70 Max 47 21 7 1447 421 75 Sum 1685 733 225 52035 14795 2553 bravais-lattice index = 14 lattice parameter (alat) = 7.0676 a.u. unit-cell volume = 353.0298 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.067575 celldm(2)= 1.000000 celldm(3)= 1.000000 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 1.000000 ) 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 1.000000 ) PseudoPot. # 1 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 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 Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 Cu 11.00 63.54600 Cu( 1.00) Au 11.00 196.96660 Au( 1.00) 48 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 = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 325 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0030769 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0030769 k( 4) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0030769 k( 5) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0030769 k( 6) = ( 0.0000000 0.0595238 -0.0000000), wk = 0.0030769 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0030769 k( 8) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0030769 k( 9) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0030769 k( 10) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0030769 k( 11) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0030769 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0030769 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0030769 k( 14) = ( 0.0000000 0.1547619 -0.0000000), wk = 0.0030769 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0030769 k( 16) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0030769 k( 17) = ( 0.0000000 0.1904762 -0.0000000), wk = 0.0030769 k( 18) = ( 0.0000000 0.2023810 -0.0000000), wk = 0.0030769 k( 19) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0030769 k( 20) = ( 0.0000000 0.2261905 -0.0000000), wk = 0.0030769 k( 21) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0030769 k( 22) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0030769 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0030769 k( 24) = ( 0.0000000 0.2738095 -0.0000000), wk = 0.0030769 k( 25) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0030769 k( 26) = ( 0.0000000 0.2976190 -0.0000000), wk = 0.0030769 k( 27) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0030769 k( 28) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0030769 k( 29) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0030769 k( 30) = ( 0.0000000 0.3452381 -0.0000000), wk = 0.0030769 k( 31) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0030769 k( 32) = ( 0.0000000 0.3690476 -0.0000000), wk = 0.0030769 k( 33) = ( 0.0000000 0.3809524 -0.0000000), wk = 0.0030769 k( 34) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0030769 k( 35) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0030769 k( 36) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0030769 k( 37) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0030769 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0030769 k( 39) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0030769 k( 40) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0030769 k( 41) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0030769 k( 42) = ( 0.0000000 0.4880952 -0.0000000), wk = 0.0030769 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030769 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030769 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0030769 k( 46) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0030769 k( 47) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0030769 k( 48) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0030769 k( 49) = ( 0.0595238 0.5000000 -0.0000000), wk = 0.0030769 k( 50) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0030769 k( 51) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0030769 k( 52) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0030769 k( 53) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0030769 k( 54) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0030769 k( 55) = ( 0.1309524 0.5000000 -0.0000000), wk = 0.0030769 k( 56) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0030769 k( 57) = ( 0.1547619 0.5000000 -0.0000000), wk = 0.0030769 k( 58) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0030769 k( 59) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0030769 k( 60) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0030769 k( 61) = ( 0.2023810 0.5000000 -0.0000000), wk = 0.0030769 k( 62) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0030769 k( 63) = ( 0.2261905 0.5000000 -0.0000000), wk = 0.0030769 k( 64) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0030769 k( 65) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0030769 k( 66) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0030769 k( 67) = ( 0.2738095 0.5000000 -0.0000000), wk = 0.0030769 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0030769 k( 69) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0030769 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0030769 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0030769 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0030769 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0030769 k( 74) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0030769 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0030769 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0030769 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0030769 k( 78) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0030769 k( 79) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0030769 k( 80) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0030769 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0030769 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0030769 k( 83) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0030769 k( 84) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0030769 k( 85) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0030769 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030769 k( 87) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030769 k( 88) = ( 0.4916667 0.4916667 -0.0000000), wk = 0.0030769 k( 89) = ( 0.4833333 0.4833333 -0.0000000), wk = 0.0030769 k( 90) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0030769 k( 91) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0030769 k( 92) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0030769 k( 93) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0030769 k( 94) = ( 0.4416667 0.4416667 -0.0000000), wk = 0.0030769 k( 95) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0030769 k( 96) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0030769 k( 97) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0030769 k( 98) = ( 0.4083333 0.4083333 -0.0000000), wk = 0.0030769 k( 99) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0030769 k( 100) = ( 0.3916667 0.3916667 -0.0000000), wk = 0.0030769 k( 101) = ( 0.3833333 0.3833333 -0.0000000), wk = 0.0030769 k( 102) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0030769 k( 103) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0030769 k( 104) = ( 0.3583333 0.3583333 -0.0000000), wk = 0.0030769 k( 105) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0030769 k( 106) = ( 0.3416667 0.3416667 -0.0000000), wk = 0.0030769 k( 107) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030769 k( 108) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0030769 k( 109) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0030769 k( 110) = ( 0.3083333 0.3083333 -0.0000000), wk = 0.0030769 k( 111) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0030769 k( 112) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0030769 k( 113) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0030769 k( 114) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0030769 k( 115) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0030769 k( 116) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0030769 k( 117) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0030769 k( 118) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0030769 k( 119) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0030769 k( 120) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0030769 k( 121) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0030769 k( 122) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0030769 k( 123) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0030769 k( 124) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0030769 k( 125) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0030769 k( 126) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0030769 k( 127) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0030769 k( 128) = ( 0.1583333 0.1583333 -0.0000000), wk = 0.0030769 k( 129) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0030769 k( 130) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0030769 k( 131) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0030769 k( 132) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0030769 k( 133) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0030769 k( 134) = ( 0.1083333 0.1083333 -0.0000000), wk = 0.0030769 k( 135) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0030769 k( 136) = ( 0.0916667 0.0916667 -0.0000000), wk = 0.0030769 k( 137) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0030769 k( 138) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0030769 k( 139) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0030769 k( 140) = ( 0.0583333 0.0583333 -0.0000000), wk = 0.0030769 k( 141) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0030769 k( 142) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0030769 k( 143) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0030769 k( 144) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0030769 k( 145) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0030769 k( 146) = ( 0.0083333 0.0083333 -0.0000000), wk = 0.0030769 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 149) = ( 0.0068493 0.0068493 0.0068493), wk = 0.0030769 k( 150) = ( 0.0136986 0.0136986 0.0136986), wk = 0.0030769 k( 151) = ( 0.0205479 0.0205479 0.0205479), wk = 0.0030769 k( 152) = ( 0.0273973 0.0273973 0.0273973), wk = 0.0030769 k( 153) = ( 0.0342466 0.0342466 0.0342466), wk = 0.0030769 k( 154) = ( 0.0410959 0.0410959 0.0410959), wk = 0.0030769 k( 155) = ( 0.0479452 0.0479452 0.0479452), wk = 0.0030769 k( 156) = ( 0.0547945 0.0547945 0.0547945), wk = 0.0030769 k( 157) = ( 0.0616438 0.0616438 0.0616438), wk = 0.0030769 k( 158) = ( 0.0684932 0.0684932 0.0684931), wk = 0.0030769 k( 159) = ( 0.0753425 0.0753425 0.0753425), wk = 0.0030769 k( 160) = ( 0.0821918 0.0821918 0.0821918), wk = 0.0030769 k( 161) = ( 0.0890411 0.0890411 0.0890411), wk = 0.0030769 k( 162) = ( 0.0958904 0.0958904 0.0958904), wk = 0.0030769 k( 163) = ( 0.1027397 0.1027397 0.1027397), wk = 0.0030769 k( 164) = ( 0.1095890 0.1095890 0.1095890), wk = 0.0030769 k( 165) = ( 0.1164384 0.1164384 0.1164384), wk = 0.0030769 k( 166) = ( 0.1232877 0.1232877 0.1232877), wk = 0.0030769 k( 167) = ( 0.1301370 0.1301370 0.1301370), wk = 0.0030769 k( 168) = ( 0.1369863 0.1369863 0.1369863), wk = 0.0030769 k( 169) = ( 0.1438356 0.1438356 0.1438356), wk = 0.0030769 k( 170) = ( 0.1506849 0.1506849 0.1506849), wk = 0.0030769 k( 171) = ( 0.1575342 0.1575342 0.1575342), wk = 0.0030769 k( 172) = ( 0.1643836 0.1643836 0.1643836), wk = 0.0030769 k( 173) = ( 0.1712329 0.1712329 0.1712329), wk = 0.0030769 k( 174) = ( 0.1780822 0.1780822 0.1780822), wk = 0.0030769 k( 175) = ( 0.1849315 0.1849315 0.1849315), wk = 0.0030769 k( 176) = ( 0.1917808 0.1917808 0.1917808), wk = 0.0030769 k( 177) = ( 0.1986301 0.1986301 0.1986301), wk = 0.0030769 k( 178) = ( 0.2054795 0.2054794 0.2054794), wk = 0.0030769 k( 179) = ( 0.2123288 0.2123288 0.2123288), wk = 0.0030769 k( 180) = ( 0.2191781 0.2191781 0.2191781), wk = 0.0030769 k( 181) = ( 0.2260274 0.2260274 0.2260274), wk = 0.0030769 k( 182) = ( 0.2328767 0.2328767 0.2328767), wk = 0.0030769 k( 183) = ( 0.2397260 0.2397260 0.2397260), wk = 0.0030769 k( 184) = ( 0.2465753 0.2465753 0.2465753), wk = 0.0030769 k( 185) = ( 0.2534247 0.2534247 0.2534247), wk = 0.0030769 k( 186) = ( 0.2602740 0.2602740 0.2602740), wk = 0.0030769 k( 187) = ( 0.2671233 0.2671233 0.2671233), wk = 0.0030769 k( 188) = ( 0.2739726 0.2739726 0.2739726), wk = 0.0030769 k( 189) = ( 0.2808219 0.2808219 0.2808219), wk = 0.0030769 k( 190) = ( 0.2876712 0.2876712 0.2876712), wk = 0.0030769 k( 191) = ( 0.2945205 0.2945205 0.2945205), wk = 0.0030769 k( 192) = ( 0.3013699 0.3013699 0.3013699), wk = 0.0030769 k( 193) = ( 0.3082192 0.3082192 0.3082192), wk = 0.0030769 k( 194) = ( 0.3150685 0.3150685 0.3150685), wk = 0.0030769 k( 195) = ( 0.3219178 0.3219178 0.3219178), wk = 0.0030769 k( 196) = ( 0.3287671 0.3287671 0.3287671), wk = 0.0030769 k( 197) = ( 0.3356164 0.3356164 0.3356164), wk = 0.0030769 k( 198) = ( 0.3424658 0.3424657 0.3424657), wk = 0.0030769 k( 199) = ( 0.3493151 0.3493151 0.3493151), wk = 0.0030769 k( 200) = ( 0.3561644 0.3561644 0.3561644), wk = 0.0030769 k( 201) = ( 0.3630137 0.3630137 0.3630137), wk = 0.0030769 k( 202) = ( 0.3698630 0.3698630 0.3698630), wk = 0.0030769 k( 203) = ( 0.3767123 0.3767123 0.3767123), wk = 0.0030769 k( 204) = ( 0.3835616 0.3835616 0.3835616), wk = 0.0030769 k( 205) = ( 0.3904110 0.3904110 0.3904110), wk = 0.0030769 k( 206) = ( 0.3972603 0.3972603 0.3972603), wk = 0.0030769 k( 207) = ( 0.4041096 0.4041096 0.4041096), wk = 0.0030769 k( 208) = ( 0.4109589 0.4109589 0.4109589), wk = 0.0030769 k( 209) = ( 0.4178082 0.4178082 0.4178082), wk = 0.0030769 k( 210) = ( 0.4246575 0.4246575 0.4246575), wk = 0.0030769 k( 211) = ( 0.4315068 0.4315068 0.4315068), wk = 0.0030769 k( 212) = ( 0.4383562 0.4383562 0.4383562), wk = 0.0030769 k( 213) = ( 0.4452055 0.4452055 0.4452055), wk = 0.0030769 k( 214) = ( 0.4520548 0.4520548 0.4520548), wk = 0.0030769 k( 215) = ( 0.4589041 0.4589041 0.4589041), wk = 0.0030769 k( 216) = ( 0.4657534 0.4657534 0.4657534), wk = 0.0030769 k( 217) = ( 0.4726027 0.4726027 0.4726027), wk = 0.0030769 k( 218) = ( 0.4794521 0.4794520 0.4794520), wk = 0.0030769 k( 219) = ( 0.4863014 0.4863014 0.4863014), wk = 0.0030769 k( 220) = ( 0.4931507 0.4931507 0.4931507), wk = 0.0030769 k( 221) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 k( 222) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 k( 223) = ( 0.4916667 0.5000000 0.4916667), wk = 0.0030769 k( 224) = ( 0.4833333 0.5000000 0.4833333), wk = 0.0030769 k( 225) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0030769 k( 226) = ( 0.4666667 0.5000000 0.4666667), wk = 0.0030769 k( 227) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0030769 k( 228) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0030769 k( 229) = ( 0.4416667 0.5000000 0.4416667), wk = 0.0030769 k( 230) = ( 0.4333333 0.5000000 0.4333333), wk = 0.0030769 k( 231) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0030769 k( 232) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0030769 k( 233) = ( 0.4083333 0.5000000 0.4083333), wk = 0.0030769 k( 234) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0030769 k( 235) = ( 0.3916667 0.5000000 0.3916667), wk = 0.0030769 k( 236) = ( 0.3833333 0.5000000 0.3833333), wk = 0.0030769 k( 237) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0030769 k( 238) = ( 0.3666667 0.5000000 0.3666667), wk = 0.0030769 k( 239) = ( 0.3583333 0.5000000 0.3583333), wk = 0.0030769 k( 240) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0030769 k( 241) = ( 0.3416667 0.5000000 0.3416667), wk = 0.0030769 k( 242) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0030769 k( 243) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0030769 k( 244) = ( 0.3166667 0.5000000 0.3166667), wk = 0.0030769 k( 245) = ( 0.3083333 0.5000000 0.3083333), wk = 0.0030769 k( 246) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0030769 k( 247) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0030769 k( 248) = ( 0.2833333 0.5000000 0.2833333), wk = 0.0030769 k( 249) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0030769 k( 250) = ( 0.2666667 0.5000000 0.2666667), wk = 0.0030769 k( 251) = ( 0.2583333 0.5000000 0.2583333), wk = 0.0030769 k( 252) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0030769 k( 253) = ( 0.2416667 0.5000000 0.2416667), wk = 0.0030769 k( 254) = ( 0.2333333 0.5000000 0.2333333), wk = 0.0030769 k( 255) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0030769 k( 256) = ( 0.2166667 0.5000000 0.2166667), wk = 0.0030769 k( 257) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0030769 k( 258) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0030769 k( 259) = ( 0.1916667 0.5000000 0.1916667), wk = 0.0030769 k( 260) = ( 0.1833333 0.5000000 0.1833333), wk = 0.0030769 k( 261) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0030769 k( 262) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0030769 k( 263) = ( 0.1583333 0.5000000 0.1583333), wk = 0.0030769 k( 264) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0030769 k( 265) = ( 0.1416667 0.5000000 0.1416667), wk = 0.0030769 k( 266) = ( 0.1333333 0.5000000 0.1333333), wk = 0.0030769 k( 267) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0030769 k( 268) = ( 0.1166667 0.5000000 0.1166667), wk = 0.0030769 k( 269) = ( 0.1083333 0.5000000 0.1083333), wk = 0.0030769 k( 270) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0030769 k( 271) = ( 0.0916667 0.5000000 0.0916667), wk = 0.0030769 k( 272) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0030769 k( 273) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0030769 k( 274) = ( 0.0666667 0.5000000 0.0666667), wk = 0.0030769 k( 275) = ( 0.0583333 0.5000000 0.0583333), wk = 0.0030769 k( 276) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0030769 k( 277) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0030769 k( 278) = ( 0.0333333 0.5000000 0.0333333), wk = 0.0030769 k( 279) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0030769 k( 280) = ( 0.0166667 0.5000000 0.0166667), wk = 0.0030769 k( 281) = ( 0.0083333 0.5000000 0.0083333), wk = 0.0030769 k( 282) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030769 k( 283) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030769 k( 284) = ( 0.5000000 0.5000000 0.0119048), wk = 0.0030769 k( 285) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0030769 k( 286) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0030769 k( 287) = ( 0.5000000 0.5000000 0.0476190), wk = 0.0030769 k( 288) = ( 0.5000000 0.5000000 0.0595238), wk = 0.0030769 k( 289) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0030769 k( 290) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0030769 k( 291) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0030769 k( 292) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0030769 k( 293) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0030769 k( 294) = ( 0.5000000 0.5000000 0.1309524), wk = 0.0030769 k( 295) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0030769 k( 296) = ( 0.5000000 0.5000000 0.1547619), wk = 0.0030769 k( 297) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0030769 k( 298) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0030769 k( 299) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0030769 k( 300) = ( 0.5000000 0.5000000 0.2023809), wk = 0.0030769 k( 301) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0030769 k( 302) = ( 0.5000000 0.5000000 0.2261905), wk = 0.0030769 k( 303) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0030769 k( 304) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0030769 k( 305) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0030769 k( 306) = ( 0.5000000 0.5000000 0.2738095), wk = 0.0030769 k( 307) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0030769 k( 308) = ( 0.5000000 0.5000000 0.2976190), wk = 0.0030769 k( 309) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0030769 k( 310) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0030769 k( 311) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0030769 k( 312) = ( 0.5000000 0.5000000 0.3452381), wk = 0.0030769 k( 313) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0030769 k( 314) = ( 0.5000000 0.5000000 0.3690476), wk = 0.0030769 k( 315) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0030769 k( 316) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0030769 k( 317) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0030769 k( 318) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0030769 k( 319) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0030769 k( 320) = ( 0.5000000 0.5000000 0.4404762), wk = 0.0030769 k( 321) = ( 0.5000000 0.5000000 0.4523809), wk = 0.0030769 k( 322) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0030769 k( 323) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0030769 k( 324) = ( 0.5000000 0.5000000 0.4880952), wk = 0.0030769 k( 325) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 2) = ( 0.0000000 0.0119048 0.0000000), wk = 0.0030769 k( 3) = ( 0.0000000 0.0238095 0.0000000), wk = 0.0030769 k( 4) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0030769 k( 5) = ( 0.0000000 0.0476191 0.0000000), wk = 0.0030769 k( 6) = ( 0.0000000 0.0595238 0.0000000), wk = 0.0030769 k( 7) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0030769 k( 8) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0030769 k( 9) = ( 0.0000000 0.0952381 0.0000000), wk = 0.0030769 k( 10) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0030769 k( 11) = ( 0.0000000 0.1190476 0.0000000), wk = 0.0030769 k( 12) = ( 0.0000000 0.1309524 0.0000000), wk = 0.0030769 k( 13) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0030769 k( 14) = ( 0.0000000 0.1547619 0.0000000), wk = 0.0030769 k( 15) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0030769 k( 16) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0030769 k( 17) = ( 0.0000000 0.1904762 0.0000000), wk = 0.0030769 k( 18) = ( 0.0000000 0.2023810 0.0000000), wk = 0.0030769 k( 19) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0030769 k( 20) = ( 0.0000000 0.2261905 0.0000000), wk = 0.0030769 k( 21) = ( 0.0000000 0.2380952 0.0000000), wk = 0.0030769 k( 22) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0030769 k( 23) = ( 0.0000000 0.2619048 0.0000000), wk = 0.0030769 k( 24) = ( 0.0000000 0.2738095 0.0000000), wk = 0.0030769 k( 25) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0030769 k( 26) = ( 0.0000000 0.2976190 0.0000000), wk = 0.0030769 k( 27) = ( 0.0000000 0.3095238 0.0000000), wk = 0.0030769 k( 28) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0030769 k( 29) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0030769 k( 30) = ( 0.0000000 0.3452381 0.0000000), wk = 0.0030769 k( 31) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0030769 k( 32) = ( 0.0000000 0.3690476 0.0000000), wk = 0.0030769 k( 33) = ( 0.0000000 0.3809524 0.0000000), wk = 0.0030769 k( 34) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0030769 k( 35) = ( 0.0000000 0.4047619 0.0000000), wk = 0.0030769 k( 36) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0030769 k( 37) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0030769 k( 38) = ( 0.0000000 0.4404762 0.0000000), wk = 0.0030769 k( 39) = ( 0.0000000 0.4523810 0.0000000), wk = 0.0030769 k( 40) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0030769 k( 41) = ( 0.0000000 0.4761905 0.0000000), wk = 0.0030769 k( 42) = ( 0.0000000 0.4880952 0.0000000), wk = 0.0030769 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030769 k( 44) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030769 k( 45) = ( 0.0119048 0.5000000 0.0000000), wk = 0.0030769 k( 46) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0030769 k( 47) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0030769 k( 48) = ( 0.0476191 0.5000000 0.0000000), wk = 0.0030769 k( 49) = ( 0.0595238 0.5000000 0.0000000), wk = 0.0030769 k( 50) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0030769 k( 51) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0030769 k( 52) = ( 0.0952381 0.5000000 0.0000000), wk = 0.0030769 k( 53) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0030769 k( 54) = ( 0.1190476 0.5000000 0.0000000), wk = 0.0030769 k( 55) = ( 0.1309524 0.5000000 0.0000000), wk = 0.0030769 k( 56) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0030769 k( 57) = ( 0.1547619 0.5000000 0.0000000), wk = 0.0030769 k( 58) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0030769 k( 59) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0030769 k( 60) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0030769 k( 61) = ( 0.2023810 0.5000000 0.0000000), wk = 0.0030769 k( 62) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0030769 k( 63) = ( 0.2261905 0.5000000 0.0000000), wk = 0.0030769 k( 64) = ( 0.2380952 0.5000000 0.0000000), wk = 0.0030769 k( 65) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0030769 k( 66) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0030769 k( 67) = ( 0.2738095 0.5000000 0.0000000), wk = 0.0030769 k( 68) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0030769 k( 69) = ( 0.2976190 0.5000000 0.0000000), wk = 0.0030769 k( 70) = ( 0.3095238 0.5000000 0.0000000), wk = 0.0030769 k( 71) = ( 0.3214286 0.5000000 0.0000000), wk = 0.0030769 k( 72) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0030769 k( 73) = ( 0.3452381 0.5000000 0.0000000), wk = 0.0030769 k( 74) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0030769 k( 75) = ( 0.3690476 0.5000000 0.0000000), wk = 0.0030769 k( 76) = ( 0.3809524 0.5000000 0.0000000), wk = 0.0030769 k( 77) = ( 0.3928571 0.5000000 0.0000000), wk = 0.0030769 k( 78) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0030769 k( 79) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0030769 k( 80) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0030769 k( 81) = ( 0.4404762 0.5000000 0.0000000), wk = 0.0030769 k( 82) = ( 0.4523810 0.5000000 0.0000000), wk = 0.0030769 k( 83) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0030769 k( 84) = ( 0.4761905 0.5000000 0.0000000), wk = 0.0030769 k( 85) = ( 0.4880952 0.5000000 0.0000000), wk = 0.0030769 k( 86) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030769 