Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:13:40 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Fe3Pt.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 47 20 6 1471 400 68 Max 49 21 7 1474 421 71 Sum 1709 725 221 52971 14771 2517 bravais-lattice index = 14 lattice parameter (alat) = 7.0487 a.u. unit-cell volume = 350.2055 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.048678 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 Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Pt 10.00 195.08400 Pt( 1.00) 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= 328 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0000000 0.0116279 -0.0000000), wk = 0.0030488 k( 3) = ( 0.0000000 0.0232558 -0.0000000), wk = 0.0030488 k( 4) = ( 0.0000000 0.0348837 -0.0000000), wk = 0.0030488 k( 5) = ( 0.0000000 0.0465116 -0.0000000), wk = 0.0030488 k( 6) = ( 0.0000000 0.0581395 -0.0000000), wk = 0.0030488 k( 7) = ( 0.0000000 0.0697674 -0.0000000), wk = 0.0030488 k( 8) = ( 0.0000000 0.0813954 -0.0000000), wk = 0.0030488 k( 9) = ( 0.0000000 0.0930233 -0.0000000), wk = 0.0030488 k( 10) = ( 0.0000000 0.1046512 -0.0000000), wk = 0.0030488 k( 11) = ( 0.0000000 0.1162791 -0.0000000), wk = 0.0030488 k( 12) = ( 0.0000000 0.1279070 -0.0000000), wk = 0.0030488 k( 13) = ( 0.0000000 0.1395349 -0.0000000), wk = 0.0030488 k( 14) = ( 0.0000000 0.1511628 -0.0000000), wk = 0.0030488 k( 15) = ( 0.0000000 0.1627907 -0.0000000), wk = 0.0030488 k( 16) = ( 0.0000000 0.1744186 -0.0000000), wk = 0.0030488 k( 17) = ( 0.0000000 0.1860465 -0.0000000), wk = 0.0030488 k( 18) = ( 0.0000000 0.1976744 -0.0000000), wk = 0.0030488 k( 19) = ( 0.0000000 0.2093023 -0.0000000), wk = 0.0030488 k( 20) = ( 0.0000000 0.2209302 -0.0000000), wk = 0.0030488 k( 21) = ( 0.0000000 0.2325581 -0.0000000), wk = 0.0030488 k( 22) = ( 0.0000000 0.2441860 -0.0000000), wk = 0.0030488 k( 23) = ( 0.0000000 0.2558140 -0.0000000), wk = 0.0030488 k( 24) = ( 0.0000000 0.2674419 -0.0000000), wk = 0.0030488 k( 25) = ( 0.0000000 0.2790698 -0.0000000), wk = 0.0030488 k( 26) = ( 0.0000000 0.2906977 -0.0000000), wk = 0.0030488 k( 27) = ( 0.0000000 0.3023256 -0.0000000), wk = 0.0030488 k( 28) = ( 0.0000000 0.3139535 -0.0000000), wk = 0.0030488 k( 29) = ( 0.0000000 0.3255814 -0.0000000), wk = 0.0030488 k( 30) = ( 0.0000000 0.3372093 -0.0000000), wk = 0.0030488 k( 31) = ( 0.0000000 0.3488372 -0.0000000), wk = 0.0030488 k( 32) = ( 0.0000000 0.3604651 -0.0000000), wk = 0.0030488 k( 33) = ( 0.0000000 0.3720930 -0.0000000), wk = 0.0030488 k( 34) = ( 0.0000000 0.3837209 -0.0000000), wk = 0.0030488 k( 35) = ( 0.0000000 0.3953488 -0.0000000), wk = 0.0030488 k( 36) = ( 0.0000000 0.4069767 -0.0000000), wk = 0.0030488 k( 37) = ( 0.0000000 0.4186047 -0.0000000), wk = 0.0030488 k( 38) = ( 0.0000000 0.4302326 -0.0000000), wk = 0.0030488 k( 39) = ( 0.0000000 0.4418605 -0.0000000), wk = 0.0030488 k( 40) = ( 0.0000000 0.4534884 -0.0000000), wk = 0.0030488 k( 41) = ( 0.0000000 0.4651163 -0.0000000), wk = 0.0030488 k( 42) = ( 0.0000000 0.4767442 -0.0000000), wk = 0.0030488 k( 43) = ( 0.0000000 0.4883721 -0.0000000), wk = 0.0030488 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030488 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030488 k( 46) = ( 0.0116279 0.5000000 -0.0000000), wk = 0.0030488 k( 47) = ( 0.0232558 0.5000000 -0.0000000), wk = 0.0030488 k( 48) = ( 0.0348837 0.5000000 -0.0000000), wk = 0.0030488 k( 49) = ( 0.0465116 0.5000000 -0.0000000), wk = 0.0030488 k( 50) = ( 0.0581395 0.5000000 -0.0000000), wk = 0.0030488 k( 51) = ( 0.0697674 0.5000000 -0.0000000), wk = 0.0030488 k( 52) = ( 0.0813954 0.5000000 -0.0000000), wk = 0.0030488 k( 53) = ( 0.0930233 0.5000000 -0.0000000), wk = 0.0030488 k( 54) = ( 0.1046512 0.5000000 -0.0000000), wk = 0.0030488 k( 55) = ( 0.1162791 0.5000000 -0.0000000), wk = 0.0030488 k( 56) = ( 0.1279070 0.5000000 -0.0000000), wk = 0.0030488 k( 57) = ( 0.1395349 0.5000000 -0.0000000), wk = 0.0030488 k( 58) = ( 0.1511628 0.5000000 -0.0000000), wk = 0.0030488 k( 59) = ( 0.1627907 0.5000000 -0.0000000), wk = 0.0030488 k( 60) = ( 0.1744186 0.5000000 -0.0000000), wk = 0.0030488 k( 61) = ( 0.1860465 0.5000000 -0.0000000), wk = 0.0030488 k( 62) = ( 0.1976744 0.5000000 -0.0000000), wk = 0.0030488 k( 63) = ( 0.2093023 0.5000000 -0.0000000), wk = 0.0030488 k( 64) = ( 0.2209302 0.5000000 -0.0000000), wk = 0.0030488 k( 65) = ( 0.2325581 0.5000000 -0.0000000), wk = 0.0030488 k( 66) = ( 0.2441860 0.5000000 -0.0000000), wk = 0.0030488 k( 67) = ( 0.2558140 0.5000000 -0.0000000), wk = 0.0030488 k( 68) = ( 0.2674419 0.5000000 -0.0000000), wk = 0.0030488 k( 69) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0030488 k( 70) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0030488 k( 71) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0030488 k( 72) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0030488 k( 73) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0030488 k( 74) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0030488 k( 75) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0030488 k( 76) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0030488 k( 77) = ( 0.3720930 0.5000000 -0.0000000), wk = 0.0030488 k( 78) = ( 0.3837209 0.5000000 -0.0000000), wk = 0.0030488 k( 79) = ( 0.3953488 0.5000000 -0.0000000), wk = 0.0030488 k( 80) = ( 0.4069767 0.5000000 -0.0000000), wk = 0.0030488 k( 81) = ( 0.4186047 0.5000000 -0.0000000), wk = 0.0030488 k( 82) = ( 0.4302326 0.5000000 -0.0000000), wk = 0.0030488 k( 83) = ( 0.4418605 0.5000000 -0.0000000), wk = 0.0030488 k( 84) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0030488 k( 85) = ( 0.4651163 0.5000000 -0.0000000), wk = 0.0030488 k( 86) = ( 0.4767442 0.5000000 -0.0000000), wk = 0.0030488 k( 87) = ( 0.4883721 0.5000000 -0.0000000), wk = 0.0030488 k( 88) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030488 k( 89) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030488 k( 90) = ( 0.4916667 0.4916667 -0.0000000), wk = 0.0030488 k( 91) = ( 0.4833333 0.4833333 -0.0000000), wk = 0.0030488 k( 92) = ( 0.4750000 0.4750000 -0.0000000), wk = 0.0030488 k( 93) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0030488 k( 94) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0030488 k( 95) = ( 0.4500000 0.4500000 -0.0000000), wk = 0.0030488 k( 96) = ( 0.4416667 0.4416667 -0.0000000), wk = 0.0030488 k( 97) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0030488 k( 98) = ( 0.4250000 0.4250000 -0.0000000), wk = 0.0030488 k( 99) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0030488 k( 100) = ( 0.4083333 0.4083333 -0.0000000), wk = 0.0030488 k( 101) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0030488 k( 102) = ( 0.3916667 0.3916667 -0.0000000), wk = 0.0030488 k( 103) = ( 0.3833333 0.3833333 -0.0000000), wk = 0.0030488 k( 104) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0030488 k( 105) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0030488 k( 106) = ( 0.3583333 0.3583333 -0.0000000), wk = 0.0030488 k( 107) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0030488 k( 108) = ( 0.3416667 0.3416667 -0.0000000), wk = 0.0030488 k( 109) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0030488 k( 110) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0030488 k( 111) = ( 0.3166667 0.3166667 -0.0000000), wk = 0.0030488 k( 112) = ( 0.3083333 0.3083333 -0.0000000), wk = 0.0030488 k( 113) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0030488 k( 114) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0030488 k( 115) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0030488 k( 116) = ( 0.2750000 0.2750000 -0.0000000), wk = 0.0030488 k( 117) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0030488 k( 118) = ( 0.2583333 0.2583333 -0.0000000), wk = 0.0030488 k( 119) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0030488 k( 120) = ( 0.2416667 0.2416667 -0.0000000), wk = 0.0030488 k( 121) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0030488 k( 122) = ( 0.2250000 0.2250000 -0.0000000), wk = 0.0030488 k( 123) = ( 0.2166667 0.2166667 -0.0000000), wk = 0.0030488 k( 124) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0030488 k( 125) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0030488 k( 126) = ( 0.1916667 0.1916667 -0.0000000), wk = 0.0030488 k( 127) = ( 0.1833333 0.1833333 -0.0000000), wk = 0.0030488 k( 128) = ( 0.1750000 0.1750000 -0.0000000), wk = 0.0030488 k( 129) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0030488 k( 130) = ( 0.1583333 0.1583333 -0.0000000), wk = 0.0030488 k( 131) = ( 0.1500000 0.1500000 -0.0000000), wk = 0.0030488 k( 132) = ( 0.1416667 0.1416667 -0.0000000), wk = 0.0030488 k( 133) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0030488 k( 134) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0030488 k( 135) = ( 0.1166667 0.1166667 -0.0000000), wk = 0.0030488 k( 136) = ( 0.1083333 0.1083333 -0.0000000), wk = 0.0030488 k( 137) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0030488 k( 138) = ( 0.0916667 0.0916667 -0.0000000), wk = 0.0030488 k( 139) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0030488 k( 140) = ( 0.0750000 0.0750000 -0.0000000), wk = 0.0030488 k( 141) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0030488 