k( 87) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030769 k( 88) = ( 0.4916667 0.4916667 0.0000000), wk = 0.0030769 k( 89) = ( 0.4833333 0.4833333 0.0000000), wk = 0.0030769 k( 90) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0030769 k( 91) = ( 0.4666667 0.4666667 0.0000000), wk = 0.0030769 k( 92) = ( 0.4583333 0.4583333 0.0000000), wk = 0.0030769 k( 93) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0030769 k( 94) = ( 0.4416667 0.4416667 0.0000000), wk = 0.0030769 k( 95) = ( 0.4333333 0.4333333 0.0000000), wk = 0.0030769 k( 96) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0030769 k( 97) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0030769 k( 98) = ( 0.4083333 0.4083333 0.0000000), wk = 0.0030769 k( 99) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0030769 k( 100) = ( 0.3916667 0.3916667 0.0000000), wk = 0.0030769 k( 101) = ( 0.3833333 0.3833333 0.0000000), wk = 0.0030769 k( 102) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0030769 k( 103) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0030769 k( 104) = ( 0.3583333 0.3583333 -0.0000000), wk = 0.0030769 k( 105) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0030769 k( 106) = ( 0.3416667 0.3416667 0.0000000), wk = 0.0030769 k( 107) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030769 k( 108) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0030769 k( 109) = ( 0.3166667 0.3166667 0.0000000), wk = 0.0030769 k( 110) = ( 0.3083333 0.3083333 0.0000000), wk = 0.0030769 k( 111) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0030769 k( 112) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0030769 k( 113) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0030769 k( 114) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0030769 k( 115) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0030769 k( 116) = ( 0.2583333 0.2583333 0.0000000), wk = 0.0030769 k( 117) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0030769 k( 118) = ( 0.2416667 0.2416667 0.0000000), wk = 0.0030769 k( 119) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0030769 k( 120) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0030769 k( 121) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0030769 k( 122) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0030769 k( 123) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0030769 k( 124) = ( 0.1916667 0.1916667 0.0000000), wk = 0.0030769 k( 125) = ( 0.1833333 0.1833333 0.0000000), wk = 0.0030769 k( 126) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0030769 k( 127) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0030769 k( 128) = ( 0.1583333 0.1583333 -0.0000000), wk = 0.0030769 k( 129) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0030769 k( 130) = ( 0.1416667 0.1416667 0.0000000), wk = 0.0030769 k( 131) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0030769 k( 132) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0030769 k( 133) = ( 0.1166667 0.1166667 0.0000000), wk = 0.0030769 k( 134) = ( 0.1083333 0.1083333 0.0000000), wk = 0.0030769 k( 135) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0030769 k( 136) = ( 0.0916667 0.0916667 0.0000000), wk = 0.0030769 k( 137) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0030769 k( 138) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0030769 k( 139) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0030769 k( 140) = ( 0.0583333 0.0583333 0.0000000), wk = 0.0030769 k( 141) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0030769 k( 142) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0030769 k( 143) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0030769 k( 144) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0030769 k( 145) = ( 0.0166667 0.0166667 0.0000000), wk = 0.0030769 k( 146) = ( 0.0083333 0.0083333 0.0000000), wk = 0.0030769 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030769 k( 149) = ( 0.0068493 0.0068493 0.0068493), wk = 0.0030769 k( 150) = ( 0.0136986 0.0136986 0.0136986), wk = 0.0030769 k( 151) = ( 0.0205479 0.0205479 0.0205479), wk = 0.0030769 k( 152) = ( 0.0273973 0.0273973 0.0273973), wk = 0.0030769 k( 153) = ( 0.0342466 0.0342466 0.0342466), wk = 0.0030769 k( 154) = ( 0.0410959 0.0410959 0.0410959), wk = 0.0030769 k( 155) = ( 0.0479452 0.0479452 0.0479452), wk = 0.0030769 k( 156) = ( 0.0547945 0.0547945 0.0547945), wk = 0.0030769 k( 157) = ( 0.0616438 0.0616438 0.0616438), wk = 0.0030769 k( 158) = ( 0.0684932 0.0684932 0.0684932), wk = 0.0030769 k( 159) = ( 0.0753425 0.0753425 0.0753425), wk = 0.0030769 k( 160) = ( 0.0821918 0.0821918 0.0821918), wk = 0.0030769 k( 161) = ( 0.0890411 0.0890411 0.0890411), wk = 0.0030769 k( 162) = ( 0.0958904 0.0958904 0.0958904), wk = 0.0030769 k( 163) = ( 0.1027397 0.1027397 0.1027397), wk = 0.0030769 k( 164) = ( 0.1095890 0.1095890 0.1095890), wk = 0.0030769 k( 165) = ( 0.1164384 0.1164384 0.1164384), wk = 0.0030769 k( 166) = ( 0.1232877 0.1232877 0.1232877), wk = 0.0030769 k( 167) = ( 0.1301370 0.1301370 0.1301370), wk = 0.0030769 k( 168) = ( 0.1369863 0.1369863 0.1369863), wk = 0.0030769 k( 169) = ( 0.1438356 0.1438356 0.1438356), wk = 0.0030769 k( 170) = ( 0.1506849 0.1506849 0.1506849), wk = 0.0030769 k( 171) = ( 0.1575342 0.1575342 0.1575342), wk = 0.0030769 k( 172) = ( 0.1643836 0.1643836 0.1643836), wk = 0.0030769 k( 173) = ( 0.1712329 0.1712329 0.1712329), wk = 0.0030769 k( 174) = ( 0.1780822 0.1780822 0.1780822), wk = 0.0030769 k( 175) = ( 0.1849315 0.1849315 0.1849315), wk = 0.0030769 k( 176) = ( 0.1917808 0.1917808 0.1917808), wk = 0.0030769 k( 177) = ( 0.1986301 0.1986301 0.1986301), wk = 0.0030769 k( 178) = ( 0.2054795 0.2054795 0.2054795), wk = 0.0030769 k( 179) = ( 0.2123288 0.2123288 0.2123288), wk = 0.0030769 k( 180) = ( 0.2191781 0.2191781 0.2191781), wk = 0.0030769 k( 181) = ( 0.2260274 0.2260274 0.2260274), wk = 0.0030769 k( 182) = ( 0.2328767 0.2328767 0.2328767), wk = 0.0030769 k( 183) = ( 0.2397260 0.2397260 0.2397260), wk = 0.0030769 k( 184) = ( 0.2465753 0.2465753 0.2465753), wk = 0.0030769 k( 185) = ( 0.2534247 0.2534247 0.2534247), wk = 0.0030769 k( 186) = ( 0.2602740 0.2602740 0.2602740), wk = 0.0030769 k( 187) = ( 0.2671233 0.2671233 0.2671233), wk = 0.0030769 k( 188) = ( 0.2739726 0.2739726 0.2739726), wk = 0.0030769 k( 189) = ( 0.2808219 0.2808219 0.2808219), wk = 0.0030769 k( 190) = ( 0.2876712 0.2876712 0.2876712), wk = 0.0030769 k( 191) = ( 0.2945205 0.2945205 0.2945205), wk = 0.0030769 k( 192) = ( 0.3013699 0.3013699 0.3013699), wk = 0.0030769 k( 193) = ( 0.3082192 0.3082192 0.3082192), wk = 0.0030769 k( 194) = ( 0.3150685 0.3150685 0.3150685), wk = 0.0030769 k( 195) = ( 0.3219178 0.3219178 0.3219178), wk = 0.0030769 k( 196) = ( 0.3287671 0.3287671 0.3287671), wk = 0.0030769 k( 197) = ( 0.3356164 0.3356164 0.3356164), wk = 0.0030769 k( 198) = ( 0.3424658 0.3424658 0.3424658), wk = 0.0030769 k( 199) = ( 0.3493151 0.3493151 0.3493151), wk = 0.0030769 k( 200) = ( 0.3561644 0.3561644 0.3561644), wk = 0.0030769 k( 201) = ( 0.3630137 0.3630137 0.3630137), wk = 0.0030769 k( 202) = ( 0.3698630 0.3698630 0.3698630), wk = 0.0030769 k( 203) = ( 0.3767123 0.3767123 0.3767123), wk = 0.0030769 k( 204) = ( 0.3835616 0.3835616 0.3835616), wk = 0.0030769 k( 205) = ( 0.3904110 0.3904110 0.3904110), wk = 0.0030769 k( 206) = ( 0.3972603 0.3972603 0.3972603), wk = 0.0030769 k( 207) = ( 0.4041096 0.4041096 0.4041096), wk = 0.0030769 k( 208) = ( 0.4109589 0.4109589 0.4109589), wk = 0.0030769 k( 209) = ( 0.4178082 0.4178082 0.4178082), wk = 0.0030769 k( 210) = ( 0.4246575 0.4246575 0.4246575), wk = 0.0030769 k( 211) = ( 0.4315068 0.4315068 0.4315068), wk = 0.0030769 k( 212) = ( 0.4383562 0.4383562 0.4383562), wk = 0.0030769 k( 213) = ( 0.4452055 0.4452055 0.4452055), wk = 0.0030769 k( 214) = ( 0.4520548 0.4520548 0.4520548), wk = 0.0030769 k( 215) = ( 0.4589041 0.4589041 0.4589041), wk = 0.0030769 k( 216) = ( 0.4657534 0.4657534 0.4657534), wk = 0.0030769 k( 217) = ( 0.4726027 0.4726027 0.4726027), wk = 0.0030769 k( 218) = ( 0.4794521 0.4794521 0.4794521), wk = 0.0030769 k( 219) = ( 0.4863014 0.4863014 0.4863014), wk = 0.0030769 k( 220) = ( 0.4931507 0.4931507 0.4931507), wk = 0.0030769 k( 221) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 k( 222) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 k( 223) = ( 0.4916667 0.5000000 0.4916667), wk = 0.0030769 k( 224) = ( 0.4833333 0.5000000 0.4833333), wk = 0.0030769 k( 225) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0030769 k( 226) = ( 0.4666667 0.5000000 0.4666667), wk = 0.0030769 k( 227) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0030769 k( 228) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0030769 k( 229) = ( 0.4416667 0.5000000 0.4416667), wk = 0.0030769 k( 230) = ( 0.4333333 0.5000000 0.4333333), wk = 0.0030769 k( 231) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0030769 k( 232) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0030769 k( 233) = ( 0.4083333 0.5000000 0.4083333), wk = 0.0030769 k( 234) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0030769 k( 235) = ( 0.3916667 0.5000000 0.3916667), wk = 0.0030769 k( 236) = ( 0.3833333 0.5000000 0.3833333), wk = 0.0030769 k( 237) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0030769 k( 238) = ( 0.3666667 0.5000000 0.3666667), wk = 0.0030769 k( 239) = ( 0.3583333 0.5000000 0.3583333), wk = 0.0030769 k( 240) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0030769 k( 241) = ( 0.3416667 0.5000000 0.3416667), wk = 0.0030769 k( 242) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0030769 k( 243) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0030769 k( 244) = ( 0.3166667 0.5000000 0.3166667), wk = 0.0030769 k( 245) = ( 0.3083333 0.5000000 0.3083333), wk = 0.0030769 k( 246) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0030769 k( 247) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0030769 k( 248) = ( 0.2833333 0.5000000 0.2833333), wk = 0.0030769 k( 249) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0030769 k( 250) = ( 0.2666667 0.5000000 0.2666667), wk = 0.0030769 k( 251) = ( 0.2583333 0.5000000 0.2583333), wk = 0.0030769 k( 252) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0030769 k( 253) = ( 0.2416667 0.5000000 0.2416667), wk = 0.0030769 k( 254) = ( 0.2333333 0.5000000 0.2333333), wk = 0.0030769 k( 255) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0030769 k( 256) = ( 0.2166667 0.5000000 0.2166667), wk = 0.0030769 k( 257) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0030769 k( 258) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0030769 k( 259) = ( 0.1916667 0.5000000 0.1916667), wk = 0.0030769 k( 260) = ( 0.1833333 0.5000000 0.1833333), wk = 0.0030769 k( 261) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0030769 k( 262) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0030769 k( 263) = ( 0.1583333 0.5000000 0.1583333), wk = 0.0030769 k( 264) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0030769 k( 265) = ( 0.1416667 0.5000000 0.1416667), wk = 0.0030769 k( 266) = ( 0.1333333 0.5000000 0.1333333), wk = 0.0030769 k( 267) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0030769 k( 268) = ( 0.1166667 0.5000000 0.1166667), wk = 0.0030769 k( 269) = ( 0.1083333 0.5000000 0.1083333), wk = 0.0030769 k( 270) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0030769 k( 271) = ( 0.0916667 0.5000000 0.0916667), wk = 0.0030769 k( 272) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0030769 k( 273) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0030769 k( 274) = ( 0.0666667 0.5000000 0.0666667), wk = 0.0030769 k( 275) = ( 0.0583333 0.5000000 0.0583333), wk = 0.0030769 k( 276) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0030769 k( 277) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0030769 k( 278) = ( 0.0333333 0.5000000 0.0333333), wk = 0.0030769 k( 279) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0030769 k( 280) = ( 0.0166667 0.5000000 0.0166667), wk = 0.0030769 k( 281) = ( 0.0083333 0.5000000 0.0083333), wk = 0.0030769 k( 282) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030769 k( 283) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030769 k( 284) = ( 0.5000000 0.5000000 0.0119048), wk = 0.0030769 k( 285) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0030769 k( 286) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0030769 k( 287) = ( 0.5000000 0.5000000 0.0476191), wk = 0.0030769 k( 288) = ( 0.5000000 0.5000000 0.0595238), wk = 0.0030769 k( 289) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0030769 k( 290) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0030769 k( 291) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0030769 k( 292) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0030769 k( 293) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0030769 k( 294) = ( 0.5000000 0.5000000 0.1309524), wk = 0.0030769 k( 295) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0030769 k( 296) = ( 0.5000000 0.5000000 0.1547619), wk = 0.0030769 k( 297) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0030769 k( 298) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0030769 k( 299) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0030769 k( 300) = ( 0.5000000 0.5000000 0.2023810), wk = 0.0030769 k( 301) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0030769 k( 302) = ( 0.5000000 0.5000000 0.2261905), wk = 0.0030769 k( 303) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0030769 k( 304) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0030769 k( 305) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0030769 k( 306) = ( 0.5000000 0.5000000 0.2738095), wk = 0.0030769 k( 307) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0030769 k( 308) = ( 0.5000000 0.5000000 0.2976190), wk = 0.0030769 k( 309) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0030769 k( 310) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0030769 k( 311) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0030769 k( 312) = ( 0.5000000 0.5000000 0.3452381), wk = 0.0030769 k( 313) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0030769 k( 314) = ( 0.5000000 0.5000000 0.3690476), wk = 0.0030769 k( 315) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0030769 k( 316) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0030769 k( 317) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0030769 k( 318) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0030769 k( 319) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0030769 k( 320) = ( 0.5000000 0.5000000 0.4404762), wk = 0.0030769 k( 321) = ( 0.5000000 0.5000000 0.4523810), wk = 0.0030769 k( 322) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0030769 k( 323) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0030769 k( 324) = ( 0.5000000 0.5000000 0.4880952), wk = 0.0030769 k( 325) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030769 Dense grid: 52035 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 14795 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 108, 52) NL pseudopotentials 0.11 Mb ( 54, 136) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1447) G-vector shells 0.00 Mb ( 352) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.34 Mb ( 108, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.22 Mb ( 136, 2, 52) The potential is recalculated from file : ./Cu3Au.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.2 secs Computing kpt #: 2 total cpu time spent up to now is 2.5 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 3.1 secs Computing kpt #: 5 total cpu time spent up to now is 3.3 secs Computing kpt #: 6 total cpu time spent up to now is 3.6 secs Computing kpt #: 7 total cpu time spent up to now is 3.8 secs Computing kpt #: 8 total cpu time spent up to now is 4.1 secs Computing kpt #: 9 total cpu time spent up to now is 4.3 secs Computing kpt #: 10 total cpu time spent up to now is 4.5 secs Computing kpt #: 11 total cpu time spent up to now is 4.8 secs Computing kpt #: 12 total cpu time spent up to now is 5.0 secs Computing kpt #: 13 total cpu time spent up to now is 5.3 secs Computing kpt #: 14 total cpu time spent up to now is 5.5 secs Computing kpt #: 15 total cpu time spent up to now is 5.7 secs Computing kpt #: 16 total cpu time spent up to now is 6.0 secs Computing kpt #: 17 total cpu time spent up to now is 6.2 secs Computing kpt #: 18 total cpu time spent up to now is 6.5 secs Computing kpt #: 19 total cpu time spent up to now is 6.7 secs Computing kpt #: 20 total cpu time spent up to now is 6.9 secs Computing kpt #: 21 total cpu time spent up to now is 7.2 secs Computing kpt #: 22 total cpu time spent up to now is 7.4 secs Computing kpt #: 23 total cpu time spent up to now is 8.9 secs Computing kpt #: 24 total cpu time spent up to now is 9.1 secs Computing kpt #: 25 total cpu time spent up to now is 9.4 secs Computing kpt #: 26 total cpu time spent up to now is 9.6 secs Computing kpt #: 27 total cpu time spent up to now is 9.9 secs Computing kpt #: 28 total cpu time spent up to now is 10.2 secs Computing kpt #: 29 total cpu time spent up to now is 10.5 secs Computing kpt #: 30 total cpu time spent up to now is 10.7 secs Computing kpt #: 31 total cpu time spent up to now is 11.0 secs Computing kpt #: 32 total cpu time spent up to now is 11.3 secs Computing kpt #: 33 total cpu time spent up to now is 11.6 secs Computing kpt #: 34 total cpu time spent up to now is 11.9 secs Computing kpt #: 35 total cpu time spent up to now is 12.2 secs Computing kpt #: 36 total cpu time spent up to now is 12.5 secs Computing kpt #: 37 total cpu time spent up to now is 12.9 secs Computing kpt #: 38 total cpu time spent up to now is 13.2 secs Computing kpt #: 39 total cpu time spent up to now is 13.5 secs Computing kpt #: 40 total cpu time spent up to now is 13.8 secs Computing kpt #: 41 total cpu time spent up to now is 14.1 secs Computing kpt #: 42 total cpu time spent up to now is 14.5 secs Computing kpt #: 43 total cpu time spent up to now is 14.8 secs Computing kpt #: 44 total cpu time spent up to now is 15.1 secs Computing kpt #: 45 total cpu time spent up to now is 15.4 secs Computing kpt #: 46 total cpu time spent up to now is 15.7 secs Computing kpt #: 47 total cpu time spent up to now is 15.9 secs Computing kpt #: 48 total cpu time spent up to now is 16.2 secs Computing kpt #: 49 total cpu time spent up to now is 16.5 secs Computing kpt #: 50 total cpu time spent up to now is 16.8 secs Computing kpt #: 51 total cpu time spent up to now is 17.0 secs Computing kpt #: 52 total cpu time spent up to now is 17.3 secs Computing kpt #: 53 total cpu time spent up to now is 17.6 secs Computing kpt #: 54 total cpu time spent up to now is 17.8 secs Computing kpt #: 55 total cpu time spent up to now is 18.1 secs Computing kpt #: 56 total cpu time spent up to now is 18.3 secs Computing kpt #: 57 total cpu time spent up to now is 18.6 secs Computing kpt #: 58 total cpu time spent up to now is 18.9 secs Computing kpt #: 59 total cpu time spent up to now is 19.1 secs Computing kpt #: 60 total cpu time spent up to now is 19.4 secs Computing kpt #: 61 total cpu time spent up to now is 19.7 secs Computing kpt #: 62 total cpu time spent up to now is 19.9 secs Computing kpt #: 63 total cpu time spent up to now is 20.2 secs Computing kpt #: 64 total cpu time spent up to now is 20.5 secs Computing kpt #: 65 total cpu time spent up to now is 20.7 secs Computing kpt #: 66 total cpu time spent up to now is 21.0 secs Computing kpt #: 67 total cpu time spent up to now is 21.3 secs Computing kpt #: 68 total cpu time spent up to now is 21.6 secs Computing kpt #: 69 total cpu time spent up to now is 21.9 secs Computing kpt #: 70 total cpu time spent up to now is 22.2 secs Computing kpt #: 71 total cpu time spent up to now is 22.4 secs Computing kpt #: 72 total cpu time spent up to now is 22.7 secs Computing kpt #: 73 total cpu time spent up to now is 23.1 secs Computing kpt #: 74 total cpu time spent up to now is 23.4 secs Computing kpt #: 75 total cpu time spent up to now is 23.7 secs Computing kpt #: 76 total cpu time spent up to now is 24.0 secs Computing kpt #: 77 total cpu time spent up to now is 24.3 secs Computing kpt #: 78 total cpu time spent up to now is 24.6 secs Computing kpt #: 79 total cpu time spent up to now is 25.0 secs Computing kpt #: 80 total cpu time spent up to now is 25.3 secs Computing kpt #: 81 total cpu time spent up to now is 25.6 secs Computing kpt #: 82 total cpu time spent up to now is 26.0 secs Computing kpt #: 83 total cpu time spent up to now is 26.3 secs Computing kpt #: 84 total cpu time spent up to now is 26.6 secs Computing kpt #: 85 total cpu time spent up to now is 26.9 secs Computing kpt #: 86 total cpu time spent up to now is 27.2 secs Computing kpt #: 87 total cpu time spent up to now is 27.5 secs Computing kpt #: 88 total cpu time spent up to now is 27.8 secs Computing kpt #: 89 total cpu time spent up to now is 28.1 secs Computing kpt #: 90 total cpu time spent up to now is 28.4 secs Computing kpt #: 91 total cpu time spent up to now is 28.7 secs Computing kpt #: 92 total cpu time spent up to now is 29.1 secs Computing kpt #: 93 total cpu time spent up to now is 29.4 secs Computing kpt #: 94 total cpu time spent up to now is 29.7 secs Computing kpt #: 95 total cpu time spent up to now is 30.1 secs Computing kpt #: 96 total cpu time spent up to now is 30.4 secs Computing kpt #: 97 total cpu time spent up to now is 30.7 secs Computing kpt #: 98 total cpu time spent up to now is 31.0 secs Computing kpt #: 99 total cpu time spent up to now is 31.3 secs Computing kpt #: 100 total cpu time spent up to now is 31.6 secs Computing kpt #: 101 total cpu time spent up to now is 31.9 secs Computing kpt #: 102 total cpu time spent up to now is 32.1 secs Computing kpt #: 103 total cpu time spent up to now is 32.4 secs Computing kpt #: 104 total cpu time spent up to now is 32.7 secs Computing kpt #: 105 total cpu time spent up to now is 33.0 secs Computing kpt #: 106 total cpu time spent up to now is 33.2 secs Computing kpt #: 107 total cpu time spent up to now is 33.5 secs Computing kpt #: 108 total cpu time spent up to now is 33.8 secs Computing kpt #: 109 total cpu time spent up to now is 34.0 secs Computing kpt #: 110 total cpu time spent up to now is 34.3 secs Computing kpt #: 111 total cpu time spent up to now is 34.5 secs Computing kpt #: 112 total cpu time spent up to now is 34.8 secs Computing kpt #: 113 total cpu time spent up to now is 35.1 secs Computing kpt #: 114 total cpu time spent up to now is 35.3 secs Computing kpt #: 115 total cpu time spent up to now is 35.5 secs Computing kpt #: 116 total cpu time spent up to now is 35.8 secs Computing kpt #: 117 total cpu time spent up to now is 36.0 secs Computing kpt #: 118 total cpu time spent up to now is 36.3 secs Computing kpt #: 119 total cpu time spent up to now is 36.5 secs Computing kpt #: 120 total cpu time spent up to now is 36.8 secs Computing kpt #: 121 total cpu time spent up to now is 37.0 secs Computing kpt #: 122 total cpu time spent up to now is 37.3 secs Computing kpt #: 123 total cpu time spent up to now is 37.6 secs Computing kpt #: 124 total cpu time spent up to now is 38.4 secs Computing kpt #: 125 total cpu time spent up to now is 38.6 secs Computing kpt #: 126 total cpu time spent up to now is 38.9 secs Computing kpt #: 127 total cpu time spent up to now is 39.3 secs Computing kpt #: 128 total cpu time spent up to now is 39.6 secs Computing kpt #: 129 total cpu time spent up to now is 40.0 secs Computing kpt #: 130 total cpu time spent up to now is 40.3 secs Computing kpt #: 131 total cpu time spent up to now is 40.6 secs Computing kpt #: 132 total cpu time spent up to now is 40.9 secs Computing kpt #: 133 total cpu time spent up to now is 41.2 secs Computing kpt #: 134 total cpu time spent up to now is 41.5 secs Computing kpt #: 135 total cpu time spent up to now is 41.7 secs Computing kpt #: 136 total cpu time spent up to now is 42.0 secs Computing kpt #: 137 total cpu time spent up to now is 42.3 secs Computing kpt #: 138 total cpu time spent up to now is 42.6 secs Computing kpt #: 139 total cpu time spent up to now is 42.8 secs Computing kpt #: 140 total cpu time spent up to now is 43.1 secs Computing kpt #: 141 total cpu time spent up to now is 43.4 secs Computing kpt #: 142 total cpu time spent up to now is 43.6 secs Computing kpt #: 143 total cpu time spent up to now is 43.9 secs Computing kpt #: 144 total cpu time spent up to now is 44.2 secs Computing kpt #: 145 total cpu time spent up to now is 44.5 secs Computing kpt #: 146 total cpu time spent up to now is 44.8 secs Computing kpt #: 147 total cpu time spent up to now is 45.1 secs Computing kpt #: 148 total cpu time spent up to now is 45.3 secs Computing kpt #: 149 total cpu time spent up to now is 45.5 secs Computing kpt #: 150 total cpu time spent up to now is 45.8 secs Computing kpt #: 151 total cpu time spent up to now is 46.0 secs Computing kpt #: 152 total cpu time spent up to now is 46.3 secs Computing kpt #: 153 total cpu time spent up to now is 46.7 secs Computing kpt #: 154 total cpu time spent up to now is 47.0 secs Computing kpt #: 155 total cpu time spent up to now is 47.3 secs Computing kpt #: 156 total cpu time spent up to now is 47.7 secs Computing kpt #: 157 total cpu time spent up to now is 48.0 secs Computing kpt #: 158 total cpu time spent up to now is 48.3 secs Computing kpt #: 159 total cpu time spent up to now is 48.7 secs Computing kpt #: 160 total cpu time spent up to now is 49.1 secs Computing kpt #: 161 total cpu time spent up to now is 49.4 secs Computing kpt #: 162 total cpu time spent up to now is 49.8 secs Computing kpt #: 163 total cpu time spent up to now is 50.2 secs Computing kpt #: 164 total cpu time spent up to now is 50.6 secs Computing kpt #: 165 total cpu time spent up to now is 51.0 secs Computing kpt #: 166 total cpu time spent up to now is 51.4 secs Computing kpt #: 167 total cpu time spent up to now is 51.8 secs Computing kpt #: 168 total cpu time spent up to now is 52.2 secs Computing kpt #: 169 total cpu time spent up to now is 52.5 secs Computing kpt #: 170 total cpu time spent up to now is 52.9 secs Computing kpt #: 171 total cpu time spent up to now is 53.3 secs Computing kpt #: 172 total cpu time spent up to now is 53.7 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 54.7 secs Computing kpt #: 174 total cpu time spent up to now is 55.1 secs Computing kpt #: 175 total cpu time spent up to now is 55.4 secs Computing kpt #: 176 total cpu time spent up to now is 55.7 secs Computing kpt #: 177 total cpu time spent up to now is 56.0 secs Computing kpt #: 178 total cpu time spent up to now is 56.3 secs Computing kpt #: 179 total cpu time spent up to now is 56.6 secs Computing kpt #: 180 total cpu time spent up to now is 56.9 secs Computing kpt #: 181 total cpu time spent up to now is 57.2 secs Computing kpt #: 182 total cpu time spent up to now is 57.4 secs Computing kpt #: 183 total cpu time spent up to now is 57.7 secs Computing kpt #: 184 total cpu time spent up to now is 58.0 secs Computing kpt #: 185 total cpu time spent up to now is 58.2 secs Computing kpt #: 186 total cpu time spent up to now is 58.5 secs Computing kpt #: 187 total cpu time spent up to now is 58.8 secs Computing kpt #: 188 total cpu time spent up to now is 59.0 secs Computing kpt #: 189 total cpu time spent up to now is 59.3 secs Computing kpt #: 190 total cpu time spent up to now is 59.6 secs Computing kpt #: 191 total cpu time spent up to now is 59.9 secs Computing kpt #: 192 total cpu time spent up to now is 60.1 secs Computing kpt #: 193 total cpu time spent up to now is 60.4 secs Computing kpt #: 194 total cpu time spent up to now is 60.7 secs Computing kpt #: 195 total cpu time spent up to now is 61.0 secs Computing kpt #: 196 total cpu time spent up to now is 61.2 secs Computing kpt #: 197 total cpu time spent up to now is 61.6 secs Computing kpt #: 198 total cpu time spent up to now is 61.9 secs Computing kpt #: 199 total cpu time spent up to now is 62.2 secs Computing kpt #: 200 total cpu time spent up to now is 62.5 secs Computing kpt #: 201 total cpu time spent up to now is 62.7 secs Computing kpt #: 202 total cpu time spent up to now is 63.0 secs Computing kpt #: 203 total cpu time spent up to now is 63.3 secs Computing kpt #: 204 total cpu time spent up to now is 63.6 secs Computing kpt #: 205 total cpu time spent up to now is 63.9 secs Computing kpt #: 206 total cpu time spent up to now is 64.2 secs Computing kpt #: 207 total cpu time spent up to now is 64.5 secs Computing kpt #: 208 total cpu time spent up to now is 64.7 secs Computing kpt #: 209 total cpu time spent up to now is 65.0 secs Computing kpt #: 210 total cpu time spent up to now is 65.3 secs Computing kpt #: 211 total cpu time spent up to now is 65.5 secs Computing kpt #: 212 total cpu time spent up to now is 65.8 secs Computing kpt #: 213 total cpu time spent up to now is 66.1 secs Computing kpt #: 214 total cpu time spent up to now is 66.3 secs Computing kpt #: 215 total cpu time spent up to now is 66.6 secs Computing kpt #: 216 total cpu time spent up to now is 66.9 secs Computing kpt #: 217 total cpu time spent up to now is 67.1 secs Computing kpt #: 218 total cpu time spent up to now is 67.4 secs Computing kpt #: 219 total cpu time spent up to now is 67.7 secs Computing kpt #: 220 total cpu time spent up to now is 68.1 secs Computing kpt #: 221 total cpu time spent up to now is 68.3 secs Computing kpt #: 222 total cpu time spent up to now is 68.6 secs Computing kpt #: 223 total cpu time spent up to now is 68.9 secs Computing kpt #: 224 total cpu time spent up to now is 69.2 secs Computing kpt #: 225 total cpu time spent up to now is 69.5 secs Computing kpt #: 226 total cpu time spent up to now is 69.8 secs Computing kpt #: 227 total cpu time spent up to now is 70.0 secs Computing kpt #: 228 total cpu time spent up to now is 70.3 secs Computing kpt #: 229 total cpu time spent up to now is 70.6 secs Computing kpt #: 230 total cpu time spent up to now is 70.9 secs Computing kpt #: 231 total cpu time spent up to now is 71.2 secs Computing kpt #: 232 total cpu time spent up to now is 71.4 secs Computing kpt #: 233 total cpu time spent up to now is 71.7 secs Computing kpt #: 234 total cpu time spent up to now is 72.0 secs Computing kpt #: 235 total cpu time spent up to now is 72.2 secs Computing kpt #: 236 total cpu time spent up to now is 72.5 secs Computing kpt #: 237 total cpu time spent up to now is 72.8 secs Computing kpt #: 238 total cpu time spent up to now is 73.1 secs Computing kpt #: 239 total cpu time spent up to now is 73.3 secs Computing kpt #: 240 total cpu time spent up to now is 73.6 secs Computing kpt #: 241 total cpu time spent up to now is 73.8 secs Computing kpt #: 242 total cpu time spent up to now is 74.1 secs Computing kpt #: 243 total cpu time spent up to now is 74.3 secs Computing kpt #: 244 total cpu time spent up to now is 74.5 secs Computing kpt #: 245 total cpu time spent up to now is 74.8 secs Computing kpt #: 246 total cpu time spent up to now is 75.0 secs Computing kpt #: 247 total cpu time spent up to now is 75.2 secs Computing kpt #: 248 total cpu time spent up to now is 75.5 secs Computing kpt #: 249 total cpu time spent up to now is 75.7 secs Computing kpt #: 250 total cpu time spent up to now is 75.9 secs Computing kpt #: 251 total cpu time spent up to now is 76.1 secs Computing kpt #: 252 total cpu time spent up to now is 76.4 secs Computing kpt #: 253 total cpu time spent up to now is 76.6 secs Computing kpt #: 254 total cpu time spent up to now is 76.8 secs Computing kpt #: 255 total cpu time spent up to now is 77.0 secs Computing kpt #: 256 total cpu time spent up to now is 77.3 secs Computing kpt #: 257 total cpu time spent up to now is 77.5 secs Computing kpt #: 258 total cpu time spent up to now is 77.7 secs Computing kpt #: 259 total cpu time spent up to now is 77.9 secs Computing kpt #: 260 total cpu time spent up to now is 78.2 secs Computing kpt #: 261 total cpu time spent up to now is 78.4 secs Computing kpt #: 262 total cpu time spent up to now is 78.6 secs Computing kpt #: 263 total cpu time spent up to now is 78.8 secs Computing kpt #: 264 total cpu time spent up to now is 79.1 secs Computing kpt #: 265 total cpu time spent up to now is 79.3 secs Computing kpt #: 266 total cpu time spent up to now is 79.5 secs Computing kpt #: 267 total cpu time spent up to now is 79.7 secs Computing kpt #: 268 total cpu time spent up to now is 80.0 secs Computing kpt #: 269 total cpu time spent up to now is 80.2 secs Computing kpt #: 270 total cpu time spent up to now is 80.4 secs Computing kpt #: 271 total cpu time spent up to now is 80.7 secs Computing kpt #: 272 total cpu time spent up to now is 80.9 secs Computing kpt #: 273 total cpu time spent up to now is 81.2 secs Computing kpt #: 274 total cpu time spent up to now is 81.5 secs Computing kpt #: 275 total cpu time spent up to now is 81.7 secs Computing kpt #: 276 total cpu time spent up to now is 82.0 secs Computing kpt #: 277 total cpu time spent up to now is 82.2 secs Computing kpt #: 278 total cpu time spent up to now is 82.5 secs Computing kpt #: 279 total cpu time spent up to now is 82.8 secs Computing kpt #: 280 total cpu time spent up to now is 83.1 secs Computing kpt #: 281 total cpu time spent up to now is 83.4 secs Computing kpt #: 282 total cpu time spent up to now is 83.7 secs Computing kpt #: 283 total cpu time spent up to now is 84.0 secs Computing kpt #: 284 total cpu time spent up to now is 84.3 secs Computing kpt #: 285 total cpu time spent up to now is 84.6 secs Computing kpt #: 286 total cpu time spent up to now is 84.9 secs Computing kpt #: 287 total cpu time spent up to now is 85.2 secs Computing kpt #: 288 total cpu time spent up to now is 85.5 secs Computing kpt #: 289 total cpu time spent up to now is 85.8 secs Computing kpt #: 290 total cpu time spent up to now is 86.1 secs Computing kpt #: 291 total cpu time spent up to now is 86.4 secs Computing kpt #: 292 total cpu time spent up to now is 86.7 secs Computing kpt #: 293 total cpu time spent up to now is 87.0 secs Computing kpt #: 294 total cpu time spent up to now is 87.3 secs Computing kpt #: 295 total cpu time spent up to now is 87.6 secs Computing kpt #: 296 total cpu time spent up to now is 87.8 secs Computing kpt #: 297 total cpu time spent up to now is 88.1 secs Computing kpt #: 298 total cpu time spent up to now is 88.4 secs Computing kpt #: 299 total cpu time spent up to now is 88.7 secs Computing kpt #: 300 total cpu time spent up to now is 89.0 secs Computing kpt #: 301 total cpu time spent up to now is 89.3 secs Computing kpt #: 302 total cpu time spent up to now is 89.6 secs Computing kpt #: 303 total cpu time spent up to now is 89.8 secs Computing kpt #: 304 total cpu time spent up to now is 90.1 secs Computing kpt #: 305 total cpu time spent up to now is 90.4 secs Computing kpt #: 306 total cpu time spent up to now is 90.7 secs Computing kpt #: 307 total cpu time spent up to now is 91.0 secs Computing kpt #: 308 total cpu time spent up to now is 91.2 secs Computing kpt #: 309 total cpu time spent up to now is 91.5 secs Computing kpt #: 310 total cpu time spent up to now is 91.8 secs Computing kpt #: 311 total cpu time spent up to now is 92.1 secs Computing kpt #: 312 total cpu time spent up to now is 92.3 secs Computing kpt #: 313 total cpu time spent up to now is 92.6 secs Computing kpt #: 314 total cpu time spent up to now is 92.9 secs Computing kpt #: 315 total cpu time spent up to now is 93.2 secs Computing kpt #: 316 total cpu time spent up to now is 93.4 secs Computing kpt #: 317 total cpu time spent up to now is 93.7 secs Computing kpt #: 318 total cpu time spent up to now is 94.0 secs Computing kpt #: 319 total cpu time spent up to now is 94.3 secs Computing kpt #: 320 total cpu time spent up to now is 94.6 secs Computing kpt #: 321 total cpu time spent up to now is 94.9 secs Computing kpt #: 322 total cpu time spent up to now is 95.2 secs Computing kpt #: 323 total cpu time spent up to now is 95.5 secs Computing kpt #: 324 total cpu time spent up to now is 95.8 secs Computing kpt #: 325 total cpu time spent up to now is 96.1 secs ethr = 2.27E-08, avg # of iterations = 17.2 total cpu time spent up to now is 96.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1863 PWs) bands (ev): 4.1682 4.1682 7.1882 7.1882 7.1882 7.1882 8.2539 8.2539 8.2539 8.2539 8.5960 8.5960 9.3156 9.3156 10.6849 10.6849 10.6849 10.6849 10.9315 10.9315 11.6914 11.6914 11.6914 11.6914 12.2049 12.2049 12.2049 12.2049 12.2264 12.2264 12.3466 12.3466 12.3847 12.3847 12.3847 12.3847 12.6270 12.6270 12.6270 12.6270 12.7993 12.7993 14.6577 14.6577 15.3123 15.3123 15.3123 15.3123 19.9405 19.9405 21.4822 21.4822 k = 0.0000 0.0119-0.0000 ( 1863 PWs) bands (ev): 4.1699 4.1699 7.1888 7.1888 7.1890 7.1890 8.2544 8.2544 8.2544 8.2544 8.5964 8.5964 9.3160 9.3160 10.6847 10.6847 10.6851 10.6851 10.9316 10.9316 11.6909 11.6909 11.6916 11.6916 12.2035 12.2035 12.2045 12.2045 12.2259 12.2259 12.3453 12.3453 12.3825 12.3825 12.3842 12.3842 12.6239 12.6239 12.6264 12.6264 12.7970 12.7970 14.6591 14.6591 15.3060 15.3060 15.3182 15.3182 19.9469 19.9469 21.4817 21.4817 k = 0.0000 0.0238-0.0000 ( 1859 PWs) bands (ev): 4.1750 4.1750 7.1904 7.1904 7.1911 7.1911 8.2558 8.2558 8.2559 8.2559 8.5979 8.5979 9.3174 9.3174 10.6843 10.6843 10.6861 10.6861 10.9318 10.9318 11.6893 11.6893 11.6922 11.6922 12.1992 12.1992 12.2033 12.2033 12.2245 12.2245 12.3416 12.3416 12.3757 12.3757 12.3826 12.3826 12.6150 12.6150 12.6249 12.6249 12.7901 12.7901 14.6621 14.6621 15.2885 15.2885 15.3357 15.3357 19.9658 19.9658 21.4802 21.4802 k = 0.0000 0.0357-0.0000 ( 1855 PWs) bands (ev): 4.1836 4.1836 7.1930 7.1930 7.1948 7.1948 8.2582 8.2582 8.2584 8.2584 8.6003 8.6003 9.3196 9.3196 10.6835 10.6835 10.6876 10.6876 10.9322 10.9322 11.6865 11.6865 11.6931 11.6931 12.1920 12.1920 12.2013 12.2013 12.2221 12.2221 12.3352 12.3352 12.3642 12.3642 12.3799 12.3799 12.6009 12.6009 12.6223 12.6223 12.7792 12.7792 14.6630 14.6630 15.2641 15.2641 15.3646 15.3646 19.9956 19.9956 21.4777 21.4777 k = 0.0000 0.0476-0.0000 ( 1855 PWs) bands (ev): 4.1956 4.1956 7.1967 7.1967 7.1998 7.1998 8.2615 8.2615 8.2618 8.2618 8.6035 8.6035 9.3225 9.3225 10.6823 10.6823 10.6896 10.6896 10.9327 10.9327 11.6827 11.6827 11.6944 11.6944 12.1811 12.1811 12.1984 12.1984 12.2185 12.2185 12.3264 12.3264 12.3481 12.3481 12.3759 12.3759 12.5830 12.5830 12.6186 12.6186 12.7652 12.7652 14.6550 14.6550 15.2404 15.2404 15.4043 15.4043 20.0340 20.0340 21.4742 21.4742 k = 0.0000 0.0595-0.0000 ( 1863 PWs) bands (ev): 4.2111 4.2111 7.2013 7.2013 7.2061 7.2061 8.2657 8.2657 8.2661 8.2661 8.6078 8.6078 9.3263 9.3263 10.6807 10.6807 10.6921 10.6921 10.9334 10.9334 11.6773 11.6773 11.6960 11.6960 12.1661 12.1661 12.1946 12.1946 12.2136 12.2136 12.3151 12.3151 12.3273 12.3273 12.3706 12.3706 12.5626 12.5626 12.6136 12.6136 12.7489 12.7489 14.6295 14.6295 15.2272 15.2272 15.4542 15.4542 20.0783 20.0783 21.4697 21.4697 k = 0.0000 0.0714-0.0000 ( 1863 PWs) bands (ev): 4.2299 4.2299 7.2070 7.2070 7.2139 7.2139 8.2709 8.2709 8.2714 8.2714 8.6129 8.6129 9.3310 9.3310 10.6788 10.6788 10.6952 10.6952 10.9345 10.9345 11.6713 11.6713 11.6980 11.6980 12.1463 12.1463 12.1898 12.1898 12.2069 12.2069 12.3017 12.3017 12.3024 12.3024 12.3638 12.3638 12.5414 12.5414 12.6073 12.6073 12.7316 12.7316 14.5792 14.5792 15.2330 15.2330 15.5134 15.5134 20.1260 20.1260 21.4642 21.4642 k = 0.0000 0.0833-0.0000 ( 1871 PWs) bands (ev): 4.2521 4.2521 7.2136 7.2136 7.2229 7.2229 8.2770 8.2770 8.2777 8.2777 8.6190 8.6190 9.3364 9.3364 10.6761 10.6761 10.6987 10.6987 10.9356 10.9356 11.6642 11.6642 11.7004 11.7004 12.1210 12.1210 12.1840 12.1840 12.1970 12.1970 12.2745 12.2745 12.2865 12.2865 12.3552 12.3552 12.5211 12.5211 12.5993 12.5993 12.7142 12.7142 14.5022 14.5022 15.2609 15.2609 15.5813 15.5813 20.1745 20.1745 21.4578 21.4578 k = 0.0000 0.0952-0.0000 ( 1867 PWs) bands (ev): 4.2777 4.2777 7.2212 7.2212 7.2332 7.2332 8.2840 8.2840 8.2848 8.2848 8.6260 8.6260 9.3427 9.3427 10.6731 10.6731 10.7029 10.7029 10.9374 10.9374 11.6560 11.6560 11.7031 11.7031 12.0897 12.0897 12.1771 12.1771 12.1809 12.1809 12.2473 12.2473 12.2701 12.2701 12.3447 12.3447 12.5026 12.5026 12.5897 12.5897 12.6977 12.6977 14.4018 14.4018 15.3089 15.3089 15.6570 15.6570 20.2221 20.2221 21.4504 21.4504 k = 0.0000 0.1071-0.0000 ( 1867 PWs) bands (ev): 4.3066 4.3066 7.2297 7.2297 7.2447 7.2447 8.2918 8.2918 8.2927 8.2927 8.6338 8.6338 9.3496 9.3496 10.6695 10.6695 10.7076 10.7076 10.9397 10.9397 11.6467 11.6467 11.7062 11.7062 12.0523 12.0523 12.1533 12.1533 12.1692 12.1692 12.2259 12.2259 12.2528 12.2528 12.3321 12.3321 12.4868 12.4868 12.5779 12.5779 12.6829 12.6829 14.2833 14.2833 15.3728 15.3728 15.7399 15.7399 20.2675 20.2675 21.4421 21.4421 k = 0.0000 0.1190-0.0000 ( 1863 PWs) bands (ev): 4.3388 4.3388 7.2391 7.2391 7.2573 7.2573 8.3006 8.3006 8.3015 8.3015 8.6426 8.6426 9.3573 9.3573 10.6652 10.6652 10.7127 10.7127 10.9424 10.9424 11.6363 11.6363 11.7096 11.7096 12.0092 12.0092 12.1140 12.1140 12.1601 12.1601 12.2115 12.2115 12.2350 12.2350 12.3175 12.3175 12.4736 12.4736 12.5642 12.5642 12.6700 12.6700 14.1513 14.1513 15.4491 15.4491 15.8292 15.8292 20.3102 20.3102 21.4328 21.4328 k = 0.0000 0.1310-0.0000 ( 1863 PWs) bands (ev): 4.3743 4.3743 7.2493 7.2493 7.2710 7.2710 8.3102 8.3102 8.3110 8.3110 8.6523 8.6523 9.3657 9.3657 10.6603 10.6603 10.7182 10.7182 10.9457 10.9457 11.6248 11.6248 11.7134 11.7134 11.9613 11.9613 12.0669 12.0669 12.1499 12.1499 12.2006 12.2006 12.2167 12.2167 12.3009 12.3009 12.4630 12.4630 12.5486 12.5486 12.6591 12.6591 14.0096 14.0096 15.5351 15.5351 15.9243 15.9243 20.3500 20.3500 21.4227 21.4227 k = 0.0000 0.1429-0.0000 ( 1875 PWs) bands (ev): 4.4131 4.4131 7.2602 7.2602 7.2856 7.2856 8.3205 8.3205 8.3211 8.3211 8.6628 8.6628 9.3747 9.3747 10.6543 10.6543 10.7238 10.7238 10.9493 10.9493 11.6121 11.6121 11.7172 11.7172 11.9095 11.9095 12.0147 12.0147 12.1385 12.1385 12.1911 12.1911 12.1978 12.1978 12.2825 12.2825 12.4545 12.4545 12.5313 12.5313 12.6498 12.6498 13.8610 13.8610 15.6287 15.6287 16.0246 16.0246 20.3870 20.3870 21.4117 21.4117 k = 0.0000 0.1548-0.0000 ( 1867 PWs) bands (ev): 4.4550 4.4550 7.2718 7.2718 7.3012 7.3012 8.3318 8.3318 8.3319 8.3319 8.6742 8.6742 9.3844 9.3844 10.6480 10.6480 10.7300 10.7300 10.9537 10.9537 11.5982 11.5982 11.7217 11.7217 11.8550 11.8550 11.9593 11.9593 12.1261 12.1261 12.1783 12.1783 12.1820 12.1820 12.2624 12.2624 12.4479 12.4479 12.5127 12.5127 12.6421 12.6421 13.7077 13.7077 15.7287 15.7287 16.1297 16.1297 20.4217 20.4217 21.3999 21.3999 k = 0.0000 0.1667-0.0000 ( 1867 PWs) bands (ev): 4.5001 4.5001 7.2842 7.2842 7.3175 7.3175 8.3431 8.3431 8.3437 8.3437 8.6863 8.6863 9.3947 9.3947 10.6408 10.6408 10.7363 10.7363 10.9585 10.9585 11.5831 11.5831 11.7265 11.7265 11.7986 11.7986 11.9015 11.9015 12.1127 12.1127 12.1579 12.1579 12.1728 12.1728 12.2409 12.2409 12.4424 12.4424 12.4932 12.4932 12.6354 12.6354 13.5516 13.5516 15.8341 15.8341 16.2391 16.2391 20.4543 20.4543 21.3873 21.3873 k = 0.0000 0.1786-0.0000 ( 1867 PWs) bands (ev): 4.5483 4.5483 7.2971 7.2971 7.3344 7.3344 8.3546 8.3546 8.3564 8.3564 8.6993 8.6993 9.4056 9.4056 10.6330 10.6330 10.7426 10.7426 10.9639 10.9639 11.5665 11.5665 11.7316 11.7316 11.7413 11.7413 11.8423 11.8423 12.0983 12.0983 12.1367 12.1367 12.1632 12.1632 12.2178 12.2178 12.4379 12.4379 12.4729 12.4729 12.6295 12.6295 13.3942 13.3942 15.9440 15.9440 16.3525 16.3525 20.4854 20.4854 21.3740 21.3740 k = 0.0000 0.1905-0.0000 ( 1859 PWs) bands (ev): 4.5996 4.5996 7.3106 7.3106 7.3519 7.3519 8.3664 8.3664 8.3697 8.3697 8.7130 8.7130 9.4171 9.4171 10.6245 10.6245 10.7491 10.7491 10.9697 10.9697 11.5484 11.5484 11.6843 11.6843 11.7370 11.7370 11.7825 11.7825 12.0831 12.0831 12.1145 12.1145 12.1530 12.1530 12.1935 12.1935 12.4341 12.4341 12.4521 12.4521 12.6243 12.6243 13.2368 13.2368 16.0579 16.0579 16.4695 16.4695 20.5153 20.5153 21.3600 21.3600 k = 0.0000 0.2024-0.0000 ( 1859 PWs) bands (ev): 4.6538 4.6538 7.3245 7.3245 7.3698 7.3698 8.3782 8.3782 8.3837 8.3837 8.7275 8.7275 9.4291 9.4291 10.6153 10.6153 10.7551 10.7551 10.9756 10.9756 11.5275 11.5275 11.6288 11.6288 11.7215 11.7215 11.7437 11.7437 12.0670 12.0670 12.0911 12.0911 12.1423 12.1423 12.1679 12.1679 12.4308 12.4308 12.4310 12.4310 12.6197 12.6197 13.0808 13.0808 16.1754 16.1754 16.5899 16.5899 20.5445 20.5445 21.3453 21.3453 k = 0.0000 0.2143-0.0000 ( 1859 PWs) bands (ev): 4.7110 4.7110 7.3389 7.3389 7.3880 7.3880 8.3898 8.3898 8.3982 8.3982 8.7427 8.7427 9.4416 9.4416 10.6055 10.6055 10.7606 10.7606 10.9814 10.9814 11.5024 11.5024 11.5772 11.5772 11.6624 11.6624 11.7493 11.7493 12.0502 12.0502 12.0662 12.0662 12.1308 12.1308 12.1410 12.1410 12.4093 12.4093 12.4283 12.4283 12.6154 12.6154 12.9276 12.9276 16.2960 16.2960 16.7133 16.7133 20.5732 20.5732 21.3301 21.3301 k = 0.0000 0.2262-0.0000 ( 1859 PWs) bands (ev): 4.7709 4.7709 7.3535 7.3535 7.4064 7.4064 8.4011 8.4011 8.4133 8.4133 8.7585 8.7585 9.4547 9.4547 10.5951 10.5951 10.7652 10.7652 10.9869 10.9869 11.4698 11.4698 11.5330 11.5330 11.6040 11.6040 11.7556 11.7556 12.0328 12.0328 12.0395 12.0395 12.1128 12.1128 12.1185 12.1185 12.3876 12.3876 12.4258 12.4258 12.6116 12.6116 12.7786 12.7786 16.4195 16.4195 16.8395 16.8395 20.6018 20.6018 21.3145 21.3145 k = 0.0000 0.2381-0.0000 ( 1871 PWs) bands (ev): 4.8336 4.8336 7.3684 7.3684 7.4246 7.4246 8.4117 8.4117 8.4288 8.4288 8.7749 8.7749 9.4683 9.4683 10.5842 10.5842 10.7685 10.7685 10.9914 10.9914 11.4283 11.4283 11.4982 11.4982 11.5474 11.5474 11.7621 11.7621 12.0103 12.0103 12.0148 12.0148 12.0835 12.0835 12.1053 12.1053 12.3660 12.3660 12.4231 12.4231 12.6080 12.6080 12.6359 12.6359 16.5455 16.5455 16.9684 16.9684 20.6305 20.6305 21.2984 21.2984 k = 0.0000 0.2500-0.0000 ( 1871 PWs) bands (ev): 4.8990 4.8990 7.3835 7.3835 7.4428 7.4428 8.4214 8.4214 8.4447 8.4447 8.7920 8.7920 9.4826 9.4826 10.5730 10.5730 10.7703 10.7703 10.9946 10.9946 11.3825 11.3825 11.4688 11.4688 11.4938 11.4938 11.7688 11.7688 11.9775 11.9775 11.9966 11.9966 12.0533 12.0533 12.0911 12.0911 12.3445 12.3445 12.4187 12.4187 12.5034 12.5034 12.6048 12.6048 16.6738 16.6738 17.0998 17.0998 20.6596 20.6596 21.2820 21.2820 k = 0.0000 0.2619-0.0000 ( 1871 PWs) bands (ev): 4.9668 4.9668 7.3986 7.3986 7.4605 7.4605 8.4298 8.4298 8.4610 8.4610 8.8096 8.8096 9.4974 9.4974 10.5614 10.5614 10.7697 10.7697 10.9954 10.9954 11.3369 11.3369 11.4405 11.4405 11.4441 11.4441 11.7757 11.7757 11.9390 11.9390 11.9781 11.9781 12.0226 12.0226 12.0760 12.0760 12.3232 12.3232 12.3678 12.3678 12.4286 12.4286 12.6018 12.6018 16.8043 16.8043 17.2335 17.2335 20.6892 20.6892 21.2653 21.2653 k = 0.0000 0.2738-0.0000 ( 1863 PWs) bands (ev): 5.0370 5.0370 7.4138 7.4138 7.4777 7.4777 8.4366 8.4366 8.4775 8.4775 8.8277 8.8277 9.5130 9.5130 10.5496 10.5496 10.7663 10.7663 10.9929 10.9929 11.2940 11.2940 11.3999 11.3999 11.4114 11.4114 11.7828 11.7828 11.8923 11.8923 11.9595 11.9595 11.9920 11.9920 12.0598 12.0598 12.2623 12.2623 12.3024 12.3024 12.4229 12.4229 12.5991 12.5991 16.9366 16.9366 17.3693 17.3693 20.7195 20.7195 21.2485 21.2485 k = 0.0000 0.2857-0.0000 ( 1863 PWs) bands (ev): 5.1094 5.1094 7.4289 7.4289 7.4941 7.4941 8.4414 8.4414 8.4942 8.4942 8.8462 8.8462 9.5295 9.5295 10.5376 10.5376 10.7590 10.7590 10.9852 10.9852 11.2546 11.2546 11.3626 11.3626 11.3800 11.3800 11.7896 11.7896 11.8356 11.8356 11.9410 11.9410 11.9620 11.9620 12.0425 12.0425 12.1708 12.1708 12.2820 12.2820 12.4211 12.4211 12.5966 12.5966 17.0707 17.0707 17.5072 17.5072 20.7507 20.7507 21.2318 21.2318 k = 0.0000 0.2976-0.0000 ( 1859 PWs) bands (ev): 5.1839 5.1839 7.4438 7.4438 7.5096 7.5096 8.4438 8.4438 8.5109 8.5109 8.8650 8.8650 9.5468 9.5468 10.5254 10.5254 10.7474 10.7474 10.9715 10.9715 11.2193 11.2193 11.3336 11.3336 11.3456 11.3456 11.7701 11.7701 11.7961 11.7961 11.9235 11.9235 11.9331 11.9331 12.0241 12.0241 12.0969 12.0969 12.2621 12.2621 12.4198 12.4198 12.5943 12.5943 17.2064 17.2064 17.6471 17.6471 20.7828 20.7828 21.2150 21.2150 k = 0.0000 0.3095-0.0000 ( 1859 PWs) bands (ev): 5.2602 5.2602 7.4584 7.4584 7.5237 7.5237 8.4434 8.4434 8.5276 8.5276 8.8841 8.8841 9.5652 9.5652 10.5133 10.5133 10.7311 10.7311 10.9510 10.9510 11.1869 11.1869 11.3081 11.3081 11.3137 11.3137 11.7011 11.7011 11.8017 11.8017 11.9051 11.9051 11.9066 11.9066 12.0048 12.0048 12.0380 12.0380 12.2430 12.2430 12.4188 12.4188 12.5921 12.5921 17.3435 17.3435 17.7887 17.7887 20.8158 20.8158 21.1985 21.1985 k = 0.0000 0.3214-0.0000 ( 1859 PWs) bands (ev): 5.3381 5.3381 7.4727 7.4727 7.5363 7.5363 8.4400 8.4400 8.5441 8.5441 8.9034 8.9034 9.5847 9.5847 10.5012 10.5012 10.7100 10.7100 10.9241 10.9241 11.1542 11.1542 11.2701 11.2701 11.3026 11.3026 11.6353 11.6353 11.8058 11.8058 11.8780 11.8780 11.8915 11.8915 11.9848 11.9848 11.9896 11.9896 12.2246 12.2246 12.4180 12.4180 12.5902 12.5902 17.4817 17.4817 17.9321 17.9321 20.8499 20.8499 21.1822 21.1822 k = 0.0000 0.3333-0.0000 ( 1867 PWs) bands (ev): 5.4174 5.4174 7.4865 7.4865 7.5471 7.5471 8.4332 8.4332 8.5603 8.5603 8.9226 8.9226 9.6057 9.6057 10.4893 10.4893 10.6845 10.6845 10.8922 10.8922 11.1148 11.1148 11.2373 11.2373 11.2993 11.2993 11.5771 11.5771 11.8071 11.8071 11.8518 11.8518 11.8792 11.8792 11.9479 11.9479 11.9640 11.9640 12.2066 12.2066 12.4173 12.4173 12.5884 12.5884 17.6209 17.6209 18.0771 18.0771 20.8848 20.8848 21.1663 21.1663 k = 0.0000 0.3452-0.0000 ( 1863 PWs) bands (ev): 5.4977 5.4977 7.4999 7.4999 7.5557 7.5557 8.4230 8.4230 8.5762 8.5762 8.9419 8.9419 9.6282 9.6282 10.4777 10.4777 10.6553 10.6553 10.8570 10.8570 11.0637 11.0637 11.2155 11.2155 11.3022 11.3022 11.5288 11.5288 11.8041 11.8041 11.8264 11.8264 11.8709 11.8709 11.9108 11.9108 11.9437 11.9437 12.1896 12.1896 12.4167 12.4167 12.5868 12.5868 17.7610 17.7610 18.2236 18.2236 20.9204 20.9204 21.1509 21.1509 k = 0.0000 0.3571-0.0000 ( 1863 PWs) bands (ev): 5.5785 5.5785 7.5126 7.5126 7.5618 7.5618 8.4095 8.4095 8.5915 8.5915 8.9609 8.9609 9.6524 9.6524 10.4665 10.4665 10.6232 10.6232 10.8200 10.8200 11.0030 11.0030 11.2045 11.2045 11.3098 11.3098 11.4894 11.4894 11.7965 11.7965 11.8019 11.8019 11.8655 11.8655 11.8767 11.8767 11.9251 11.9251 12.1731 12.1731 12.4162 12.4162 12.5853 12.5853 17.9015 17.9015 18.3715 18.3715 20.9561 20.9561 21.1362 21.1362 k = 0.0000 0.3690-0.0000 ( 1867 PWs) bands (ev): 5.6596 5.6596 7.5246 7.5246 7.5650 7.5650 8.3930 8.3930 8.6062 8.6062 8.9794 8.9794 9.6785 9.6785 10.4557 10.4557 10.5888 10.5888 10.7825 10.7825 10.9378 10.9378 11.2008 11.2008 11.3209 11.3209 11.4578 11.4578 11.7785 11.7785 11.7856 11.7856 11.8449 11.8449 11.8585 11.8585 11.9117 11.9117 12.1572 12.1572 12.4156 12.4156 12.5839 12.5839 18.0422 18.0422 18.5207 18.5207 20.9909 20.9909 21.1222 21.1222 k = 0.0000 0.3810-0.0000 ( 1868 PWs) bands (ev): 5.7403 5.7403 7.5359 7.5359 7.5649 7.5649 8.3738 8.3738 8.6202 8.6202 8.9975 8.9975 9.7065 9.7065 10.4454 10.4454 10.5529 10.5529 10.7458 10.7458 10.8727 10.8727 11.2018 11.2018 11.3348 11.3348 11.4323 11.4323 11.7560 11.7560 11.7732 11.7732 11.8149 11.8149 11.8450 11.8450 11.9071 11.9071 12.1419 12.1419 12.4152 12.4152 12.5827 12.5827 18.1827 18.1827 18.6711 18.6711 21.0226 21.0226 21.1090 21.1090 k = 0.0000 0.3929-0.0000 ( 1868 PWs) bands (ev): 5.8199 5.8199 7.5464 7.5464 7.5614 7.5614 8.3529 8.3529 8.6333 8.6333 9.0148 9.0148 9.7366 9.7366 10.4358 10.4358 10.5156 10.5156 10.7107 10.7107 10.8106 10.8106 11.2057 11.2057 11.3506 11.3506 11.4120 11.4120 11.7346 11.7346 11.7604 11.7604 11.7866 11.7866 11.8255 11.8255 11.9096 11.9096 12.1271 12.1271 12.4148 12.4148 12.5816 12.5816 18.3225 18.3225 18.8226 18.8226 21.0459 21.0459 21.0968 21.0968 k = 0.0000 0.4048-0.0000 ( 1868 PWs) bands (ev): 5.8976 5.8976 7.5541 7.5541 7.5559 7.5559 8.3309 8.3309 8.6455 8.6455 9.0312 9.0312 9.7686 9.7686 10.4269 10.4269 10.4769 10.4769 10.6776 10.6776 10.7535 10.7535 11.2110 11.2110 11.3680 11.3680 11.3963 11.3963 11.7144 11.7144 11.7480 11.7480 11.7603 11.7603 11.8032 11.8032 11.9159 11.9159 12.1127 12.1127 12.4146 12.4146 12.5807 12.5807 18.4609 18.4609 18.9749 18.9749 21.0494 21.0494 21.0856 21.0856 k = 0.0000 0.4167-0.0000 ( 1868 PWs) bands (ev): 5.9724 5.9724 7.5432 7.5432 7.5645 7.5645 8.3091 8.3091 8.6565 8.6565 9.0464 9.0464 9.8025 9.8025 10.4187 10.4187 10.4366 10.4366 10.6472 10.6472 10.7030 10.7030 11.2168 11.2168 11.3848 11.3848 11.3864 11.3864 11.6953 11.6953 11.7361 11.7361 11.7362 11.7362 11.7800 11.7800 11.9240 11.9240 12.0988 12.0988 12.4143 12.4143 12.5799 12.5799 18.5969 18.5969 19.1279 19.1279 21.0153 21.0153 21.0754 21.0754 k = 0.0000 0.4286-0.0000 ( 1860 PWs) bands (ev): 6.0431 6.0431 7.5290 7.5290 7.5721 7.5721 8.2882 8.2882 8.6663 8.6663 9.0602 9.0602 9.8383 9.8383 10.3946 