k( 142) = ( 0.0583333 0.0583333 -0.0000000), wk = 0.0030488 k( 143) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0030488 k( 144) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0030488 k( 145) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0030488 k( 146) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0030488 k( 147) = ( 0.0166667 0.0166667 -0.0000000), wk = 0.0030488 k( 148) = ( 0.0083333 0.0083333 -0.0000000), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 151) = ( 0.0068493 0.0068493 0.0068493), wk = 0.0030488 k( 152) = ( 0.0136986 0.0136986 0.0136986), wk = 0.0030488 k( 153) = ( 0.0205479 0.0205479 0.0205479), wk = 0.0030488 k( 154) = ( 0.0273973 0.0273973 0.0273973), wk = 0.0030488 k( 155) = ( 0.0342466 0.0342466 0.0342466), wk = 0.0030488 k( 156) = ( 0.0410959 0.0410959 0.0410959), wk = 0.0030488 k( 157) = ( 0.0479452 0.0479452 0.0479452), wk = 0.0030488 k( 158) = ( 0.0547945 0.0547945 0.0547945), wk = 0.0030488 k( 159) = ( 0.0616438 0.0616438 0.0616438), wk = 0.0030488 k( 160) = ( 0.0684932 0.0684932 0.0684931), wk = 0.0030488 k( 161) = ( 0.0753425 0.0753425 0.0753425), wk = 0.0030488 k( 162) = ( 0.0821918 0.0821918 0.0821918), wk = 0.0030488 k( 163) = ( 0.0890411 0.0890411 0.0890411), wk = 0.0030488 k( 164) = ( 0.0958904 0.0958904 0.0958904), wk = 0.0030488 k( 165) = ( 0.1027397 0.1027397 0.1027397), wk = 0.0030488 k( 166) = ( 0.1095890 0.1095890 0.1095890), wk = 0.0030488 k( 167) = ( 0.1164384 0.1164384 0.1164384), wk = 0.0030488 k( 168) = ( 0.1232877 0.1232877 0.1232877), wk = 0.0030488 k( 169) = ( 0.1301370 0.1301370 0.1301370), wk = 0.0030488 k( 170) = ( 0.1369863 0.1369863 0.1369863), wk = 0.0030488 k( 171) = ( 0.1438356 0.1438356 0.1438356), wk = 0.0030488 k( 172) = ( 0.1506849 0.1506849 0.1506849), wk = 0.0030488 k( 173) = ( 0.1575342 0.1575342 0.1575342), wk = 0.0030488 k( 174) = ( 0.1643836 0.1643836 0.1643836), wk = 0.0030488 k( 175) = ( 0.1712329 0.1712329 0.1712329), wk = 0.0030488 k( 176) = ( 0.1780822 0.1780822 0.1780822), wk = 0.0030488 k( 177) = ( 0.1849315 0.1849315 0.1849315), wk = 0.0030488 k( 178) = ( 0.1917808 0.1917808 0.1917808), wk = 0.0030488 k( 179) = ( 0.1986301 0.1986301 0.1986301), wk = 0.0030488 k( 180) = ( 0.2054795 0.2054794 0.2054794), wk = 0.0030488 k( 181) = ( 0.2123288 0.2123288 0.2123288), wk = 0.0030488 k( 182) = ( 0.2191781 0.2191781 0.2191781), wk = 0.0030488 k( 183) = ( 0.2260274 0.2260274 0.2260274), wk = 0.0030488 k( 184) = ( 0.2328767 0.2328767 0.2328767), wk = 0.0030488 k( 185) = ( 0.2397260 0.2397260 0.2397260), wk = 0.0030488 k( 186) = ( 0.2465753 0.2465753 0.2465753), wk = 0.0030488 k( 187) = ( 0.2534247 0.2534247 0.2534247), wk = 0.0030488 k( 188) = ( 0.2602740 0.2602740 0.2602740), wk = 0.0030488 k( 189) = ( 0.2671233 0.2671233 0.2671233), wk = 0.0030488 k( 190) = ( 0.2739726 0.2739726 0.2739726), wk = 0.0030488 k( 191) = ( 0.2808219 0.2808219 0.2808219), wk = 0.0030488 k( 192) = ( 0.2876712 0.2876712 0.2876712), wk = 0.0030488 k( 193) = ( 0.2945205 0.2945205 0.2945205), wk = 0.0030488 k( 194) = ( 0.3013699 0.3013699 0.3013699), wk = 0.0030488 k( 195) = ( 0.3082192 0.3082192 0.3082192), wk = 0.0030488 k( 196) = ( 0.3150685 0.3150685 0.3150685), wk = 0.0030488 k( 197) = ( 0.3219178 0.3219178 0.3219178), wk = 0.0030488 k( 198) = ( 0.3287671 0.3287671 0.3287671), wk = 0.0030488 k( 199) = ( 0.3356164 0.3356164 0.3356164), wk = 0.0030488 k( 200) = ( 0.3424658 0.3424657 0.3424657), wk = 0.0030488 k( 201) = ( 0.3493151 0.3493151 0.3493151), wk = 0.0030488 k( 202) = ( 0.3561644 0.3561644 0.3561644), wk = 0.0030488 k( 203) = ( 0.3630137 0.3630137 0.3630137), wk = 0.0030488 k( 204) = ( 0.3698630 0.3698630 0.3698630), wk = 0.0030488 k( 205) = ( 0.3767123 0.3767123 0.3767123), wk = 0.0030488 k( 206) = ( 0.3835616 0.3835616 0.3835616), wk = 0.0030488 k( 207) = ( 0.3904110 0.3904110 0.3904110), wk = 0.0030488 k( 208) = ( 0.3972603 0.3972603 0.3972603), wk = 0.0030488 k( 209) = ( 0.4041096 0.4041096 0.4041096), wk = 0.0030488 k( 210) = ( 0.4109589 0.4109589 0.4109589), wk = 0.0030488 k( 211) = ( 0.4178082 0.4178082 0.4178082), wk = 0.0030488 k( 212) = ( 0.4246575 0.4246575 0.4246575), wk = 0.0030488 k( 213) = ( 0.4315068 0.4315068 0.4315068), wk = 0.0030488 k( 214) = ( 0.4383562 0.4383562 0.4383562), wk = 0.0030488 k( 215) = ( 0.4452055 0.4452055 0.4452055), wk = 0.0030488 k( 216) = ( 0.4520548 0.4520548 0.4520548), wk = 0.0030488 k( 217) = ( 0.4589041 0.4589041 0.4589041), wk = 0.0030488 k( 218) = ( 0.4657534 0.4657534 0.4657534), wk = 0.0030488 k( 219) = ( 0.4726027 0.4726027 0.4726027), wk = 0.0030488 k( 220) = ( 0.4794521 0.4794520 0.4794520), wk = 0.0030488 k( 221) = ( 0.4863014 0.4863014 0.4863014), wk = 0.0030488 k( 222) = ( 0.4931507 0.4931507 0.4931507), wk = 0.0030488 k( 223) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 224) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 225) = ( 0.4916667 0.5000000 0.4916667), wk = 0.0030488 k( 226) = ( 0.4833333 0.5000000 0.4833333), wk = 0.0030488 k( 227) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0030488 k( 228) = ( 0.4666667 0.5000000 0.4666667), wk = 0.0030488 k( 229) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0030488 k( 230) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0030488 k( 231) = ( 0.4416667 0.5000000 0.4416667), wk = 0.0030488 k( 232) = ( 0.4333333 0.5000000 0.4333333), wk = 0.0030488 k( 233) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0030488 k( 234) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0030488 k( 235) = ( 0.4083333 0.5000000 0.4083333), wk = 0.0030488 k( 236) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0030488 k( 237) = ( 0.3916667 0.5000000 0.3916667), wk = 0.0030488 k( 238) = ( 0.3833333 0.5000000 0.3833333), wk = 0.0030488 k( 239) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0030488 k( 240) = ( 0.3666667 0.5000000 0.3666667), wk = 0.0030488 k( 241) = ( 0.3583333 0.5000000 0.3583333), wk = 0.0030488 k( 242) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0030488 k( 243) = ( 0.3416667 0.5000000 0.3416667), wk = 0.0030488 k( 244) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0030488 k( 245) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0030488 k( 246) = ( 0.3166667 0.5000000 0.3166667), wk = 0.0030488 k( 247) = ( 0.3083333 0.5000000 0.3083333), wk = 0.0030488 k( 248) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0030488 k( 249) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0030488 k( 250) = ( 0.2833333 0.5000000 0.2833333), wk = 0.0030488 k( 251) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0030488 k( 252) = ( 0.2666667 0.5000000 0.2666667), wk = 0.0030488 k( 253) = ( 0.2583333 0.5000000 0.2583333), wk = 0.0030488 k( 254) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0030488 k( 255) = ( 0.2416667 0.5000000 0.2416667), wk = 0.0030488 k( 256) = ( 0.2333333 0.5000000 0.2333333), wk = 0.0030488 k( 257) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0030488 k( 258) = ( 0.2166667 0.5000000 0.2166667), wk = 0.0030488 k( 259) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0030488 k( 260) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0030488 k( 261) = ( 0.1916667 0.5000000 0.1916667), wk = 0.0030488 k( 262) = ( 0.1833333 0.5000000 0.1833333), wk = 0.0030488 k( 263) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0030488 k( 264) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0030488 k( 265) = ( 0.1583333 0.5000000 0.1583333), wk = 0.0030488 k( 266) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0030488 k( 267) = ( 0.1416667 0.5000000 0.1416667), wk = 0.0030488 k( 268) = ( 0.1333333 0.5000000 0.1333333), wk = 0.0030488 k( 269) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0030488 k( 270) = ( 0.1166667 0.5000000 0.1166667), wk = 0.0030488 k( 271) = ( 0.1083333 0.5000000 0.1083333), wk = 0.0030488 k( 272) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0030488 k( 273) = ( 0.0916667 0.5000000 0.0916667), wk = 0.0030488 k( 274) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0030488 k( 275) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0030488 k( 276) = ( 0.0666667 0.5000000 0.0666667), wk = 0.0030488 k( 277) = ( 0.0583333 0.5000000 0.0583333), wk = 0.0030488 k( 278) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0030488 k( 279) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0030488 k( 280) = ( 0.0333333 0.5000000 0.0333333), wk = 0.0030488 k( 281) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0030488 k( 282) = ( 0.0166667 0.5000000 0.0166667), wk = 0.0030488 k( 283) = ( 0.0083333 0.5000000 0.0083333), wk = 0.0030488 k( 284) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030488 k( 285) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030488 k( 286) = ( 0.5000000 0.5000000 0.0116279), wk = 0.0030488 k( 287) = ( 0.5000000 0.5000000 0.0232558), wk = 0.0030488 k( 288) = ( 0.5000000 0.5000000 0.0348837), wk = 0.0030488 k( 289) = ( 0.5000000 0.5000000 0.0465116), wk = 0.0030488 k( 290) = ( 0.5000000 0.5000000 0.0581395), wk = 0.0030488 k( 291) = ( 0.5000000 0.5000000 0.0697674), wk = 0.0030488 k( 292) = ( 0.5000000 0.5000000 0.0813953), wk = 0.0030488 k( 293) = ( 0.5000000 0.5000000 0.0930233), wk = 0.0030488 k( 294) = ( 0.5000000 0.5000000 0.1046512), wk = 0.0030488 k( 295) = ( 0.5000000 0.5000000 0.1162791), wk = 0.0030488 k( 296) = ( 0.5000000 0.5000000 0.1279070), wk = 0.0030488 k( 297) = ( 0.5000000 0.5000000 0.1395349), wk = 0.0030488 k( 298) = ( 0.5000000 0.5000000 0.1511628), wk = 0.0030488 k( 299) = ( 0.5000000 0.5000000 0.1627907), wk = 0.0030488 k( 300) = ( 0.5000000 0.5000000 0.1744186), wk = 0.0030488 k( 301) = ( 0.5000000 0.5000000 0.1860465), wk = 0.0030488 k( 302) = ( 0.5000000 0.5000000 0.1976744), wk = 0.0030488 k( 303) = ( 0.5000000 0.5000000 0.2093023), wk = 0.0030488 k( 304) = ( 0.5000000 0.5000000 0.2209302), wk = 0.0030488 k( 305) = ( 0.5000000 0.5000000 0.2325581), wk = 0.0030488 k( 306) = ( 0.5000000 0.5000000 0.2441860), wk = 0.0030488 k( 307) = ( 0.5000000 0.5000000 0.2558139), wk = 0.0030488 k( 308) = ( 0.5000000 0.5000000 0.2674419), wk = 0.0030488 k( 309) = ( 0.5000000 0.5000000 0.2790698), wk = 0.0030488 k( 310) = ( 0.5000000 0.5000000 0.2906977), wk = 0.0030488 k( 311) = ( 0.5000000 0.5000000 0.3023256), wk = 0.0030488 k( 312) = ( 0.5000000 0.5000000 0.3139535), wk = 0.0030488 k( 313) = ( 0.5000000 0.5000000 0.3255814), wk = 0.0030488 k( 314) = ( 0.5000000 0.5000000 0.3372093), wk = 0.0030488 k( 315) = ( 0.5000000 0.5000000 0.3488372), wk = 0.0030488 k( 316) = ( 0.5000000 0.5000000 0.3604651), wk = 0.0030488 k( 317) = ( 0.5000000 0.5000000 0.3720930), wk = 0.0030488 k( 318) = ( 0.5000000 0.5000000 0.3837209), wk = 0.0030488 k( 319) = ( 0.5000000 0.5000000 0.3953488), wk = 0.0030488 k( 320) = ( 0.5000000 0.5000000 0.4069767), wk = 0.0030488 k( 321) = ( 0.5000000 0.5000000 0.4186046), wk = 0.0030488 k( 322) = ( 0.5000000 0.5000000 0.4302326), wk = 0.0030488 k( 323) = ( 0.5000000 0.5000000 0.4418605), wk = 0.0030488 k( 324) = ( 0.5000000 0.5000000 0.4534884), wk = 0.0030488 k( 325) = ( 0.5000000 0.5000000 0.4651163), wk = 0.0030488 k( 326) = ( 0.5000000 0.5000000 0.4767442), wk = 0.0030488 k( 327) = ( 0.5000000 0.5000000 0.4883721), wk = 0.0030488 k( 328) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( 0.0000000 0.0116279 0.0000000), wk = 0.0030488 k( 3) = ( 0.0000000 0.0232558 0.0000000), wk = 0.0030488 k( 4) = ( 0.0000000 0.0348837 0.0000000), wk = 0.0030488 k( 5) = ( 0.0000000 0.0465116 0.0000000), wk = 0.0030488 k( 6) = ( 0.0000000 0.0581395 0.0000000), wk = 0.0030488 k( 7) = ( 0.0000000 0.0697674 0.0000000), wk = 0.0030488 k( 8) = ( 0.0000000 0.0813954 0.0000000), wk = 0.0030488 k( 9) = ( 0.0000000 0.0930233 0.0000000), wk = 0.0030488 k( 10) = ( 0.0000000 0.1046512 0.0000000), wk = 0.0030488 k( 11) = ( 0.0000000 0.1162791 0.0000000), wk = 0.0030488 k( 12) = ( 0.0000000 0.1279070 0.0000000), wk = 0.0030488 k( 13) = ( 0.0000000 0.1395349 0.0000000), wk = 0.0030488 k( 14) = ( 0.0000000 0.1511628 0.0000000), wk = 0.0030488 k( 15) = ( 0.0000000 0.1627907 0.0000000), wk = 0.0030488 k( 16) = ( 0.0000000 0.1744186 0.0000000), wk = 0.0030488 k( 17) = ( 0.0000000 0.1860465 0.0000000), wk = 0.0030488 k( 18) = ( 0.0000000 0.1976744 0.0000000), wk = 0.0030488 k( 19) = ( 0.0000000 0.2093023 0.0000000), wk = 0.0030488 k( 20) = ( 0.0000000 0.2209302 0.0000000), wk = 0.0030488 k( 21) = ( 0.0000000 0.2325581 0.0000000), wk = 0.0030488 k( 22) = ( 0.0000000 0.2441860 0.0000000), wk = 0.0030488 k( 23) = ( 0.0000000 0.2558140 0.0000000), wk = 0.0030488 k( 24) = ( 0.0000000 0.2674419 0.0000000), wk = 0.0030488 k( 25) = ( 0.0000000 0.2790698 0.0000000), wk = 0.0030488 k( 26) = ( 0.0000000 0.2906977 0.0000000), wk = 0.0030488 k( 27) = ( 0.0000000 0.3023256 0.0000000), wk = 0.0030488 k( 28) = ( 0.0000000 0.3139535 0.0000000), wk = 0.0030488 k( 29) = ( 0.0000000 0.3255814 0.0000000), wk = 0.0030488 k( 30) = ( 0.0000000 0.3372093 0.0000000), wk = 0.0030488 k( 31) = ( 0.0000000 0.3488372 0.0000000), wk = 0.0030488 k( 32) = ( 0.0000000 0.3604651 0.0000000), wk = 0.0030488 k( 33) = ( 0.0000000 0.3720930 0.0000000), wk = 0.0030488 k( 34) = ( 0.0000000 0.3837209 0.0000000), wk = 0.0030488 k( 35) = ( 0.0000000 0.3953488 0.0000000), wk = 0.0030488 k( 36) = ( 0.0000000 0.4069767 0.0000000), wk = 0.0030488 k( 37) = ( 0.0000000 0.4186047 0.0000000), wk = 0.0030488 k( 38) = ( 0.0000000 0.4302326 0.0000000), wk = 0.0030488 k( 39) = ( 0.0000000 0.4418605 0.0000000), wk = 0.0030488 k( 40) = ( 0.0000000 0.4534884 0.0000000), wk = 0.0030488 k( 41) = ( 0.0000000 0.4651163 0.0000000), wk = 0.0030488 k( 42) = ( 0.0000000 0.4767442 0.0000000), wk = 0.0030488 k( 43) = ( 0.0000000 0.4883721 0.0000000), wk = 0.0030488 k( 44) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030488 k( 45) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030488 k( 46) = ( 0.0116279 0.5000000 0.0000000), wk = 0.0030488 k( 47) = ( 0.0232558 0.5000000 0.0000000), wk = 0.0030488 k( 48) = ( 0.0348837 0.5000000 0.0000000), wk = 0.0030488 k( 49) = ( 0.0465116 0.5000000 0.0000000), wk = 0.0030488 k( 50) = ( 0.0581395 0.5000000 0.0000000), wk = 0.0030488 k( 51) = ( 0.0697674 0.5000000 0.0000000), wk = 0.0030488 k( 52) = ( 0.0813954 0.5000000 0.0000000), wk = 0.0030488 k( 53) = ( 0.0930233 0.5000000 0.0000000), wk = 0.0030488 k( 54) = ( 0.1046512 0.5000000 0.0000000), wk = 0.0030488 k( 55) = ( 0.1162791 0.5000000 0.0000000), wk = 0.0030488 k( 56) = ( 0.1279070 0.5000000 0.0000000), wk = 0.0030488 k( 57) = ( 0.1395349 0.5000000 0.0000000), wk = 0.0030488 k( 58) = ( 0.1511628 0.5000000 0.0000000), wk = 0.0030488 k( 59) = ( 0.1627907 0.5000000 0.0000000), wk = 0.0030488 k( 60) = ( 0.1744186 0.5000000 0.0000000), wk = 0.0030488 k( 61) = ( 0.1860465 0.5000000 0.0000000), wk = 0.0030488 k( 62) = ( 0.1976744 0.5000000 0.0000000), wk = 0.0030488 k( 63) = ( 0.2093023 0.5000000 0.0000000), wk = 0.0030488 k( 64) = ( 0.2209302 0.5000000 0.0000000), wk = 0.0030488 k( 65) = ( 0.2325581 0.5000000 0.0000000), wk = 0.0030488 k( 66) = ( 0.2441860 0.5000000 0.0000000), wk = 0.0030488 k( 67) = ( 0.2558140 0.5000000 0.0000000), wk = 0.0030488 k( 68) = ( 0.2674419 0.5000000 0.0000000), wk = 0.0030488 k( 69) = ( 0.2790698 0.5000000 0.0000000), wk = 0.0030488 k( 70) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0030488 k( 71) = ( 0.3023256 0.5000000 0.0000000), wk = 0.0030488 k( 72) = ( 0.3139535 0.5000000 0.0000000), wk = 0.0030488 k( 73) = ( 0.3255814 0.5000000 0.0000000), wk = 0.0030488 k( 74) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0030488 k( 75) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0030488 k( 76) = ( 0.3604651 0.5000000 0.0000000), wk = 0.0030488 k( 77) = ( 0.3720930 0.5000000 0.0000000), wk = 0.0030488 k( 78) = ( 0.3837209 0.5000000 0.0000000), wk = 0.0030488 k( 79) = ( 0.3953488 0.5000000 -0.0000000), wk = 0.0030488 k( 80) = ( 0.4069767 0.5000000 0.0000000), wk = 0.0030488 k( 81) = ( 0.4186047 0.5000000 0.0000000), wk = 0.0030488 k( 82) = ( 0.4302326 0.5000000 0.0000000), wk = 0.0030488 k( 83) = ( 0.4418605 0.5000000 0.0000000), wk = 0.0030488 k( 84) = ( 0.4534884 0.5000000 0.0000000), wk = 0.0030488 k( 85) = ( 0.4651163 0.5000000 0.0000000), wk = 0.0030488 k( 86) = ( 0.4767442 0.5000000 0.0000000), wk = 0.0030488 k( 87) = ( 0.4883721 0.5000000 0.0000000), wk = 0.0030488 k( 88) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030488 k( 89) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030488 k( 90) = ( 0.4916667 0.4916667 0.0000000), wk = 0.0030488 k( 91) = ( 0.4833333 0.4833333 0.0000000), wk = 0.0030488 k( 92) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0030488 k( 93) = ( 0.4666667 0.4666667 0.0000000), wk = 0.0030488 k( 94) = ( 0.4583333 0.4583333 0.0000000), wk = 0.0030488 k( 95) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0030488 k( 96) = ( 0.4416667 0.4416667 0.0000000), wk = 0.0030488 k( 97) = ( 0.4333333 0.4333333 0.0000000), wk = 0.0030488 k( 98) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0030488 k( 99) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0030488 k( 100) = ( 0.4083333 0.4083333 0.0000000), wk = 0.0030488 k( 101) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0030488 k( 102) = ( 0.3916667 0.3916667 0.0000000), wk = 0.0030488 k( 103) = ( 0.3833333 0.3833333 0.0000000), wk = 0.0030488 k( 104) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0030488 k( 105) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0030488 k( 106) = ( 0.3583333 0.3583333 -0.0000000), wk = 0.0030488 k( 107) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0030488 k( 108) = ( 0.3416667 0.3416667 0.0000000), wk = 0.0030488 k( 109) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030488 k( 110) = ( 0.3250000 0.3250000 -0.0000000), wk = 0.0030488 k( 111) = ( 0.3166667 0.3166667 0.0000000), wk = 0.0030488 k( 112) = ( 0.3083333 0.3083333 0.0000000), wk = 0.0030488 k( 113) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0030488 k( 114) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0030488 k( 115) = ( 0.2833333 0.2833333 -0.0000000), wk = 0.0030488 k( 116) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0030488 k( 117) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0030488 k( 118) = ( 0.2583333 0.2583333 0.0000000), wk = 0.0030488 k( 119) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0030488 k( 120) = ( 0.2416667 0.2416667 0.0000000), wk = 0.0030488 k( 121) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0030488 