10.3946 10.4115 10.4115 10.6202 10.6202 10.6600 10.6600 11.2222 11.2222 11.3775 11.3775 11.4056 11.4056 11.6772 11.6772 11.7147 11.7147 11.7251 11.7251 11.7570 11.7570 11.9331 11.9331 12.0853 12.0853 12.4141 12.4141 12.5792 12.5792 18.7292 18.7292 19.2811 19.2811 20.9389 20.9389 21.0664 21.0664 k = 0.0000 0.4405-0.0000 ( 1864 PWs) bands (ev): 6.1081 6.1081 7.5124 7.5124 7.5786 7.5786 8.2694 8.2694 8.6748 8.6748 9.0724 9.0724 9.8756 9.8756 10.3510 10.3510 10.4052 10.4052 10.5964 10.5964 10.6246 10.6246 11.2265 11.2265 11.3738 11.3738 11.4249 11.4249 11.6599 11.6599 11.6963 11.6963 11.7138 11.7138 11.7356 11.7356 11.9428 11.9428 12.0723 12.0723 12.4139 12.4139 12.5786 12.5786 18.8558 18.8558 19.4340 19.4340 20.8383 20.8383 21.0583 21.0583 k = 0.0000 0.4524-0.0000 ( 1856 PWs) bands (ev): 6.1656 6.1656 7.4947 7.4947 7.5840 7.5840 8.2533 8.2533 8.6819 8.6819 9.0827 9.0827 9.9140 9.9140 10.3067 10.3067 10.4001 10.4001 10.5765 10.5765 10.5966 10.5966 11.2297 11.2297 11.3733 11.3733 11.4439 11.4439 11.6439 11.6439 11.6816 11.6816 11.7002 11.7002 11.7192 11.7192 11.9528 11.9528 12.0601 12.0601 12.4138 12.4138 12.5782 12.5782 18.9735 18.9735 19.5856 19.5856 20.7323 20.7323 20.9742 20.9742 k = 0.0000 0.4643-0.0000 ( 1856 PWs) bands (ev): 6.2137 6.2137 7.4776 7.4776 7.5882 7.5882 8.2404 8.2404 8.6874 8.6874 9.0910 9.0910 9.9528 9.9528 10.2626 10.2626 10.3959 10.3959 10.5608 10.5608 10.5756 10.5756 11.2316 11.2316 11.3749 11.3749 11.4617 11.4617 11.6298 11.6298 11.6703 11.6703 11.6834 11.6834 11.7095 11.7095 11.9627 11.9627 12.0483 12.0483 12.4137 12.4137 12.5778 12.5778 19.0780 19.0780 19.7336 19.7336 20.6333 20.6333 20.8208 20.8208 k = 0.0000 0.4762-0.0000 ( 1856 PWs) bands (ev): 6.2501 6.2501 7.4633 7.4633 7.5913 7.5913 8.2310 8.2310 8.6915 8.6915 9.0970 9.0970 9.9903 9.9903 10.2211 10.2211 10.3929 10.3929 10.5494 10.5494 10.5611 10.5611 11.2326 11.2326 11.3773 11.3773 11.4770 11.4770 11.6186 11.6186 11.6624 11.6624 11.6675 11.6675 11.7038 11.7038 11.9720 11.9720 12.0378 12.0378 12.4136 12.4136 12.5776 12.5776 19.1625 19.1625 19.8729 19.8729 20.5511 20.5511 20.6775 20.6775 k = 0.0000 0.4881-0.0000 ( 1856 PWs) bands (ev): 6.2729 6.2729 7.4537 7.4537 7.5931 7.5931 8.2253 8.2253 8.6939 8.6939 9.1007 9.1007 10.0221 10.0221 10.1868 10.1868 10.3910 10.3910 10.5424 10.5424 10.5525 10.5525 11.2330 11.2330 11.3795 11.3795 11.4878 11.4878 11.6113 11.6113 11.6561 11.6561 11.6577 11.6577 11.7007 11.7007 11.9794 11.9794 12.0296 12.0296 12.4136 12.4136 12.5774 12.5774 19.2188 19.2188 19.9883 19.9883 20.4959 20.4959 20.5596 20.5596 k = 0.0000 0.5000-0.0000 ( 1840 PWs) bands (ev): 6.2807 6.2807 7.4503 7.4503 7.5937 7.5937 8.2234 8.2234 8.6947 8.6947 9.1020 9.1020 10.0363 10.0363 10.1717 10.1717 10.3908 10.3908 10.5401 10.5401 10.5497 10.5497 11.2336 11.2336 11.3804 11.3804 11.4918 11.4918 11.6091 11.6091 11.6520 11.6520 11.6564 11.6564 11.6997 11.6997 11.9825 11.9825 12.0264 12.0264 12.4136 12.4136 12.5774 12.5774 19.2387 19.2387 20.0394 20.0394 20.4762 20.4762 20.5077 20.5077 k = 0.0000 0.5000-0.0000 ( 1840 PWs) bands (ev): 6.2807 6.2807 7.4503 7.4503 7.5937 7.5937 8.2234 8.2234 8.6947 8.6947 9.1020 9.1020 10.0363 10.0363 10.1717 10.1717 10.3908 10.3908 10.5401 10.5401 10.5497 10.5497 11.2336 11.2336 11.3804 11.3804 11.4918 11.4918 11.6091 11.6091 11.6520 11.6520 11.6564 11.6564 11.6997 11.6997 11.9825 11.9825 12.0264 12.0264 12.4136 12.4136 12.5774 12.5774 19.2387 19.2387 20.0394 20.0394 20.4762 20.4762 20.5077 20.5077 k = 0.0119 0.5000-0.0000 ( 1858 PWs) bands (ev): 6.2823 6.2823 7.4500 7.4500 7.5946 7.5946 8.2239 8.2239 8.6951 8.6951 9.1019 9.1019 10.0368 10.0368 10.1704 10.1704 10.3904 10.3904 10.5402 10.5402 10.5497 10.5497 11.2299 11.2299 11.3822 11.3822 11.4930 11.4930 11.6082 11.6082 11.6473 11.6473 11.6614 11.6614 11.6998 11.6998 11.9832 11.9832 12.0266 12.0266 12.4129 12.4129 12.5760 12.5760 19.2297 19.2297 20.0257 20.0257 20.4296 20.4296 20.4975 20.4975 k = 0.0238 0.5000-0.0000 ( 1858 PWs) bands (ev): 6.2872 6.2872 7.4491 7.4491 7.5974 7.5974 8.2254 8.2254 8.6965 8.6965 9.1017 9.1017 10.0384 10.0384 10.1667 10.1667 10.3910 10.3910 10.5403 10.5403 10.5495 10.5495 11.2206 11.2206 11.3871 11.3871 11.4968 11.4968 11.6061 11.6061 11.6422 11.6422 11.6684 11.6684 11.6999 11.6999 11.9858 11.9858 12.0279 12.0279 12.4110 12.4110 12.5721 12.5721 19.2011 19.2011 19.9898 19.9898 20.2930 20.2930 20.5002 20.5002 k = 0.0357 0.5000-0.0000 ( 1862 PWs) bands (ev): 6.2954 6.2954 7.4476 7.4476 7.6020 7.6020 8.2279 8.2279 8.6988 8.6988 9.1014 9.1014 10.0411 10.0411 10.1605 10.1605 10.3921 10.3921 10.5404 10.5404 10.5491 10.5491 11.2065 11.2065 11.3934 11.3934 11.5030 11.5030 11.6026 11.6026 11.6381 11.6381 11.6753 11.6753 11.7002 11.7002 11.9900 11.9900 12.0304 12.0304 12.4078 12.4078 12.5657 12.5657 19.1484 19.1484 19.9439 19.9439 20.1191 20.1191 20.5084 20.5084 k = 0.0476 0.5000-0.0000 ( 1862 PWs) bands (ev): 6.3067 6.3067 7.4456 7.4456 7.6083 7.6083 8.2315 8.2315 8.7021 8.7021 9.1010 9.1010 10.0448 10.0448 10.1521 10.1521 10.3937 10.3937 10.5404 10.5404 10.5486 10.5486 11.1896 11.1896 11.3997 11.3997 11.5111 11.5111 11.5983 11.5983 11.6353 11.6353 11.6819 11.6819 11.7006 11.7006 11.9960 11.9960 12.0339 12.0339 12.4033 12.4033 12.5567 12.5567 19.0670 19.0670 19.8917 19.8917 19.9404 19.9404 20.5204 20.5204 k = 0.0595 0.5000-0.0000 ( 1862 PWs) bands (ev): 6.3213 6.3213 7.4433 7.4433 7.6161 7.6161 8.2362 8.2362 8.7062 8.7062 9.1006 9.1006 10.0495 10.0495 10.1418 10.1418 10.3956 10.3956 10.5401 10.5401 10.5480 10.5480 11.1709 11.1709 11.4051 11.4051 11.5203 11.5203 11.5940 11.5940 11.6335 11.6335 11.6879 11.6879 11.7010 11.7010 12.0037 12.0037 12.0390 12.0390 12.3976 12.3976 12.5454 12.5454 18.9558 18.9558 19.7217 19.7217 19.8869 19.8869 20.5359 20.5359 k = 0.0714 0.5000-0.0000 ( 1862 PWs) bands (ev): 6.3391 6.3391 7.4406 7.4406 7.6253 7.6253 8.2419 8.2419 8.7113 8.7113 9.1001 9.1001 10.0550 10.0550 10.1298 10.1298 10.3979 10.3979 10.5392 10.5392 10.5474 10.5474 11.1510 11.1510 11.4093 11.4093 11.5290 11.5290 11.5907 11.5907 11.6325 11.6325 11.6931 11.6931 11.7015 11.7015 12.0133 12.0133 12.0457 12.0457 12.3906 12.3906 12.5318 12.5318 18.8180 18.8180 19.5202 19.5202 19.8794 19.8794 20.5549 20.5549 k = 0.0833 0.5000-0.0000 ( 1858 PWs) bands (ev): 6.3600 6.3600 7.4376 7.4376 7.6358 7.6358 8.2489 8.2489 8.7174 8.7174 9.0996 9.0996 10.0612 10.0612 10.1166 10.1166 10.4006 10.4006 10.5375 10.5375 10.5471 10.5471 11.1306 11.1306 11.4124 11.4124 11.5351 11.5351 11.5899 11.5899 11.6323 11.6323 11.6972 11.6972 11.7021 11.7021 12.0245 12.0245 12.0545 12.0545 12.3825 12.3825 12.5160 12.5160 18.6597 18.6597 19.3159 19.3159 19.8901 19.8901 20.5772 20.5772 k = 0.0952 0.5000-0.0000 ( 1858 PWs) bands (ev): 6.3840 6.3840 7.4344 7.4344 7.6475 7.6475 8.2570 8.2570 8.7244 8.7244 9.0991 9.0991 10.0672 10.0672 10.1033 10.1033 10.4037 10.4037 10.5344 10.5344 10.5471 10.5471 11.1099 11.1099 11.4143 11.4143 11.5371 11.5371 11.5922 11.5922 11.6327 11.6327 11.6998 11.6998 11.7033 11.7033 12.0374 12.0374 12.0658 12.0658 12.3732 12.3732 12.4981 12.4981 18.4868 18.4868 19.1111 19.1111 19.9155 19.9155 20.6029 20.6029 k = 0.1071 0.5000-0.0000 ( 1862 PWs) bands (ev): 6.4110 6.4110 7.4309 7.4309 7.6603 7.6603 8.2664 8.2664 8.7323 8.7323 9.0986 9.0986 10.0687 10.0687 10.0941 10.0941 10.4071 10.4071 10.5298 10.5298 10.5473 10.5473 11.0890 11.0890 11.4153 11.4153 11.5350 11.5350 11.5968 11.5968 11.6340 11.6340 11.7006 11.7006 11.7052 11.7052 12.0519 12.0519 12.0799 12.0799 12.3627 12.3627 12.4783 12.4783 18.3040 18.3040 18.9068 18.9068 19.9526 19.9526 20.6318 20.6318 k = 0.1190 0.5000-0.0000 ( 1862 PWs) bands (ev): 6.4411 6.4411 7.4272 7.4272 7.6741 7.6741 8.2771 8.2771 8.7413 8.7413 9.0983 9.0983 10.0589 10.0589 10.0964 10.0964 10.4109 10.4109 10.5242 10.5242 10.5477 10.5477 11.0683 11.0683 11.4153 11.4153 11.5303 11.5303 11.6017 11.6017 11.6360 11.6360 11.7006 11.7006 11.7069 11.7069 12.0680 12.0680 12.0969 12.0969 12.3512 12.3512 12.4569 12.4569 18.1149 18.1149 18.7038 18.7038 19.9997 19.9997 20.6640 20.6640 k = 0.1310 0.5000-0.0000 ( 1862 PWs) bands (ev): 6.4740 6.4740 7.4233 7.4233 7.6888 7.6888 8.2892 8.2892 8.7512 8.7512 9.0980 9.0980 10.0429 10.0429 10.1051 10.1051 10.4150 10.4150 10.5172 10.5172 10.5481 10.5481 11.0478 11.0478 11.4143 11.4143 11.5242 11.5242 11.6055 11.6055 11.6386 11.6386 11.7001 11.7001 11.7080 11.7080 12.0859 12.0859 12.1168 12.1168 12.3387 12.3387 12.4340 12.4340 17.9220 17.9220 18.5025 18.5025 20.0553 20.0553 20.6994 20.6994 k = 0.1429 0.5000-0.0000 ( 1862 PWs) bands (ev): 6.5098 6.5098 7.4191 7.4191 7.7043 7.7043 8.3026 8.3026 8.7620 8.7620 9.0979 9.0979 10.0249 10.0249 10.1161 10.1161 10.4193 10.4193 10.5087 10.5087 10.5486 10.5486 11.0276 11.0276 11.4123 11.4123 11.5176 11.5176 11.6080 11.6080 11.6412 11.6412 11.6991 11.6991 11.7085 11.7085 12.1058 12.1058 12.1393 12.1393 12.3252 12.3252 12.4098 12.4098 17.7271 17.7271 18.3033 18.3033 20.1183 20.1183 20.7379 20.7379 k = 0.1548 0.5000-0.0000 ( 1862 PWs) bands (ev): 6.5483 6.5483 7.4146 7.4146 7.7206 7.7206 8.3174 8.3174 8.7739 8.7739 9.0981 9.0981 10.0060 10.0060 10.1284 10.1284 10.4238 10.4238 10.4993 10.4993 10.5493 10.5493 11.0077 11.0077 11.4088 11.4088 11.5109 11.5109 11.6093 11.6093 11.6428 11.6428 11.6977 11.6977 11.7081 11.7081 12.1277 12.1277 12.1644 12.1644 12.3109 12.3109 12.3847 12.3847 17.5316 17.5316 18.1066 18.1066 20.1880 20.1880 20.7796 20.7796 k = 0.1667 0.5000-0.0000 ( 1860 PWs) bands (ev): 6.5894 6.5894 7.4099 7.4099 7.7376 7.7376 8.3336 8.3336 8.7867 8.7867 9.0985 9.0985 9.9867 9.9867 10.1417 10.1417 10.4286 10.4286 10.4885 10.4885 10.5499 10.5499 10.9884 10.9884 11.4036 11.4036 11.5046 11.5046 11.6098 11.6098 11.6434 11.6434 11.6958 11.6958 11.7070 11.7070 12.1512 12.1512 12.1918 12.1918 12.2958 12.2958 12.3592 12.3592 17.3364 17.3364 17.9125 17.9125 20.2637 20.2637 20.8242 20.8242 k = 0.1786 0.5000-0.0000 ( 1864 PWs) bands (ev): 6.6330 6.6330 7.4049 7.4049 7.7553 7.7553 8.3512 8.3512 8.8004 8.8004 9.0991 9.0991 9.9671 9.9671 10.1558 10.1558 10.4334 10.4334 10.4767 10.4767 10.5504 10.5504 10.9694 10.9694 11.3963 11.3963 11.4990 11.4990 11.6098 11.6098 11.6425 11.6425 11.6934 11.6934 11.7049 11.7049 12.1753 12.1753 12.2210 12.2210 12.2804 12.2804 12.3342 12.3342 17.1424 17.1424 17.7213 17.7213 20.3451 20.3451 20.8718 20.8718 k = 0.1905 0.5000-0.0000 ( 1864 PWs) bands (ev): 6.6790 6.6790 7.3997 7.3997 7.7736 7.7736 8.3701 8.3701 8.8152 8.8152 9.1002 9.1002 9.9474 9.9474 10.1706 10.1706 10.4375 10.4375 10.4646 10.4646 10.5509 10.5509 10.9510 10.9510 11.3866 11.3866 11.4945 11.4945 11.6094 11.6094 11.6404 11.6404 11.6904 11.6904 11.7019 11.7019 12.1973 12.1973 12.2495 12.2495 12.2679 12.2679 12.3119 12.3119 16.9502 16.9502 17.5333 17.5333 20.4316 20.4316 20.9222 20.9222 k = 0.2024 0.5000-0.0000 ( 1856 PWs) bands (ev): 6.7271 6.7271 7.3942 7.3942 7.7926 7.7926 8.3903 8.3903 8.8308 8.8308 9.1016 9.1016 9.9277 9.9277 10.1862 10.1862 10.4377 10.4377 10.4555 10.4555 10.5514 10.5514 10.9332 10.9332 11.3746 11.3746 11.4912 11.4912 11.6089 11.6089 11.6372 11.6372 11.6868 11.6868 11.6980 11.6980 12.2093 12.2093 12.2481 12.2481 12.2860 12.2860 12.3019 12.3019 16.7603 16.7603 17.3484 17.3484 20.5230 20.5230 20.9755 20.9755 k = 0.2143 0.5000-0.0000 ( 1850 PWs) bands (ev): 6.7772 6.7772 7.3885 7.3885 7.8123 7.8123 8.4116 8.4116 8.8473 8.8473 9.1035 9.1035 9.9082 9.9082 10.2025 10.2025 10.4273 10.4273 10.4559 10.4559 10.5519 10.5519 10.9160 10.9160 11.3599 11.3599 11.4891 11.4891 11.6081 11.6081 11.6330 11.6330 11.6825 11.6825 11.6932 11.6932 12.2019 12.2019 12.2331 12.2331 12.3038 12.3038 12.3277 12.3277 16.5733 16.5733 17.1669 17.1669 20.6188 20.6188 21.0314 21.0314 k = 0.2262 0.5000-0.0000 ( 1852 PWs) bands (ev): 6.8290 6.8290 7.3826 7.3826 7.8327 7.8327 8.4341 8.4341 8.8647 8.8647 9.1059 9.1059 9.8887 9.8887 10.2189 10.2189 10.4116 10.4116 10.4606 10.4606 10.5523 10.5523 10.8995 10.8995 11.3429 11.3429 11.4879 11.4879 11.6069 11.6069 11.6280 11.6280 11.6772 11.6772 11.6876 11.6876 12.1823 12.1823 12.2134 12.2134 12.3294 12.3294 12.3648 12.3648 16.3894 16.3894 16.9889 16.9889 20.7189 20.7189 21.0900 21.0900 k = 0.2381 0.5000-0.0000 ( 1852 PWs) bands (ev): 6.8822 6.8822 7.3766 7.3766 7.8538 7.8538 8.4575 8.4575 8.8828 8.8828 9.1089 9.1089 9.8695 9.8695 10.2357 10.2357 10.3942 10.3942 10.4663 10.4663 10.5526 10.5526 10.8836 10.8836 11.3235 11.3235 11.4877 11.4877 11.6054 11.6054 11.6226 11.6226 11.6712 11.6712 11.6812 11.6812 12.1578 12.1578 12.1926 12.1926 12.3612 12.3612 12.4045 12.4045 16.2092 16.2092 16.8146 16.8146 20.8229 20.8229 21.1511 21.1511 k = 0.2500 0.5000-0.0000 ( 1852 PWs) bands (ev): 6.9366 6.9366 7.3705 7.3705 7.8757 7.8757 8.4818 8.4818 8.9016 8.9016 9.1125 9.1125 9.8506 9.8506 10.2524 10.2524 10.3759 10.3759 10.4724 10.4724 10.5529 10.5529 10.8684 10.8684 11.3019 11.3019 11.4881 11.4881 11.6031 11.6031 11.6171 11.6171 11.6644 11.6644 11.6742 11.6742 12.1311 12.1311 12.1717 12.1717 12.3960 12.3960 12.4462 12.4462 16.0328 16.0328 16.6440 16.6440 20.9305 20.9305 21.2147 21.2147 k = 0.2619 0.5000-0.0000 ( 1856 PWs) bands (ev): 6.9916 6.9916 7.3645 7.3645 7.8985 7.8985 8.5068 8.5068 8.9210 8.9210 9.1169 9.1169 9.8320 9.8320 10.2682 10.2682 10.3577 10.3577 10.4787 10.4787 10.5531 10.5531 10.8539 10.8539 11.2783 11.2783 11.4890 11.4890 11.5994 11.5994 11.6124 11.6124 11.6571 11.6571 11.6665 11.6665 12.1033 12.1033 12.1506 12.1506 12.4328 12.4328 12.4895 12.4895 15.8605 15.8605 16.4772 16.4772 21.0414 21.0414 21.2806 21.2806 k = 0.2738 0.5000-0.0000 ( 1856 PWs) bands (ev): 7.0469 7.0469 7.3588 7.3588 7.9224 7.9224 8.5322 8.5322 8.9407 8.9407 9.1222 9.1222 9.8136 9.8136 10.2808 10.2808 10.3421 10.3421 10.4850 10.4850 10.5532 10.5532 10.8403 10.8403 11.2529 11.2529 11.4902 11.4902 11.5940 11.5940 11.6087 11.6087 11.6495 11.6495 11.6582 11.6582 12.0752 12.0752 12.1296 12.1296 12.4710 12.4710 12.5344 12.5344 15.6927 15.6927 16.3144 16.3144 21.1553 21.1553 21.3488 21.3488 k = 0.2857 0.5000-0.0000 ( 1864 PWs) bands (ev): 7.1016 7.1016 7.3537 7.3537 7.9475 7.9475 8.5580 8.5580 8.9607 8.9607 9.1284 9.1284 9.7956 9.7956 10.2828 10.2828 10.3360 10.3360 10.4914 10.4914 10.5530 10.5530 10.8274 10.8274 11.2255 11.2255 11.4915 11.4915 11.5872 11.5872 11.6057 11.6057 11.6420 11.6420 11.6492 11.6492 12.0473 12.0473 12.1083 12.1083 12.5106 12.5106 12.5808 12.5808 15.5296 15.5296 16.1557 16.1557 21.2717 21.2717 21.4193 21.4193 k = 0.2976 0.5000-0.0000 ( 1866 PWs) bands (ev): 7.1548 7.1548 7.3498 7.3498 7.9741 7.9741 8.5839 8.5839 8.9806 8.9806 9.1357 9.1357 9.7778 9.7778 10.2701 10.2701 10.3441 10.3441 10.4977 10.4977 10.5530 10.5530 10.8153 10.8153 11.1965 11.1965 11.4927 11.4927 11.5799 11.5799 11.6023 11.6023 11.6352 11.6352 11.6396 11.6396 12.0198 12.0198 12.0871 12.0871 12.5513 12.5513 12.6285 12.6285 15.3714 15.3714 16.0012 16.0012 21.3899 21.3899 21.4923 21.4923 k = 0.3095 0.5000-0.0000 ( 1866 PWs) bands (ev): 7.2045 7.2045 7.3485 7.3485 8.0023 8.0023 8.6097 8.6097 9.0002 9.0002 9.1444 9.1444 9.7603 9.7603 10.2498 10.2498 10.3592 10.3592 10.5040 10.5040 10.5529 10.5529 10.8041 10.8041 11.1660 11.1660 11.4936 11.4936 11.5723 11.5723 11.5984 11.5984 11.6285 11.6285 11.6308 11.6308 11.9930 11.9930 12.0658 12.0658 12.5931 12.5931 12.6775 12.6775 15.2182 15.2182 15.8509 15.8509 21.5081 21.5081 21.5693 21.5693 k = 0.3214 0.5000-0.0000 ( 1870 PWs) bands (ev): 7.2467 7.2467 7.3533 7.3533 8.0325 8.0325 8.6352 8.6352 9.0192 9.0192 9.1545 9.1545 9.7428 9.7428 10.2266 10.2266 10.3763 10.3763 10.5101 10.5101 10.5525 10.5525 10.7937 10.7937 11.1342 11.1342 11.4936 11.4936 11.5647 11.5647 11.5938 11.5938 11.6181 11.6181 11.6268 11.6268 11.9669 11.9669 12.0443 12.0443 12.6361 12.6361 12.7276 12.7276 15.0703 15.0703 15.7051 15.7051 21.6170 21.6170 21.6588 21.6588 k = 0.3333 0.5000-0.0000 ( 1870 PWs) bands (ev): 7.2743 7.2743 7.3709 7.3709 8.0648 8.0648 8.6603 8.6603 9.0373 9.0373 9.1663 9.1663 9.7254 9.7254 10.2021 10.2021 10.3943 10.3943 10.5161 10.5161 10.5523 10.5523 10.7844 10.7844 11.1013 11.1013 11.4926 11.4926 11.5570 11.5570 11.5891 11.5891 11.6071 11.6071 11.6248 11.6248 11.9417 11.9417 12.0230 12.0230 12.6802 12.6802 12.7788 12.7788 14.9278 14.9278 15.5639 15.5639 21.7046 21.7046 21.7722 21.7722 k = 0.3452 0.5000-0.0000 ( 1866 PWs) bands (ev): 7.2851 7.2851 7.4028 7.4028 8.0994 8.0994 8.6847 8.6847 9.0542 9.0542 9.1797 9.1797 9.7078 9.7078 10.1769 10.1769 10.4125 10.4125 10.5218 10.5218 10.5519 10.5519 10.7759 10.7759 11.0675 11.0675 11.4901 11.4901 11.5491 11.5491 11.5845 11.5845 11.5969 11.5969 11.6241 11.6241 11.9175 11.9175 12.0019 12.0019 12.7254 12.7254 12.8311 12.8311 14.7907 14.7907 15.4273 15.4273 21.7844 21.7844 21.8951 21.8951 k = 0.3571 0.5000-0.0000 ( 1862 PWs) bands (ev): 7.2869 7.2869 7.4408 7.4408 8.1364 8.1364 8.7083 8.7083 9.0698 9.0698 9.1947 9.1947 9.6900 9.6900 10.1515 10.1515 10.4305 10.4305 10.5271 10.5271 10.5516 10.5516 10.7685 10.7685 11.0330 11.0330 11.4862 11.4862 11.5407 11.5407 11.5771 11.5771 11.5909 11.5909 11.6244 11.6244 11.8945 11.8945 11.9811 11.9811 12.7717 12.7717 12.8843 12.8843 14.6592 14.6592 15.2957 15.2957 21.8630 21.8630 22.0203 22.0203 k = 0.3690 0.5000-0.0000 ( 1870 PWs) bands (ev): 7.2850 7.2850 7.4791 7.4791 8.1756 8.1756 8.7310 8.7310 9.0840 9.0840 9.2111 9.2111 9.6716 9.6716 10.1261 10.1261 10.4482 10.4482 10.5321 10.5321 10.5512 10.5512 10.7620 10.7620 10.9981 10.9981 11.4811 11.4811 11.5319 11.5319 11.5660 11.5660 11.5906 11.5906 11.6252 11.6252 11.8724 11.8724 11.9604 11.9604 12.8192 12.8192 12.9382 12.9382 14.5333 14.5333 15.1691 15.1691 21.9410 21.9410 22.1457 22.1457 k = 0.3810 0.5000-0.0000 ( 1866 PWs) bands (ev): 7.2817 7.2817 7.5152 7.5152 8.2169 8.2169 8.7526 8.7526 9.0969 9.0969 9.2285 9.2285 9.6524 9.6524 10.1013 10.1013 10.4654 10.4654 10.5367 10.5367 10.5507 10.5507 10.7565 10.7565 10.9634 10.9634 11.4753 11.4753 11.5229 11.5229 11.5537 11.5537 11.5937 11.5937 11.6270 11.6270 11.8515 11.8515 11.9401 11.9401 12.8680 12.8680 12.9929 12.9929 14.4129 14.4129 15.0479 15.0479 22.0184 22.0184 22.2703 22.2703 k = 0.3929 0.5000-0.0000 ( 1868 PWs) bands (ev): 7.2780 7.2780 7.5479 7.5479 8.2596 8.2596 8.7730 8.7730 9.1085 9.1085 9.2467 9.2467 9.6323 9.6323 10.0773 10.0773 10.4822 10.4822 10.5409 10.5409 10.5503 10.5503 10.7520 10.7520 10.9290 10.9290 11.4689 11.4689 11.5138 11.5138 11.5413 11.5413 11.5987 11.5987 11.6292 11.6292 11.8319 11.8319 11.9203 11.9203 12.9181 12.9181 13.0479 13.0479 14.2981 14.2981 14.9324 14.9324 22.0946 22.0946 22.3927 22.3927 k = 0.4048 0.5000-0.0000 ( 1866 PWs) bands (ev): 7.2742 7.2742 7.5769 7.5769 8.3031 8.3031 8.7924 8.7924 9.1189 9.1189 9.2652 9.2652 9.6109 9.6109 10.0547 10.0547 10.4983 10.4983 10.5447 10.5447 10.5500 10.5500 10.7484 10.7484 10.8956 10.8956 11.4626 11.4626 11.5052 11.5052 11.5292 11.5292 11.6051 11.6051 11.6319 11.6319 11.8134 11.8134 11.9010 11.9010 12.9696 12.9696 13.1030 13.1030 14.1887 14.1887 14.8230 14.8230 22.1689 22.1689 22.5119 22.5119 k = 0.4167 0.5000-0.0000 ( 1862 PWs) bands (ev): 7.2706 7.2706 7.6020 7.6020 8.3461 8.3461 8.8106 8.8106 9.1281 9.1281 9.2838 9.2838 9.5883 9.5883 10.0338 10.0338 10.5135 10.5135 10.5478 10.5478 10.5499 10.5499 10.7456 10.7456 10.8636 10.8636 11.4567 11.4567 11.4971 11.4971 11.5177 11.5177 11.6126 11.6126 11.6352 11.6352 11.7962 11.7962 11.8825 11.8825 13.0225 13.0225 13.1578 13.1578 14.0847 14.0847 14.7203 14.7203 22.2403 22.2403 22.6260 22.6260 k = 0.4286 0.5000-0.0000 ( 1866 PWs) bands (ev): 7.2673 7.2673 7.6233 7.6233 8.3875 8.3875 8.8276 8.8276 9.1360 9.1360 9.3021 9.3021 9.5643 9.5643 10.0151 10.0151 10.5275 10.5275 10.5490 10.5490 10.5518 10.5518 10.7434 10.7434 10.8334 10.8334 11.4511 11.4511 11.4894 11.4894 11.5070 11.5070 11.6206 11.6206 11.6388 11.6388 11.7804 11.7804 11.8649 11.8649 13.0767 13.0767 13.2116 13.2116 13.9860 13.9860 14.6251 14.6251 22.3076 22.3076 22.7333 22.7333 k = 0.4405 0.5000-0.0000 ( 1870 PWs) bands (ev): 7.2644 7.2644 7.6408 7.6408 8.4259 8.4259 8.8434 8.8434 9.1427 9.1427 9.3203 9.3203 9.5393 9.5393 9.9989 9.9989 10.5389 10.5389 10.5496 10.5496 10.5554 10.5554 10.7417 10.7417 10.8058 10.8058 11.4463 11.4463 11.4822 11.4822 11.4977 11.4977 11.6290 11.6290 11.6429 11.6429 11.7660 11.7660 11.8485 11.8485 13.1322 13.1322 13.2634 13.2634 13.8925 13.8925 14.5385 14.5385 22.3694 22.3694 22.8312 22.8312 k = 0.4524 0.5000-0.0000 ( 1874 PWs) bands (ev): 7.2619 7.2619 7.6549 7.6549 8.4597 8.4597 8.8578 8.8578 9.1481 9.1481 9.3384 9.3384 9.5136 9.5136 9.9855 9.9855 10.5443 10.5443 10.5515 10.5515 10.5625 10.5625 10.7399 10.7399 10.7816 10.7816 11.4423 11.4423 11.4757 11.4757 11.4899 11.4899 11.6373 11.6373 11.6472 11.6472 11.7532 11.7532 11.8338 11.8338 13.1885 13.1885 13.3122 13.3122 13.8042 13.8042 14.4622 14.4622 22.4240 22.4240 22.9171 22.9171 k = 0.4643 0.5000-0.0000 ( 1870 PWs) bands (ev): 7.2600 7.2600 7.6657 7.6657 8.4877 8.4877 8.8703 8.8703 9.1521 9.1521 9.3566 9.3566 9.4880 9.4880 9.9749 9.9749 10.5455 10.5455 10.5534 10.5534 10.5724 10.5724 10.7368 10.7368 10.7627 10.7627 11.4393 11.4393 11.4699 11.4699 11.4839 11.4839 11.6450 11.6450 11.6516 11.6516 11.7423 11.7423 11.8211 11.8211 13.2444 13.2444 13.3568 13.3568 13.7213 13.7213 14.3983 14.3983 22.4694 22.4694 22.9876 22.9876 k = 0.4762 0.5000-0.0000 ( 1862 PWs) bands (ev): 7.2586 7.2586 7.6733 7.6733 8.5086 8.5086 8.8801 8.8801 9.1548 9.1548 9.3753 9.3753 9.4628 9.4628 9.9674 9.9674 10.5457 10.5457 10.5547 10.5547 10.5817 10.5817 10.7301 10.7301 10.7521 10.7521 11.4373 11.4373 11.4654 11.4654 11.4798 11.4798 11.6516 11.6516 11.6556 11.6556 11.7338 11.7338 11.8112 11.8112 13.2966 13.2966 13.3973 13.3973 13.6445 13.6445 14.3494 14.3494 22.5037 22.5037 23.0401 23.0401 k = 0.4881 0.5000-0.0000 ( 1852 PWs) bands (ev): 7.2577 7.2577 7.6777 7.6777 8.5215 8.5215 8.8865 8.8865 9.1563 9.1563 9.3950 9.3950 9.4387 9.4387 9.9629 9.9629 10.5458 10.5458 10.5553 10.5553 10.5883 10.5883 10.7224 10.7224 10.7486 10.7486 11.4363 11.4363 11.4625 11.4625 11.4776 11.4776 11.6559 11.6559 11.6586 11.6586 11.7281 11.7281 11.8048 11.8048 13.3367 13.3367 13.4359 13.4359 13.5771 13.5771 14.3185 14.3185 22.5252 22.5252 23.0723 23.0723 k = 0.5000 0.5000-0.0000 ( 1852 PWs) bands (ev): 7.2574 7.2574 7.6792 7.6792 8.5259 8.5259 8.8887 8.8887 9.1568 9.1568 9.4160 9.4160 9.4161 9.4161 9.9614 9.9614 10.5458 10.5458 10.5555 10.5555 10.5908 10.5908 10.7192 10.7192 10.7479 10.7479 11.4359 11.4359 11.4615 11.4615 11.4768 11.4768 11.6573 11.6573 11.6597 11.6597 11.7261 11.7261 11.8026 11.8026 13.3519 13.3519 13.4623 13.4623 13.5395 13.5395 14.3078 14.3078 22.5325 22.5325 23.0831 23.0831 k = 0.5000 0.5000-0.0000 ( 1852 PWs) bands (ev): 7.2574 7.2574 7.6792 7.6792 8.5259 8.5259 8.8887 8.8887 9.1568 9.1568 9.4160 9.4160 9.4161 9.4161 9.9614 9.9614 10.5458 10.5458 10.5555 10.5555 10.5908 10.5908 10.7192 10.7192 10.7479 10.7479 11.4359 11.4359 11.4615 11.4615 11.4768 11.4768 11.6573 11.6573 11.6597 11.6597 11.7261 11.7261 11.8026 11.8026 13.3519 13.3519 13.4623 13.4623 13.5395 13.5395 14.3078 14.3078 22.5325 22.5325 23.0831 23.0831 k = 0.4917 0.4917-0.0000 ( 1852 PWs) bands (ev): 7.2577 7.2577 7.6778 7.6778 8.5216 8.5216 8.8866 8.8866 9.1563 9.1563 9.3952 9.3952 9.4384 9.4384 9.9628 9.9628 10.5458 10.5458 10.5554 10.5554 10.5884 10.5884 10.7224 10.7224 10.7486 10.7486 11.4363 11.4363 11.4625 11.4625 11.4776 11.4776 11.6546 11.6546 11.6599 11.6599 11.7280 11.7280 11.8048 11.8048 13.3356 13.3356 13.4393 13.4393 13.5748 13.5748 14.3184 14.3184 22.5252 22.5252 23.0726 23.0726 k = 0.4833 0.4833-0.0000 ( 1862 PWs) bands (ev): 7.2585 7.2585 7.6734 7.6734 8.5089 8.5089 8.8803 8.8803 9.1550 9.1550 9.3756 9.3756 9.4622 9.4622 9.9673 9.9673 10.5452 10.5452 10.5552 10.5552 10.5819 10.5819 10.7311 10.7311 10.7508 10.7508 11.4373 11.4373 11.4654 11.4654 11.4798 11.4798 11.6455 11.6455 11.6628 11.6628 11.7326 11.7326 11.8111 11.8111 13.2855 13.2855 13.4210 13.4210 13.6307 13.6307 14.3500 14.3500 22.5020 22.5020 23.0433 23.0433 k = 0.4750 0.4750-0.0000 ( 1876 PWs) bands (ev): 7.2596 7.2596 7.6660 7.6660 8.4883 8.4883 8.8705 8.8705 9.1529 9.1529 9.3567 9.3567 9.4872 9.4872 9.9746 9.9746 10.5430 10.5430 10.5558 10.5558 10.5731 10.5731 10.7423 10.7423 10.7564 10.7564 11.4389 11.4389 11.4701 11.4701 11.4835 11.4835 11.6325 11.6325 11.6678 11.6678 11.7383 11.7383 11.8210 11.8210 13.2168 13.2168 13.4165 13.4165 13.6831 13.6831 14.4029 14.4029 22.4595 22.4595 23.0011 23.0011 k = 0.4667 0.4667-0.0000 ( 1876 PWs) bands (ev): 7.2606 7.2606 7.6557 7.6557 8.4607 8.4607 8.8583 8.8583 9.1504 9.1504 9.3380 9.3380 9.5126 9.5126 9.9848 9.9848 10.5391 10.5391 10.5550 10.5550 10.5661 10.5661 10.7507 10.7507 10.7693 10.7693 11.4414 11.4414 11.4767 11.4767 11.4891 11.4891 11.6176 11.6176 11.6750 11.6750 11.7446 11.7446 11.8337 11.8337 13.1424 13.1424 13.4178 13.4178 13.7279 13.7279 14.4764 14.4764 22.3939 22.3939 22.9536 22.9536 k = 0.4583 0.4583-0.0000 ( 1872 PWs) bands (ev): 7.2612 7.2612 7.6423 7.6423 8.4271 8.4271 8.8442 8.8442 9.1475 9.1475 9.3190 9.3190 9.5378 9.5378 9.9978 9.9978 10.5337 10.5337 10.5468 10.5468 10.5677 10.5677 10.7565 10.7565 10.7881 10.7881 11.4447 11.4447 11.4848 11.4848 11.4964 11.4964 11.6017 11.6017 11.6841 11.6841 11.7512 11.7512 11.8483 11.8483 13.0672 13.0672 13.4218 13.4218 13.7645 13.7645 14.5686 14.5686 22.3032 22.3032 22.9057 22.9057 k = 0.4500 0.4500-0.0000 ( 1856 PWs) bands (ev): 7.2606 7.2606 7.6262 7.6262 8.3892 8.3892 8.8289 8.8289 9.1443 9.1443 9.2994 9.2994 9.5621 9.5621 10.0135 10.0135 10.5271 10.5271 10.5359 10.5359 10.5734 10.5734 10.7623 10.7623 10.8098 10.8098 11.4484 11.4484 11.4945 11.4945 11.5056 11.5056 11.5856 11.5856 11.6951 11.6951 11.7586 11.7586 11.8644 11.8644 12.9929 12.9929 13.4277 13.4277 13.7942 13.7942 14.6773 14.6773 22.1895 22.1895 22.8567 22.8567 k = 0.4417 0.4417-0.0000 ( 1864 PWs) bands (ev): 7.2575 7.2575 7.6077 7.6077 8.3485 8.3485 8.8127 8.8127 9.1408 9.1408 9.2788 9.2788 9.5848 9.5848 10.0318 10.0318 10.5194 10.5194 10.5247 10.5247 10.5806 10.5806 10.7683 10.7683 10.8332 10.8332 11.4521 11.4521 11.5046 11.5046 11.5163 11.5163 11.5698 11.5698 11.7075 11.7075 11.7664 11.7664 11.8812 11.8812 12.9204 12.9204 13.4352 13.4352 13.8186 13.8186 14.8000 14.8000 22.0572 22.0572 22.8018 22.8018 k = 0.4333 0.4333-0.0000 ( 1868 PWs) bands (ev): 7.2505 7.2505 7.5878 7.5878 8.3067 8.3067 8.7959 8.7959 9.1370 9.1370 9.2573 9.2573 9.6055 9.6055 10.0526 10.0526 10.5110 10.5110 10.5139 10.5139 10.5893 10.5893 10.7751 10.7751 10.8578 10.8578 11.4556 11.4556 11.5150 11.5150 11.5286 11.5286 11.5563 11.5563 11.7214 11.7214 11.7748 11.7748 11.8985 11.8985 