k( 122) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0030488 k( 123) = ( 0.2166667 0.2166667 0.0000000), wk = 0.0030488 k( 124) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0030488 k( 125) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0030488 k( 126) = ( 0.1916667 0.1916667 0.0000000), wk = 0.0030488 k( 127) = ( 0.1833333 0.1833333 0.0000000), wk = 0.0030488 k( 128) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0030488 k( 129) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0030488 k( 130) = ( 0.1583333 0.1583333 -0.0000000), wk = 0.0030488 k( 131) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0030488 k( 132) = ( 0.1416667 0.1416667 0.0000000), wk = 0.0030488 k( 133) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0030488 k( 134) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0030488 k( 135) = ( 0.1166667 0.1166667 0.0000000), wk = 0.0030488 k( 136) = ( 0.1083333 0.1083333 0.0000000), wk = 0.0030488 k( 137) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0030488 k( 138) = ( 0.0916667 0.0916667 0.0000000), wk = 0.0030488 k( 139) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0030488 k( 140) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0030488 k( 141) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0030488 k( 142) = ( 0.0583333 0.0583333 0.0000000), wk = 0.0030488 k( 143) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0030488 k( 144) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0030488 k( 145) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0030488 k( 146) = ( 0.0250000 0.0250000 -0.0000000), wk = 0.0030488 k( 147) = ( 0.0166667 0.0166667 0.0000000), wk = 0.0030488 k( 148) = ( 0.0083333 0.0083333 0.0000000), wk = 0.0030488 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 151) = ( 0.0068493 0.0068493 0.0068493), wk = 0.0030488 k( 152) = ( 0.0136986 0.0136986 0.0136986), wk = 0.0030488 k( 153) = ( 0.0205479 0.0205479 0.0205479), wk = 0.0030488 k( 154) = ( 0.0273973 0.0273973 0.0273973), wk = 0.0030488 k( 155) = ( 0.0342466 0.0342466 0.0342466), wk = 0.0030488 k( 156) = ( 0.0410959 0.0410959 0.0410959), wk = 0.0030488 k( 157) = ( 0.0479452 0.0479452 0.0479452), wk = 0.0030488 k( 158) = ( 0.0547945 0.0547945 0.0547945), wk = 0.0030488 k( 159) = ( 0.0616438 0.0616438 0.0616438), wk = 0.0030488 k( 160) = ( 0.0684932 0.0684932 0.0684932), wk = 0.0030488 k( 161) = ( 0.0753425 0.0753425 0.0753425), wk = 0.0030488 k( 162) = ( 0.0821918 0.0821918 0.0821918), wk = 0.0030488 k( 163) = ( 0.0890411 0.0890411 0.0890411), wk = 0.0030488 k( 164) = ( 0.0958904 0.0958904 0.0958904), wk = 0.0030488 k( 165) = ( 0.1027397 0.1027397 0.1027397), wk = 0.0030488 k( 166) = ( 0.1095890 0.1095890 0.1095890), wk = 0.0030488 k( 167) = ( 0.1164384 0.1164384 0.1164384), wk = 0.0030488 k( 168) = ( 0.1232877 0.1232877 0.1232877), wk = 0.0030488 k( 169) = ( 0.1301370 0.1301370 0.1301370), wk = 0.0030488 k( 170) = ( 0.1369863 0.1369863 0.1369863), wk = 0.0030488 k( 171) = ( 0.1438356 0.1438356 0.1438356), wk = 0.0030488 k( 172) = ( 0.1506849 0.1506849 0.1506849), wk = 0.0030488 k( 173) = ( 0.1575342 0.1575342 0.1575342), wk = 0.0030488 k( 174) = ( 0.1643836 0.1643836 0.1643836), wk = 0.0030488 k( 175) = ( 0.1712329 0.1712329 0.1712329), wk = 0.0030488 k( 176) = ( 0.1780822 0.1780822 0.1780822), wk = 0.0030488 k( 177) = ( 0.1849315 0.1849315 0.1849315), wk = 0.0030488 k( 178) = ( 0.1917808 0.1917808 0.1917808), wk = 0.0030488 k( 179) = ( 0.1986301 0.1986301 0.1986301), wk = 0.0030488 k( 180) = ( 0.2054795 0.2054795 0.2054795), wk = 0.0030488 k( 181) = ( 0.2123288 0.2123288 0.2123288), wk = 0.0030488 k( 182) = ( 0.2191781 0.2191781 0.2191781), wk = 0.0030488 k( 183) = ( 0.2260274 0.2260274 0.2260274), wk = 0.0030488 k( 184) = ( 0.2328767 0.2328767 0.2328767), wk = 0.0030488 k( 185) = ( 0.2397260 0.2397260 0.2397260), wk = 0.0030488 k( 186) = ( 0.2465753 0.2465753 0.2465753), wk = 0.0030488 k( 187) = ( 0.2534247 0.2534247 0.2534247), wk = 0.0030488 k( 188) = ( 0.2602740 0.2602740 0.2602740), wk = 0.0030488 k( 189) = ( 0.2671233 0.2671233 0.2671233), wk = 0.0030488 k( 190) = ( 0.2739726 0.2739726 0.2739726), wk = 0.0030488 k( 191) = ( 0.2808219 0.2808219 0.2808219), wk = 0.0030488 k( 192) = ( 0.2876712 0.2876712 0.2876712), wk = 0.0030488 k( 193) = ( 0.2945205 0.2945205 0.2945205), wk = 0.0030488 k( 194) = ( 0.3013699 0.3013699 0.3013699), wk = 0.0030488 k( 195) = ( 0.3082192 0.3082192 0.3082192), wk = 0.0030488 k( 196) = ( 0.3150685 0.3150685 0.3150685), wk = 0.0030488 k( 197) = ( 0.3219178 0.3219178 0.3219178), wk = 0.0030488 k( 198) = ( 0.3287671 0.3287671 0.3287671), wk = 0.0030488 k( 199) = ( 0.3356164 0.3356164 0.3356164), wk = 0.0030488 k( 200) = ( 0.3424658 0.3424658 0.3424658), wk = 0.0030488 k( 201) = ( 0.3493151 0.3493151 0.3493151), wk = 0.0030488 k( 202) = ( 0.3561644 0.3561644 0.3561644), wk = 0.0030488 k( 203) = ( 0.3630137 0.3630137 0.3630137), wk = 0.0030488 k( 204) = ( 0.3698630 0.3698630 0.3698630), wk = 0.0030488 k( 205) = ( 0.3767123 0.3767123 0.3767123), wk = 0.0030488 k( 206) = ( 0.3835616 0.3835616 0.3835616), wk = 0.0030488 k( 207) = ( 0.3904110 0.3904110 0.3904110), wk = 0.0030488 k( 208) = ( 0.3972603 0.3972603 0.3972603), wk = 0.0030488 k( 209) = ( 0.4041096 0.4041096 0.4041096), wk = 0.0030488 k( 210) = ( 0.4109589 0.4109589 0.4109589), wk = 0.0030488 k( 211) = ( 0.4178082 0.4178082 0.4178082), wk = 0.0030488 k( 212) = ( 0.4246575 0.4246575 0.4246575), wk = 0.0030488 k( 213) = ( 0.4315068 0.4315068 0.4315068), wk = 0.0030488 k( 214) = ( 0.4383562 0.4383562 0.4383562), wk = 0.0030488 k( 215) = ( 0.4452055 0.4452055 0.4452055), wk = 0.0030488 k( 216) = ( 0.4520548 0.4520548 0.4520548), wk = 0.0030488 k( 217) = ( 0.4589041 0.4589041 0.4589041), wk = 0.0030488 k( 218) = ( 0.4657534 0.4657534 0.4657534), wk = 0.0030488 k( 219) = ( 0.4726027 0.4726027 0.4726027), wk = 0.0030488 k( 220) = ( 0.4794521 0.4794521 0.4794521), wk = 0.0030488 k( 221) = ( 0.4863014 0.4863014 0.4863014), wk = 0.0030488 k( 222) = ( 0.4931507 0.4931507 0.4931507), wk = 0.0030488 k( 223) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 224) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 k( 225) = ( 0.4916667 0.5000000 0.4916667), wk = 0.0030488 k( 226) = ( 0.4833333 0.5000000 0.4833333), wk = 0.0030488 k( 227) = ( 0.4750000 0.5000000 0.4750000), wk = 0.0030488 k( 228) = ( 0.4666667 0.5000000 0.4666667), wk = 0.0030488 k( 229) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0030488 k( 230) = ( 0.4500000 0.5000000 0.4500000), wk = 0.0030488 k( 231) = ( 0.4416667 0.5000000 0.4416667), wk = 0.0030488 k( 232) = ( 0.4333333 0.5000000 0.4333333), wk = 0.0030488 k( 233) = ( 0.4250000 0.5000000 0.4250000), wk = 0.0030488 k( 234) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0030488 k( 235) = ( 0.4083333 0.5000000 0.4083333), wk = 0.0030488 k( 236) = ( 0.4000000 0.5000000 0.4000000), wk = 0.0030488 k( 237) = ( 0.3916667 0.5000000 0.3916667), wk = 0.0030488 k( 238) = ( 0.3833333 0.5000000 0.3833333), wk = 0.0030488 k( 239) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0030488 k( 240) = ( 0.3666667 0.5000000 0.3666667), wk = 0.0030488 k( 241) = ( 0.3583333 0.5000000 0.3583333), wk = 0.0030488 k( 242) = ( 0.3500000 0.5000000 0.3500000), wk = 0.0030488 k( 243) = ( 0.3416667 0.5000000 0.3416667), wk = 0.0030488 k( 244) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0030488 k( 245) = ( 0.3250000 0.5000000 0.3250000), wk = 0.0030488 k( 246) = ( 0.3166667 0.5000000 0.3166667), wk = 0.0030488 k( 247) = ( 0.3083333 0.5000000 0.3083333), wk = 0.0030488 k( 248) = ( 0.3000000 0.5000000 0.3000000), wk = 0.0030488 k( 249) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0030488 k( 250) = ( 0.2833333 0.5000000 0.2833333), wk = 0.0030488 k( 251) = ( 0.2750000 0.5000000 0.2750000), wk = 0.0030488 k( 252) = ( 0.2666667 0.5000000 0.2666667), wk = 0.0030488 k( 253) = ( 0.2583333 0.5000000 0.2583333), wk = 0.0030488 k( 254) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0030488 k( 255) = ( 0.2416667 0.5000000 0.2416667), wk = 0.0030488 k( 256) = ( 0.2333333 0.5000000 0.2333333), wk = 0.0030488 k( 257) = ( 0.2250000 0.5000000 0.2250000), wk = 0.0030488 k( 258) = ( 0.2166667 0.5000000 0.2166667), wk = 0.0030488 k( 259) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0030488 k( 260) = ( 0.2000000 0.5000000 0.2000000), wk = 0.0030488 k( 261) = ( 0.1916667 0.5000000 0.1916667), wk = 0.0030488 k( 262) = ( 0.1833333 0.5000000 0.1833333), wk = 0.0030488 k( 263) = ( 0.1750000 0.5000000 0.1750000), wk = 0.0030488 k( 264) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0030488 k( 265) = ( 0.1583333 0.5000000 0.1583333), wk = 0.0030488 k( 266) = ( 0.1500000 0.5000000 0.1500000), wk = 0.0030488 k( 267) = ( 0.1416667 0.5000000 0.1416667), wk = 0.0030488 k( 268) = ( 0.1333333 0.5000000 0.1333333), wk = 0.0030488 k( 269) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0030488 k( 270) = ( 0.1166667 0.5000000 0.1166667), wk = 0.0030488 k( 271) = ( 0.1083333 0.5000000 0.1083333), wk = 0.0030488 k( 272) = ( 0.1000000 0.5000000 0.1000000), wk = 0.0030488 k( 273) = ( 0.0916667 0.5000000 0.0916667), wk = 0.0030488 k( 274) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0030488 k( 275) = ( 0.0750000 0.5000000 0.0750000), wk = 0.0030488 k( 276) = ( 0.0666667 0.5000000 0.0666667), wk = 0.0030488 k( 277) = ( 0.0583333 0.5000000 0.0583333), wk = 0.0030488 k( 278) = ( 0.0500000 0.5000000 0.0500000), wk = 0.0030488 k( 279) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0030488 k( 280) = ( 0.0333333 0.5000000 0.0333333), wk = 0.0030488 k( 281) = ( 0.0250000 0.5000000 0.0250000), wk = 0.0030488 k( 282) = ( 0.0166667 0.5000000 0.0166667), wk = 0.0030488 k( 283) = ( 0.0083333 0.5000000 0.0083333), wk = 0.0030488 k( 284) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030488 k( 285) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030488 k( 286) = ( 0.5000000 0.5000000 0.0116279), wk = 0.0030488 k( 287) = ( 0.5000000 0.5000000 0.0232558), wk = 0.0030488 k( 288) = ( 0.5000000 0.5000000 0.0348837), wk = 0.0030488 k( 289) = ( 0.5000000 0.5000000 0.0465116), wk = 0.0030488 k( 290) = ( 0.5000000 0.5000000 0.0581395), wk = 0.0030488 k( 291) = ( 0.5000000 0.5000000 0.0697674), wk = 0.0030488 k( 292) = ( 0.5000000 0.5000000 0.0813954), wk = 0.0030488 k( 293) = ( 0.5000000 0.5000000 0.0930233), wk = 0.0030488 k( 294) = ( 0.5000000 0.5000000 0.1046512), wk = 0.0030488 k( 295) = ( 0.5000000 0.5000000 0.1162791), wk = 0.0030488 k( 296) = ( 0.5000000 0.5000000 0.1279070), wk = 0.0030488 k( 297) = ( 0.5000000 0.5000000 0.1395349), wk = 0.0030488 k( 298) = ( 0.5000000 0.5000000 0.1511628), wk = 0.0030488 k( 299) = ( 0.5000000 0.5000000 0.1627907), wk = 0.0030488 k( 300) = ( 0.5000000 0.5000000 0.1744186), wk = 0.0030488 k( 301) = ( 0.5000000 0.5000000 0.1860465), wk = 0.0030488 k( 302) = ( 0.5000000 0.5000000 0.1976744), wk = 0.0030488 k( 303) = ( 0.5000000 0.5000000 0.2093023), wk = 0.0030488 k( 304) = ( 0.5000000 0.5000000 0.2209302), wk = 0.0030488 k( 305) = ( 0.5000000 0.5000000 0.2325581), wk = 0.0030488 k( 306) = ( 0.5000000 0.5000000 0.2441860), wk = 0.0030488 k( 307) = ( 0.5000000 0.5000000 0.2558140), wk = 0.0030488 k( 308) = ( 0.5000000 0.5000000 0.2674419), wk = 0.0030488 k( 309) = ( 0.5000000 0.5000000 0.2790698), wk = 0.0030488 k( 310) = ( 0.5000000 0.5000000 0.2906977), wk = 0.0030488 k( 311) = ( 0.5000000 0.5000000 0.3023256), wk = 0.0030488 k( 312) = ( 0.5000000 0.5000000 0.3139535), wk = 0.0030488 k( 313) = ( 0.5000000 0.5000000 0.3255814), wk = 0.0030488 k( 314) = ( 0.5000000 0.5000000 0.3372093), wk = 0.0030488 k( 315) = ( 0.5000000 0.5000000 0.3488372), wk = 0.0030488 k( 316) = ( 0.5000000 0.5000000 0.3604651), wk = 0.0030488 k( 317) = ( 0.5000000 0.5000000 0.3720930), wk = 0.0030488 k( 318) = ( 0.5000000 0.5000000 0.3837209), wk = 0.0030488 k( 319) = ( 0.5000000 0.5000000 0.3953488), wk = 0.0030488 k( 320) = ( 0.5000000 0.5000000 0.4069767), wk = 0.0030488 k( 321) = ( 0.5000000 0.5000000 0.4186047), wk = 0.0030488 k( 322) = ( 0.5000000 0.5000000 0.4302326), wk = 0.0030488 k( 323) = ( 0.5000000 0.5000000 0.4418605), wk = 0.0030488 k( 324) = ( 0.5000000 0.5000000 0.4534884), wk = 0.0030488 k( 325) = ( 0.5000000 0.5000000 0.4651163), wk = 0.0030488 k( 326) = ( 0.5000000 0.5000000 0.4767442), wk = 0.0030488 k( 327) = ( 0.5000000 0.5000000 0.4883721), wk = 0.0030488 k( 328) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030488 Dense grid: 52971 G-vectors FFT dimensions: ( 48, 48, 48) Smooth grid: 14771 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 106, 42) NL pseudopotentials 0.11 Mb ( 53, 136) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1472) G-vector shells 0.00 Mb ( 337) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.27 Mb ( 106, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.17 Mb ( 136, 2, 42) The potential is recalculated from file : ./Fe3Pt.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 2.3 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 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 2.9 secs Computing kpt #: 5 total cpu time spent up to now is 3.2 secs Computing kpt #: 6 total cpu time spent up to now is 3.4 secs Computing kpt #: 7 total cpu time spent up to now is 3.6 secs Computing kpt #: 8 total cpu time spent up to now is 3.9 secs Computing kpt #: 9 total cpu time spent up to now is 4.1 secs Computing kpt #: 10 total cpu time spent up to now is 4.3 secs Computing kpt #: 11 total cpu time spent up to now is 4.6 secs Computing kpt #: 12 total cpu time spent up to now is 4.8 secs Computing kpt #: 13 total cpu time spent up to now is 5.0 secs Computing kpt #: 14 total cpu time spent up to now is 5.2 secs Computing kpt #: 15 total cpu time spent up to now is 5.5 secs Computing kpt #: 16 total cpu time spent up to now is 5.7 secs Computing kpt #: 17 total cpu time spent up to now is 6.1 secs Computing kpt #: 18 total cpu time spent up to now is 6.4 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 7.7 secs Computing kpt #: 24 total cpu time spent up to now is 8.0 secs Computing kpt #: 25 total cpu time spent up to now is 8.2 secs Computing kpt #: 26 total cpu time spent up to now is 8.5 secs Computing kpt #: 27 total cpu time spent up to now is 8.7 secs Computing kpt #: 28 total cpu time spent up to now is 9.0 secs Computing kpt #: 29 total cpu time spent up to now is 9.3 secs Computing kpt #: 30 total cpu time spent up to now is 9.5 secs Computing kpt #: 31 total cpu time spent up to now is 9.8 secs Computing kpt #: 32 total cpu time spent up to now is 10.0 secs Computing kpt #: 33 total cpu time spent up to now is 10.3 secs Computing kpt #: 34 total cpu time spent up to now is 10.6 secs Computing kpt #: 35 total cpu time spent up to now is 10.8 secs Computing kpt #: 36 total cpu time spent up to now is 11.1 secs Computing kpt #: 37 total cpu time spent up to now is 11.4 secs Computing kpt #: 38 total cpu time spent up to now is 11.6 secs Computing kpt #: 39 total cpu time spent up to now is 11.9 secs Computing kpt #: 40 total cpu time spent up to now is 12.1 secs Computing kpt #: 41 total cpu time spent up to now is 12.4 secs Computing kpt #: 42 total cpu time spent up to now is 12.6 secs Computing kpt #: 43 total cpu time spent up to now is 12.8 secs Computing kpt #: 44 total cpu time spent up to now is 13.0 secs Computing kpt #: 45 total cpu time spent up to now is 13.3 secs Computing kpt #: 46 total cpu time spent up to now is 13.5 secs Computing kpt #: 47 total cpu time spent up to now is 13.7 secs Computing kpt #: 48 total cpu time spent up to now is 14.0 secs Computing kpt #: 49 total cpu time spent up to now is 14.2 secs Computing kpt #: 50 total cpu time spent up to now is 14.5 secs Computing kpt #: 51 total cpu time spent up to now is 14.8 secs Computing kpt #: 52 total cpu time spent up to now is 15.1 secs Computing kpt #: 53 total cpu time spent up to now is 15.3 secs Computing kpt #: 54 total cpu time spent up to now is 15.6 secs Computing kpt #: 55 total cpu time spent up to now is 15.9 secs Computing kpt #: 56 total cpu time spent up to now is 16.2 secs Computing kpt #: 57 total cpu time spent up to now is 16.5 secs Computing kpt #: 58 total cpu time spent up to now is 16.8 secs Computing kpt #: 59 total cpu time spent up to now is 17.1 secs Computing kpt #: 60 total cpu time spent up to now is 17.3 secs Computing kpt #: 61 total cpu time spent up to now is 17.6 secs Computing kpt #: 62 total cpu time spent up to now is 17.9 secs Computing kpt #: 63 total cpu time spent up to now is 18.2 secs Computing kpt #: 64 total cpu time spent up to now is 18.5 secs Computing kpt #: 65 total cpu time spent up to now is 18.7 secs Computing kpt #: 66 total cpu time spent up to now is 19.0 secs Computing kpt #: 67 total cpu time spent up to now is 19.2 secs Computing kpt #: 68 total cpu time spent up to now is 19.5 secs Computing kpt #: 69 total cpu time spent up to now is 19.8 secs Computing kpt #: 70 total cpu time spent up to now is 20.0 secs Computing kpt #: 71 total cpu time spent up to now is 20.3 secs Computing kpt #: 72 total cpu time spent up to now is 20.5 secs Computing kpt #: 73 total cpu time spent up to now is 20.8 secs Computing kpt #: 74 total cpu time spent up to now is 21.1 secs Computing kpt #: 75 total cpu time spent up to now is 21.4 secs Computing kpt #: 76 total cpu time spent up to now is 21.6 secs Computing kpt #: 77 total cpu time spent up to now is 21.9 secs Computing kpt #: 78 total cpu time spent up to now is 22.2 secs Computing kpt #: 79 total cpu time spent up to now is 22.5 secs Computing kpt #: 80 total cpu time spent up to now is 22.8 secs Computing kpt #: 81 total cpu time spent up to now is 23.1 secs Computing kpt #: 82 total cpu time spent up to now is 23.3 secs Computing kpt #: 83 total cpu time spent up to now is 23.6 secs Computing kpt #: 84 total cpu time spent up to now is 23.9 secs Computing kpt #: 85 total cpu time spent up to now is 24.2 secs Computing kpt #: 86 total cpu time spent up to now is 24.5 secs Computing kpt #: 87 total cpu time spent up to now is 24.9 secs Computing kpt #: 88 total cpu time spent up to now is 25.2 secs Computing kpt #: 89 total cpu time spent up to now is 25.5 secs Computing kpt #: 90 total cpu time spent up to now is 25.9 secs Computing kpt #: 91 total cpu time spent up to now is 26.2 secs Computing kpt #: 92 total cpu time spent up to now is 26.5 secs