12.8502 12.8502 13.4441 13.4441 13.8392 13.8392 14.9347 14.9347 21.9113 21.9113 22.7371 22.7371 k = 0.4250 0.4250-0.0000 ( 1872 PWs) bands (ev): 7.2375 7.2375 7.5679 7.5679 8.2652 8.2652 8.7784 8.7784 9.1329 9.1329 9.2350 9.2350 9.6240 9.6240 10.0759 10.0759 10.5019 10.5019 10.5040 10.5040 10.5992 10.5992 10.7824 10.7824 10.8835 10.8835 11.4575 11.4575 11.5227 11.5227 11.5418 11.5418 11.5494 11.5494 11.7366 11.7366 11.7842 11.7842 11.9162 11.9162 12.7824 12.7824 13.4543 13.4543 13.8573 13.8573 15.0796 15.0796 21.7557 21.7557 22.6627 22.6627 k = 0.4167 0.4167-0.0000 ( 1876 PWs) bands (ev): 7.2161 7.2161 7.5500 7.5500 8.2253 8.2253 8.7604 8.7604 9.1283 9.1283 9.2121 9.2121 9.6399 9.6399 10.1014 10.1014 10.4923 10.4923 10.4950 10.4950 10.6104 10.6104 10.7901 10.7901 10.9099 10.9099 11.4565 11.4565 11.5226 11.5226 11.5525 11.5525 11.5591 11.5591 11.7529 11.7529 11.7944 11.7944 11.9341 11.9341 12.7173 12.7173 13.4659 13.4659 13.8738 13.8738 15.2335 15.2335 21.5934 21.5934 22.5818 22.5818 k = 0.4083 0.4083-0.0000 ( 1864 PWs) bands (ev): 7.1843 7.1843 7.5359 7.5359 8.1878 8.1878 8.7420 8.7420 9.1230 9.1230 9.1889 9.1889 9.6534 9.6534 10.1291 10.1291 10.4831 10.4831 10.4868 10.4868 10.6229 10.6229 10.7982 10.7982 10.9370 10.9370 11.4508 11.4508 11.5215 11.5215 11.5661 11.5661 11.5752 11.5752 11.7703 11.7703 11.8057 11.8057 11.9522 11.9522 12.6549 12.6549 13.4789 13.4789 13.8893 13.8893 15.3954 15.3954 21.4267 21.4267 22.4979 22.4979 k = 0.4000 0.4000-0.0000 ( 1862 PWs) bands (ev): 7.1412 7.1412 7.5266 7.5266 8.1532 8.1532 8.7232 8.7232 9.1161 9.1161 9.1661 9.1661 9.6644 9.6644 10.1590 10.1590 10.4741 10.4741 10.4797 10.4797 10.6367 10.6367 10.8065 10.8065 10.9643 10.9643 11.4401 11.4401 11.5243 11.5243 11.5822 11.5822 11.5925 11.5925 11.7884 11.7884 11.8179 11.8179 11.9702 11.9702 12.5950 12.5950 13.4932 13.4932 13.9043 13.9043 15.5645 15.5645 21.2569 21.2569 22.4134 22.4134 k = 0.3917 0.3917-0.0000 ( 1861 PWs) bands (ev): 7.0871 7.0871 7.5220 7.5220 8.1215 8.1215 8.7041 8.7041 9.1063 9.1063 9.1455 9.1455 9.6728 9.6728 10.1906 10.1906 10.4655 10.4655 10.4738 10.4738 10.6517 10.6517 10.8150 10.8150 10.9918 10.9918 11.4263 11.4263 11.5309 11.5309 11.6000 11.6000 11.6109 11.6109 11.8069 11.8069 11.8311 11.8311 11.9882 11.9882 12.5377 12.5377 13.5089 13.5089 13.9191 13.9191 15.7403 15.7403 21.0852 21.0852 22.3299 22.3299 k = 0.3833 0.3833-0.0000 ( 1865 PWs) bands (ev): 7.0233 7.0233 7.5212 7.5212 8.0927 8.0927 8.6850 8.6850 9.0909 9.0909 9.1295 9.1295 9.6790 9.6790 10.2239 10.2239 10.4577 10.4577 10.4695 10.4695 10.6680 10.6680 10.8234 10.8234 11.0192 11.0192 11.4107 11.4107 11.5400 11.5400 11.6188 11.6188 11.6296 11.6296 11.8257 11.8257 11.8457 11.8457 12.0062 12.0062 12.4829 12.4829 13.5258 13.5258 13.9340 13.9340 15.9223 15.9223 20.9123 20.9123 22.2483 22.2483 k = 0.3750 0.3750-0.0000 ( 1863 PWs) bands (ev): 6.9513 6.9513 7.5231 7.5231 8.0664 8.0664 8.6661 8.6661 9.0700 9.0700 9.1183 9.1183 9.6830 9.6830 10.2582 10.2582 10.4508 10.4508 10.4674 10.4674 10.6855 10.6855 10.8318 10.8318 11.0465 11.0465 11.3942 11.3942 11.5509 11.5509 11.6387 11.6387 11.6492 11.6492 11.8443 11.8443 11.8617 11.8617 12.0240 12.0240 12.4306 12.4306 13.5442 13.5442 13.9491 13.9491 16.1100 16.1100 20.7389 20.7389 22.1692 22.1692 k = 0.3667 0.3667-0.0000 ( 1859 PWs) bands (ev): 6.8730 6.8730 7.5266 7.5266 8.0421 8.0421 8.6475 8.6475 9.0458 9.0458 9.1096 9.1096 9.6852 9.6852 10.2929 10.2929 10.4451 10.4451 10.4682 10.4682 10.7045 10.7045 10.8401 10.8401 11.0736 11.0736 11.3774 11.3774 11.5632 11.5632 11.6595 11.6595 11.6694 11.6694 11.8625 11.8625 11.8795 11.8795 12.0417 12.0417 12.3806 12.3806 13.5640 13.5640 13.9646 13.9646 16.3031 16.3031 20.5655 20.5655 22.0930 22.0930 k = 0.3583 0.3583-0.0000 ( 1859 PWs) bands (ev): 6.7895 6.7895 7.5309 7.5309 8.0195 8.0195 8.6294 8.6294 9.0202 9.0202 9.1016 9.1016 9.6856 9.6856 10.3261 10.3261 10.4410 10.4410 10.4734 10.4734 10.7247 10.7247 10.8481 10.8481 11.1001 11.1001 11.3606 11.3606 11.5766 11.5766 11.6810 11.6810 11.6900 11.6900 11.8803 11.8803 11.8987 11.8987 12.0593 12.0593 12.3330 12.3330 13.5852 13.5852 13.9805 13.9805 16.5013 16.5013 20.3922 20.3922 22.0199 22.0199 k = 0.3500 0.3500-0.0000 ( 1867 PWs) bands (ev): 6.7021 6.7021 7.5352 7.5352 7.9980 7.9980 8.6121 8.6121 8.9940 8.9940 9.0935 9.0935 9.6844 9.6844 10.3553 10.3553 10.4389 10.4389 10.4853 10.4853 10.7464 10.7464 10.8557 10.8557 11.1261 11.1261 11.3438 11.3438 11.5909 11.5909 11.7026 11.7026 11.7110 11.7110 11.8979 11.8979 11.9189 11.9189 12.0766 12.0766 12.2876 12.2876 13.6077 13.6077 13.9969 13.9969 16.7043 16.7043 20.2195 20.2195 21.9500 21.9500 k = 0.3417 0.3417-0.0000 ( 1869 PWs) bands (ev): 6.6119 6.6119 7.5390 7.5390 7.9771 7.9771 8.5957 8.5957 8.9674 8.9674 9.0850 9.0850 9.6820 9.6820 10.3775 10.3775 10.4394 10.4394 10.5068 10.5068 10.7694 10.7694 10.8630 10.8630 11.1515 11.1515 11.3275 11.3275 11.6062 11.6062 11.7244 11.7244 11.7328 11.7328 11.9159 11.9159 11.9398 11.9398 12.0937 12.0937 12.2444 12.2444 13.6317 13.6317 14.0139 14.0139 16.9118 16.9118 20.0476 20.0476 21.8834 21.8834 k = 0.3333 0.3333-0.0000 ( 1865 PWs) bands (ev): 6.5195 6.5195 7.5419 7.5419 7.9566 7.9566 8.5804 8.5804 8.9406 8.9406 9.0759 9.0759 9.6785 9.6785 10.3919 10.3919 10.4429 10.4429 10.5385 10.5385 10.7941 10.7941 10.8700 10.8700 11.1760 11.1760 11.3117 11.3117 11.6223 11.6223 11.7458 11.7458 11.7554 11.7554 11.9343 11.9343 11.9611 11.9611 12.1106 12.1106 12.2038 12.2038 13.6571 13.6571 14.0315 14.0315 17.1234 17.1234 19.8766 19.8766 21.8200 21.8200 k = 0.3250 0.3250-0.0000 ( 1871 PWs) bands (ev): 6.4258 6.4258 7.5436 7.5436 7.9359 7.9359 8.5663 8.5663 8.9139 8.9139 9.0661 9.0661 9.6739 9.6739 10.4005 10.4005 10.4496 10.4496 10.5782 10.5782 10.8200 10.8200 10.8765 10.8765 11.1994 11.1994 11.2969 11.2969 11.6389 11.6389 11.7668 11.7668 11.7785 11.7785 11.9531 11.9531 11.9823 11.9823 12.1261 12.1261 12.1666 12.1666 13.6839 13.6839 14.0497 14.0497 17.3390 17.3390 19.7069 19.7069 21.7598 21.7598 k = 0.3167 0.3167-0.0000 ( 1865 PWs) bands (ev): 6.3312 6.3312 7.5440 7.5440 7.9150 7.9150 8.5533 8.5533 8.8872 8.8872 9.0556 9.0556 9.6685 9.6685 10.4065 10.4065 10.4594 10.4594 10.6234 10.6234 10.8475 10.8475 10.8826 10.8826 11.2207 11.2207 11.2841 11.2841 11.6565 11.6565 11.7872 11.7872 11.8020 11.8020 11.9724 11.9724 12.0035 12.0035 12.1241 12.1241 12.1496 12.1496 13.7122 13.7122 14.0685 14.0685 17.5582 17.5582 19.5385 19.5385 21.7029 21.7029 k = 0.3083 0.3083-0.0000 ( 1865 PWs) bands (ev): 6.2363 6.2363 7.5428 7.5428 7.8934 7.8934 8.5416 8.5416 8.8606 8.8606 9.0443 9.0443 9.6622 9.6622 10.4116 10.4116 10.4722 10.4722 10.6719 10.6719 10.8762 10.8762 10.8889 10.8889 11.2358 11.2358 11.2773 11.2773 11.6747 11.6747 11.8071 11.8071 11.8258 11.8258 11.9917 11.9917 12.0236 12.0236 12.0946 12.0946 12.1633 12.1633 13.7418 13.7418 14.0881 14.0881 17.7806 17.7806 19.3719 19.3719 21.6490 21.6490 k = 0.3000 0.3000-0.0000 ( 1867 PWs) bands (ev): 6.1415 6.1415 7.5402 7.5402 7.8711 7.8711 8.5309 8.5309 8.8341 8.8341 9.0321 9.0321 9.6553 9.6553 10.4169 10.4169 10.4881 10.4881 10.7226 10.7226 10.8927 10.8927 10.9090 10.9090 11.2366 11.2366 11.2848 11.2848 11.6934 11.6934 11.8264 11.8264 11.8495 11.8495 12.0095 12.0095 12.0388 12.0388 12.0718 12.0718 12.1793 12.1793 13.7728 13.7728 14.1083 14.1083 18.0055 18.0055 19.2074 19.2074 21.5983 21.5983 k = 0.2917 0.2917-0.0000 ( 1863 PWs) bands (ev): 6.0470 6.0470 7.5360 7.5360 7.8480 7.8480 8.5211 8.5211 8.8079 8.8079 9.0191 9.0191 9.6476 9.6476 10.4228 10.4228 10.5072 10.5072 10.7745 10.7745 10.8987 10.8987 10.9414 10.9414 11.2278 11.2278 11.3020 11.3020 11.7127 11.7127 11.8447 11.8447 11.8731 11.8731 12.0130 12.0130 12.0434 12.0434 12.0768 12.0768 12.1955 12.1955 13.8051 13.8051 14.1292 14.1292 18.2314 18.2314 19.0466 19.0466 21.5506 21.5506 k = 0.2833 0.2833-0.0000 ( 1867 PWs) bands (ev): 5.9533 5.9533 7.5304 7.5304 7.8240 7.8240 8.5121 8.5121 8.7819 8.7819 9.0053 9.0053 9.6392 9.6392 10.4295 10.4295 10.5296 10.5296 10.8258 10.8258 10.9059 10.9059 10.9761 10.9761 11.2168 11.2168 11.3217 11.3217 11.7324 11.7324 11.8615 11.8615 11.8963 11.8963 11.9939 11.9939 12.0601 12.0601 12.0954 12.0954 12.2116 12.2116 13.8388 13.8388 14.1508 14.1508 18.4524 18.4524 18.8950 18.8950 21.5059 21.5059 k = 0.2750 0.2750-0.0000 ( 1865 PWs) bands (ev): 5.8606 5.8606 7.5235 7.5235 7.7992 7.7992 8.5036 8.5036 8.7561 8.7561 8.9907 8.9907 9.6300 9.6300 10.4371 10.4371 10.5551 10.5551 10.8708 10.8708 10.9199 10.9199 11.0132 11.0132 11.2060 11.2060 11.3416 11.3416 11.7525 11.7525 11.8755 11.8755 11.9192 11.9192 11.9735 11.9735 12.0807 12.0807 12.1159 12.1159 12.2277 12.2277 13.8738 13.8738 14.1731 14.1731 18.6081 18.6081 18.8130 18.8130 21.4640 21.4640 k = 0.2667 0.2667-0.0000 ( 1865 PWs) bands (ev): 5.7690 5.7690 7.5152 7.5152 7.7736 7.7736 8.4955 8.4955 8.7307 8.7307 8.9754 8.9754 9.6202 9.6202 10.4457 10.4457 10.5835 10.5835 10.8947 10.8947 10.9550 10.9550 11.0527 11.0527 11.1962 11.1962 11.3614 11.3614 11.7728 11.7728 11.8836 11.8836 11.9414 11.9414 11.9597 11.9597 12.1021 12.1021 12.1366 12.1366 12.2438 12.2438 13.9100 13.9100 14.1962 14.1962 18.5232 18.5232 18.9756 18.9756 21.4251 21.4251 k = 0.2583 0.2583-0.0000 ( 1869 PWs) bands (ev): 5.6790 5.6790 7.5059 7.5059 7.7474 7.7474 8.4875 8.4875 8.7055 8.7055 8.9595 8.9595 9.6097 9.6097 10.4550 10.4550 10.6141 10.6141 10.9049 10.9049 11.0034 11.0034 11.0951 11.0951 11.1882 11.1882 11.3807 11.3807 11.7930 11.7930 11.8818 11.8818 11.9560 11.9560 11.9641 11.9641 12.1237 12.1237 12.1573 12.1573 12.2598 12.2598 13.9474 13.9474 14.2200 14.2200 18.3763 18.3763 19.2038 19.2038 21.3890 21.3890 k = 0.2500 0.2500-0.0000 ( 1877 PWs) bands (ev): 5.5905 5.5905 7.4955 7.4955 7.7207 7.7207 8.4796 8.4796 8.6807 8.6807 8.9431 8.9431 9.5986 9.5986 10.4651 10.4651 10.6456 10.6456 10.9130 10.9130 11.0522 11.0522 11.1407 11.1407 11.1842 11.1842 11.3997 11.3997 11.8123 11.8123 11.8717 11.8717 11.9640 11.9640 11.9848 11.9848 12.1453 12.1453 12.1779 12.1779 12.2759 12.2759 13.9859 13.9859 14.2446 14.2446 18.2239 18.2239 19.4407 19.4407 21.3560 21.3560 k = 0.2417 0.2417-0.0000 ( 1873 PWs) bands (ev): 5.5038 5.5038 7.4842 7.4842 7.6936 7.6936 8.4715 8.4715 8.6563 8.6563 8.9262 8.9262 9.5869 9.5869 10.4759 10.4759 10.6769 10.6769 10.9225 10.9225 11.0950 11.0950 11.1835 11.1835 11.1943 11.1943 11.4182 11.4182 11.8278 11.8278 11.8623 11.8623 11.9766 11.9766 12.0053 12.0053 12.1667 12.1667 12.1983 12.1983 12.2923 12.2923 14.0255 14.0255 14.2701 14.2701 18.0713 18.0713 19.6804 19.6804 21.3263 21.3263 k = 0.2333 0.2333-0.0000 ( 1873 PWs) bands (ev): 5.4191 5.4191 7.4722 7.4722 7.6663 7.6663 8.4632 8.4632 8.6323 8.6323 8.9090 8.9090 9.5746 9.5746 10.4872 10.4872 10.7059 10.7059 10.9348 10.9348 11.1236 11.1236 11.2054 11.2054 11.2447 11.2447 11.4363 11.4363 11.8276 11.8276 11.8678 11.8678 11.9912 11.9912 12.0251 12.0251 12.1876 12.1876 12.2185 12.2185 12.3086 12.3086 14.0658 14.0658 14.2965 14.2965 17.9198 17.9198 19.9204 19.9204 21.3005 21.3005 k = 0.2250 0.2250-0.0000 ( 1881 PWs) bands (ev): 5.3364 5.3364 7.4594 7.4594 7.6388 7.6388 8.4545 8.4545 8.6087 8.6087 8.8915 8.8915 9.5619 9.5619 10.4990 10.4990 10.7301 10.7301 10.9504 10.9504 11.1385 11.1385 11.2422 11.2422 11.3004 11.3004 11.4539 11.4539 11.8160 11.8160 11.8854 11.8854 12.0062 12.0062 12.0441 12.0441 12.2079 12.2079 12.2385 12.2385 12.3252 12.3252 14.1069 14.1069 14.3239 14.3239 17.7701 17.7701 20.1585 20.1585 21.2800 21.2800 k = 0.2167 0.2167-0.0000 ( 1873 PWs) bands (ev): 5.2560 5.2560 7.4462 7.4462 7.6114 7.6114 8.4456 8.4456 8.5856 8.5856 8.8739 8.8739 9.5488 9.5488 10.5111 10.5111 10.7485 10.7485 10.9684 10.9684 11.1519 11.1519 11.2875 11.2875 11.3583 11.3583 11.4711 11.4711 11.8030 11.8030 11.9056 11.9056 12.0215 12.0215 12.0626 12.0626 12.2277 12.2277 12.2583 12.2583 12.3421 12.3421 14.1485 14.1485 14.3524 14.3524 17.6222 17.6222 20.3906 20.3906 21.2680 21.2680 k = 0.2083 0.2083-0.0000 ( 1869 PWs) bands (ev): 5.1778 5.1778 7.4326 7.4326 7.5841 7.5841 8.4363 8.4363 8.5631 8.5631 8.8562 8.8562 9.5355 9.5355 10.5234 10.5234 10.7605 10.7605 10.9848 10.9848 11.1722 11.1722 11.3364 11.3364 11.4174 11.4174 11.4880 11.4880 11.7904 11.7904 11.9263 11.9263 12.0368 12.0368 12.0804 12.0804 12.2466 12.2466 12.2780 12.2780 12.3593 12.3593 14.1904 14.1904 14.3822 14.3822 17.4765 17.4765 20.6081 20.6081 21.2723 21.2723 k = 0.2000 0.2000-0.0000 ( 1867 PWs) bands (ev): 5.1021 5.1021 7.4186 7.4186 7.5572 7.5572 8.4268 8.4268 8.5411 8.5411 8.8387 8.8387 9.5220 9.5220 10.5359 10.5359 10.7672 10.7672 10.9961 10.9961 11.2036 11.2036 11.3874 11.3874 11.4769 11.4769 11.5047 11.5047 11.7788 11.7788 11.9471 11.9471 12.0518 12.0518 12.0976 12.0976 12.2646 12.2646 12.2973 12.2973 12.3769 12.3769 14.2322 14.2322 14.4136 14.4136 17.3330 17.3330 20.7907 20.7907 21.3121 21.3121 k = 0.1917 0.1917-0.0000 ( 1863 PWs) bands (ev): 5.0288 5.0288 7.4043 7.4043 7.5306 7.5306 8.4169 8.4169 8.5196 8.5196 8.8213 8.8213 9.5083 9.5083 10.5482 10.5482 10.7700 10.7700 11.0014 11.0014 11.2461 11.2461 11.4400 11.4400 11.5210 11.5210 11.5368 11.5368 11.7684 11.7684 11.9678 11.9678 12.0665 12.0665 12.1141 12.1141 12.2817 12.2817 12.3164 12.3164 12.3948 12.3948 14.2735 14.2735 14.4467 14.4467 17.1920 17.1920 20.9071 20.9071 21.4174 21.4174 k = 0.1833 0.1833-0.0000 ( 1863 PWs) bands (ev): 4.9581 4.9581 7.3900 7.3900 7.5045 7.5045 8.4068 8.4068 8.4988 8.4988 8.8041 8.8041 9.4947 9.4947 10.5604 10.5604 10.7699 10.7699 11.0019 11.0019 11.2970 11.2970 11.4933 11.4933 11.5384 11.5384 11.5958 11.5958 11.7594 11.7594 11.9880 11.9880 12.0809 12.0809 12.1301 12.1301 12.2979 12.2979 12.3351 12.3351 12.4130 12.4130 14.3139 14.3139 14.4819 14.4819 17.0535 17.0535 20.9539 20.9539 21.5897 21.5897 k = 0.1750 0.1750-0.0000 ( 1863 PWs) bands (ev): 4.8902 4.8902 7.3756 7.3756 7.4790 7.4790 8.3966 8.3966 8.4786 8.4786 8.7873 8.7873 9.4811 9.4811 10.5722 10.5722 10.7677 10.7677 10.9993 10.9993 11.3531 11.3531 11.5406 11.5406 11.5631 11.5631 11.6543 11.6543 11.7519 11.7519 12.0078 12.0078 12.0949 12.0949 12.1455 12.1455 12.3133 12.3133 12.3535 12.3535 12.4315 12.4315 14.3531 14.3531 14.5195 14.5195 16.9178 16.9178 20.9612 20.9612 21.7957 21.7957 k = 0.1667 0.1667-0.0000 ( 1863 PWs) bands (ev): 4.8249 4.8249 7.3612 7.3612 7.4542 7.4542 8.3862 8.3862 8.4590 8.4590 8.7709 8.7709 9.4677 9.4677 10.5838 10.5838 10.7642 10.7642 10.9948 10.9948 11.4114 11.4114 11.5653 11.5653 11.6121 11.6121 11.7108 11.7108 11.7468 11.7468 12.0270 12.0270 12.1086 12.1086 12.1606 12.1606 12.3280 12.3280 12.3715 12.3715 12.4502 12.4502 14.3906 14.3906 14.5595 14.5595 16.7850 16.7850 20.9499 20.9499 22.0078 22.0078 k = 0.1583 0.1583-0.0000 ( 1863 PWs) bands (ev): 4.7625 4.7625 7.3470 7.3470 7.4302 7.4302 8.3758 8.3758 8.4402 8.4402 8.7550 8.7550 9.4545 9.4545 10.5951 10.5951 10.7597 10.7597 10.9892 10.9892 11.4685 11.4685 11.5852 11.5852 11.6679 11.6679 11.7406 11.7406 11.7698 11.7698 12.0456 12.0456 12.1219 12.1219 12.1752 12.1752 12.3421 12.3421 12.3892 12.3892 12.4691 12.4691 14.4263 14.4263 14.6019 14.6019 16.6554 16.6554 20.9286 20.9286 22.2002 22.2002 k = 0.1500 0.1500-0.0000 ( 1859 PWs) bands (ev): 4.7029 4.7029 7.3330 7.3330 7.4070 7.4070 8.3655 8.3655 8.4221 8.4221 8.7396 8.7396 9.4417 9.4417 10.6058 10.6058 10.7546 10.7546 10.9832 10.9832 11.5196 11.5196 11.6093 11.6093 11.7164 11.7164 11.7498 11.7498 11.8231 11.8231 12.0633 12.0633 12.1348 12.1348 12.1897 12.1897 12.3557 12.3557 12.4066 12.4066 12.4880 12.4880 14.4601 14.4601 14.6467 14.6467 16.5291 16.5291 20.9003 20.9003 22.3216 22.3216 k = 0.1417 0.1417-0.0000 ( 1857 PWs) bands (ev): 4.6462 4.6462 7.3193 7.3193 7.3847 7.3847 8.3553 8.3553 8.4048 8.4048 8.7249 8.7249 9.4292 9.4292 10.6160 10.6160 10.7491 10.7491 10.9770 10.9770 11.5578 11.5578 11.6412 11.6412 11.7325 11.7325 11.7959 11.7959 11.8752 11.8752 12.0803 12.0803 12.1474 12.1474 12.2040 12.2040 12.3689 12.3689 12.4237 12.4237 12.5070 12.5070 14.4920 14.4920 14.6934 14.6934 16.4065 16.4065 20.8658 20.8658 22.3167 22.3167 k = 0.1333 0.1333-0.0000 ( 1861 PWs) bands (ev): 4.5926 4.5926 7.3059 7.3059 7.3634 7.3634 8.3452 8.3452 8.3883 8.3883 8.7108 8.7108 9.4172 9.4172 10.6253 10.6253 10.7433 10.7433 10.9708 10.9708 11.5826 11.5826 11.6734 11.6734 11.7488 11.7488 11.8537 11.8537 11.9252 11.9252 12.0963 12.0963 12.1597 12.1597 12.2182 12.2182 12.3820 12.3820 12.4407 12.4407 12.5258 12.5258 14.5220 14.5220 14.7416 14.7416 16.2878 16.2878 20.8252 20.8252 22.2326 22.2326 k = 0.1250 0.1250-0.0000 ( 1859 PWs) bands (ev): 4.5419 4.5419 7.2930 7.2930 7.3431 7.3431 8.3354 8.3354 8.3727 8.3727 8.6974 8.6974 9.4057 9.4057 10.6340 10.6340 10.7375 10.7375 10.9650 10.9650 11.5999 11.5999 11.6901 11.6901 11.7851 11.7851 11.9120 11.9120 11.9728 11.9728 12.1113 12.1113 12.1718 12.1718 12.2325 12.2325 12.3950 12.3950 12.4575 12.4575 12.5447 12.5447 14.5501 14.5501 14.7909 14.7909 16.1734 16.1734 20.7782 20.7782 22.1274 22.1274 k = 0.1167 0.1167-0.0000 ( 1863 PWs) bands (ev): 4.4944 4.4944 7.2806 7.2806 7.3238 7.3238 8.3259 8.3259 8.3578 8.3578 8.6846 8.6846 9.3946 9.3946 10.6420 10.6420 10.7317 10.7317 10.9595 10.9595 11.6134 11.6134 11.6950 11.6950 11.8342 11.8342 11.9687 11.9687 12.0176 12.0176 12.1255 12.1255 12.1836 12.1836 12.2470 12.2470 12.4082 12.4082 12.4742 12.4742 12.5636 12.5636 14.5763 14.5763 14.8408 14.8408 16.0638 16.0638 20.7244 20.7244 22.0226 22.0226 k = 0.1083 0.1083-0.0000 ( 1867 PWs) bands (ev): 4.4499 4.4499 7.2688 7.2688 7.3057 7.3057 8.3168 8.3168 8.3439 8.3439 8.6727 8.6727 9.3842 9.3842 10.6492 10.6492 10.7259 10.7259 10.9544 10.9544 11.6250 11.6250 11.6959 11.6959 11.8860 11.8860 12.0223 12.0223 12.0595 12.0595 12.1389 12.1389 12.1956 12.1956 12.2617 12.2617 12.4220 12.4220 12.4910 12.4910 12.5826 12.5826 14.6003 14.6003 14.8909 14.8909 15.9594 15.9594 20.6638 20.6638 21.9257 21.9257 k = 0.1000 0.1000-0.0000 ( 1859 PWs) bands (ev): 4.4086 4.4086 7.2576 7.2576 7.2888 7.2888 8.3082 8.3082 8.3309 8.3309 8.6616 8.6616 9.3745 9.3745 10.6557 10.6557 10.7205 10.7205 10.9500 10.9500 11.6353 11.6353 11.6959 11.6959 11.9368 11.9368 12.0705 12.0705 12.0987 12.0987 12.1521 12.1521 12.2079 12.2079 12.2766 12.2766 12.4364 12.4364 12.5077 12.5077 12.6019 12.6019 14.6221 14.6221 14.9406 14.9406 15.8608 15.8608 20.5968 20.5968 21.8398 21.8398 k = 0.0917 0.0917-0.0000 ( 1859 PWs) bands (ev): 4.3705 4.3705 7.2471 7.2471 7.2731 7.2731 8.3000 8.3000 8.3189 8.3189 8.6513 8.6513 9.3654 9.3654 10.6614 10.6614 10.7152 10.7152 10.9461 10.9461 11.6445 11.6445 11.6953 11.6953 11.9846 11.9846 12.1102 12.1102 12.1349 12.1349 12.1672 12.1672 12.2211 12.2211 12.2917 12.2917 12.4520 12.4520 12.5242 12.5242 12.6217 12.6217 14.6411 14.6411 14.9895 14.9895 15.7688 15.7688 20.5246 20.5246 21.7657 21.7657 k = 0.0833 0.0833-0.0000 ( 1859 PWs) bands (ev): 4.3356 4.3356 7.2373 7.2373 7.2587 7.2587 8.2924 8.2924 8.3078 8.3078 8.6418 8.6418 9.3570 9.3570 10.6663 10.6663 10.7102 10.7102 10.9427 10.9427 11.6526 11.6526 11.6946 11.6946 12.0284 12.0284 12.1398 12.1398 12.1612 12.1612 12.1916 12.1916 12.2357 12.2357 12.3065 12.3065 12.4688 12.4688 12.5403 12.5403 12.6420 12.6420 14.6571 14.6571 15.0370 15.0370 15.6840 15.6840 20.4488 20.4488 21.7032 21.7032 k = 0.0750 0.0750-0.0000 ( 1859 PWs) bands (ev): 4.3040 4.3040 7.2283 7.2283 7.2455 7.2455 8.2854 8.2854 8.2977 8.2977 8.6332 8.6332 9.3493 9.3493 10.6705 10.6705 10.7056 10.7056 10.9399 10.9399 11.6600 11.6600 11.6939 11.6939 12.0672 12.0672 12.1600 12.1600 12.1767 12.1767 12.2246 12.2246 12.2520 12.2520 12.3208 12.3208 12.4872 12.4872 12.5558 12.5558 12.6629 12.6629 14.6695 14.6695 15.0826 15.0826 15.6071 15.6071 20.3715 20.3715 21.6514 21.6514 k = 0.0667 0.0667-0.0000 ( 1857 PWs) bands (ev): 4.2756 4.2756 7.2201 7.2201 7.2336 7.2336 8.2789 8.2789 8.2886 8.2886 8.6255 8.6255 9.3424 9.3424 10.6740 10.6740 10.7015 10.7015 10.9376 10.9376 11.6667 11.6667 11.6933 11.6933 12.1005 12.1005 12.1731 12.1731 12.1891 12.1891 12.2568 12.2568 12.2696 12.2696 12.3342 12.3342 12.5069 12.5069 12.5702 12.5702 12.6844 12.6844 14.6780 14.6780 15.1257 15.1257 15.5390 15.5390 20.2949 20.2949 21.6090 21.6090 k = 0.0583 0.0583-0.0000 ( 1865 PWs) bands (ev): 4.2505 4.2505 7.2128 7.2128 7.2231 7.2231 8.2732 8.2732 8.2805 8.2805 8.6186 8.6186 9.3361 9.3361 10.6768 10.6768 10.6976 10.6976 10.9358 10.9358 11.6724 11.6724 11.6927 11.6927 12.1284 12.1284 12.1819 12.1819 12.1994 12.1994 12.2833 12.2833 12.2895 12.2895 12.3462 12.3462 12.5277 12.5277 12.5833 12.5833 12.7059 12.7059 14.6825 14.6825 15.1658 15.1658 15.4802 15.4802 20.2213 20.2213 21.5747 21.5747 k = 0.0500 0.0500-0.0000 ( 1857 PWs) bands (ev): 4.2287 4.2287 7.2064 7.2064 7.2139 7.2139 8.2682 8.2682 8.2735 8.2735 8.6126 8.6126 9.3308 9.3308 10.6794 10.6794 10.6944 10.6944 10.9345 10.9345 11.6776 11.6776 11.6924 11.6924 12.1510 12.1510 12.1886 12.1886 12.2076 12.2076 12.3009 12.3009 12.3137 12.3137 12.3566 12.3566 12.5488 12.5488 12.5948 12.5948 12.7271 12.7271 14.6830 14.6830 15.2022 15.2022 15.4310 15.4310 20.1529 20.1529 21.5473 21.5473 k = 0.0417 0.0417-0.0000 ( 1857 PWs) bands (ev): 4.2102 4.2102 7.2009 7.2009 7.2061 7.2061 8.2639 8.2639 8.2675 8.2675 8.6076 8.6076 9.3262 9.3262 10.6812 10.6812 10.6915 10.6915 10.9334 10.9334 11.6818 11.6818 11.6920 11.6920 12.1689 12.1689 12.1939 12.1939 12.2139 12.2139 12.3150 12.3150 12.3353 12.3353 12.3653 12.3653 12.5694 12.5694 12.6046 12.6046 12.7469 12.7469 14.6802 14.6802 15.2343 15.2343 15.3914 15.3914 20.0917 20.0917 21.5258 21.5258 k = 0.0333 0.0333-0.0000 ( 1851 PWs) bands (ev): 4.1951 4.1951 7.1964 7.1964 7.1997 7.1997 8.2603 8.2603 8.2627 8.2627 8.6034 8.6034 9.3225 9.3225 10.6827 10.6827 10.6892 10.6892 10.9327 10.9327 11.6854 11.6854 11.6919 11.6919 12.1826 12.1826 12.1980 12.1980 12.2187 12.2187 12.3265 12.3265 12.3531 12.3531 12.3724 12.3724 12.5883 12.5883 12.6127 12.6127 12.7646 12.7646 14.6751 14.6751 15.2615 15.2615 15.3609 15.3609 20.0391 20.0391 21.5093 21.5093 k = 0.0250 0.0250-0.0000 ( 1857 PWs) bands (ev): 4.1833 4.1833 7.1928 7.1928 7.1947 7.1947 8.2575 8.2575 8.2588 8.2588 8.6002 8.6002 9.3195 9.3195 10.6837 10.6837 10.6873 10.6873 10.9322 10.9322 11.6880 11.6880 11.6917 11.6917 12.1926 12.1926 12.2010 12.2010 12.2222 12.2222 12.3354 12.3354 12.3670 12.3670 12.3778 12.3778 12.6043 12.6043 12.6189 12.6189 12.7792 12.7792 14.6689 14.6689 15.2833 15.2833 15.3386 15.3386 19.9968 19.9968 21.4971 21.4971 k = 0.0167 0.0167-0.0000 ( 1857 PWs) bands (ev): 4.1749 4.1749 7.1903 7.1903 7.1911 7.1911 8.2555 8.2555 8.2561 8.2561 8.5979 8.5979 9.3174 9.3174 10.6844 10.6844 10.6860 10.6860 10.9318 10.9318 11.6899 11.6899 11.6916 11.6916 12.1996 12.1996 12.2032 12.2032 12.2246 12.2246 12.3416 12.3416 12.3769 12.3769 12.3817 12.3817 12.6166 12.6166 12.6234 12.6234 12.7902 12.7902 14.6632 14.6632 15.2993 15.2993 15.3236 15.3236 19.9658 19.9658 21.4887 21.4887 k = 0.0083 0.0083-0.0000 ( 1863 PWs) bands (ev): 4.1698 4.1698 7.1888 7.1888 7.1890 7.1890 8.2543 8.2543 8.2544 8.2544 8.5964 8.5964 9.3160 9.3160 10.6847 10.6847 10.6851 10.6851 10.9315 10.9315 11.6911 11.6911 11.6915 11.6915 12.2035 12.2035 12.2044 12.2044 12.2260 12.2260 12.3454 12.3454 12.3828 12.3828 12.3840 12.3840 12.6243 12.6243 12.6261 12.6261 12.7970 12.7970 14.6591 14.6591 15.3090 15.3090 15.3151 15.3151 19.9468 19.9468 21.4838 21.4838 k = 0.0000 0.0000 0.0000 ( 1863 PWs) bands (ev): 4.1682 4.1682 7.1882 7.1882 7.1882 7.1882 8.2539 8.2539 8.2539 8.2539 8.5960 8.5960 9.3156 9.3156 10.6849 10.6849 10.6849 10.6849 10.9315 10.9315 11.6914 11.6914 11.6914 11.6914 12.2049 12.2049 12.2049 12.2049 12.2264 12.2264 12.3466 12.3466 12.3847 12.3847 12.3847 12.3847 12.6270 12.6270 12.6270 12.6270 12.7993 12.7993 14.6577 14.6577 15.3123 15.3123 15.3123 15.3123 19.9405 19.9405 21.4822 21.4822 k = 0.0000 0.0000 0.0000 ( 1863 PWs) bands (ev): 4.1682 4.1682 7.1882 7.1882 7.1882 7.1882 8.2539 8.2539 8.2539 8.2539 8.5960 8.5960 9.3156 9.3156 10.6849 10.6849 10.6849 10.6849 10.9315 10.9315 11.6914 11.6914 11.6914 11.6914 12.2049 12.2049 12.2049 12.2049 12.2264 12.2264 12.3466 12.3466 12.3847 12.3847 12.3847 12.3847 12.6270 12.6270 12.6270 12.6270 12.7993 12.7993 14.6577 14.6577 15.3123 15.3123 15.3123 15.3123 19.9405 19.9405 21.4822 21.4822 k = 0.0068 0.0068 0.0068 ( 1863 PWs) bands (ev): 4.1699 4.1699 7.1888 7.1888 7.1890 7.1890 8.2543 8.2543 8.2544 8.2544 8.5964 8.5964 9.3160 9.3160 10.6847 10.6847 10.6851 10.6851 10.9315 10.9315 11.6911 11.6911 11.6914 11.6914 12.2035 12.2035 12.2044 12.2044 12.2259 12.2259 12.3453 12.3453 12.3828 12.3828 12.3839 12.3839 12.6245 12.6245 12.6259 12.6259 12.7970 12.7970 14.6592 14.6592 15.3119 15.3119 15.3121 15.3121 19.9469 19.9469 21.4860 21.4860 k = 0.0137 0.0137 0.0137 ( 1857 PWs) bands (ev): 4.1750 4.1750 7.1903 7.1903 7.1912 7.1912 8.2555 8.2555 8.2562 8.2562 8.5979 8.5979 9.3174 9.3174 10.6844 10.6844 10.6860 10.6860 10.9318 10.9318 11.6903 11.6903 11.6912 11.6912 12.1996 12.1996 12.2031 12.2031 12.2246 12.2246 12.3416 12.3416 12.3772 12.3772 12.3812 12.3812 12.6171 12.6171 12.6227 12.6227 12.7901 12.7901 14.6636 14.6636 15.3108 15.3108 15.3117 15.3117 19.9663 19.9663 21.4972 21.4972 k = 0.0205 0.0205 0.0205 ( 1857 PWs) bands (ev): 4.1835 4.1835 7.1929 7.1929 7.1948 7.1948 8.2574 8.2574 8.2590 8.2590 8.6002 8.6002 9.3195 9.3195 10.6837 10.6837 10.6873 10.6873 10.9322 10.9322 11.6888 11.6888 11.6909 11.6909 12.1927 12.1927 12.2008 12.2008 12.2221 12.2221 12.3352 12.3352 12.3677 12.3677 12.3768 12.3768 12.6053 12.6053 12.6175 12.6175 12.7788 12.7788 14.6708 14.6708 15.3090 15.3090 15.3110 15.3110 19.9984 19.9984 21.5158 21.5160 k = 0.0274 0.0274 0.0274 ( 1851 PWs) bands (ev): 4.1955 4.1955 7.1965 7.1965 7.1999 7.1999 8.2602 8.2602 8.2630 8.2630 8.6035 8.6035 9.3226 9.3226 10.6828 10.6828 10.6892 10.6892 10.9328 10.9328 11.6868 11.6868 11.6904 11.6904 12.1827 12.1827 12.1976 12.1976 12.2186 12.2186 12.3261 12.3261 12.3545 12.3545 12.3706 12.3706 12.5895 12.5895 12.6104 12.6104 12.7637 12.7637 14.6805 14.6805 15.3064 15.3064 15.3101 15.3101 20.0430 20.0430 21.5418 21.5418 k = 0.0342 0.0342 0.0342 ( 1854 PWs) bands (ev): 4.2108 4.2108 7.2010 7.2010 7.2065 7.2065 8.2637 8.2637 8.2681 8.2681 8.6077 8.6077 9.3264 9.3264 10.6812 10.6812 10.6915 10.6915 10.9335 10.9335 11.6841 11.6841 11.6899 11.6899 12.1693 12.1693 12.1932 12.1932 12.2137 12.2137 12.3142 12.3142 12.3376 12.3376 12.3625 12.3625 12.5705 12.5705 12.6016 12.6016 12.7453 12.7453 14.6924 14.6924 15.3032 15.3032 15.3088 15.3088 20.0999 20.0999 21.5750 21.5750 k = 0.0411 0.0411 0.0411 ( 1860 PWs) bands (ev): 4.2295 4.2295 7.2065 7.2065 7.2144 7.2144 8.2679 8.2679 8.2742 