Computing kpt #: 93 total cpu time spent up to now is 26.8 secs Computing kpt #: 94 total cpu time spent up to now is 27.1 secs Computing kpt #: 95 total cpu time spent up to now is 27.3 secs Computing kpt #: 96 total cpu time spent up to now is 27.6 secs Computing kpt #: 97 total cpu time spent up to now is 27.8 secs Computing kpt #: 98 total cpu time spent up to now is 28.1 secs Computing kpt #: 99 total cpu time spent up to now is 28.3 secs Computing kpt #: 100 total cpu time spent up to now is 28.5 secs Computing kpt #: 101 total cpu time spent up to now is 28.8 secs Computing kpt #: 102 total cpu time spent up to now is 29.0 secs Computing kpt #: 103 total cpu time spent up to now is 29.2 secs Computing kpt #: 104 total cpu time spent up to now is 29.4 secs Computing kpt #: 105 total cpu time spent up to now is 29.6 secs Computing kpt #: 106 total cpu time spent up to now is 29.8 secs Computing kpt #: 107 total cpu time spent up to now is 30.1 secs Computing kpt #: 108 total cpu time spent up to now is 30.3 secs Computing kpt #: 109 total cpu time spent up to now is 30.5 secs Computing kpt #: 110 total cpu time spent up to now is 30.7 secs Computing kpt #: 111 total cpu time spent up to now is 30.9 secs Computing kpt #: 112 total cpu time spent up to now is 31.1 secs Computing kpt #: 113 total cpu time spent up to now is 31.3 secs Computing kpt #: 114 total cpu time spent up to now is 31.5 secs Computing kpt #: 115 total cpu time spent up to now is 31.8 secs Computing kpt #: 116 total cpu time spent up to now is 32.0 secs Computing kpt #: 117 total cpu time spent up to now is 32.2 secs Computing kpt #: 118 total cpu time spent up to now is 32.4 secs Computing kpt #: 119 total cpu time spent up to now is 32.6 secs Computing kpt #: 120 total cpu time spent up to now is 32.9 secs Computing kpt #: 121 total cpu time spent up to now is 33.1 secs Computing kpt #: 122 total cpu time spent up to now is 33.3 secs Computing kpt #: 123 total cpu time spent up to now is 33.5 secs Computing kpt #: 124 total cpu time spent up to now is 33.7 secs Computing kpt #: 125 total cpu time spent up to now is 34.0 secs Computing kpt #: 126 total cpu time spent up to now is 34.2 secs Computing kpt #: 127 total cpu time spent up to now is 34.4 secs Computing kpt #: 128 total cpu time spent up to now is 34.7 secs Computing kpt #: 129 total cpu time spent up to now is 34.9 secs Computing kpt #: 130 total cpu time spent up to now is 35.1 secs Computing kpt #: 131 total cpu time spent up to now is 35.4 secs Computing kpt #: 132 total cpu time spent up to now is 35.6 secs Computing kpt #: 133 total cpu time spent up to now is 35.8 secs Computing kpt #: 134 total cpu time spent up to now is 36.1 secs Computing kpt #: 135 total cpu time spent up to now is 36.3 secs Computing kpt #: 136 total cpu time spent up to now is 36.6 secs Computing kpt #: 137 total cpu time spent up to now is 36.8 secs Computing kpt #: 138 total cpu time spent up to now is 37.1 secs Computing kpt #: 139 total cpu time spent up to now is 37.3 secs Computing kpt #: 140 total cpu time spent up to now is 37.6 secs Computing kpt #: 141 total cpu time spent up to now is 37.8 secs Computing kpt #: 142 total cpu time spent up to now is 38.0 secs Computing kpt #: 143 total cpu time spent up to now is 38.3 secs Computing kpt #: 144 total cpu time spent up to now is 38.5 secs Computing kpt #: 145 total cpu time spent up to now is 38.8 secs Computing kpt #: 146 total cpu time spent up to now is 39.0 secs Computing kpt #: 147 total cpu time spent up to now is 39.2 secs Computing kpt #: 148 total cpu time spent up to now is 39.4 secs Computing kpt #: 149 total cpu time spent up to now is 39.6 secs Computing kpt #: 150 total cpu time spent up to now is 39.8 secs Computing kpt #: 151 total cpu time spent up to now is 40.0 secs Computing kpt #: 152 total cpu time spent up to now is 40.2 secs Computing kpt #: 153 total cpu time spent up to now is 40.4 secs Computing kpt #: 154 total cpu time spent up to now is 40.6 secs Computing kpt #: 155 total cpu time spent up to now is 41.2 secs Computing kpt #: 156 total cpu time spent up to now is 41.5 secs Computing kpt #: 157 total cpu time spent up to now is 41.7 secs Computing kpt #: 158 total cpu time spent up to now is 41.9 secs Computing kpt #: 159 total cpu time spent up to now is 42.2 secs Computing kpt #: 160 total cpu time spent up to now is 42.4 secs Computing kpt #: 161 total cpu time spent up to now is 42.7 secs Computing kpt #: 162 total cpu time spent up to now is 42.9 secs Computing kpt #: 163 total cpu time spent up to now is 43.1 secs Computing kpt #: 164 total cpu time spent up to now is 43.4 secs Computing kpt #: 165 total cpu time spent up to now is 43.6 secs Computing kpt #: 166 total cpu time spent up to now is 43.8 secs Computing kpt #: 167 total cpu time spent up to now is 44.1 secs Computing kpt #: 168 total cpu time spent up to now is 44.3 secs Computing kpt #: 169 total cpu time spent up to now is 44.5 secs Computing kpt #: 170 total cpu time spent up to now is 44.7 secs Computing kpt #: 171 total cpu time spent up to now is 45.0 secs Computing kpt #: 172 total cpu time spent up to now is 45.2 secs Computing kpt #: 173 total cpu time spent up to now is 45.4 secs Computing kpt #: 174 total cpu time spent up to now is 45.6 secs Computing kpt #: 175 total cpu time spent up to now is 45.8 secs Computing kpt #: 176 total cpu time spent up to now is 46.1 secs Computing kpt #: 177 total cpu time spent up to now is 46.3 secs Computing kpt #: 178 total cpu time spent up to now is 46.5 secs Computing kpt #: 179 total cpu time spent up to now is 46.7 secs Computing kpt #: 180 total cpu time spent up to now is 46.9 secs Computing kpt #: 181 total cpu time spent up to now is 47.1 secs Computing kpt #: 182 total cpu time spent up to now is 47.4 secs Computing kpt #: 183 total cpu time spent up to now is 47.6 secs Computing kpt #: 184 total cpu time spent up to now is 47.8 secs Computing kpt #: 185 total cpu time spent up to now is 48.0 secs Computing kpt #: 186 total cpu time spent up to now is 48.2 secs Computing kpt #: 187 total cpu time spent up to now is 48.4 secs Computing kpt #: 188 total cpu time spent up to now is 48.6 secs Computing kpt #: 189 total cpu time spent up to now is 48.9 secs Computing kpt #: 190 total cpu time spent up to now is 49.1 secs Computing kpt #: 191 total cpu time spent up to now is 49.3 secs Computing kpt #: 192 total cpu time spent up to now is 49.5 secs Computing kpt #: 193 total cpu time spent up to now is 49.7 secs Computing kpt #: 194 total cpu time spent up to now is 50.0 secs Computing kpt #: 195 total cpu time spent up to now is 50.2 secs Computing kpt #: 196 total cpu time spent up to now is 50.4 secs Computing kpt #: 197 total cpu time spent up to now is 50.7 secs Computing kpt #: 198 total cpu time spent up to now is 50.9 secs Computing kpt #: 199 total cpu time spent up to now is 51.2 secs Computing kpt #: 200 total cpu time spent up to now is 51.4 secs Computing kpt #: 201 total cpu time spent up to now is 51.7 secs Computing kpt #: 202 total cpu time spent up to now is 51.9 secs Computing kpt #: 203 total cpu time spent up to now is 52.2 secs Computing kpt #: 204 total cpu time spent up to now is 52.4 secs Computing kpt #: 205 total cpu time spent up to now is 52.7 secs Computing kpt #: 206 total cpu time spent up to now is 52.9 secs Computing kpt #: 207 total cpu time spent up to now is 53.2 secs Computing kpt #: 208 total cpu time spent up to now is 53.5 secs Computing kpt #: 209 total cpu time spent up to now is 53.7 secs Computing kpt #: 210 total cpu time spent up to now is 54.0 secs Computing kpt #: 211 total cpu time spent up to now is 54.3 secs Computing kpt #: 212 total cpu time spent up to now is 54.6 secs Computing kpt #: 213 total cpu time spent up to now is 54.9 secs Computing kpt #: 214 total cpu time spent up to now is 55.2 secs Computing kpt #: 215 total cpu time spent up to now is 55.5 secs Computing kpt #: 216 total cpu time spent up to now is 55.8 secs Computing kpt #: 217 total cpu time spent up to now is 56.2 secs Computing kpt #: 218 total cpu time spent up to now is 56.6 secs Computing kpt #: 219 total cpu time spent up to now is 57.0 secs Computing kpt #: 220 total cpu time spent up to now is 57.4 secs Computing kpt #: 221 total cpu time spent up to now is 57.7 secs Computing kpt #: 222 total cpu time spent up to now is 58.0 secs Computing kpt #: 223 total cpu time spent up to now is 58.3 secs Computing kpt #: 224 total cpu time spent up to now is 58.6 secs Computing kpt #: 225 total cpu time spent up to now is 58.9 secs Computing kpt #: 226 total cpu time spent up to now is 59.2 secs Computing kpt #: 227 total cpu time spent up to now is 59.5 secs Computing kpt #: 228 total cpu time spent up to now is 60.1 secs Computing kpt #: 229 total cpu time spent up to now is 60.5 secs Computing kpt #: 230 total cpu time spent up to now is 60.9 secs Computing kpt #: 231 total cpu time spent up to now is 61.4 secs Computing kpt #: 232 total cpu time spent up to now is 61.8 secs Computing kpt #: 233 total cpu time spent up to now is 62.3 secs Computing kpt #: 234 total cpu time spent up to now is 62.7 secs Computing kpt #: 235 total cpu time spent up to now is 63.1 secs Computing kpt #: 236 total cpu time spent up to now is 63.5 secs Computing kpt #: 237 total cpu time spent up to now is 64.0 secs Computing kpt #: 238 total cpu time spent up to now is 64.4 secs Computing kpt #: 239 total cpu time spent up to now is 64.9 secs Computing kpt #: 240 total cpu time spent up to now is 65.3 secs Computing kpt #: 241 total cpu time spent up to now is 65.7 secs Computing kpt #: 242 total cpu time spent up to now is 66.1 secs Computing kpt #: 243 total cpu time spent up to now is 66.5 secs Computing kpt #: 244 total cpu time spent up to now is 66.9 secs Computing kpt #: 245 total cpu time spent up to now is 67.3 secs Computing kpt #: 246 total cpu time spent up to now is 67.7 secs Computing kpt #: 247 total cpu time spent up to now is 68.1 secs Computing kpt #: 248 total cpu time spent up to now is 68.5 secs Computing kpt #: 249 total cpu time spent up to now is 68.9 secs Computing kpt #: 250 total cpu time spent up to now is 69.2 secs Computing kpt #: 251 total cpu time spent up to now is 69.5 secs Computing kpt #: 252 total cpu time spent up to now is 69.8 secs Computing kpt #: 253 total cpu time spent up to now is 70.0 secs Computing kpt #: 254 total cpu time spent up to now is 70.3 secs Computing kpt #: 255 total cpu time spent up to now is 70.6 secs Computing kpt #: 256 total cpu time spent up to now is 70.9 secs Computing kpt #: 257 total cpu time spent up to now is 71.2 secs Computing kpt #: 258 total cpu time spent up to now is 71.5 secs Computing kpt #: 259 total cpu time spent up to now is 71.8 secs Computing kpt #: 260 total cpu time spent up to now is 72.1 secs Computing kpt #: 261 total cpu time spent up to now is 72.4 secs Computing kpt #: 262 total cpu time spent up to now is 72.7 secs Computing kpt #: 263 total cpu time spent up to now is 73.0 secs Computing kpt #: 264 total cpu time spent up to now is 73.2 secs Computing kpt #: 265 total cpu time spent up to now is 73.5 secs Computing kpt #: 266 total cpu time spent up to now is 73.8 secs Computing kpt #: 267 total cpu time spent up to now is 74.1 secs Computing kpt #: 268 total cpu time spent up to now is 74.4 secs Computing kpt #: 269 total cpu time spent up to now is 74.7 secs Computing kpt #: 270 total cpu time spent up to now is 74.9 secs Computing kpt #: 271 total cpu time spent up to now is 75.2 secs Computing kpt #: 272 total cpu time spent up to now is 75.5 secs Computing kpt #: 273 total cpu time spent up to now is 75.9 secs Computing kpt #: 274 total cpu time spent up to now is 76.2 secs Computing kpt #: 275 total cpu time spent up to now is 76.5 secs Computing kpt #: 276 total cpu time spent up to now is 76.7 secs Computing kpt #: 277 total cpu time spent up to now is 77.0 secs Computing kpt #: 278 total cpu time spent up to now is 77.3 secs Computing kpt #: 279 total cpu time spent up to now is 77.6 secs Computing kpt #: 280 total cpu time spent up to now is 77.8 secs Computing kpt #: 281 total cpu time spent up to now is 78.1 secs Computing kpt #: 282 total cpu time spent up to now is 78.4 secs Computing kpt #: 283 total cpu time spent up to now is 78.6 secs Computing kpt #: 284 total cpu time spent up to now is 78.8 secs Computing kpt #: 285 total cpu time spent up to now is 79.1 secs Computing kpt #: 286 total cpu time spent up to now is 79.8 secs Computing kpt #: 287 total cpu time spent up to now is 80.6 secs Computing kpt #: 288 total cpu time spent up to now is 81.1 secs Computing kpt #: 289 total cpu time spent up to now is 81.7 secs Computing kpt #: 290 total cpu time spent up to now is 82.1 secs Computing kpt #: 291 total cpu time spent up to now is 82.5 secs Computing kpt #: 292 total cpu time spent up to now is 82.8 secs Computing kpt #: 293 total cpu time spent up to now is 83.1 secs Computing kpt #: 294 total cpu time spent up to now is 83.4 secs Computing kpt #: 295 total cpu time spent up to now is 83.7 secs Computing kpt #: 296 total cpu time spent up to now is 84.0 secs Computing kpt #: 297 total cpu time spent up to now is 84.3 secs Computing kpt #: 298 total cpu time spent up to now is 84.6 secs Computing kpt #: 299 total cpu time spent up to now is 84.9 secs Computing kpt #: 300 total cpu time spent up to now is 85.3 secs Computing kpt #: 301 total cpu time spent up to now is 85.7 secs Computing kpt #: 302 total cpu time spent up to now is 86.1 secs Computing kpt #: 303 total cpu time spent up to now is 86.5 secs Computing kpt #: 304 total cpu time spent up to now is 86.9 secs Computing kpt #: 305 total cpu time spent up to now is 87.3 secs Computing kpt #: 306 total cpu time spent up to now is 87.7 secs Computing kpt #: 307 total cpu time spent up to now is 88.1 secs Computing kpt #: 308 total cpu time spent up to now is 88.5 secs Computing kpt #: 309 total cpu time spent up to now is 88.8 secs Computing kpt #: 310 total cpu time spent up to now is 89.3 secs Computing kpt #: 311 total cpu time spent up to now is 89.7 secs Computing kpt #: 312 total cpu time spent up to now is 90.1 secs Computing kpt #: 313 total cpu time spent up to now is 90.5 secs Computing kpt #: 314 total cpu time spent up to now is 90.9 secs Computing kpt #: 315 total cpu time spent up to now is 91.4 secs Computing kpt #: 316 total cpu time spent up to now is 91.8 secs Computing kpt #: 317 total cpu time spent up to now is 92.2 secs Computing kpt #: 318 total cpu time spent up to now is 92.6 secs Computing kpt #: 319 total cpu time spent up to now is 92.9 secs Computing kpt #: 320 total cpu time spent up to now is 93.3 secs Computing kpt #: 321 total cpu time spent up to now is 93.6 secs Computing kpt #: 322 total cpu time spent up to now is 93.9 secs Computing kpt #: 323 total cpu time spent up to now is 94.3 secs Computing kpt #: 324 total cpu time spent up to now is 94.6 secs Computing kpt #: 325 total cpu time spent up to now is 94.9 secs Computing kpt #: 326 total cpu time spent up to now is 95.2 secs Computing kpt #: 327 total cpu time spent up to now is 95.5 secs Computing kpt #: 328 total cpu time spent up to now is 95.8 secs ethr = 2.94E-08, avg # of iterations = 22.0 total cpu time spent up to now is 95.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1839 PWs) bands (ev): 4.8463 4.8463 7.7899 7.7899 7.7899 7.7899 8.8325 8.8325 8.8325 8.8325 9.1545 9.1545 9.8187 9.8187 11.9406 11.9406 11.9406 11.9406 12.1316 12.1316 13.3170 13.3170 13.3170 13.3170 14.1615 14.1615 14.1615 14.1615 14.2638 14.2638 14.4750 14.4750 14.4859 14.4859 14.4859 14.4859 14.6062 14.6062 14.6062 14.6062 14.7713 14.7713 k = 0.0000 0.0116-0.0000 ( 1843 PWs) bands (ev): 4.8480 4.8480 7.7906 7.7906 7.7908 7.7908 8.8330 8.8330 8.8331 8.8331 9.1551 9.1551 9.8192 9.8192 11.9403 11.9403 11.9410 11.9410 12.1317 12.1317 13.3160 13.3160 13.3172 13.3172 14.1588 14.1588 14.1608 14.1608 14.2630 14.2630 14.4715 14.4715 14.4809 14.4809 14.4848 14.4848 14.5985 14.5985 14.6053 14.6053 14.7667 14.7667 k = 0.0000 0.0233-0.0000 ( 1847 PWs) bands (ev): 4.8531 4.8531 7.7927 7.7927 7.7936 7.7936 8.8347 8.8347 8.8351 8.8351 9.1569 9.1569 9.8210 9.8210 11.9394 11.9394 11.9421 11.9421 12.1319 12.1319 13.3132 13.3132 13.3180 13.3180 14.1503 14.1503 14.1587 14.1587 14.2607 14.2607 14.4593 14.4593 14.4656 14.4656 14.4817 14.4817 14.5793 14.5793 14.6030 14.6030 14.7538 14.7538 k = 0.0000 0.0349-0.0000 ( 1847 PWs) bands (ev): 4.8617 4.8617 7.7962 7.7962 7.7983 7.7983 8.8376 8.8376 8.8384 8.8384 9.1601 9.1601 9.8240 9.8240 11.9379 11.9379 11.9441 11.9441 12.1323 12.1323 13.3085 13.3085 13.3192 13.3192 14.1354 14.1354 14.1551 14.1551 14.2570 14.2570 14.4349 14.4349 14.4392 14.4392 14.4761 14.4761 14.5577 14.5577 14.5991 14.5991 14.7356 14.7356 k = 0.0000 0.0465-0.0000 ( 1847 PWs) bands (ev): 4.8736 4.8736 7.8010 7.8010 7.8049 7.8049 8.8416 8.8416 8.8430 8.8430 9.1645 9.1645 9.8282 9.8282 11.9356 11.9356 11.9469 11.9469 12.1331 12.1331 13.3019 13.3019 13.3210 13.3210 14.1122 14.1122 14.1496 14.1496 14.2515 14.2515 14.3970 14.3970 14.4015 14.4015 14.4680 14.4680 14.5417 14.5417 14.5937 14.5937 14.7154 14.7154 k = 0.0000 0.0581-0.0000 ( 1847 PWs) bands (ev): 4.8889 4.8889 7.8072 7.8072 7.8132 7.8132 8.8467 8.8467 8.8489 8.8489 9.1701 9.1701 9.8336 9.8336 11.9325 11.9325 11.9504 11.9504 12.1343 12.1343 13.2935 13.2935 13.3233 13.3233 14.0785 14.0785 14.1419 14.1419 14.2436 14.2436 14.3516 14.3516 14.3541 14.3541 14.4573 14.4573 14.5321 14.5321 14.5867 14.5867 14.6958 14.6958 k = 0.0000 0.0698-0.0000 ( 1843 PWs) bands (ev): 4.9076 4.9076 7.8147 7.8147 7.8234 7.8234 8.8530 8.8530 8.8562 8.8562 9.1770 9.1770 9.8403 9.8403 11.9285 11.9285 11.9547 11.9547 12.1360 12.1360 13.2831 13.2831 13.3261 13.3261 14.0321 14.0321 14.1304 14.1304 14.2306 14.2306 14.3022 14.3022 14.3064 14.3064 14.4441 14.4441 14.5265 14.5265 14.5777 14.5777 14.6783 14.6783 k = 0.0000 0.0814-0.0000 ( 1851 PWs) bands (ev): 4.9296 4.9296 7.8236 7.8236 7.8352 7.8352 8.8603 8.8603 8.8646 8.8646 9.1851 9.1851 9.8481 9.8481 11.9233 11.9233 11.9594 11.9594 12.1383 12.1383 13.2704 13.2704 13.3294 13.3294 13.9727 13.9727 14.1111 14.1111 14.2038 14.2038 14.2609 14.2609 14.2658 14.2658 14.4283 14.4283 14.5229 14.5229 14.5663 14.5663 14.6634 14.6634 