8.2742 8.6128 8.6128 9.3310 9.3310 10.6793 10.6793 10.6943 10.6943 10.9345 10.9345 11.6807 11.6807 11.6890 11.6890 12.1518 12.1518 12.1876 12.1876 12.2074 12.2074 12.2994 12.2994 12.3171 12.3171 12.3523 12.3523 12.5493 12.5493 12.5913 12.5913 12.7244 12.7244 14.7062 14.7062 15.2994 15.2994 15.3071 15.3071 20.1687 20.1687 21.6153 21.6153 k = 0.0479 0.0479 0.0479 ( 1863 PWs) bands (ev): 4.2516 4.2516 7.2130 7.2130 7.2238 7.2238 8.2727 8.2727 8.2816 8.2816 8.6189 8.6189 9.3365 9.3365 10.6769 10.6769 10.6976 10.6976 10.9360 10.9360 11.6767 11.6767 11.6881 11.6881 12.1299 12.1299 12.1805 12.1805 12.1992 12.1992 12.2820 12.2820 12.2932 12.2932 12.3400 12.3400 12.5269 12.5269 12.5799 12.5799 12.7018 12.7018 14.7216 14.7216 15.2951 15.2951 15.3052 15.3052 20.2490 20.2490 21.6625 21.6625 k = 0.0548 0.0548 0.0548 ( 1860 PWs) bands (ev): 4.2770 4.2770 7.2204 7.2204 7.2346 7.2346 8.2783 8.2783 8.2900 8.2900 8.6259 8.6259 9.3428 9.3428 10.6740 10.6740 10.7013 10.7013 10.9379 10.9379 11.6723 11.6723 11.6873 11.6873 12.1031 12.1031 12.1717 12.1717 12.1884 12.1884 12.2623 12.2623 12.2662 12.2662 12.3253 12.3253 12.5045 12.5045 12.5675 12.5675 12.6786 12.6786 14.7380 14.7380 15.2901 15.2901 15.3028 15.3028 20.3404 20.3404 21.7165 21.7165 k = 0.0616 0.0616 0.0616 ( 1863 PWs) bands (ev): 4.3058 4.3058 7.2286 7.2286 7.2467 7.2467 8.2844 8.2844 8.2995 8.2995 8.6337 8.6337 9.3498 9.3498 10.6703 10.6703 10.7054 10.7054 10.9403 10.9403 11.6672 11.6672 11.6865 11.6865 12.0710 12.0710 12.1603 12.1603 12.1740 12.1740 12.2370 12.2370 12.2412 12.2412 12.3078 12.3078 12.4830 12.4830 12.5545 12.5545 12.6555 12.6555 14.7553 14.7553 15.2847 15.2847 15.3001 15.3001 20.4423 20.4423 21.7769 21.7769 k = 0.0685 0.0685 0.0685 ( 1863 PWs) bands (ev): 4.3379 4.3379 7.2377 7.2377 7.2603 7.2603 8.2910 8.2910 8.3101 8.3101 8.6425 8.6425 9.3576 9.3576 10.6659 10.6659 10.7100 10.7100 10.9433 10.9433 11.6615 11.6615 11.6856 11.6856 12.0333 12.0333 12.1447 12.1447 12.1543 12.1543 12.2072 12.2072 12.2202 12.2202 12.2878 12.2878 12.4632 12.4632 12.5410 12.5410 12.6335 12.6335 14.7729 14.7729 15.2787 15.2787 15.2969 15.2969 20.5543 20.5543 21.8434 21.8434 k = 0.0753 0.0753 0.0753 ( 1863 PWs) bands (ev): 4.3733 4.3733 7.2476 7.2476 7.2752 7.2752 8.2981 8.2981 8.3218 8.3218 8.6522 8.6522 9.3662 9.3662 10.6606 10.6606 10.7150 10.7150 10.9469 10.9469 11.6550 11.6550 11.6848 11.6848 11.9905 11.9905 12.1220 12.1220 12.1276 12.1276 12.1799 12.1799 12.2007 12.2007 12.2652 12.2652 12.4456 12.4456 12.5274 12.5274 12.6129 12.6129 14.7907 14.7907 15.2723 15.2723 15.2933 15.2933 20.6758 20.6758 21.9157 21.9157 k = 0.0822 0.0822 0.0822 ( 1869 PWs) bands (ev): 4.4119 4.4119 7.2582 7.2582 7.2915 7.2915 8.3057 8.3057 8.3346 8.3346 8.6628 8.6628 9.3755 9.3755 10.6543 10.6543 10.7201 10.7201 10.9511 10.9511 11.6475 11.6475 11.6839 11.6839 11.9429 11.9429 12.0902 12.0902 12.0936 12.0936 12.1572 12.1572 12.1828 12.1828 12.2407 12.2407 12.4303 12.4303 12.5137 12.5137 12.5943 12.5943 14.8083 14.8083 15.2655 15.2655 15.2892 15.2892 20.8064 20.8064 21.9933 21.9933 k = 0.0890 0.0890 0.0890 ( 1863 PWs) bands (ev): 4.4537 4.4537 7.2695 7.2695 7.3091 7.3091 8.3135 8.3135 8.3485 8.3485 8.6743 8.6743 9.3856 9.3856 10.6471 10.6471 10.7257 10.7257 10.9561 10.9561 11.6391 11.6391 11.6832 11.6832 11.8917 11.8917 12.0510 12.0510 12.0531 12.0531 12.1378 12.1378 12.1658 12.1658 12.2148 12.2148 12.4173 12.4173 12.5003 12.5003 12.5776 12.5776 14.8255 14.8255 15.2582 15.2582 15.2845 15.2845 20.9455 20.9455 22.0757 22.0757 k = 0.0959 0.0959 0.0959 ( 1857 PWs) bands (ev): 4.4988 4.4988 7.2814 7.2814 7.3279 7.3279 8.3216 8.3216 8.3635 8.3635 8.6866 8.6866 9.3962 9.3962 10.6392 10.6392 10.7316 10.7316 10.9618 10.9618 11.6291 11.6291 11.6826 11.6826 11.8381 11.8381 12.0068 12.0068 12.0072 12.0072 12.1193 12.1193 12.1487 12.1487 12.1880 12.1880 12.4061 12.4061 12.4872 12.4872 12.5629 12.5629 14.8421 14.8421 15.2505 15.2505 15.2794 15.2794 21.0926 21.0926 22.1619 22.1619 k = 0.1027 0.1027 0.1027 ( 1857 PWs) bands (ev): 4.5470 4.5470 7.2939 7.2939 7.3481 7.3481 8.3299 8.3299 8.3795 8.3795 8.6999 8.6999 9.4075 9.4075 10.6298 10.6298 10.7376 10.7376 10.9681 10.9681 11.6164 11.6164 11.6821 11.6821 11.7838 11.7838 11.9568 11.9568 11.9593 11.9593 12.1003 12.1003 12.1311 12.1311 12.1605 12.1605 12.3965 12.3965 12.4745 12.4745 12.5499 12.5499 14.8578 14.8578 15.2423 15.2423 15.2737 15.2737 21.2471 21.2471 22.2509 22.2509 k = 0.1096 0.1096 0.1096 ( 1863 PWs) bands (ev): 4.5983 4.5983 7.3068 7.3068 7.3694 7.3694 8.3381 8.3381 8.3964 8.3964 8.7140 8.7140 9.4192 9.4192 10.6193 10.6193 10.7438 10.7438 10.9750 10.9750 11.5987 11.5987 11.6815 11.6815 11.7318 11.7318 11.9030 11.9030 11.9093 11.9093 12.0804 12.0804 12.1124 12.1124 12.1327 12.1327 12.3883 12.3883 12.4625 12.4625 12.5384 12.5384 14.8726 14.8726 15.2336 15.2336 15.2674 15.2674 21.4083 21.4083 22.3411 22.3411 k = 0.1164 0.1164 0.1164 ( 1857 PWs) bands (ev): 4.6527 4.6527 7.3201 7.3201 7.3919 7.3919 8.3463 8.3463 8.4146 8.4146 8.7291 8.7291 9.4315 9.4315 10.6077 10.6077 10.7501 10.7501 10.9825 10.9825 11.5717 11.5717 11.6810 11.6810 11.6873 11.6873 11.8470 11.8470 11.8577 11.8577 12.0594 12.0594 12.0922 12.0922 12.1052 12.1052 12.3812 12.3812 12.4512 12.4512 12.5284 12.5284 14.8863 14.8863 15.2245 15.2245 15.2605 15.2605 21.5756 21.5756 22.4297 22.4297 k = 0.1233 0.1233 0.1233 ( 1857 PWs) bands (ev): 4.7100 4.7100 7.3337 7.3337 7.4156 7.4156 8.3543 8.3543 8.4337 8.4337 8.7451 8.7451 9.4442 9.4442 10.5949 10.5949 10.7565 10.7565 10.9905 10.9905 11.5317 11.5317 11.6540 11.6540 11.6801 11.6801 11.7899 11.7899 11.8052 11.8052 12.0371 12.0371 12.0689 12.0689 12.0795 12.0795 12.3749 12.3749 12.4406 12.4406 12.5193 12.5193 14.8988 14.8988 15.2148 15.2148 15.2529 15.2529 21.7478 21.7478 22.5125 22.5125 k = 0.1301 0.1301 0.1301 ( 1863 PWs) bands (ev): 4.7703 4.7703 7.3475 7.3475 7.4403 7.4403 8.3620 8.3620 8.4537 8.4537 8.7619 8.7619 9.4572 9.4572 10.5809 10.5809 10.7628 10.7628 10.9988 10.9988 11.4810 11.4810 11.6293 11.6293 11.6779 11.6779 11.7334 11.7334 11.7530 11.7530 12.0136 12.0136 12.0418 12.0418 12.0562 12.0562 12.3692 12.3692 12.4306 12.4306 12.5113 12.5113 14.9100 14.9100 15.2045 15.2045 15.2447 15.2447 21.9235 21.9235 22.5826 22.5826 k = 0.1370 0.1370 0.1370 ( 1857 PWs) bands (ev): 4.8335 4.8335 7.3614 7.3614 7.4662 7.4662 8.3692 8.3692 8.4748 8.4748 8.7797 8.7797 9.4704 9.4704 10.5657 10.5657 10.7693 10.7693 11.0077 11.0077 11.4249 11.4249 11.6051 11.6051 11.6676 11.6676 11.6819 11.6819 11.7086 11.7086 11.9893 11.9893 12.0131 12.0131 12.0336 12.0336 12.3642 12.3642 12.4214 12.4214 12.5040 12.5040 14.9199 14.9199 15.1936 15.1936 15.2358 15.2358 22.0994 22.0994 22.6082 22.6082 k = 0.1438 0.1438 0.1438 ( 1869 PWs) bands (ev): 4.8994 4.8994 7.3754 7.3754 7.4930 7.4930 8.3757 8.3757 8.4969 8.4969 8.7983 8.7983 9.4838 9.4838 10.5491 10.5491 10.7750 10.7750 11.0162 11.0162 11.3669 11.3669 11.5703 11.5703 11.6289 11.6289 11.6436 11.6436 11.6919 11.6919 11.9641 11.9641 11.9838 11.9838 12.0107 12.0107 12.3596 12.3596 12.4128 12.4128 12.4973 12.4973 14.9285 14.9285 15.1821 15.1821 15.2262 15.2262 22.2670 22.2670 22.5650 22.5650 k = 0.1507 0.1507 0.1507 ( 1869 PWs) bands (ev): 4.9681 4.9681 7.3892 7.3892 7.5208 7.5208 8.3816 8.3816 8.5199 8.5199 8.8178 8.8178 9.4971 9.4971 10.5315 10.5315 10.7810 10.7810 11.0250 11.0250 11.3094 11.3094 11.5218 11.5218 11.5767 11.5767 11.6211 11.6211 11.6886 11.6886 11.9387 11.9387 11.9544 11.9544 11.9872 11.9872 12.3555 12.3555 12.4049 12.4049 12.4913 12.4913 14.9355 14.9355 15.1698 15.1698 15.2159 15.2159 22.3795 22.3795 22.4977 22.4977 k = 0.1575 0.1575 0.1575 ( 1869 PWs) bands (ev): 5.0394 5.0394 7.4028 7.4028 7.5495 7.5495 8.3866 8.3866 8.5439 8.5439 8.8382 8.8382 9.5103 9.5103 10.5128 10.5128 10.7867 10.7867 11.0337 11.0337 11.2532 11.2532 11.4671 11.4671 11.5226 11.5226 11.6065 11.6065 11.6870 11.6870 11.9133 11.9133 11.9252 11.9252 11.9630 11.9630 12.3517 12.3517 12.3976 12.3976 12.4857 12.4857 14.9411 14.9411 15.1569 15.1569 15.2048 15.2048 22.2922 22.2922 22.5200 22.5200 k = 0.1644 0.1644 0.1644 ( 1881 PWs) bands (ev): 5.1132 5.1132 7.4161 7.4161 7.5790 7.5790 8.3905 8.3905 8.5688 8.5688 8.8594 8.8594 9.5230 9.5230 10.4929 10.4929 10.7921 10.7921 11.0420 11.0420 11.1992 11.1992 11.4111 11.4111 11.4682 11.4682 11.5948 11.5948 11.6850 11.6850 11.8887 11.8887 11.8964 11.8964 11.9381 11.9381 12.3481 12.3481 12.3907 12.3907 12.4806 12.4806 14.9452 14.9452 15.1431 15.1431 15.1928 15.1928 22.1379 22.1379 22.4287 22.4287 k = 0.1712 0.1712 0.1712 ( 1881 PWs) bands (ev): 5.1894 5.1894 7.4290 7.4290 7.6093 7.6093 8.3933 8.3933 8.5946 8.5946 8.8815 8.8815 9.5350 9.5350 10.4724 10.4724 10.7971 10.7971 11.0497 11.0497 11.1482 11.1482 11.3562 11.3562 11.4147 11.4147 11.5843 11.5843 11.6814 11.6814 11.8661 11.8661 11.8685 11.8685 11.9128 11.9128 12.3448 12.3448 12.3844 12.3844 12.4758 12.4758 14.9477 14.9477 15.1285 15.1285 15.1801 15.1801 21.9677 21.9677 22.3062 22.3064 k = 0.1781 0.1781 0.1781 ( 1875 PWs) bands (ev): 5.2678 5.2678 7.4412 7.4412 7.6402 7.6402 8.3949 8.3949 8.6213 8.6213 8.9044 8.9044 9.5463 9.5463 10.4513 10.4513 10.8016 10.8016 11.0563 11.0563 11.1009 11.1009 11.3033 11.3033 11.3624 11.3624 11.5742 11.5742 11.6752 11.6752 11.8418 11.8418 11.8464 11.8464 11.8870 11.8870 12.3417 12.3417 12.3786 12.3786 12.4713 12.4713 14.9486 14.9486 15.1131 15.1131 15.1665 15.1665 21.7893 21.7893 22.1677 22.1677 k = 0.1849 0.1849 0.1849 ( 1869 PWs) bands (ev): 5.3485 5.3485 7.4529 7.4529 7.6718 7.6718 8.3951 8.3951 8.6487 8.6487 8.9279 8.9279 9.5564 9.5564 10.4302 10.4302 10.8055 10.8055 11.0517 11.0517 11.0672 11.0672 11.2531 11.2531 11.3116 11.3116 11.5637 11.5637 11.6651 11.6651 11.8169 11.8169 11.8311 11.8311 11.8608 11.8608 12.3388 12.3388 12.3731 12.3731 12.4671 12.4671 14.9477 14.9477 15.0969 15.0969 15.1520 15.1520 21.6061 21.6061 22.0029 22.0029 k = 0.1918 0.1918 0.1918 ( 1869 PWs) bands (ev): 5.4311 5.4311 7.4636 7.4636 7.7038 7.7038 8.3938 8.3938 8.6770 8.6770 8.9520 8.9520 9.5649 9.5649 10.4094 10.4094 10.8086 10.8086 11.0142 11.0142 11.0679 11.0679 11.2069 11.2069 11.2627 11.2627 11.5524 11.5524 11.6501 11.6501 11.7942 11.7942 11.8211 11.8211 11.8343 11.8343 12.3360 12.3360 12.3680 12.3680 12.4631 12.4631 14.9450 14.9450 15.0798 15.0798 15.1365 15.1365 21.4200 21.4200 21.8372 21.8372 k = 0.1986 0.1986 0.1986 ( 1875 PWs) bands (ev): 5.5154 5.5154 7.4735 7.4735 7.7362 7.7362 8.3911 8.3911 8.7060 8.7060 8.9766 8.9766 9.5716 9.5716 10.3897 10.3897 10.8109 10.8109 10.9778 10.9778 11.0676 11.0676 11.1666 11.1666 11.2161 11.2161 11.5397 11.5397 11.6303 11.6303 11.7743 11.7743 11.8073 11.8073 11.8165 11.8165 12.3333 12.3333 12.3631 12.3631 12.4592 12.4592 14.9404 14.9404 15.0620 15.0620 15.1200 15.1200 21.2325 21.2325 21.6730 21.6730 k = 0.2055 0.2055 0.2055 ( 1869 PWs) bands (ev): 5.6015 5.6015 7.4824 7.4824 7.7688 7.7688 8.3870 8.3870 8.7357 8.7357 9.0014 9.0014 9.5762 9.5762 10.3719 10.3719 10.8120 10.8120 10.9450 10.9450 11.0597 11.0597 11.1364 11.1364 11.1724 11.1724 11.5253 11.5253 11.6068 11.6068 11.7582 11.7582 11.7805 11.7805 11.8166 11.8166 12.3308 12.3308 12.3586 12.3586 12.4556 12.4556 14.9335 14.9335 15.0434 15.0434 15.1025 15.1025 21.0446 21.0446 21.5111 21.5111 k = 0.2123 0.2123 0.2123 ( 1875 PWs) bands (ev): 5.6888 5.6888 7.4901 7.4901 7.8015 7.8015 8.3813 8.3813 8.7660 8.7660 9.0261 9.0261 9.5787 9.5787 10.3566 10.3566 10.8117 10.8117 10.9158 10.9158 11.0404 11.0404 11.1202 11.1202 11.1318 11.1318 11.5086 11.5086 11.5803 11.5803 11.7458 11.7458 11.7533 11.7533 11.8203 11.8203 12.3284 12.3284 12.3543 12.3543 12.4521 12.4521 14.9241 14.9241 15.0243 15.0243 15.0839 15.0839 20.8571 20.8571 21.3520 21.3520 k = 0.2192 0.2192 0.2192 ( 1875 PWs) bands (ev): 5.7774 5.7774 7.4966 7.4966 7.8342 7.8342 8.3744 8.3744 8.7968 8.7968 9.0505 9.0505 9.5790 9.5790 10.3448 10.3448 10.8097 10.8097 10.8900 10.8900 11.0138 11.0138 11.0952 11.0952 11.1140 11.1140 11.4898 11.4898 11.5521 11.5521 11.7260 11.7260 11.7376 11.7376 11.8269 11.8269 12.3260 12.3260 12.3502 12.3502 12.4488 12.4488 14.9120 14.9120 15.0050 15.0050 15.0642 15.0642 20.6708 20.6708 21.1961 21.1961 k = 0.2260 0.2260 0.2260 ( 1875 PWs) bands (ev): 5.8667 5.8667 7.5017 7.5017 7.8665 7.8665 8.3663 8.3663 8.8281 8.8281 9.0739 9.0739 9.5777 9.5777 10.3371 10.3371 10.8058 10.8058 10.8676 10.8676 10.9863 10.9863 11.0629 11.0629 11.1117 11.1117 11.4688 11.4688 11.5227 11.5227 11.6987 11.6987 11.7335 11.7335 11.8357 11.8357 12.3238 12.3238 12.3464 12.3464 12.4456 12.4456 14.8966 14.8966 14.9855 14.9855 15.0432 15.0432 20.4862 20.4862 21.0435 21.0435 k = 0.2329 0.2329 0.2329 ( 1869 PWs) bands (ev): 5.9567 5.9567 7.5055 7.5055 7.8982 7.8982 8.3574 8.3574 8.8598 8.8598 9.0957 9.0957 9.5754 9.5754 10.3340 10.3340 10.7995 10.7995 10.8482 10.8482 10.9608 10.9608 11.0356 11.0356 11.1104 11.1104 11.4462 11.4462 11.4928 11.4928 11.6715 11.6715 11.7332 11.7332 11.8463 11.8463 12.3216 12.3216 12.3427 12.3427 12.4426 12.4426 14.8778 14.8778 14.9662 14.9662 15.0210 15.0210 20.3039 20.3039 20.8942 20.8942 k = 0.2397 0.2397 0.2397 ( 1869 PWs) bands (ev): 6.0468 6.0468 7.5077 7.5077 7.9289 7.9289 8.3479 8.3479 8.8916 8.8916 9.1149 9.1149 9.5733 9.5733 10.3354 10.3354 10.7907 10.7907 10.8316 10.8316 10.9385 10.9385 11.0134 11.0134 11.1090 11.1090 11.4222 11.4222 11.4627 11.4627 11.6443 11.6443 11.7362 11.7362 11.8584 11.8584 12.3195 12.3195 12.3393 12.3393 12.4396 12.4396 14.8554 14.8554 14.9469 14.9469 14.9974 14.9974 20.1241 20.1241 20.7484 20.7484 k = 0.2466 0.2466 0.2466 ( 1869 PWs) bands (ev): 6.1368 6.1368 7.5085 7.5085 7.9580 7.9580 8.3386 8.3386 8.9236 8.9236 9.1305 9.1305 9.5731 9.5731 10.3415 10.3415 10.7798 10.7798 10.8178 10.8178 10.9198 10.9198 10.9963 10.9963 11.1072 11.1072 11.3973 11.3973 11.4326 11.4326 11.6173 11.6173 11.7422 11.7422 11.8717 11.8717 12.3175 12.3175 12.3360 12.3360 12.4368 12.4368 14.8295 14.8295 14.9274 14.9274 14.9724 14.9724 19.9473 19.9473 20.6062 20.6062 k = 0.2534 0.2534 0.2534 ( 1860 PWs) bands (ev): 6.2262 6.2262 7.5077 7.5077 7.9849 7.9849 8.3301 8.3301 8.9556 8.9556 9.1414 9.1414 9.5766 9.5766 10.3520 10.3520 10.7675 10.7675 10.8067 10.8067 10.9049 10.9049 10.9840 10.9840 11.1050 11.1050 11.3719 11.3719 11.4030 11.4030 11.5907 11.5907 11.7509 11.7509 11.8862 11.8862 12.3154 12.3154 12.3328 12.3328 12.4341 12.4341 14.8002 14.8002 14.9075 14.9075 14.9460 14.9460 19.7737 19.7737 20.4676 20.4676 k = 0.2603 0.2603 0.2603 ( 1860 PWs) bands (ev): 6.3145 6.3145 7.5054 7.5054 8.0084 8.0084 8.3236 8.3236 8.9874 8.9874 9.1466 9.1466 9.5853 9.5853 10.3668 10.3668 10.7542 10.7542 10.7982 10.7982 10.8938 10.8938 10.9757 10.9757 11.1020 11.1020 11.3462 11.3462 11.3740 11.3740 11.5642 11.5642 11.7616 11.7616 11.9015 11.9015 12.3135 12.3135 12.3299 12.3299 12.4314 12.4314 14.7678 14.7678 14.8866 14.8866 14.9180 14.9180 19.6036 19.6036 20.3328 20.3328 k = 0.2671 0.2671 0.2671 ( 1860 PWs) bands (ev): 6.4012 6.4012 7.5015 7.5015 8.0275 8.0275 8.3204 8.3204 9.0188 9.0188 9.1459 9.1459 9.6005 9.6005 10.3853 10.3853 10.7411 10.7411 10.7923 10.7923 10.8865 10.8865 10.9705 10.9705 11.0985 11.0985 11.3207 11.3207 11.3459 11.3459 11.5380 11.5380 11.7742 11.7742 11.9175 11.9175 12.3116 12.3116 12.3270 12.3270 12.4289 12.4289 14.7325 14.7325 14.8643 14.8643 14.8884 14.8884 19.4374 19.4374 20.2019 20.2019 k = 0.2740 0.2740 0.2740 ( 1866 PWs) bands (ev): 6.4858 6.4858 7.4960 7.4960 8.0408 8.0408 8.3219 8.3219 9.0498 9.0498 9.1396 9.1396 9.6226 9.6226 10.4072 10.4072 10.7289 10.7289 10.7891 10.7891 10.8826 10.8826 10.9676 10.9676 11.0946 11.0946 11.2953 11.2953 11.3188 11.3188 11.5122 11.5122 11.7883 11.7883 11.9343 11.9343 12.3098 12.3098 12.3243 12.3243 12.4265 12.4265 14.6945 14.6945 14.8405 14.8405 14.8571 14.8571 19.2751 19.2751 20.0750 20.0750 k = 0.2808 0.2808 0.2808 ( 1854 PWs) bands (ev): 6.5676 6.5676 7.4891 7.4891 8.0476 8.0476 8.3290 8.3290 9.0801 9.0801 9.1289 9.1289 9.6516 9.6516 10.4324 10.4324 10.7183 10.7183 10.7888 10.7888 10.8825 10.8825 10.9667 10.9667 11.0905 11.0905 11.2708 11.2708 11.2934 11.2934 11.4869 11.4869 11.8038 11.8038 11.9517 11.9517 12.3080 12.3080 12.3219 12.3219 12.4241 12.4241 14.6538 14.6538 14.8149 14.8149 14.8241 14.8241 19.1171 19.1171 19.9521 19.9521 k = 0.2877 0.2877 0.2877 ( 1857 PWs) bands (ev): 6.6461 6.6461 7.4806 7.4806 8.0477 8.0477 8.3417 8.3417 9.1096 9.1096 9.1150 9.1150 9.6867 9.6867 10.4598 10.4598 10.7097 10.7097 10.7912 10.7912 10.8856 10.8856 10.9668 10.9668 11.0860 11.0860 11.2468 11.2468 11.2696 11.2696 11.4622 11.4622 11.8204 11.8204 11.9695 11.9695 12.3063 12.3063 12.3195 12.3195 12.4219 12.4219 14.6104 14.6104 14.7871 14.7871 14.7891 14.7891 18.9635 18.9635 19.8334 19.8334 k = 0.2945 0.2945 0.2945 ( 1857 PWs) bands (ev): 6.7206 6.7206 7.4708 7.4708 8.0419 8.0419 8.3594 8.3594 9.0996 9.0996 9.1381 9.1381 9.7273 9.7273 10.4892 10.4892 10.7035 10.7035 10.7966 10.7966 10.8921 10.8921 10.9675 10.9675 11.0815 11.0815 11.2237 11.2237 11.2481 11.2481 11.4381 11.4381 11.8379 11.8379 11.9877 11.9877 12.3046 12.3046 12.3173 12.3173 12.4197 12.4197 14.5644 14.5644 14.7523 14.7523 14.7570 14.7570 18.8145 18.8145 19.7188 19.7188 k = 0.3014 0.3014 0.3014 ( 1851 PWs) bands (ev): 6.7905 6.7905 7.4597 7.4597 8.0317 8.0317 8.3807 8.3807 9.0842 9.0842 9.1655 9.1655 9.7729 9.7729 10.5204 10.5204 10.6997 10.6997 10.8050 10.8050 10.9020 10.9020 10.9684 10.9684 11.0770 11.0770 11.2017 11.2017 11.2295 11.2295 11.4147 11.4147 11.8563 11.8563 12.0064 12.0064 12.3030 12.3030 12.3152 12.3152 12.4176 12.4176 14.5159 14.5159 14.7136 14.7136 14.7244 14.7244 18.6703 18.6703 19.6085 19.6085 k = 0.3082 0.3082 0.3082 ( 1851 PWs) bands (ev): 6.8552 6.8552 7.4474 7.4474 8.0181 8.0181 8.4040 8.4040 9.0700 9.0700 9.1916 9.1916 9.8226 9.8226 10.5529 10.5529 10.6982 10.6982 10.8162 10.8162 10.9150 10.9150 10.9687 10.9687 11.0726 11.0726 11.1813 11.1813 11.2145 11.2145 11.3921 11.3921 11.8751 11.8751 12.0251 12.0251 12.3014 12.3014 12.3134 12.3134 12.4157 12.4157 14.4649 14.4649 14.6728 14.6728 14.6892 14.6892 18.5311 18.5311 19.5026 19.5026 k = 0.3151 0.3151 0.3151 ( 1854 PWs) bands (ev): 6.9142 6.9142 7.4340 7.4340 8.0024 8.0024 8.4279 8.4279 9.0582 9.0582 9.2162 9.2162 9.8760 9.8760 10.5866 10.5866 10.6991 10.6991 10.8304 10.8304 10.9311 10.9311 10.9677 10.9677 11.0682 11.0682 11.1628 11.1628 11.2039 11.2039 11.3704 11.3704 11.8944 11.8944 12.0439 12.0439 12.2999 12.2999 12.3116 12.3116 12.4137 12.4137 14.4113 14.4113 14.6299 14.6299 14.6512 14.6512 18.3969 18.3969 19.4010 19.4010 k = 0.3219 0.3219 0.3219 ( 1854 PWs) bands (ev): 6.9671 6.9671 7.4196 7.4196 7.9853 7.9853 8.4514 8.4514 9.0502 9.0502 9.2394 9.2394 9.9327 9.9327 10.6212 10.6212 10.7020 10.7020 10.8471 10.8471 10.9500 10.9500 10.9651 10.9651 11.0639 11.0639 11.1472 11.1472 11.1985 11.1985 11.3499 11.3499 11.9140 11.9140 12.0627 12.0627 12.2984 12.2984 12.3102 12.3102 12.4120 12.4120 14.3553 14.3553 14.5848 14.5848 14.6102 14.6102 18.2679 18.2679 19.3038 19.3038 k = 0.3288 0.3288 0.3288 ( 1842 PWs) bands (ev): 7.0136 7.0136 7.4044 7.4044 7.9675 7.9675 8.4732 8.4732 9.0466 9.0466 9.2610 9.2610 9.9920 9.9920 10.6567 10.6567 10.7067 10.7067 10.8662 10.8662 10.9605 10.9605 10.9711 10.9711 11.0594 11.0594 11.1361 11.1361 11.1993 11.1993 11.3308 11.3308 11.9337 11.9337 12.0814 12.0814 12.2972 12.2972 12.3091 12.3091 12.4104 12.4104 14.2968 14.2968 14.5376 14.5376 14.5662 14.5662 18.1442 18.1442 19.2110 19.2110 k = 0.3356 0.3356 0.3356 ( 1842 PWs) bands (ev): 7.0536 7.0536 7.3884 7.3884 7.9493 7.9493 8.4926 8.4926 9.0481 9.0481 9.2810 9.2810 10.0531 10.0531 10.6933 10.6933 10.7126 10.7126 10.8866 10.8866 10.9539 10.9539 10.9933 10.9933 11.0538 11.0538 11.1318 11.1318 11.2060 11.2060 11.3134 11.3134 11.9535 11.9535 12.0998 12.0998 12.2958 12.2958 12.3082 12.3082 12.4088 12.4088 14.2359 14.2359 14.4882 14.4882 14.5191 14.5191 18.0259 18.0259 19.1207 19.1207 k = 0.3425 0.3425 0.3425 ( 1848 PWs) bands (ev): 7.0871 7.0871 7.3718 7.3718 7.9311 7.9311 8.5089 8.5089 9.0550 9.0550 9.2993 9.2993 10.1153 10.1153 10.7194 10.7194 10.7313 10.7313 10.9071 10.9071 10.9456 10.9456 11.0148 11.0148 11.0469 11.0469 11.1376 11.1376 11.2189 11.2189 11.2981 11.2981 11.9732 11.9732 12.1179 12.1179 12.2945 12.2945 12.3075 12.3075 12.4073 12.4073 14.1727 14.1727 14.4365 14.4365 14.4687 14.4687 17.9129 17.9129 19.0251 19.0251 k = 0.3493 0.3493 0.3493 ( 1854 PWs) bands (ev): 7.1144 7.1144 7.3548 7.3548 7.9129 7.9129 8.5219 8.5219 9.0671 9.0671 9.3160 9.3160 10.1773 10.1773 10.7263 10.7263 10.7715 10.7715 10.9258 10.9258 10.9364 10.9364 11.0319 11.0319 11.0418 11.0418 11.1552 11.1552 11.2377 11.2377 11.2865 11.2865 11.9928 11.9928 12.1355 12.1355 12.2933 12.2933 12.3073 12.3073 12.4058 12.4058 14.1073 14.1073 14.3827 14.3827 14.4151 14.4151 17.8052 17.8052 18.9339 18.9339 k = 0.3562 0.3562 0.3562 ( 1857 PWs) bands (ev): 7.1358 7.1358 7.3374 7.3374 7.8950 7.8950 8.5317 8.5317 9.0840 9.0840 9.3311 9.3311 10.2381 10.2381 10.7330 10.7330 10.8145 10.8145 10.9272 10.9272 10.9404 10.9404 11.0285 11.0285 11.0564 11.0564 11.1825 11.1825 11.2621 11.2621 11.2814 11.2814 12.0122 12.0122 12.1524 12.1524 12.2921 12.2921 12.3075 12.3075 12.4045 12.4045 14.0398 14.0398 14.3266 14.3266 14.3583 14.3583 17.7028 17.7028 18.8470 18.8470 k = 0.3630 0.3630 0.3630 ( 1857 PWs) bands (ev): 7.1517 7.1517 7.3199 7.3199 7.8773 7.8773 8.5387 8.5387 9.1048 9.1048 9.3447 9.3447 10.2962 10.2962 10.7387 10.7387 10.8607 10.8607 10.9186 10.9186 10.9493 10.9493 11.0220 11.0220 11.0762 11.0762 11.2125 11.2125 11.2894 11.2894 11.2916 11.2916 12.0313 12.0313 12.1686 12.1686 12.2909 12.2909 12.3084 12.3084 12.4034 12.4034 13.9702 13.9702 14.2684 14.2684 14.2983 14.2983 17.6055 17.6055 18.7645 18.7645 k = 0.3699 0.3699 0.3699 ( 1860 PWs) bands (ev): 7.1629 7.1629 7.3023 7.3023 7.8599 7.8599 8.5433 8.5433 9.1285 9.1285 9.3568 9.3568 10.3502 10.3502 10.7428 10.7428 10.9087 10.9087 10.9115 10.9115 10.9536 10.9536 11.0179 11.0179 11.0953 11.0953 11.2371 11.2371 11.3197 11.3197 11.3260 11.3260 12.0501 12.0501 12.1837 12.1837 12.2898 12.2898 12.3099 12.3099 12.4023 12.4023 13.8989 13.8989 14.2080 14.2080 14.2351 14.2351 17.5132 17.5132 18.6864 18.6864 k = 0.3767 0.3767 0.3767 ( 1854 PWs) bands (ev): 7.1698 7.1698 7.2848 7.2848 7.8428 7.8428 8.5461 8.5461 9.1541 9.1541 9.3676 9.3676 10.3992 10.3992 10.7450 10.7450 10.9062 10.9062 10.9406 10.9406 10.9688 10.9688 11.0203 11.0203 11.1100 11.1100 11.2619 11.2619 11.3648 11.3648 11.3700 11.3700 12.0687 12.0687 12.1979 12.1979 12.2888 12.2888 12.3124 12.3124 12.4014 12.4014 13.8258 13.8258 14.1456 14.1456 14.1689 14.1689 17.4256 17.4256 18.6127 18.6127 k = 0.3836 0.3836 0.3836 ( 1854 PWs) bands (ev): 7.1731 7.1731 7.2676 7.2676 7.8260 7.8260 8.5476 8.5476 9.1807 9.1807 9.3771 9.3771 10.4426 10.4426 10.7449 10.7449 10.9032 10.9032 10.9402 10.9402 10.9918 10.9918 11.0484 11.0484 11.1184 11.1184 11.2958 11.2958 11.4078 11.4078 11.4323 11.4323 12.0866 12.0866 12.2104 12.2104 12.2879 12.2879 12.3160 12.3160 12.4005 12.4005 13.7512 13.7512 14.0813 14.0813 14.0998 14.0998 17.3425 17.3425 18.5435 18.5435 k = 0.3904 0.3904 0.3904 ( 1851 PWs) bands (ev): 7.1735 7.1735 7.2506 7.2506 7.8096 7.8096 8.5482 8.5482 9.2074 9.2074 9.3854 9.3854 10.4803 10.4803 10.7425 10.7425 10.9023 10.9023 10.9347 10.9347 10.9950 10.9950 11.0965 11.0965 11.1281 11.1281 11.3407 11.3407 11.4547 11.4547 11.5033 11.5033 12.1041 12.1041 12.2213 12.2213 12.2871 12.2871 12.3207 12.3207 12.3998 12.3998 13.6753 13.6753 14.0152 14.0152 14.0281 14.0281 17.2634 17.2634 18.4786 18.4786 k = 0.3973 0.3973 0.3973 ( 1848 PWs) bands (ev): 7.1714 7.1714 7.2341 7.2341 7.7935 7.7935 8.5482 8.5482 9.2335 9.2335 9.3927 9.3927 10.5126 10.5126 10.7382 10.7382 10.9034 10.9034 10.9282 10.9282 10.9937 10.9937 11.1104 11.1104 11.1756 11.1756 11.3946 11.3946 11.5051 11.5051 11.5816 11.5816 12.1211 12.1211 12.2305 12.2305 12.2863 12.2863 12.3267 12.3267 12.3993 12.3993 13.5984 13.5984 13.9474 13.9474 13.9538 13.9538 17.1881 17.1881 18.4181 18.4181 k = 0.4041 0.4041 0.4041 ( 1848 PWs) bands (ev): 7.1675 7.1675 7.2182 7.2182 7.7779 7.7779 8.5479 8.5479 9.2587 9.2587 9.3990 9.3990 10.5401 10.5401 10.7325 10.7325 10.9059 10.9059 10.9217 10.9217 10.9911 10.9911 11.1088 11.1088 11.2390 11.2390 11.4552 11.4552 11.5584 11.5584 11.6663 11.6663 12.1377 12.1377 12.2380 12.2380 12.2857 12.2857 12.3340 12.3340 12.3989 12.3989 13.5206 13.5206 13.8773 13.8773 13.8780 13.8780 17.1160 17.1160 18.3619 18.3619 k = 0.4110 0.4110 0.4110 ( 1859 PWs) bands (ev): 7.1622 7.1622 7.2029 7.2029 7.7627 7.7627 8.5472 8.5472 9.2825 9.2825 9.4044 9.4044 10.5633 10.5633 10.7257 10.7257 10.9094 10.9094 10.9154 10.9154 10.9878 10.9878 11.1052 11.1052 11.3045 11.3045 11.5209 11.5209 11.6143 11.6143 11.7561 11.7561 12.1542 12.1542 12.2440 12.2440 12.2851 12.2851 12.3422 12.3422 12.3985 12.3985 13.4424 13.4424 13.7989 13.7989 13.8074 13.8074 17.0467 17.0467 18.3100 18.3100 k = 0.4178 0.4178 0.4178 ( 1868 PWs) bands (ev): 7.1560 7.1560 7.1884 7.1884 7.7483 7.7483 8.5465 8.5465 9.3047 9.3047 9.4090 9.4090 10.5829 10.5829 10.7183 10.7183 10.9097 10.9097 10.9136 10.9136 10.9840 10.9840 11.1016 11.1016 11.3706 11.3706 11.5901 11.5901 11.6724 11.6724 11.8493 11.8493 12.1710 12.1710 12.2489 12.2489 12.2849 12.2849 12.3512 12.3512 12.3984 12.3984 13.3641 13.3641 13.7189 13.7189 13.7356 13.7356 16.9797 16.9797 18.2623 18.2623 k = 0.4247 0.4247 0.4247 ( 1868 PWs) bands (ev): 7.1491 7.1491 7.1747 7.1747 7.7345 7.7345 8.5458 8.5458 9.3251 9.3251 9.4129 9.4129 10.5995 10.5995 10.7109 10.7109 10.9048 10.9048 10.9182 10.9182 10.9801 10.9801 11.0987 11.0987 11.4374 11.4374 11.6618 11.6618 11.7322 11.7322 11.9425 11.9425 12.1892 12.1892 12.2530 12.2530 12.2852 12.2852 12.3607 12.3607 12.3985 12.3985 13.2864 13.2864 13.6375 13.6375 13.6630 13.6630 16.9145 16.9145 18.2188 18.2188 k = 0.4315 0.4315 0.4315 ( 1868 PWs) bands (ev): 7.1420 7.1420 7.1619 7.1619 7.7216 7.7216 8.5451 8.5451 9.3436 9.3436 9.4162 9.4162 10.6133 10.6133 10.7036 10.7036 10.9006 10.9006 10.9228 10.9228 10.9760 10.9760 11.0963 11.0963 11.5048 11.5048 11.7351 11.7351 11.7929 11.7929 12.0307 12.0307 12.2109 12.2109 12.2567 12.2567 12.2866 12.2866 12.3704 12.3704 12.3989 12.3989 13.2098 13.2098 13.5554 13.5554 13.5900 13.5900 16.8509 16.8509 18.1794 18.1794 k = 0.4384 0.4384 0.4384 ( 1874 PWs) bands (ev): 7.1348 7.1348 7.1502 7.1502 7.7096 7.7096 8.5443 8.5443 9.3603 9.3603 9.4190 9.4190 10.6248 10.6248 10.6966 10.6966 10.8970 10.8970 10.9273 10.9273 10.9718 10.9718 11.0945 11.0945 11.5731 11.5731 11.8093 11.8093 11.8540 11.8540 12.1040 12.1040 12.2394 12.2394 12.2603 12.2603 12.2926 12.2926 12.3802 12.3802 12.3996 12.3996 13.1356 13.1356 13.4728 13.4728 13.5168 13.5168 16.7886 16.7886 18.1439 18.1439 k = 0.4452 0.4452 0.4452 ( 1880 PWs) bands (ev): 7.1279 7.1279 7.1395 7.1395 7.6986 7.6986 8.5436 8.5436 9.3750 9.3750 9.4213 9.4213 10.6343 10.6343 10.6900 10.6900 10.8942 10.8942 10.9315 10.9315 10.9676 10.9676 11.0932 11.0932 11.6424 11.6424 11.8837 11.8837 11.9142 11.9142 12.1526 12.1526 12.2642 12.2642 12.2642 12.2642 12.3197 12.3197 12.3901 12.3901 12.4011 12.4011 13.0655 13.0655 13.3906 13.3906 13.4441 13.4441 16.7275 16.7275 18.1124 18.1124 k = 0.4521 0.4521 0.4521 ( 1874 PWs) bands (ev): 7.1214 7.1214 7.1299 7.1299 7.6887 7.6887 8.5431 8.5431 9.3879 9.3879 9.4232 9.4232 10.6422 10.6422 10.6841 10.6841 10.8921 10.8921 10.9355 10.9355 10.9638 10.9638 11.0925 11.0925 11.7127 11.7127 11.9574 11.9574 11.9726 11.9726 12.1808 12.1808 12.2690 12.2690 12.2718 12.2718 12.3705 12.3705 12.4002 12.4002 12.4053 12.4053 13.0022 13.0022 13.3095 13.3095 13.3724 13.3724 16.6682 16.6682 18.0848 18.0848 k = 0.4589 0.4589 0.4589 ( 1868 PWs) bands (ev): 7.1155 7.1155 7.1215 7.1215 7.6799 7.6799 8.5426 8.5426 9.3989 9.3989 9.4248 9.4248 10.6485 10.6485 10.6788 10.6788 10.8904 10.8904 10.9392 10.9392 10.9603 10.9603 11.0921 11.0921 11.7838 11.7838 12.0272 12.0272 12.0290 12.0290 12.1997 12.1997 12.2735 12.2735 12.2751 12.2751 12.3976 12.3976 12.4108 12.4108 12.4306 12.4306 12.9498 12.9498 13.2312 13.2312 13.3027 13.3027 16.6114 16.6114 18.0611 18.0611 k = 0.4658 0.4658 0.4658 ( 1868 PWs) bands (ev): 7.1103 7.1103 7.1143 7.1143 7.6724 7.6724 8.5422 8.5422 9.4081 9.4081 9.4260 9.4260 10.6535 10.6535 10.6742 10.6742 10.8892 10.8892 10.9423 10.9423 10.9572 10.9572 11.0919 11.0919 11.8556 11.8556 12.0756 12.0756 12.0954 12.0954 12.2165 12.2165 12.2737 12.2737 12.2832 12.2832 12.4026 12.4026 12.4222 12.4222 12.4583 12.4583 12.9125 12.9125 13.1582 13.1582 13.2360 13.2360 16.5583 16.5583 18.0410 18.0410 k = 0.4726 0.4726 0.4726 ( 1856 PWs) bands (ev): 7.1059 7.1059 7.1084 7.1084 7.6662 7.6662 8.5418 8.5418 9.4156 9.4156 9.4270 9.4270 10.6574 10.6574 10.6706 10.6706 10.8885 10.8885 10.9450 10.9450 10.9546 10.9546 11.0919 11.0919 11.9278 11.9278 12.1153 12.1153 12.1494 12.1494 12.2382 12.2382 12.2729 12.2729 12.2938 12.2938 12.4061 12.4061 12.4352 12.4352 12.4613 12.4613 12.8894 12.8894 13.0962 13.0962 13.1742 13.1742 16.5107 16.5107 18.0247 18.0247 k = 0.4795 0.4795 0.4795 ( 1856 PWs) bands (ev): 7.1024 7.1024 7.1037 7.1037 7.6614 7.6614 8.5415 8.5415 9.4213 9.4213 9.4277 9.4277 10.6602 10.6602 10.6676 10.6676 10.8879 10.8879 10.9471 10.9471 10.9525 10.9525 11.0920 11.0920 11.9995 11.9995 12.1444 12.1444 12.1819 12.1819 12.2687 12.2687 12.2723 12.2723 12.3059 12.3059 12.4031 12.4031 12.4492 12.4492 12.4495 12.4495 12.8680 12.8680 13.0543 13.0543 13.1196 13.1196 16.4706 16.4706 18.0121 18.0121 k = 0.4863 0.4863 0.4863 ( 1856 PWs) bands (ev): 7.0998 7.0998 7.1004 7.1004 7.6578 7.6578 8.5413 8.5413 9.4254 9.4254 9.4282 9.4282 10.6622 10.6622 10.6654 10.6654 10.8875 10.8875 10.9485 10.9485 10.9510 10.9510 11.0920 11.0920 12.0697 12.0697 12.1632 12.1632 12.1967 12.1967 12.2648 12.2648 12.3036 12.3036 12.3171 12.3171 12.3762 12.3762 12.4534 12.4534 12.4642 12.4642 12.8370 12.8370 13.0374 13.0374 13.0756 13.0756 16.4401 16.4401 18.0031 18.0031 k = 0.4932 0.4932 0.4932 ( 1856 PWs) bands (ev): 7.0983 7.0983 7.0984 7.0984 7.6557 7.6557 8.5412 8.5412 9.4278 9.4278 9.4285 9.4285 10.6633 10.6633 10.6641 10.6641 10.8873 10.8873 10.9494 10.9494 10.9500 10.9500 11.0921 11.0921 12.1353 12.1353 12.1733 12.1733 12.2030 12.2030 12.2489 12.2489 12.3243 12.3243 12.3249 12.3249 12.3418 12.3418 12.4709 12.4709 12.4758 12.4758 12.8050 12.8050 13.0354 13.0354 13.0465 13.0465 16.4209 16.4209 17.9977 17.9977 k = 0.5000 0.5000 0.5000 ( 1856 PWs) bands (ev): 7.0977 7.0977 7.0977 7.0977 7.6550 7.6550 8.5412 8.5412 9.4286 9.4286 9.4286 9.4286 10.6637 10.6637 10.6637 10.6637 10.8873 10.8873 10.9497 10.9497 10.9497 10.9497 11.0921 11.0921 12.1764 12.1764 12.1764 12.1764 12.2047 12.2047 12.2262 12.2262 12.3276 12.3276 12.3276 12.3276 12.3308 12.3308 12.4803 12.4803 12.4803 12.4803 12.7911 12.7911 13.0362 13.0362 13.0362 13.0362 16.4144 16.4144 17.9959 17.9959 k = 0.5000 0.5000 0.5000 ( 1856 PWs) bands (ev): 7.0977 7.0977 7.0977 7.0977 7.6550 7.6550 8.5412 8.5412 9.4286 9.4286 9.4286 9.4286 10.6637 10.6637 10.6637 10.6637 10.8873 10.8873 10.9497 10.9497 10.9497 10.9497 11.0921 11.0921 12.1764 12.1764 12.1764 12.1764 12.2047 12.2047 12.2262 12.2262 12.3276 12.3276 12.3276 12.3276 12.3308 12.3308 12.4803 12.4803 12.4803 12.4803 12.7911 12.7911 13.0362 13.0362 13.0362 13.0362 16.4144 16.4144 17.9959 17.9959 k = 0.4917 0.5000 0.4917 ( 1856 PWs) bands (ev): 7.0982 7.0982 7.0985 7.0985 7.6557 7.6557 8.5412 8.5412 9.4276 9.4276 9.4287 9.4287 10.6634 10.6634 10.6641 10.6641 10.8873 10.8873 10.9495 10.9495 10.9500 10.9500 11.0921 11.0921 12.1358 12.1358 12.1733 12.1733 12.2028 12.2028 12.2488 12.2488 12.3242 12.3242 12.3247 12.3247 12.3421 12.3421 12.4712 12.4712 12.4755 12.4755 12.8050 12.8050 13.0359 13.0359 13.0458 13.0458 16.4209 16.4209 17.9980 17.9980 k = 0.4833 0.5000 0.4833 ( 1856 PWs) bands (ev): 7.0995 7.0995 7.1006 7.1006 7.6578 7.6578 8.5413 8.5413 9.4247 9.4247 9.4290 9.4290 10.6624 10.6624 10.6652 10.6652 10.8875 10.8875 10.9486 10.9486 10.9509 10.9509 11.0920 11.0920 12.0711 12.0711 12.1631 12.1631 12.1966 12.1966 12.2643 12.2643 12.3032 12.3032 12.3164 12.3164 12.3785 12.3785 12.4541 12.4541 12.4626 12.4626 12.8383 12.8383 13.0368 13.0368 13.0741 13.0741 16.4399 16.4399 18.0039 18.0039 k = 0.4750 0.5000 0.4750 ( 1856 PWs) bands (ev): 7.1018 7.1018 7.1042 7.1042 7.6613 7.6613 8.5415 8.5415 9.4197 9.4197 9.4295 9.4295 10.6608 10.6608 10.6670 10.6670 10.8879 10.8879 10.9473 10.9473 10.9523 10.9523 11.0920 11.0920 12.0018 12.0018 12.1438 12.1438 12.1854 12.1854 12.2626 12.2626 12.2732 12.2732 12.3043 12.3043 12.4062 12.4062 12.4401 12.4401 12.4606 12.4606 12.8744 12.8744 13.0443 13.0443 13.1203 13.1203 16.4705 16.4705 18.0130 18.0130 k = 0.4667 0.5000 0.4667 ( 1860 PWs) bands (ev): 7.1048 7.1048 7.1092 7.1092 7.6661 7.6661 8.5417 8.5417 9.4128 9.4128 9.4301 9.4301 10.6584 10.6584 10.6695 10.6695 10.8883 10.8883 10.9454 10.9454 10.9542 10.9542 11.0919 11.0919 11.9310 11.9310 12.1126 12.1126 12.1677 12.1677 12.2164 12.2164 12.2723 12.2723 12.2908 12.2908 12.4052 12.4052 12.4191 12.4191 12.4962 12.4962 12.8979 12.8979 13.0681 13.0681 13.1823 13.1823 16.5112 16.5112 18.0244 18.0244 k = 0.4583 0.5000 0.4583 ( 1868 PWs) bands (ev): 7.1088 7.1088 7.1155 7.1155 7.6723 7.6723 8.5420 8.5420 9.4039 9.4039 9.4309 9.4309 10.6552 10.6552 10.6726 10.6726 10.8890 10.8890 10.9430 10.9430 10.9566 10.9566 11.0918 11.0918 11.8598 11.8598 12.0686 12.0686 12.1419 12.1419 12.1619 12.1619 12.2722 12.2722 12.2785 12.2785 12.3924 12.3924 12.4043 12.4043 12.5363 12.5363 12.9030 12.9030 13.1131 13.1131 13.2572 13.2572 16.5599 16.5599 18.0369 18.0369 k = 0.4500 0.5000 0.4500 ( 1872 PWs) bands (ev): 7.1135 7.1135 7.1231 7.1231 7.6798 7.6798 8.5423 8.5423 9.3930 9.3930 9.4319 9.4319 10.6511 10.6511 10.6764 10.6764 10.8899 10.8899 10.9401 10.9401 10.9594 10.9594 11.0919 11.0919 11.7889 11.7889 12.0139 12.0139 12.0997 12.0997 12.1107 12.1107 12.2674 12.2674 12.2726 12.2726 12.3735 12.3735 12.3985 12.3985 12.5712 12.5712 12.8952 12.8952 13.1748 13.1748 13.3418 13.3418 16.6146 16.6146 18.0494 18.0494 k = 0.4417 0.5000 0.4417 ( 1872 PWs) bands (ev): 7.1190 7.1190 7.1319 7.1319 7.6886 7.6886 8.5426 8.5426 9.3801 9.3801 9.4330 9.4330 10.6461 10.6461 10.6807 10.6807 10.8911 10.8911 10.9370 10.9370 10.9627 10.9627 11.0923 11.0923 11.7186 11.7186 11.9524 11.9524 12.0377 12.0377 12.0661 12.0661 12.2597 12.2597 12.2715 12.2715 12.3568 12.3568 12.3942 12.3942 12.5993 12.5993 12.8809 12.8809 13.2479 13.2479 13.4337 13.4337 16.6728 16.6728 18.0613 18.0613 k = 0.4333 0.5000 0.4333 ( 1872 PWs) bands (ev): 7.1253 7.1253 7.1419 7.1419 7.6986 7.6986 8.5429 8.5429 9.3652 9.3652 9.4343 9.4343 10.6399 10.6399 10.6854 10.6854 10.8925 10.8925 10.9336 10.9336 10.9663 10.9663 11.0930 11.0930 11.6492 11.6492 11.8873 11.8873 11.9707 11.9707 12.0144 12.0144 12.2533 12.2533 12.2703 12.2703 12.3430 12.3430 12.3905 12.3905 12.6207 12.6207 12.8636 12.8636 13.3295 13.3295 13.5312 13.5312 16.7325 16.7325 18.0721 18.0721 k = 0.4250 0.5000 0.4250 ( 1864 PWs) bands (ev): 7.1322 7.1322 7.1529 7.1529 7.7097 7.7097 8.5431 8.5431 9.3484 9.3484 9.4356 9.4356 10.6327 10.6327 10.6905 10.6905 10.8939 10.8939 10.9302 10.9302 10.9701 10.9701 11.0942 11.0942 11.5808 11.5808 11.8205 11.8205 11.9010 11.9010 11.9557 11.9557 12.2478 12.2478 12.2689 12.2689 12.3318 12.3318 12.3868 12.3868 12.6358 12.6358 12.8450 12.8450 13.4177 13.4177 13.6332 13.6332 16.7917 16.7917 18.0820 18.0820 k = 0.4167 0.5000 0.4167 ( 1864 PWs) bands (ev): 7.1398 7.1398 7.1648 7.1648 7.7219 7.7219 8.5431 8.5431 9.3298 9.3298 9.4371 9.4371 10.6240 10.6240 10.6955 10.6955 10.8948 10.8948 10.9271 10.9271 10.9739 10.9739 11.0958 11.0958 11.5136 11.5136 11.7529 11.7529 11.8301 11.8301 11.8916 11.8916 12.2430 12.2430 12.2672 12.2672 12.3224 12.3224 12.3831 12.3831 12.6453 12.6453 12.8259 12.8259 13.5115 13.5115 13.7387 13.7387 16.8490 16.8490 18.0911 18.0911 k = 0.4083 0.5000 0.4083 ( 1852 PWs) bands (ev): 7.1479 7.1479 7.1776 7.1776 7.7351 7.7351 8.5430 8.5430 9.3094 9.3094 9.4386 9.4386 10.6140 10.6140 10.7004 10.7004 10.8947 10.8947 10.9251 10.9251 10.9777 10.9777 11.0980 11.0980 11.4480 11.4480 11.6848 11.6848 11.7599 11.7599 11.8234 11.8234 12.2385 12.2385 12.2654 12.2654 12.3144 12.3144 12.3794 12.3794 12.6500 12.6500 12.8067 12.8067 13.6100 13.6100 13.8475 13.8475 16.9032 16.9032 18.0997 18.0997 k = 0.4000 0.5000 0.4000 ( 1852 PWs) bands (ev): 7.1565 7.1565 7.1910 7.1910 7.7491 7.7491 8.5424 8.5424 9.2874 9.2874 9.4401 9.4401 10.6022 10.6022 10.7046 10.7046 10.8924 10.8924 10.9249 10.9249 10.9811 10.9811 11.1007 11.1007 11.3844 11.3844 11.6162 11.6162 11.6917 11.6917 11.7527 11.7527 12.2341 12.2341 12.2633 12.2633 12.3072 12.3072 12.3754 12.3754 12.6504 12.6504 12.7876 12.7876 13.7124 13.7124 13.9590 13.9590 16.9538 16.9538 18.1080 18.1080 k = 0.3917 0.5000 0.3917 ( 1844 PWs) bands (ev): 7.1656 7.1656 7.2050 7.2050 7.7637 7.7637 8.5415 8.5415 9.2640 9.2640 9.4416 9.4416 10.5887 10.5887 10.7078 10.7078 10.8875 10.8875 10.9268 10.9268 10.9842 10.9842 11.1038 11.1038 11.3238 11.3238 11.5474 11.5474 11.6265 11.6265 11.6811 11.6811 12.2297 12.2297 12.2610 12.2610 12.3006 12.3006 12.3714 12.3714 12.6472 12.6472 12.7685 12.7685 13.8183 13.8183 14.0730 14.0730 17.0006 17.0006 18.1163 18.1163 k = 0.3833 0.5000 0.3833 ( 1844 PWs) bands (ev): 7.1751 7.1751 7.2193 7.2193 7.7788 7.7788 8.5401 8.5401 9.2394 9.2394 9.4429 9.4429 10.5733 10.5733 10.7086 10.7086 10.8801 10.8801 10.9303 10.9303 10.9865 10.9865 11.1067 11.1067 11.2679 11.2679 11.4792 11.4792 11.5636 11.5636 11.6111 11.6111 12.2253 12.2253 12.2585 12.2585 12.2943 12.2943 12.3671 12.3671 12.6406 12.6406 12.7495 12.7495 13.9273 13.9273 14.1894 14.1894 17.0438 17.0438 18.1247 18.1247 k = 0.3750 0.5000 0.3750 ( 1846 PWs) bands (ev): 7.1848 7.1848 7.2339 7.2339 7.7941 7.7941 8.5379 8.5379 9.2139 9.2139 9.4441 9.4441 10.5557 10.5557 10.7060 10.7060 10.8707 10.8707 10.9347 10.9347 10.9879 10.9879 11.1080 11.1080 11.2194 11.2194 11.4126 11.4126 11.5008 11.5008 11.5459 11.5459 12.2207 12.2207 12.2556 12.2556 12.2884 12.2884 12.3626 12.3626 12.6312 12.6312 12.7304 12.7304 14.0390 14.0390 14.3080 14.3080 17.0835 17.0835 18.1334 18.1334 k = 0.3667 0.5000 0.3667 ( 1850 PWs) bands (ev): 7.1948 7.1948 7.2484 7.2484 7.8095 7.8095 8.5347 8.5347 9.1880 9.1880 9.4451 9.4451 10.5359 10.5359 10.6980 10.6980 10.8601 10.8601 10.9394 10.9394 10.9883 10.9883 11.1041 11.1041 11.1835 11.1835 11.3490 11.3490 11.4363 11.4363 11.4887 11.4887 12.2159 12.2159 12.2525 12.2525 12.2826 12.2826 12.3580 12.3580 12.6192 12.6192 12.7113 12.7113 14.1532 14.1532 14.4287 14.4287 17.1204 17.1204 18.1426 18.1426 k = 0.3583 0.5000 0.3583 ( 1842 PWs) bands (ev): 7.2050 7.2050 7.2628 7.2628 7.8247 7.8247 8.5305 8.5305 9.1622 9.1622 9.4458 9.4458 10.5136 10.5136 10.6826 10.6826 10.8491 10.8491 10.9439 10.9439 10.9876 10.9876 11.0909 11.0909 11.1652 11.1652 11.2902 11.2902 11.3713 11.3713 11.4396 11.4396 12.2110 12.2110 12.2490 12.2490 12.2770 12.2770 12.3532 12.3532 12.6052 12.6052 12.6919 12.6919 14.2698 14.2698 14.5513 14.5513 17.1548 17.1548 18.1524 18.1524 k = 0.3500 0.5000 0.3500 ( 1856 PWs) bands (ev): 7.2153 7.2153 7.2766 7.2766 7.8393 7.8393 8.5248 8.5248 9.1369 9.1369 9.4460 9.4460 10.4886 10.4886 10.6582 10.6582 10.8380 10.8380 10.9465 10.9465 10.9856 10.9856 11.0724 11.0724 11.1590 11.1590 11.2381 11.2381 11.3090 11.3090 11.3974 11.3974 12.2058 12.2058 12.2450 12.2450 12.2714 12.2714 12.3482 12.3482 12.5893 12.5893 12.6721 12.6721 14.3885 14.3885 14.6759 14.6759 17.1872 17.1872 18.1629 18.1629 k = 0.3417 0.5000 0.3417 ( 1856 PWs) bands (ev): 7.2257 7.2257 7.2898 7.2898 7.8531 7.8531 8.5175 8.5175 9.1128 9.1128 9.4458 9.4458 10.4608 10.4608 10.6257 10.6257 10.8259 10.8259 10.9463 10.9463 10.9832 10.9832 11.0557 11.0557 11.1539 11.1539 11.1955 11.1955 11.2542 11.2542 11.3619 11.3619 12.2004 12.2004 12.2405 12.2405 12.2661 12.2661 12.3431 12.3431 12.5719 12.5719 12.6520 12.6520 14.5093 14.5093 14.8023 14.8023 17.2181 17.2181 18.1743 18.1743 k = 0.3333 0.5000 0.3333 ( 1856 PWs) bands (ev): 7.2361 7.2361 7.3019 7.3019 7.8659 7.8659 8.5083 8.5083 9.0904 9.0904 9.4451 9.4451 10.4301 10.4301 10.5866 10.5866 10.8103 10.8103 10.9421 10.9421 10.9819 10.9819 11.0423 11.0423 11.1398 11.1398 11.1614 11.1614 11.2160 11.2160 11.3342 11.3342 12.1947 12.1947 12.2355 12.2355 12.2612 12.2612 12.3379 12.3379 12.5532 12.5532 12.6313 12.6313 14.6321 14.6321 14.9304 14.9304 17.2480 17.2480 18.1866 18.1866 k = 0.3250 0.5000 0.3250 ( 1852 PWs) bands (ev): 7.2464 7.2464 7.3127 7.3127 7.8772 7.8772 8.4971 8.4971 9.0704 9.0704 9.4437 9.4437 10.3969 10.3969 10.5434 10.5434 10.7887 10.7887 10.9356 10.9356 10.9823 10.9823 11.0289 11.0289 11.1132 11.1132 11.1363 11.1363 11.1980 11.1980 11.3165 11.3165 12.1888 12.1888 12.2297 12.2297 12.2565 12.2565 12.3327 12.3327 12.5336 12.5336 12.6101 12.6101 14.7566 14.7566 15.0602 15.0602 17.2773 17.2773 18.1999 18.1999 k = 0.3167 0.5000 0.3167 ( 1852 PWs) bands (ev): 7.2566 7.2566 7.3217 7.3217 7.8869 7.8869 8.4838 8.4838 9.0530 9.0530 9.4416 9.4416 10.3612 10.3612 10.4980 10.4980 10.7602 10.7602 10.9292 10.9292 10.9839 10.9839 11.0086 11.0086 11.0841 11.0841 11.1256 11.1256 11.1867 11.1867 11.3098 11.3098 12.1825 12.1825 12.2232 12.2232 12.2522 12.2522 12.3274 12.3274 12.5130 12.5130 12.5883 12.5883 14.8830 14.8830 15.1916 15.1916 17.3062 17.3062 18.2144 18.2144 k = 0.3083 0.5000 0.3083 ( 1844 PWs) bands (ev): 7.2665 7.2665 7.3286 7.3286 7.8948 7.8948 8.4686 8.4686 9.0386 9.0386 9.4389 9.4389 10.3233 10.3233 10.4522 10.4522 10.7269 10.7269 10.9234 10.9234 10.9769 10.9769 10.9875 10.9875 11.0660 11.0660 11.1238 11.1238 11.1764 11.1764 11.3130 11.3130 12.1760 12.1760 12.2161 12.2161 12.2483 12.2483 12.3222 12.3222 12.4918 12.4918 12.5660 12.5660 15.0111 15.0111 15.3246 15.3246 17.3352 17.3352 18.2302 18.2302 k = 0.3000 0.5000 0.3000 ( 1844 PWs) bands (ev): 7.2761 7.2761 7.3329 7.3329 7.9005 7.9005 8.4518 8.4518 9.0271 9.0271 9.4354 9.4354 10.2829 10.2829 10.4077 10.4077 10.6914 10.6914 10.9126 10.9126 10.9465 10.9465 10.9898 10.9898 11.0549 11.0549 11.1276 11.1276 11.1687 11.1687 11.3231 11.3231 12.1690 12.1690 12.2081 12.2081 12.2446 12.2446 12.3169 12.3169 12.4701 12.4701 12.5432 12.5432 15.1408 15.1408 15.4590 15.4590 17.3645 17.3645 18.2473 18.2473 k = 0.2917 0.5000 0.2917 ( 1844 PWs) bands (ev): 7.2851 7.2851 7.3343 7.3343 7.9042 7.9042 8.4339 8.4339 9.0182 9.0182 9.4315 9.4315 10.2398 10.2398 10.3668 10.3668 10.6557 10.6557 10.8843 10.8843 10.9329 10.9329 10.9904 10.9904 11.0472 11.0472 11.1351 11.1351 11.1660 11.1660 11.3376 11.3376 12.1617 12.1617 12.1995 12.1995 12.2413 12.2413 12.3118 12.3118 12.4480 12.4480 12.5199 12.5199 15.2721 15.2721 15.5949 15.5949 17.3945 17.3945 18.2659 18.2659 k = 0.2833 0.5000 0.2833 ( 1850 PWs) bands (ev): 7.2931 7.2931 7.3327 7.3327 7.9058 7.9058 8.4157 8.4157 9.0115 9.0115 9.4271 9.4271 10.1934 10.1934 10.3313 10.3313 10.6211 10.6211 10.8473 10.8473 10.9290 10.9290 10.9855 10.9855 11.0448 11.0448 11.1443 11.1443 11.1694 11.1694 11.3549 11.3549 12.1538 12.1538 12.1901 12.1901 12.2382 12.2382 12.3067 12.3067 12.4257 12.4257 12.4961 12.4961 15.4050 15.4050 15.7321 15.7321 17.4253 17.4253 18.2862 18.2862 k = 0.2750 0.5000 0.2750 ( 1862 PWs) bands (ev): 7.2984 7.2984 7.3292 7.3292 7.9054 7.9054 8.3978 8.3978 9.0063 9.0063 9.4224 9.4224 10.1442 10.1442 10.3023 10.3023 10.5878 10.5878 10.8103 10.8103 10.9269 10.9269 10.9736 10.9736 11.0489 11.0489 11.1539 11.1539 11.1789 11.1789 11.3740 11.3740 12.1454 12.1454 12.1800 12.1800 12.2352 12.2352 12.3018 12.3018 12.4032 12.4032 12.4721 12.4721 15.5393 15.5393 15.8707 15.8707 17.4573 17.4573 18.3081 18.3081 k = 0.2667 0.5000 0.2667 ( 1862 PWs) bands (ev): 7.2967 7.2967 7.3277 7.3277 7.9034 7.9034 8.3808 8.3808 9.0019 9.0019 9.4176 9.4176 10.0935 10.0935 10.2800 10.2800 10.5560 10.5560 10.7750 10.7750 10.9246 10.9246 10.9582 10.9582 11.0580 11.0580 11.1641 11.1641 11.1934 11.1934 11.3941 11.3941 12.1364 12.1364 12.1693 12.1693 12.2327 12.2327 12.2972 12.2972 12.3809 12.3809 12.4480 12.4480 15.6750 15.6750 16.0104 16.0104 17.4906 17.4906 18.3319 18.3319 k = 0.2583 0.5000 0.2583 ( 1856 PWs) bands (ev): 7.2846 7.2846 7.3314 7.3314 7.8998 7.8998 8.3652 8.3652 8.9976 8.9976 9.4126 9.4126 10.0432 10.0432 10.2638 10.2638 10.5256 10.5256 10.7417 10.7417 10.9190 10.9190 10.9442 10.9442 11.0698 11.0698 11.1751 11.1751 11.2110 11.2110 11.4153 11.4153 12.1267 12.1267 12.1578 12.1578 12.2305 12.2305 12.2928 12.2928 12.3588 12.3588 12.4240 12.4240 15.8122 15.8122 16.1514 16.1514 17.5256 17.5256 18.3576 18.3576 k = 0.2500 0.5000 0.2500 ( 1856 PWs) bands (ev): 7.2644 7.2644 7.3376 7.3376 7.8951 7.8951 8.3514 8.3514 8.9928 8.9928 9.4073 9.4073 9.9948 9.9948 10.2531 10.2531 10.4963 10.4963 10.7104 10.7104 10.9057 10.9057 10.9373 10.9373 11.0831 11.0831 11.1871 11.1871 11.2306 11.2306 11.4369 11.4369 12.1161 12.1161 12.1457 12.1457 12.2287 12.2287 12.2885 12.2885 12.3372 12.3372 12.4002 12.4002 15.9506 15.9506 16.2934 16.2934 17.5625 17.5625 18.3854 18.3854 k = 0.2417 0.5000 0.2417 ( 1856 PWs) bands (ev): 7.2381 7.2381 7.3446 7.3446 7.8895 7.8895 8.3395 8.3395 8.9868 8.9868 9.4013 9.4013 9.9501 9.9501 10.2473 10.2473 10.4681 10.4681 10.6814 10.6814 10.8873 10.8873 10.9355 10.9355 11.0975 11.0975 11.2002 11.2002 11.2516 11.2516 11.4587 11.4587 12.1045 12.1045 12.1328 12.1328 12.2272 12.2272 12.2842 12.2842 12.3165 12.3165 12.3768 12.3768 16.0903 16.0903 16.4364 16.4364 17.6015 17.6015 18.4153 18.4153 k = 0.2333 0.5000 0.2333 ( 1856 PWs) bands (ev): 7.2066 7.2066 7.3517 7.3517 7.8831 7.8831 8.3297 8.3297 8.9796 8.9796 9.3937 9.3937 9.9107 9.9107 10.2458 10.2458 10.4406 10.4406 10.6544 10.6544 10.8674 10.8674 10.9357 10.9357 11.1125 11.1125 11.2143 11.2143 11.2738 11.2738 11.4806 11.4806 12.0917 12.0917 12.1191 12.1191 12.2262 12.2262 12.2780 12.2780 12.2986 12.2986 12.3541 12.3541 16.2311 16.2311 16.5804 16.5804 17.6428 17.6428 18.4476 18.4476 k = 0.2250 0.5000 0.2250 ( 1860 PWs) bands (ev): 7.1707 7.1707 7.3586 7.3586 7.8759 7.8759 8.3218 8.3218 8.9707 8.9707 9.3839 9.3839 9.8779 9.8779 10.2480 10.2480 10.4140 10.4140 10.6295 10.6295 10.8472 10.8472 10.9370 10.9370 11.1281 11.1281 11.2291 11.2291 11.2967 11.2967 11.5021 11.5021 12.0777 12.0777 12.1045 12.1045 12.2256 12.2256 12.2654 12.2654 12.2880 12.2880 12.3327 12.3327 16.3730 16.3730 16.7252 16.7252 17.6867 17.6867 18.4824 18.4824 k = 0.2167 0.5000 0.2167 ( 1856 PWs) bands (ev): 7.1310 7.1310 7.3652 7.3652 7.8681 7.8681 8.3158 8.3158 8.9605 8.9605 9.3710 9.3710 9.8529 9.8529 10.2535 10.2535 10.3883 10.3883 10.6065 10.6065 10.8272 10.8272 10.9392 10.9392 11.1440 11.1440 11.2448 11.2448 11.3200 11.3200 11.5231 11.5231 12.0625 12.0625 12.0889 12.0889 12.2253 12.2253 12.2479 12.2479 12.2835 12.2835 12.3133 12.3133 16.5157 16.5157 16.8708 16.8708 17.7335 17.7335 18.5197 18.5197 k = 0.2083 0.5000 0.2083 ( 1856 PWs) bands (ev): 7.0882 7.0882 7.3714 7.3714 7.8596 7.8596 8.3112 8.3112 8.9488 8.9488 9.3547 9.3547 9.8361 9.8361 10.2617 10.2617 10.3634 10.3634 10.5853 10.5853 10.8075 10.8075 10.9420 10.9420 11.1601 11.1601 11.2610 11.2610 11.3435 11.3435 11.5434 11.5434 12.0462 12.0462 12.0721 12.0721 12.2247 12.2247 12.2298 12.2298 12.2789 12.2789 12.2985 12.2985 16.6592 16.6592 17.0171 17.0171 17.7835 17.7835 18.5596 18.5596 k = 0.2000 0.5000 0.2000 ( 1862 PWs) bands (ev): 7.0430 7.0430 7.3773 7.3773 7.8504 7.8504 8.3080 8.3080 8.9360 8.9360 9.3350 9.3350 9.8275 9.8275 10.2720 10.2720 10.3392 10.3392 10.5658 10.5658 10.7880 10.7880 10.9455 10.9455 11.1763 11.1763 11.2777 11.2777 11.3670 11.3670 11.5628 11.5628 12.0288 12.0288 12.0538 12.0538 12.2115 12.2115 12.2239 12.2239 12.2699 12.2699 12.2925 12.2925 16.8032 16.8032 17.1639 17.1639 17.8369 17.8369 18.6024 18.6024 k = 0.1917 0.5000 0.1917 ( 1866 PWs) bands (ev): 6.9960 6.9960 7.3829 7.3829 7.8404 7.8404 8.3057 8.3057 8.9222 8.9222 9.3127 9.3127 9.8263 9.8263 10.2832 10.2832 10.3171 10.3171 10.5477 10.5477 10.7693 10.7693 10.9498 10.9498 11.1925 11.1925 11.2949 11.2949 11.3900 11.3900 11.5813 11.5813 12.0105 12.0105 12.0339 12.0339 12.1945 12.1945 12.2201 12.2201 12.2608 12.2608 12.2929 12.2929 16.9476 16.9476 17.3112 17.3112 17.8943 17.8943 18.6481 18.6481 k = 0.1833 0.5000 0.1833 ( 1858 PWs) bands (ev): 6.9480 6.9480 7.3881 7.3881 7.8296 7.8296 8.3041 8.3041 8.9077 8.9077 9.2887 9.2887 9.8314 9.8314 10.2855 10.2855 10.3064 10.3064 10.5313 10.5313 10.7512 10.7512 10.9549 10.9549 11.2088 11.2088 11.3125 11.3125 11.4124 11.4124 11.5986 11.5986 11.9916 11.9916 12.0124 12.0124 12.1786 12.1786 12.2119 12.2119 12.2569 12.2569 12.2964 12.2964 17.0918 17.0918 17.4588 17.4588 17.9560 17.9560 18.6969 18.6969 k = 0.1750 0.5000 0.1750 ( 1856 PWs) bands (ev): 6.8993 6.8993 7.3930 7.3930 7.8180 7.8180 8.3030 8.3030 8.8927 8.8927 9.2641 9.2641 9.8415 9.8415 10.2677 10.2677 10.3178 10.3178 10.5162 10.5162 10.7338 10.7338 10.9609 10.9609 11.2248 11.2248 11.3303 11.3303 11.4338 11.4338 11.6146 11.6146 11.9722 11.9722 11.9893 11.9893 12.1638 12.1638 12.2002 12.2002 12.2580 12.2580 12.3018 12.3018 17.2355 17.2355 17.6066 17.6066 18.0225 18.0225 18.7489 18.7489 k = 0.1667 0.5000 0.1667 ( 1852 PWs) bands (ev): 6.8506 6.8506 7.3976 7.3976 7.8058 7.8058 8.3019 8.3019 8.8773 8.8773 9.2400 9.2400 9.8554 9.8554 10.2474 10.2474 10.3334 10.3334 10.5024 10.5024 10.7172 10.7172 10.9677 10.9677 11.2406 11.2406 11.3484 11.3484 11.4540 11.4540 11.6291 11.6291 11.9524 11.9524 11.9648 11.9648 12.1499 12.1499 12.1870 12.1870 12.2624 12.2624 12.3093 12.3093 17.3782 17.3782 17.7544 17.7544 18.0944 18.0944 18.8041 18.8041 k = 0.1583 0.5000 0.1583 ( 1868 PWs) bands (ev): 6.8023 6.8023 7.4018 7.4018 7.7930 7.7930 8.3006 8.3006 8.8617 8.8617 9.2170 9.2170 9.8723 9.8723 10.2274 10.2274 10.3499 10.3499 10.4898 10.4898 10.7010 10.7010 10.9753 10.9753 11.2560 11.2560 11.3665 11.3665 11.4727 11.4727 11.6420 11.6420 11.9322 11.9322 11.9388 11.9388 12.1367 12.1367 12.1734 12.1734 12.2687 12.2687 12.3185 12.3185 17.5191 17.5191 17.9021 17.9021 18.1725 18.1725 18.8627 18.8627 k = 0.1500 0.5000 0.1500 ( 1872 PWs) bands (ev): 6.7548 6.7548 7.4057 7.4057 7.7796 7.7796 8.2990 8.2990 8.8462 8.8462 9.1959 9.1959 9.8912 9.8912 10.2084 10.2084 10.3668 10.3668 10.4785 10.4785 10.6855 10.6855 10.9839 10.9839 11.2711 11.2711 11.3848 11.3848 11.4899 11.4899 11.6535 11.6535 11.9117 11.9117 11.9125 11.9125 12.1246 12.1246 12.1600 12.1600 12.2763 12.2763 12.3296 12.3296 17.6574 17.6574 18.0494 18.0494 18.2577 18.2577 18.9249 18.9249 k = 0.1417 0.5000 0.1417 ( 1872 PWs) bands (ev): 6.7084 6.7084 7.4094 7.4094 7.7659 7.7659 8.2968 8.2968 8.8308 8.8308 9.1770 9.1770 9.9115 9.9115 10.1903 10.1903 10.3835 10.3835 10.4684 10.4684 10.6708 10.6708 10.9934 10.9934 11.2859 11.2859 11.4030 11.4030 11.5053 11.5053 11.6636 11.6636 11.8841 11.8841 11.8926 11.8926 12.1132 12.1132 12.1470 12.1470 12.2850 12.2850 12.3426 12.3426 17.7922 17.7922 18.1959 18.1959 18.3510 18.3510 18.9906 18.9906 k = 0.1333 0.5000 0.1333 ( 1868 PWs) bands (ev): 6.6635 6.6635 7.4129 7.4129 7.7519 7.7519 8.2939 8.2939 8.8159 8.8159 9.1605 9.1605 9.9328 9.9328 10.1732 10.1732 10.3996 10.3996 10.4597 10.4597 10.6568 10.6568 11.0039 11.0039 11.3002 11.3002 11.4212 11.4212 11.5190 11.5190 11.6723 11.6723 11.8559 11.8559 11.8732 11.8732 12.1023 12.1023 12.1343 12.1343 12.2946 12.2946 12.3574 12.3574 17.9224 17.9224 18.3413 18.3413 18.4533 18.4533 19.0600 19.0600 k = 0.1250 0.5000 0.1250 ( 1864 PWs) bands (ev): 6.6202 6.6202 7.4162 7.4162 7.7378 7.7378 8.2903 8.2903 8.8015 8.8015 9.1465 9.1465 9.9546 9.9546 10.1570 10.1570 10.4139 10.4139 10.4531 10.4531 10.6436 10.6436 11.0154 11.0154 11.3139 11.3139 11.4392 11.4392 11.5310 11.5310 11.6795 11.6795 11.8273 11.8273 11.8542 11.8542 12.0919 12.0919 12.1221 12.1221 12.3047 12.3047 12.3736 12.3736 18.0475 18.0475 18.4846 18.4846 18.5659 18.5659 19.1331 19.1331 k = 0.1167 0.5000 0.1167 ( 1868 PWs) bands (ev): 6.5789 6.5789 7.4193 7.4193 7.7236 7.7236 8.2860 8.2860 8.7877 8.7877 9.1347 9.1347 9.9764 9.9764 10.1419 10.1419 10.4236 10.4236 10.4514 10.4514 10.6312 10.6312 11.0278 11.0278 11.3269 11.3269 11.4567 11.4567 11.5413 11.5413 11.6853 11.6853 11.7986 11.7986 11.8355 11.8355 12.0817 12.0817 12.1103 12.1103 12.3151 12.3151 12.3911 12.3911 18.1671 18.1671 18.6247 18.6247 18.6896 18.6896 19.2101 19.2101 k = 0.1083 0.5000 0.1083 ( 1868 PWs) bands (ev): 6.5398 6.5398 7.4223 7.4223 7.7095 7.7095 8.2810 8.2810 8.7747 8.7747 9.1253 9.1253 9.9980 9.9980 10.1278 10.1278 10.4249 10.4249 10.4581 10.4581 10.6195 10.6195 11.0412 11.0412 11.3393 11.3393 11.4738 11.4738 11.5502 11.5502 11.6900 11.6900 11.7700 11.7700 11.8175 11.8175 12.0719 12.0719 12.0991 12.0991 12.3257 12.3257 12.4096 12.4096 18.2815 18.2815 18.7611 18.7611 18.8238 18.8238 19.2909 19.2909 k = 0.1000 0.5000 0.1000 ( 1856 PWs) bands (ev): 6.5030 6.5030 7.4252 7.4252 7.6957 7.6957 8.2755 8.2755 8.7627 8.7627 9.1178 9.1178 10.0191 10.0191 10.1151 10.1151 10.4215 10.4215 10.4695 10.4695 10.6088 10.6088 11.0555 11.0555 11.3509 11.3509 11.4902 11.4902 11.5578 11.5578 11.6938 11.6938 11.7420 11.7420 11.8002 11.8002 12.0623 12.0623 12.0886 12.0886 12.3364 12.3364 12.4286 12.4286 18.3913 18.3913 18.8952 18.8952 18.9655 18.9655 19.3756 19.3756 k = 0.0917 0.5000 0.0917 ( 1862 PWs) bands (ev): 6.4686 6.4686 7.4280 7.4280 7.6822 7.6822 8.2696 8.2696 8.7516 8.7516 9.1121 9.1121 10.0393 10.0393 10.1034 10.1034 10.4168 10.4168 10.4813 10.4813 10.5987 10.5987 11.0707 11.0707 11.3615 11.3615 11.5054 11.5054 11.5643 11.5643 11.6965 11.6965 11.7146 11.7146 11.7833 11.7833 12.0528 12.0528 12.0787 12.0787 12.3469 12.3469 12.4478 12.4478 18.4970 18.4970 19.0281 19.0281 19.1119 19.1119 19.4641 19.4641 k = 0.0833 0.5000 0.0833 ( 1862 PWs) bands (ev): 6.4368 6.4368 7.4308 7.4308 7.6691 7.6691 8.2634 8.2634 8.7414 8.7414 9.1079 9.1079 10.0576 10.0576 10.0938 10.0938 10.4122 10.4122 10.4927 10.4927 10.5895 10.5895 11.0867 11.0867 11.3712 11.3712 11.5191 11.5191 11.5702 11.5702 11.6885 11.6885 11.6985 11.6985 11.7673 11.7673 12.0434 12.0434 12.0696 12.0696 12.3571 12.3571 12.4668 12.4668 18.5991 18.5991 19.1593 19.1593 19.2614 19.2614 19.5565 19.5565 k = 0.0750 0.5000 0.0750 ( 1858 PWs) bands (ev): 6.4077 6.4077 7.4335 7.4335 7.6567 7.6567 8.2572 8.2572 8.7324 8.7324 9.1050 9.1050 10.0698 10.0698 10.0904 10.0904 10.4080 10.4080 10.5031 10.5031 10.5813 10.5813 11.1034 11.1034 11.3796 11.3796 11.5302 11.5302 11.5758 11.5758 11.6648 11.6648 11.6997 11.6997 11.7520 11.7520 12.0342 12.0342 12.0614 12.0614 12.3668 12.3668 12.4852 12.4852 18.6976 18.6976 19.2879 19.2879 19.4131 19.4131 19.6526 19.6526 k = 0.0667 0.5000 0.0667 ( 1862 PWs) bands (ev): 6.3815 6.3815 7.4362 7.4362 7.6450 7.6450 8.2511 8.2511 8.7243 8.7243 9.1031 9.1031 10.0677 10.0677 10.1009 10.1009 10.4042 10.4042 10.5122 10.5122 10.5737 10.5737 11.1207 11.1207 11.3867 11.3867 11.5374 11.5374 11.5815 11.5815 11.6446 11.6446 11.7004 11.7004 11.7375 11.7375 12.0252 12.0252 12.0540 12.0540 12.3759 12.3759 12.5027 12.5027 18.7922 18.7922 19.4126 19.4126 19.5659 19.5659 19.7524 19.7524 k = 0.0583 0.5000 0.0583 ( 1858 PWs) bands (ev): 6.3581 6.3581 7.4388 7.4388 7.6341 7.6341 8.2453 8.2453 8.7172 8.7172 9.1019 9.1019 10.0614 10.0614 10.1155 10.1155 10.4009 10.4009 10.5202 10.5202 10.5672 10.5672 11.1385 11.1385 11.3921 11.3921 11.5388 11.5388 11.5875 11.5875 11.6302 11.6302 11.7008 11.7008 11.7238 11.7238 12.0166 12.0166 12.0475 12.0475 12.3843 12.3843 12.5190 12.5190 18.8821 18.8821 19.5322 19.5322 19.7186 19.7186 19.8557 19.8557 k = 0.0500 0.5000 0.0500 ( 1862 PWs) bands (ev): 6.3378 6.3378 7.4413 7.4413 7.6241 7.6241 8.2399 8.2399 8.7112 8.7112 9.1014 9.1014 10.0549 10.0549 10.1294 10.1294 10.3980 10.3980 10.5268 10.5268 10.5614 10.5614 11.1565 11.1565 11.3956 11.3956 11.5336 11.5336 11.5930 11.5930 11.6235 11.6235 11.7008 11.7008 11.7110 11.7110 12.0085 12.0085 12.0418 12.0418 12.3917 12.3917 12.5336 12.5336 18.9660 18.9660 19.6452 19.6452 19.8693 19.8693 19.9622 19.9622 k = 0.0417 0.5000 0.0417 ( 1862 PWs) bands (ev): 6.3204 6.3204 7.4437 7.4437 7.6154 7.6154 8.2351 8.2351 8.7061 8.7061 9.1012 9.1012 10.0493 10.0493 10.1418 10.1418 10.3956 10.3956 10.5322 10.5322 10.5567 10.5567 11.1744 11.1744 11.3968 11.3968 11.5239 11.5239 11.5973 11.5973 11.6241 11.6241 11.6989 11.6989 11.7008 11.7008 12.0012 12.0012 12.0370 12.0370 12.3982 12.3982 12.5465 12.5465 19.0423 19.0423 19.7498 19.7498 20.0151 20.0151 20.0719 20.0719 k = 0.0333 0.5000 0.0333 ( 1862 PWs) bands (ev): 6.3062 6.3062 7.4459 7.4459 7.6079 7.6079 8.2310 8.2310 8.7019 8.7019 9.1013 9.1013 10.0447 10.0447 10.1523 10.1523 10.3936 10.3936 10.5362 10.5362 10.5532 10.5532 11.1916 11.1916 11.3955 11.3955 11.5131 11.5131 11.6007 11.6007 11.6288 11.6288 11.6880 11.6880 11.7004 11.7004 11.9948 11.9948 12.0331 12.0331 12.4036 12.4036 12.5573 12.5573 19.1089 19.1089 19.8437 19.8437 20.1507 20.1507 20.1853 20.1853 k = 0.0250 0.5000 0.0250 ( 1862 PWs) bands (ev): 6.2950 6.2950 7.4477 7.4477 7.6018 7.6018 8.2277 8.2277 8.6988 8.6988 9.1015 9.1015 10.0410 10.0410 10.1606 10.1606 10.3921 10.3921 10.5388 10.5388 10.5509 10.5509 11.2075 11.2075 11.3917 11.3917 11.5037 11.5037 11.6037 11.6037 11.6348 11.6348 11.6780 11.6780 11.7002 11.7002 11.9895 11.9895 12.0301 12.0301 12.4079 12.4079 12.5660 12.5660 19.1637 19.1637 19.9238 19.9238 20.2698 20.2698 20.3006 20.3006 k = 0.0167 0.5000 0.0167 ( 1862 PWs) bands (ev): 6.2871 6.2871 7.4491 7.4491 7.5973 7.5973 8.2254 8.2254 8.6965 8.6965 9.1017 9.1017 10.0384 10.0384 10.1667 10.1667 10.3910 10.3910 10.5399 10.5399 10.5499 10.5499 11.2207 11.2207 11.3866 11.3866 11.4969 11.4969 11.6063 11.6063 11.6411 11.6411 11.6691 11.6691 11.6999 11.6999 11.9856 11.9856 12.0279 12.0279 12.4110 12.4110 12.5722 12.5722 19.2047 19.2047 19.9859 19.9859 20.3716 20.3716 20.4040 20.4040 k = 0.0083 0.5000 0.0083 ( 1856 PWs) bands (ev): 6.2823 6.2823 7.4500 7.4500 7.5946 7.5946 8.2239 8.2239 8.6951 8.6951 9.1019 9.1019 10.0368 10.0368 10.1705 10.1705 10.3906 10.3906 10.5402 10.5402 10.5497 10.5497 11.2300 11.2300 11.3821 11.3821 11.4930 11.4930 11.6082 11.6082 11.6472 11.6472 11.6614 11.6614 11.6998 11.6998 11.9832 11.9832 12.0266 12.0266 12.4129 12.4129 12.5761 12.5761 19.2301 19.2301 20.0257 20.0257 20.4473 20.4473 20.4787 20.4787 k = 0.0000 0.5000-0.0000 ( 1840 PWs) bands (ev): 6.2807 6.2807 7.4503 7.4503 7.5937 7.5937 8.2234 8.2234 8.6947 8.6947 9.1020 9.1020 10.0363 10.0363 10.1717 10.1717 10.3908 10.3908 10.5401 10.5401 10.5497 10.5497 11.2336 11.2336 11.3804 11.3804 11.4918 11.4918 11.6091 11.6091 11.6520 11.6520 11.6564 11.6564 11.6997 11.6997 11.9825 11.9825 12.0264 12.0264 12.4136 12.4136 12.5774 12.5774 19.2387 19.2387 20.0394 20.0394 20.4762 20.4762 20.5077 20.5077 k = 0.5000 0.5000-0.0000 ( 1852 PWs) bands (ev): 7.2574 7.2574 7.6792 7.6792 8.5259 8.5259 8.8887 8.8887 9.1568 9.1568 9.4160 9.4160 9.4161 9.4161 9.9614 9.9614 10.5458 10.5458 10.5555 10.5555 10.5908 10.5908 10.7192 10.7192 10.7479 10.7479 11.4359 11.4359 11.4615 11.4615 11.4768 11.4768 11.6573 11.6573 11.6597 11.6597 11.7261 11.7261 11.8026 11.8026 13.3519 13.3519 13.4623 13.4623 13.5395 13.5395 14.3078 14.3078 22.5325 22.5325 23.0831 23.0831 k = 0.5000 0.5000 0.0119 ( 1852 PWs) bands (ev): 7.2573 7.2573 7.6795 7.6795 8.5222 8.5222 8.8810 8.8810 9.1589 9.1589 9.4191 9.4191 9.4238 9.4238 9.9617 9.9617 10.5472 10.5472 10.5559 10.5559 10.5918 10.5918 10.7194 10.7194 10.7483 10.7483 11.4338 11.4338 11.4595 11.4595 11.4729 11.4729 11.6614 11.6614 11.6627 11.6627 11.7271 11.7271 11.8041 11.8041 13.3516 13.3516 13.4622 13.4622 13.5394 13.5394 14.3071 14.3071 22.5049 22.5049 23.0391 23.0391 k = 0.5000 0.5000 0.0238 ( 1852 PWs) bands (ev): 7.2569 7.2569 7.6802 7.6802 8.5114 8.5114 8.8591 8.8591 9.1645 9.1645 9.4287 9.4287 9.4456 9.4456 9.9627 9.9627 10.5513 10.5513 10.5572 10.5572 10.5949 10.5949 10.7201 10.7201 10.7495 10.7495 11.4277 11.4277 11.4539 11.4539 11.4623 11.4623 11.6711 11.6711 11.6727 11.6727 11.7299 11.7299 11.8084 11.8084 13.3508 13.3508 13.4619 13.4619 13.5393 13.5393 14.3048 14.3048 22.4275 22.4275 22.9227 22.9227 k = 0.5000 0.5000 0.0357 ( 1860 PWs) bands (ev): 7.2562 7.2562 7.6811 7.6811 8.4948 8.4948 8.8261 8.8261 9.1719 9.1719 9.4453 9.4453 9.4779 9.4779 9.9650 9.9650 10.5580 10.5580 10.5590 10.5590 10.6002 10.6002 10.7212 10.7212 10.7515 10.7515 11.4178 11.4178 11.4455 11.4455 11.4468 11.4468 11.6840 11.6840 11.6891 11.6891 11.7345 11.7345 11.8153 11.8153 13.3494 13.3494 13.4614 13.4614 13.5391 13.5391 14.3010 14.3010 22.3119 22.3119 22.7615 22.7615 k = 0.5000 0.5000 0.0476 ( 1876 PWs) bands (ev): 7.2553 7.2553 7.6822 7.6822 8.4740 8.4740 8.7854 8.7854 9.1792 9.1792 9.4696 9.4696 9.5165 9.5165 9.9692 9.9692 10.5610 10.5610 10.5672 10.5672 10.6078 10.6078 10.7227 10.7227 10.7542 10.7542 11.4049 11.4049 11.4281 11.4281 11.4350 11.4350 11.7002 11.7002 11.7089 11.7089 11.7410 11.7410 11.8247 11.8247 13.3474 13.3474 13.4606 13.4606 13.5388 13.5388 14.2956 14.2956 22.1706 22.1706 22.5755 22.5755 k = 0.5000 0.5000 0.0595 ( 1868 PWs) bands (ev): 7.2541 7.2541 7.6831 7.6831 8.4505 8.4505 8.7399 8.7399 9.1848 9.1848 9.5019 9.5019 9.5577 9.5577 9.9767 9.9767 10.5636 10.5636 10.5792 10.5792 10.6181 10.6181 10.7248 10.7248 10.7580 10.7580 11.3900 11.3900 11.4078 11.4078 11.4232 11.4232 11.7189 11.7189 11.7309 11.7309 11.7495 11.7495 11.8362 11.8362 13.3449 13.3449 13.4597 13.4597 13.5384 13.5384 14.2887 14.2887 22.0130 22.0130 22.3755 22.3755 k = 0.5000 0.5000 0.0714 ( 1852 PWs) bands (ev): 7.2526 7.2526 7.6835 7.6835 8.4261 8.4261 8.6914 8.6914 9.1878 9.1878 9.5419 9.5419 9.5980 9.5980 9.9890 9.9890 10.5663 10.5663 10.5939 10.5939 10.6309 10.6309 10.7273 10.7273 10.7626 10.7626 11.3738 11.3738 11.3867 11.3867 11.4104 11.4104 11.7393 11.7393 11.7534 11.7534 11.7611 11.7611 11.8495 11.8495 13.3418 13.3418 13.4586 13.4586 13.5379 13.5379 14.2802 14.2802 21.8455 21.8455 22.1672 22.1672 k = 0.5000 0.5000 0.0833 ( 1860 PWs) bands (ev): 7.2509 7.2509 7.6829 7.6829 8.4022 8.4022 8.6412 8.6412 9.1881 9.1881 9.5884 9.5884 9.6339 9.6339 10.0082 10.0082 10.5691 10.5691 10.6107 10.6107 10.6459 10.6459 10.7300 10.7300 10.7679 10.7679 11.3568 11.3568 11.3649 11.3649 11.3963 11.3963 11.7608 11.7608 11.7693 11.7693 11.7811 11.7811 11.8639 11.8639 13.3379 13.3379 13.4572 13.4572 13.5372 13.5372 14.2701 14.2701 21.6726 21.6726 21.9534 21.9534 k = 0.5000 0.5000 0.0952 ( 1860 PWs) bands (ev): 7.2488 7.2488 7.6807 7.6807 8.3800 8.3800 8.5901 8.5901 9.1862 9.1862 9.6406 9.6406 9.6629 9.6629 10.0362 10.0362 10.5721 10.5721 10.6299 10.6299 10.6630 10.6630 10.7332 10.7332 10.7745 10.7745 11.3396 11.3396 11.3432 11.3432 11.3817 11.3817 11.7827 11.7827 11.7830 11.7830 11.8056 11.8056 11.8794 11.8794 13.3335 13.3335 13.4555 13.4555 13.5364 13.5364 14.2583 14.2583 21.4971 21.4971 21.7360 21.7360 k = 0.5000 0.5000 0.1071 ( 1860 PWs) bands (ev): 7.2465 7.2465 7.6766 7.6766 8.3606 8.3606 8.5389 8.5389 9.1823 9.1823 9.6835 9.6835 9.6973 9.6973 10.0738 10.0738 10.5752 10.5752 10.6511 10.6511 10.6820 10.6820 10.7368 10.7368 10.7823 10.7823 11.3216 11.3216 11.3225 11.3225 11.3665 11.3665 11.7971 11.7971 11.8058 11.8058 11.8309 11.8309 11.8956 11.8956 13.3283 13.3283 13.4535 13.4535 13.5354 13.5354 14.2448 14.2448 21.3209 21.3209 21.5159 21.5159 k = 0.5000 0.5000 0.1190 ( 1852 PWs) bands (ev): 7.2440 7.2440 7.6700 7.6700 8.3450 8.3450 8.4880 8.4880 9.1771 9.1771 9.6958 9.6958 9.7578 9.7578 10.1205 10.1205 10.5787 10.5787 10.6746 10.6746 10.7024 10.7024 10.7409 10.7409 10.7920 10.7920 11.3005 11.3005 11.3059 11.3059 11.3512 11.3512 11.8127 11.8127 11.8290 11.8290 11.8566 11.8566 11.9124 11.9124 13.3224 13.3224 13.4513 13.4513 13.5342 13.5342 14.2296 14.2296 21.1455 21.1455 21.2938 21.2938 k = 0.5000 0.5000 0.1310 ( 1852 PWs) bands (ev): 7.2411 7.2411 7.6605 7.6605 8.3336 8.3336 8.4377 8.4377 9.1709 9.1709 9.7010 9.7010 9.8210 9.8210 10.1749 10.1749 10.5823 10.5823 10.6997 10.6997 10.7232 10.7232 10.7453 10.7453 10.8040 10.8040 11.2799 11.2799 11.2898 11.2898 11.3355 11.3355 11.8293 11.8293 11.8522 11.8522 11.8822 11.8822 11.9296 11.9296 13.3156 13.3156 13.4486 13.4486 13.5327 13.5327 14.2125 14.2125 20.9717 20.9717 21.0703 21.0703 k = 0.5000 0.5000 0.1429 ( 1844 PWs) bands (ev): 7.2380 7.2380 7.6480 7.6480 8.3270 8.3270 8.3883 8.3883 9.1643 9.1643 9.7008 9.7008 9.8864 9.8864 10.2350 10.2350 10.5862 10.5862 10.7266 10.7266 10.7435 10.7435 10.7504 10.7504 10.8196 10.8196 11.2599 11.2599 11.2745 11.2745 11.3199 11.3199 11.8470 11.8470 11.8757 11.8757 11.9079 11.9079 11.9472 11.9472 13.3080 13.3080 13.4456 13.4456 13.5309 13.5309 14.1936 14.1936 20.8004 20.8004 20.8461 20.8461 k = 0.5000 0.5000 0.1548 ( 1844 PWs) bands (ev): 7.2345 7.2345 7.6324 7.6324 8.3251 8.3251 8.3399 8.3399 9.1575 9.1575 9.6965 9.6965 9.9534 9.9534 10.2992 10.2992 10.5903 10.5903 10.7521 10.7521 10.7587 10.7587 10.7619 10.7619 10.8398 10.8398 11.2409 11.2409 11.2603 11.2603 11.3043 11.3043 11.8653 11.8653 11.8990 11.8990 11.9334 11.9334 11.9649 11.9649 13.2995 13.2995 13.4422 13.4422 13.5288 13.5288 14.1727 14.1727 20.6216 20.6216 20.6321 20.6321 k = 0.5000 0.5000 0.1667 ( 1844 PWs) bands (ev): 7.2308 7.2308 7.6139 7.6139 8.2927 8.2927 8.3277 8.3277 9.1509 9.1509 9.6892 9.6892 10.0215 10.0215 10.3661 10.3661 10.5945 10.5945 10.7604 10.7604 10.7781 10.7781 10.7862 10.7862 10.8651 10.8651 11.2229 11.2229 11.2475 11.2475 11.2891 11.2891 11.8844 11.8844 11.9222 11.9222 11.9587 11.9587 11.9825 11.9825 13.2900 13.2900 13.4382 13.4382 13.5262 13.5262 14.1498 14.1498 20.3975 20.3975 20.4672 20.4672 k = 0.5000 0.5000 0.1786 ( 1844 PWs) bands (ev): 7.2268 7.2268 7.5928 7.5928 8.2469 8.2469 8.3345 8.3345 9.1448 9.1448 9.6798 9.6798 10.0900 10.0900 10.4344 10.4344 10.5990 10.5990 10.7669 10.7669 10.7925 10.7925 10.8173 10.8173 10.8952 10.8952 11.2064 11.2064 11.2362 11.2362 11.2743 11.2743 11.9041 11.9041 11.9451 11.9451 11.9837 11.9837 12.0001 12.0001 13.2794 13.2794 13.4338 13.4338 13.5232 13.5232 14.1249 14.1249 20.1744 20.1744 20.3062 20.3062 k = 0.5000 0.5000 0.1905 ( 1836 PWs) bands (ev): 7.2225 7.2225 7.5695 7.5695 8.2025 8.2025 8.3449 8.3449 9.1395 9.1395 9.6689 9.6689 10.1585 10.1585 10.5029 10.5029 10.6040 10.6040 10.7742 10.7742 10.8062 10.8062 10.8495 10.8495 10.9294 10.9294 11.1916 11.1916 11.2270 11.2270 11.2601 11.2601 11.9243 11.9243 11.9678 11.9678 12.0084 12.0084 12.0176 12.0176 13.2676 13.2676 13.4288 13.4288 13.5196 13.5196 14.0979 14.0979 19.9529 19.9529 20.1493 20.1493 k = 0.5000 0.5000 0.2024 ( 1840 PWs) bands (ev): 7.2179 7.2179 7.5445 7.5445 8.1597 8.1597 8.3582 8.3582 9.1354 9.1354 9.6568 9.6568 10.2262 10.2262 10.5698 10.5698 10.6092 10.6092 10.7822 10.7822 10.8198 10.8198 10.8821 10.8821 10.9667 10.9667 11.1791 11.1791 11.2200 11.2200 11.2470 11.2470 11.9447 11.9447 11.9902 11.9902 12.0327 12.0327 12.0348 12.0348 13.2546 13.2546 13.4232 13.4232 13.5154 13.5154 14.0687 14.0687 19.7336 19.7336 19.9968 19.9968 k = 0.5000 0.5000 0.2143 ( 1836 PWs) bands (ev): 7.2131 7.2131 7.5182 7.5182 8.1184 8.1184 8.3737 8.3737 9.1328 9.1328 9.6440 9.6440 10.2924 10.2924 10.6116 10.6116 10.6366 10.6366 10.7916 10.7916 10.8346 10.8346 10.9146 10.9146 11.0071 11.0071 11.1700 11.1700 11.2153 11.2153 11.2359 11.2359 11.9654 11.9654 12.0122 12.0122 12.0518 12.0518 12.0566 12.0566 13.2403 13.2403 13.4170 13.4170 13.5106 13.5106 14.0372 14.0372 19.5171 19.5171 19.8491 19.8491 k = 0.5000 0.5000 0.2262 ( 1844 PWs) bands (ev): 7.2080 7.2080 7.4911 7.4911 8.0788 8.0788 8.3907 8.3907 9.1317 9.1317 9.6307 9.6307 10.3559 10.3559 10.6173 10.6173 10.6940 10.6940 10.8027 10.8027 10.8518 10.8518 10.9460 10.9460 11.0500 11.0500 11.1654 11.1654 11.2105 11.2105 11.2304 11.2304 11.9860 11.9860 12.0337 12.0337 12.0685 12.0685 12.0800 12.0800 13.2245 13.2245 13.4099 13.4099 13.5049 13.5049 14.0034 14.0034 19.3039 19.3039 19.7061 19.7061 k = 0.5000 0.5000 0.2381 ( 1844 PWs) bands (ev): 7.2026 7.2026 7.4635 7.4635 8.0410 8.0410 8.4084 8.4084 9.1328 9.1328 9.6171 9.6171 10.4157 10.4157 10.6222 10.6222 10.7427 10.7427 10.8164 10.8164 10.8730 10.8730 10.9750 10.9750 11.0952 11.0952 11.1680 11.1680 11.2028 11.2028 11.2353 11.2353 12.0067 12.0067 12.0547 12.0547 12.0848 12.0848 12.1028 12.1028 13.2072 13.2072 13.4021 13.4021 13.4984 13.4984 13.9673 13.9673 19.0944 19.0944 19.5682 19.5682 k = 0.5000 0.5000 0.2500 ( 1856 PWs) bands (ev): 7.1970 7.1970 7.4358 7.4358 8.0049 8.0049 8.4263 8.4263 9.1360 9.1360 9.6033 9.6033 10.4702 10.4702 10.6267 10.6267 10.7791 10.7791 10.8331 10.8331 10.8973 10.8973 11.0005 11.0005 11.1423 11.1423 11.1811 11.1811 11.1940 11.1940 11.2503 11.2503 12.0272 12.0272 12.0752 12.0752 12.1007 12.1007 12.1251 12.1251 13.1881 13.1881 13.3933 13.3933 13.4909 13.4909 13.9287 13.9287 18.8892 18.8892 19.4356 19.4356 k = 0.5000 0.5000 0.2619 ( 1856 PWs) bands (ev): 7.1912 7.1912 7.4083 7.4083 7.9706 7.9706 8.4438 8.4438 9.1416 9.1416 9.5896 9.5896 10.5178 10.5178 10.6312 10.6312 10.8044 10.8044 10.8535 10.8535 10.9204 10.9204 11.0220 11.0220 11.1864 11.1864 11.1905 11.1905 11.2087 11.2087 11.2751 11.2751 12.0475 12.0475 12.0951 12.0951 12.1162 12.1162 12.1467 12.1467 13.1674 13.1674 13.3837 13.3837 13.4823 13.4823 13.8878 13.8878 18.6887 18.6887 19.3082 19.3082 k = 0.5000 0.5000 0.2738 ( 1848 PWs) bands (ev): 7.1852 7.1852 7.3812 7.3812 7.9382 7.9382 8.4603 8.4603 9.1497 9.1497 9.5760 9.5760 10.5575 10.5575 10.6355 10.6355 10.8222 10.8222 10.8772 10.8772 10.9371 10.9371 11.0402 11.0402 11.1811 11.1811 11.2395 11.2395 11.2524 11.2524 11.3091 11.3091 12.0676 12.0676 12.1144 12.1144 12.1315 12.1315 12.1679 12.1679 13.1447 13.1447 13.3730 13.3730 13.4725 13.4725 13.8444 13.8444 18.4935 18.4935 19.1864 19.1864 k = 0.5000 0.5000 0.2857 ( 1848 PWs) bands (ev): 7.1790 7.1790 7.3547 7.3547 7.9076 7.9076 8.4756 8.4756 9.1604 9.1604 9.5626 9.5626 10.5888 10.5888 10.6396 10.6396 10.8358 10.8358 10.9023 10.9023 10.9463 10.9463 11.0564 11.0564 11.1799 11.1799 11.2933 11.2933 11.3055 11.3055 11.3512 11.3512 12.0872 12.0872 12.1328 12.1328 12.1463 12.1463 12.1882 12.1882 13.1199 13.1199 13.3613 13.3613 13.4614 13.4614 13.7986 13.7986 18.3039 18.3039 19.0701 19.0701 k = 0.5000 0.5000 0.2976 ( 1848 PWs) bands (ev): 7.1728 7.1728 7.3290 7.3290 7.8788 7.8788 8.4892 8.4892 9.1735 9.1735 9.5496 9.5496 10.6124 10.6124 10.6434 10.6434 10.8468 10.8468 10.9256 10.9256 10.9498 10.9498 11.0713 11.0713 11.1858 11.1858 11.3519 11.3519 11.3642 11.3642 11.4001 11.4001 12.1063 12.1063 12.1501 12.1501 12.1610 12.1610 12.2078 12.2078 13.0930 13.0930 13.3484 13.3484 13.4488 13.4488 13.7503 13.7503 18.1204 18.1204 18.9594 18.9594 k = 0.5000 0.5000 0.3095 ( 1840 PWs) bands (ev): 7.1664 7.1664 7.3042 7.3042 7.8520 7.8520 8.5010 8.5010 9.1889 9.1889 9.5370 9.5370 10.6296 10.6296 10.6470 10.6470 10.8562 10.8562 10.9441 10.9441 10.9498 10.9498 11.0835 11.0835 11.2032 11.2032 11.4115 11.4115 11.4289 11.4289 11.4545 11.4545 12.1249 12.1249 12.1662 12.1662 12.1761 12.1761 12.2267 12.2267 13.0638 13.0638 13.3343 13.3343 13.4346 13.4346 13.6997 13.6997 17.9436 17.9436 18.8545 18.8545 k = 0.5000 0.5000 0.3214 ( 1840 PWs) bands (ev): 7.1600 7.1600 7.2805 7.2805 7.8269 7.8269 8.5111 8.5111 9.2063 9.2063 9.5248 9.5248 10.6418 10.6418 10.6502 10.6502 10.8643 10.8643 10.9479 10.9479 10.9565 10.9565 11.0910 11.0910 11.2347 11.2347 11.4717 11.4717 11.4978 11.4978 11.5132 11.5132 12.1428 12.1428 12.1803 12.1803 12.1915 12.1915 12.2448 12.2448 13.0322 13.0322 13.3190 13.3190 13.4186 13.4186 13.6466 13.6466 17.7738 17.7738 18.7553 18.7553 k = 0.5000 0.5000 0.3333 ( 1836 PWs) bands (ev): 7.1536 7.1536 7.2580 7.2580 7.8038 7.8038 8.5194 8.5194 9.2253 9.2253 9.5132 9.5132 10.6505 10.6505 10.6530 10.6530 10.8712 10.8712 10.9453 10.9453 10.9637 10.9637 11.0943 11.0943 11.2786 11.2786 11.5331 11.5331 11.5687 11.5687 11.5753 11.5753 12.1601 12.1601 12.1929 12.1929 12.2072 12.2072 12.2621 12.2621 12.9981 12.9981 13.3023 13.3023 13.4007 13.4007 13.5914 13.5914 17.6116 17.6116 18.6619 18.6619 k = 0.5000 0.5000 0.3452 ( 1844 PWs) bands (ev): 7.1473 7.1473 7.2367 7.2367 7.7824 7.7824 8.5259 8.5259 9.2454 9.2454 9.5021 9.5021 10.6555 10.6555 10.6563 10.6563 10.8770 10.8770 10.9425 10.9425 10.9671 10.9671 11.0950 11.0950 11.3309 11.3309 11.5955 11.5955 11.6399 11.6399 11.6400 11.6400 12.1766 12.1766 12.2044 12.2044 12.2228 12.2228 12.2785 12.2785 12.9613 12.9613 13.2842 13.2842 13.3807 13.3807 13.5339 13.5339 17.4574 17.4574 18.5742 18.5742 k = 0.5000 0.5000 0.3571 ( 1844 PWs) bands (ev): 7.1411 7.1411 7.2167 7.2167 7.7628 7.7628 8.5311 8.5311 9.2663 9.2663 9.4917 9.4917 10.6576 10.6576 10.6603 10.6603 10.8816 10.8816 10.9404 10.9404 10.9682 10.9682 11.0946 11.0946 11.3889 11.3889 11.6590 11.6590 11.7063 11.7063 11.7110 11.7110 12.1925 12.1925 12.2150 12.2150 12.2382 12.2382 12.2941 12.2941 12.9219 12.9219 13.2648 13.2648 13.3586 13.3586 13.4744 13.4744 17.3119 17.3119 18.4924 18.4924 k = 0.5000 0.5000 0.3690 ( 1844 PWs) bands (ev): 7.1350 7.1350 7.1982 7.1982 7.7450 7.7450 8.5349 8.5349 9.2875 9.2875 9.4820 9.4820 10.6593 10.6593 10.6629 10.6629 10.8851 10.8851 10.9391 10.9391 10.9677 10.9677 11.0940 11.0940 11.4508 11.4508 11.7233 11.7233 11.7733 11.7733 11.7808 11.7808 12.2077 12.2077 12.2247 12.2247 12.2535 12.2535 12.3090 12.3090 12.8796 12.8796 13.2440 13.2440 13.3343 13.3343 13.4131 13.4131 17.1756 17.1756 18.4164 18.4164 k = 0.5000 0.5000 0.3810 ( 1852 PWs) bands (ev): 7.1292 7.1292 7.1811 7.1811 7.7289 7.7289 8.5376 8.5376 9.3084 9.3084 9.4730 9.4730 10.6606 10.6606 10.6644 10.6644 10.8874 10.8874 10.9385 10.9385 10.9661 10.9661 11.0932 11.0932 11.5154 11.5154 11.7880 11.7880 11.8401 11.8401 11.8490 11.8490 12.2224 12.2224 12.2335 12.2335 12.2689 12.2689 12.3232 12.3232 12.8346 12.8346 13.2220 13.2220 13.3077 13.3077 13.3502 13.3502 17.0489 17.0489 18.3463 18.3463 k = 0.5000 0.5000 0.3929 ( 1860 PWs) bands (ev): 7.1237 7.1237 7.1655 7.1655 7.7145 7.7145 8.5395 8.5395 9.3286 9.3286 9.4647 9.4647 10.6614 10.6614 10.6652 10.6652 10.8887 10.8887 10.9388 10.9388 10.9640 10.9640 11.0925 11.0925 11.5820 11.5820 11.8525 11.8525 11.9055 11.9055 11.9151 11.9151 12.2365 12.2365 12.2415 12.2415 12.2848 12.2848 12.3368 12.3368 12.7867 12.7867 13.1988 13.1988 13.2789 13.2789 13.2860 13.2860 16.9324 16.9324 18.2821 18.2821 k = 0.5000 0.5000 0.4048 ( 1864 PWs) bands (ev): 7.1187 7.1187 7.1514 7.1514 7.7017 7.7017 8.5407 8.5407 9.3478 9.3478 9.4573 9.4573 10.6622 10.6622 10.6655 10.6655 10.8892 10.8892 10.9399 10.9399 10.9616 10.9616 11.0921 11.0921 11.6503 11.6503 11.9158 11.9158 11.9682 11.9682 11.9785 11.9785 12.2486 12.2486 12.2502 12.2502 12.3018 12.3018 12.3500 12.3500 12.7361 12.7361 13.1742 13.1742 13.2212 13.2212 13.2480 13.2480 16.8266 16.8266 18.2239 18.2239 k = 0.5000 0.5000 0.4167 ( 1864 PWs) bands (ev): 7.1140 7.1140 7.1389 7.1389 7.6906 7.6906 8.5413 8.5413 9.3655 9.3655 9.4507 9.4507 10.6628 10.6628 10.6654 10.6654 10.8892 10.8892 10.9414 10.9414 10.9593 10.9593 11.0918 11.0918 11.7198 11.7198 11.9765 11.9765 12.0263 12.0263 12.0394 12.0394 12.2548 12.2548 12.2638 12.2638 12.3207 12.3207 12.3632 12.3632 12.6829 12.6829 13.1433 13.1433 13.1615 13.1615 13.2154 13.2154 16.7320 16.7320 18.1719 18.1719 k = 0.5000 0.5000 0.4286 ( 1864 PWs) bands (ev): 7.1099 7.1099 7.1281 7.1281 7.6810 7.6810 8.5416 8.5416 9.3815 9.3815 9.4449 9.4449 10.6632 10.6632 10.6652 10.6652 10.8890 10.8890 10.9432 10.9432 10.9570 10.9570 11.0917 11.0917 11.7902 11.7902 12.0321 12.0321 12.0778 12.0778 12.0981 12.0981 12.2600 12.2600 12.2772 12.2772 12.3424 12.3424 12.3768 12.3768 12.6274 12.6274 13.0847 13.0847 13.1296 13.1296 13.1816 13.1816 16.6490 16.6490 18.1262 18.1262 k = 0.5000 0.5000 0.4405 ( 1864 PWs) bands (ev): 7.1063 7.1063 7.1188 7.1188 7.6730 7.6730 8.5417 8.5417 9.3954 9.3954 9.4399 9.4399 10.6634 10.6634 10.6649 10.6649 10.8886 10.8886 10.9449 10.9449 10.9549 10.9549 11.0917 11.0917 11.8611 11.8611 12.0797 12.0797 12.1208 12.1208 12.1550 12.1550 12.2641 12.2641 12.2904 12.2904 12.3673 12.3673 12.3917 12.3917 12.5700 12.5700 13.0198 13.0198 13.1052 13.1052 13.1475 13.1475 16.5781 16.5781 18.0870 18.0870 k = 0.5000 0.5000 0.4524 ( 1864 PWs) bands (ev): 7.1032 7.1032 7.1113 7.1113 7.6665 7.6665 8.5416 8.5416 9.4071 9.4071 9.4359 9.4359 10.6635 10.6635 10.6645 10.6645 10.8881 10.8881 10.9465 10.9465 10.9531 10.9531 11.0918 11.0918 11.9321 11.9321 12.1173 12.1173 12.1541 12.1541 12.2094 12.2094 12.2669 12.2669 12.3029 12.3029 12.3942 12.3942 12.4089 12.4089 12.5120 12.5120 12.9561 12.9561 13.0832 13.0832 13.1143 13.1143 16.5195 16.5195 18.0546 18.0546 k = 0.5000 0.5000 0.4643 ( 1856 PWs) bands (ev): 7.1009 7.1009 7.1054 7.1054 7.6615 7.6615 8.5415 8.5415 9.4164 9.4164 9.4327 9.4327 10.6637 10.6637 10.6642 10.6642 10.8878 10.8878 10.9479 10.9479 10.9517 10.9517 11.0919 11.0919 12.0025 12.0025 12.1448 12.1448 12.1780 12.1780 12.2582 12.2582 12.2676 12.2676 12.3137 12.3137 12.4145 12.4145 12.4291 12.4291 12.4610 12.4610 12.8962 12.8962 13.0641 13.0641 13.0839 13.0839 16.4737 16.4737 18.0291 18.0291 k = 0.5000 0.5000 0.4762 ( 1856 PWs) bands (ev): 7.0991 7.0991 7.1011 7.1011 7.6579 7.6579 8.5413 8.5413 9.4232 9.4232 9.4304 9.4304 10.6637 10.6637 10.6639 10.6639 10.8875 10.8875 10.9489 10.9489 10.9506 10.9506 11.0920 11.0920 12.0713 12.0713 12.1629 12.1629 12.1935 12.1935 12.2641 12.2641 12.2969 12.2969 12.3220 12.3220 12.3848 12.3848 12.4515 12.4515 12.4594 12.4594 12.8438 12.8438 13.0491 13.0491 13.0589 13.0589 16.4408 16.4408 18.0107 18.0107 k = 0.5000 0.5000 0.4881 ( 1856 PWs) bands (ev): 7.0981 7.0981 7.0986 7.0986 7.6557 7.6557 8.5412 8.5412 9.4272 9.4272 9.4291 9.4291 10.6637 10.6637 10.6638 10.6638 10.8873 10.8873 10.9495 10.9495 10.9499 10.9499 11.0921 11.0921 12.1356 12.1356 12.1731 12.1731 12.2022 12.2022 12.2491 12.2491 12.3211 12.3211 12.3273 12.3273 12.3432 12.3432 12.4717 12.4717 12.4744 12.4744 12.8056 12.8056 13.0395 13.0395 13.0421 13.0421 16.4210 16.4210 17.9996 17.9996 k = 0.5000 0.5000 0.5000 ( 1856 PWs) bands (ev): 7.0977 7.0977 7.0977 7.0977 7.6550 7.6550 8.5412 8.5412 9.4286 9.4286 9.4286 9.4286 10.6637 10.6637 10.6637 10.6637 10.8873 10.8873 10.9497 10.9497 10.9497 10.9497 11.0921 11.0921 12.1764 12.1764 12.1764 12.1764 12.2047 12.2047 12.2262 12.2262 12.3276 12.3276 12.3276 12.3276 12.3308 12.3308 12.4803 12.4803 12.4803 12.4803 12.7911 12.7911 13.0362 13.0362 13.0362 13.0362 16.4144 16.4144 17.9959 17.9959 Writing output data file Cu3Au.save init_run : 0.20s CPU 0.32s WALL ( 1 calls) electrons : 92.21s CPU 94.14s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 92.20s CPU 94.13s 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 : 0.05s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.03s WALL ( 325 calls) cegterg : 83.38s CPU 84.83s WALL ( 372 calls) Called by sum_band: Called by *egterg: h_psi : 33.60s CPU 34.61s WALL ( 6301 calls) s_psi : 3.82s CPU 3.91s WALL ( 6301 calls) g_psi : 0.10s CPU 0.09s WALL ( 5604 calls) cdiaghg : 43.68s CPU 44.12s WALL ( 5929 calls) cegterg:over : 3.18s CPU 3.17s WALL ( 5604 calls) cegterg:upda : 1.84s CPU 1.97s WALL ( 5604 calls) cegterg:last : 1.25s CPU 1.28s WALL ( 1022 calls) cdiaghg:chol : 2.45s CPU 2.34s WALL ( 5929 calls) cdiaghg:inve : 1.57s CPU 1.65s WALL ( 5929 calls) cdiaghg:para : 2.55s CPU 2.60s WALL ( 11858 calls) Called by h_psi: h_psi:vloc : 25.79s CPU 26.61s WALL ( 6301 calls) h_psi:vnl : 7.75s CPU 7.92s WALL ( 6301 calls) add_vuspsi : 4.24s CPU 4.42s WALL ( 6301 calls) General routines calbec : 3.49s CPU 3.48s WALL ( 6301 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 23.48s CPU 24.10s WALL ( 722984 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.12s WALL ( 650 calls) Parallel routines fft_scatter : 14.78s CPU 15.28s WALL ( 723007 calls) PWSCF : 1m43.56s CPU 1m57.22s WALL This run was terminated on: 13:32: 8 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=