k = 0.0000 0.0930-0.0000 ( 1847 PWs) bands (ev): 4.9549 4.9549 7.8337 7.8337 7.8488 7.8488 8.8688 8.8688 8.8744 8.8744 9.1945 9.1945 9.8569 9.8569 11.9171 11.9171 11.9650 11.9650 12.1416 12.1416 13.2560 13.2560 13.3331 13.3331 13.9025 13.9025 14.0734 14.0734 14.1661 14.1661 14.2305 14.2305 14.2399 14.2399 14.4102 14.4102 14.5206 14.5206 14.5524 14.5524 14.6512 14.6512 k = 0.0000 0.1047-0.0000 ( 1847 PWs) bands (ev): 4.9836 4.9836 7.8450 7.8450 7.8639 7.8639 8.8783 8.8783 8.8853 8.8853 9.2050 9.2050 9.8669 9.8669 11.9095 11.9095 11.9712 11.9712 12.1457 12.1457 13.2395 13.2395 13.3373 13.3373 13.8246 13.8246 14.0106 14.0106 14.1386 14.1386 14.1989 14.1989 14.2265 14.2265 14.3897 14.3897 14.5189 14.5189 14.5356 14.5356 14.6413 14.6413 k = 0.0000 0.1163-0.0000 ( 1847 PWs) bands (ev): 5.0154 5.0154 7.8575 7.8575 7.8807 7.8807 8.8889 8.8889 8.8975 8.8975 9.2169 9.2169 9.8780 9.8780 11.9005 11.9005 11.9777 11.9777 12.1505 12.1505 13.2208 13.2208 13.3419 13.3419 13.7421 13.7421 13.9331 13.9331 14.1187 14.1187 14.1694 14.1694 14.2147 14.2147 14.3668 14.3668 14.5162 14.5162 14.5179 14.5179 14.6333 14.6333 k = 0.0000 0.1279-0.0000 ( 1847 PWs) bands (ev): 5.0505 5.0505 7.8712 7.8712 7.8989 7.8989 8.9004 8.9004 8.9107 8.9107 9.2298 9.2298 9.8901 9.8901 11.8902 11.8902 11.9848 11.9848 12.1565 12.1565 13.1998 13.1998 13.3469 13.3469 13.6571 13.6571 13.8490 13.8490 14.1007 14.1007 14.1405 14.1405 14.2031 14.2031 14.3418 14.3418 14.4945 14.4945 14.5169 14.5169 14.6267 14.6267 k = 0.0000 0.1395-0.0000 ( 1847 PWs) bands (ev): 5.0888 5.0888 7.8859 7.8859 7.9186 7.9186 8.9130 8.9130 8.9251 8.9251 9.2439 9.2439 9.9032 9.9032 11.8787 11.8787 11.9922 11.9922 12.1634 12.1634 13.1761 13.1761 13.3523 13.3523 13.5715 13.5715 13.7620 13.7620 14.0824 14.0824 14.1113 14.1113 14.1912 14.1912 14.3145 14.3145 14.4708 14.4708 14.5162 14.5162 14.6212 14.6212 k = 0.0000 0.1512-0.0000 ( 1847 PWs) bands (ev): 5.1302 5.1302 7.9016 7.9016 7.9395 7.9395 8.9264 8.9264 8.9404 8.9404 9.2592 9.2592 9.9173 9.9173 11.8658 11.8658 11.9998 11.9998 12.1713 12.1713 13.1496 13.1496 13.3577 13.3577 13.4867 13.4867 13.6738 13.6738 14.0631 14.0631 14.0813 14.0813 14.1788 14.1788 14.2849 14.2849 14.4453 14.4453 14.5155 14.5155 14.6164 14.6164 k = 0.0000 0.1628-0.0000 ( 1839 PWs) bands (ev): 5.1747 5.1747 7.9183 7.9183 7.9616 7.9616 8.9408 8.9408 8.9567 8.9567 9.2756 9.2756 9.9323 9.9323 11.8517 11.8517 12.0076 12.0076 12.1802 12.1802 13.1197 13.1197 13.3629 13.3629 13.4040 13.4040 13.5861 13.5861 14.0425 14.0425 14.0500 14.0500 14.1659 14.1659 14.2530 14.2530 14.4185 14.4185 14.5148 14.5148 14.6122 14.6122 k = 0.0000 0.1744-0.0000 ( 1839 PWs) bands (ev): 5.2222 5.2222 7.9359 7.9359 7.9848 7.9848 8.9561 8.9561 8.9738 8.9738 9.2931 9.2931 9.9483 9.9483 11.8365 11.8365 12.0149 12.0149 12.1895 12.1895 13.0855 13.0855 13.3248 13.3248 13.3663 13.3663 13.5008 13.5008 14.0169 14.0169 14.0206 14.0206 14.1521 14.1521 14.2184 14.2184 14.3905 14.3905 14.5138 14.5138 14.6085 14.6085 k = 0.0000 0.1860-0.0000 ( 1839 PWs) bands (ev): 5.2726 5.2726 7.9543 7.9543 8.0088 8.0088 8.9722 8.9722 8.9917 8.9917 9.3117 9.3117 9.9652 9.9652 11.8201 11.8201 12.0216 12.0216 12.1992 12.1992 13.0462 13.0462 13.2505 13.2505 13.3582 13.3582 13.4284 13.4284 13.9814 13.9814 13.9972 13.9972 14.1374 14.1374 14.1805 14.1805 14.3617 14.3617 14.4884 14.4884 14.5188 14.5188 k = 0.0000 0.1977-0.0000 ( 1851 PWs) bands (ev): 5.3258 5.3258 7.9733 7.9733 8.0337 8.0337 8.9890 8.9890 9.0102 9.0102 9.3313 9.3313 9.9830 9.9830 11.8025 11.8025 12.0272 12.0272 12.2091 12.2091 13.0009 13.0009 13.1823 13.1823 13.3043 13.3043 13.4033 13.4033 13.9424 13.9424 13.9726 13.9726 14.1214 14.1214 14.1377 14.1377 14.3324 14.3324 14.3665 14.3665 14.5150 14.5150 k = 0.0000 0.2093-0.0000 ( 1851 PWs) bands (ev): 5.3818 5.3818 7.9930 7.9930 8.0592 8.0592 9.0065 9.0065 9.0292 9.0292 9.3519 9.3519 10.0016 10.0016 11.7843 11.7843 12.0314 12.0314 12.2190 12.2190 12.9499 12.9499 13.1206 13.1206 13.2263 13.2263 13.4051 13.4051 13.8979 13.8979 13.9469 13.9469 14.0864 14.0864 14.1040 14.1040 14.2540 14.2540 14.3031 14.3031 14.5144 14.5144 k = 0.0000 0.2209-0.0000 ( 1843 PWs) bands (ev): 5.4405 5.4405 8.0133 8.0133 8.0852 8.0852 9.0248 9.0248 9.0486 9.0486 9.3735 9.3735 10.0214 10.0214 11.7653 11.7653 12.0334 12.0334 12.2285 12.2285 12.8950 12.8950 13.0641 13.0641 13.1469 13.1469 13.4116 13.4116 13.8435 13.8435 13.9202 13.9202 14.0226 14.0226 14.0847 14.0847 14.1635 14.1635 14.2741 14.2741 14.5141 14.5141 k = 0.0000 0.2326-0.0000 ( 1835 PWs) bands (ev): 5.5018 5.5018 8.0340 8.0340 8.1114 8.1114 9.0435 9.0435 9.0680 9.0680 9.3961 9.3961 10.0418 10.0418 11.7458 11.7458 12.0326 12.0326 12.2371 12.2371 12.8391 12.8391 13.0103 13.0103 13.0698 13.0698 13.4195 13.4195 13.7728 13.7728 13.8927 13.8927 13.9527 13.9527 14.0633 14.0633 14.0970 14.0970 14.2460 14.2460 14.5139 14.5139 k = 0.0000 0.2442-0.0000 ( 1835 PWs) bands (ev): 5.5655 5.5655 8.0550 8.0550 8.1378 8.1378 9.0628 9.0628 9.0874 9.0874 9.4195 9.4195 10.0632 10.0632 11.7256 11.7256 12.0277 12.0277 12.2436 12.2436 12.7852 12.7852 12.9565 12.9565 12.9965 12.9965 13.4279 13.4279 13.6838 13.6838 13.8646 13.8646 13.8905 13.8905 14.0394 14.0394 14.0441 14.0441 14.2191 14.2191 14.5137 14.5137 k = 0.0000 0.2558-0.0000 ( 1835 PWs) bands (ev): 5.6315 5.6315 8.0763 8.0763 8.1640 8.1640 9.0825 9.0825 9.1064 9.1064 9.4437 9.4437 10.0855 10.0855 11.7050 11.7050 12.0176 12.0176 12.2473 12.2473 12.7359 12.7359 12.9003 12.9003 12.9286 12.9286 13.4366 13.4366 13.5842 13.5842 13.8361 13.8361 13.8384 13.8384 13.9968 13.9968 14.0128 14.0128 14.1937 14.1937 14.5135 14.5135 k = 0.0000 0.2674-0.0000 ( 1847 PWs) bands (ev): 5.6996 5.6996 8.0977 8.0977 8.1898 8.1898 9.1024 9.1024 9.1248 9.1248 9.4686 9.4686 10.1088 10.1088 11.6841 11.6841 12.0013 12.0013 12.2466 12.2466 12.6933 12.6933 12.8397 12.8397 12.8673 12.8673 13.4454 13.4454 13.4832 13.4832 13.7925 13.7925 13.8074 13.8074 13.9516 13.9516 13.9834 13.9834 14.1701 14.1701 14.5133 14.5133 k = 0.0000 0.2791-0.0000 ( 1839 PWs) bands (ev): 5.7697 5.7697 8.1191 8.1191 8.2150 8.2150 9.1227 9.1227 9.1425 9.1425 9.4942 9.4942 10.1332 10.1332 11.6629 11.6629 11.9784 11.9784 12.2404 12.2404 12.6591 12.6591 12.7734 12.7734 12.8149 12.8149 13.3872 13.3872 13.4542 13.4542 13.7500 13.7500 13.7792 13.7792 13.9073 13.9073 13.9516 13.9516 14.1481 14.1481 14.5132 14.5132 k = 0.0000 0.2907-0.0000 ( 1839 PWs) bands (ev): 5.8416 5.8416 8.1405 8.1405 8.2394 8.2394 9.1430 9.1430 9.1589 9.1589 9.5205 9.5205 10.1589 10.1589 11.6418 11.6418 11.9484 11.9484 12.2268 12.2268 12.6338 12.6338 12.7004 12.7004 12.7727 12.7727 13.2993 13.2993 13.4627 13.4627 13.7091 13.7091 13.7512 13.7512 13.8633 13.8633 13.9175 13.9175 14.1277 14.1277 14.5131 14.5131 k = 0.0000 0.3023-0.0000 ( 1847 PWs) bands (ev): 5.9151 5.9151 8.1615 8.1615 8.2625 8.2625 9.1633 9.1633 9.1739 9.1739 9.5471 9.5471 10.1858 10.1858 11.6206 11.6206 11.9116 11.9116 12.2048 12.2048 12.6137 12.6137 12.6241 12.6241 12.7420 12.7420 13.2212 13.2212 13.4706 13.4706 13.6694 13.6694 13.7238 13.7238 13.8195 13.8195 13.8817 13.8817 14.1085 14.1085 14.5130 14.5130 k = 0.0000 0.3140-0.0000 ( 1847 PWs) bands (ev): 5.9899 5.9899 8.1823 8.1823 8.2842 8.2842 9.1836 9.1836 9.1872 9.1872 9.5742 9.5742 10.2143 10.2143 11.5997 11.5997 11.8694 11.8694 12.1745 12.1745 12.5339 12.5339 12.6101 12.6101 12.7230 12.7230 13.1531 13.1531 13.4775 13.4775 13.6308 13.6308 13.6979 13.6979 13.7756 13.7756 13.8446 13.8446 14.0903 14.0903 14.5129 14.5129 k = 0.0000 0.3256-0.0000 ( 1847 PWs) bands (ev): 6.0657 6.0657 8.2025 8.2025 8.3041 8.3041 9.1986 9.1986 9.2036 9.2036 9.6014 9.6014 10.2443 10.2443 11.5791 11.5791 11.8227 11.8227 12.1369 12.1369 12.4440 12.4440 12.6089 12.6089 12.7148 12.7148 13.0941 13.0941 13.4827 13.4827 13.5931 13.5931 13.6739 13.6739 13.7318 13.7318 13.8068 13.8068 14.0728 14.0728 14.5129 14.5129 k = 0.0000 0.3372-0.0000 ( 1847 PWs) bands (ev): 6.1421 6.1421 8.2223 8.2223 8.3219 8.3219 9.2078 9.2078 9.2233 9.2233 9.6288 9.6288 10.2761 10.2761 11.5589 11.5589 11.7731 11.7731 12.0938 12.0938 12.3517 12.3517 12.6137 12.6137 12.7156 12.7156 13.0430 13.0430 13.4854 13.4854 13.5565 13.5565 13.6526 13.6526 13.6882 13.6882 13.7689 13.7689 14.0561 14.0561 14.5128 14.5128 k = 0.0000 0.3488-0.0000 ( 1843 PWs) bands (ev): 6.2189 6.2189 8.2413 8.2413 8.3372 8.3372 9.2148 9.2148 9.2424 9.2424 9.6561 9.6561 10.3097 10.3097 11.5393 11.5393 11.7217 11.7217 12.0472 12.0472 12.2590 12.2590 12.6233 12.6233 12.7237 12.7237 12.9989 12.9989 13.4847 13.4847 13.5210 13.5210 13.6341 13.6341 13.6448 13.6448 13.7321 13.7321 14.0398 14.0398 14.5128 14.5128 k = 0.0000 0.3605-0.0000 ( 1851 PWs) bands (ev): 6.2955 6.2955 8.2594 8.2594 8.3497 8.3497 9.2195 9.2195 9.2610 9.2610 9.6830 9.6830 10.3453 10.3453 11.5204 11.5204 11.6697 11.6697 11.9990 11.9990 12.1674 12.1674 12.6366 12.6366 12.7373 12.7373 12.9603 12.9603 13.4797 13.4797 13.4868 13.4868 13.6013 13.6013 13.6173 13.6173 13.6981 13.6981 14.0240 14.0240 14.5127 14.5127 k = 0.0000 0.3721-0.0000 ( 1851 PWs) bands (ev): 6.3715 6.3715 8.2766 8.2766 8.3592 8.3592 9.2221 9.2221 9.2787 9.2787 9.7094 9.7094 10.3827 10.3827 11.5023 11.5023 11.6177 11.6177 11.9505 11.9505 12.0783 12.0783 12.6526 12.6526 12.7553 12.7553 12.9270 12.9270 13.4542 13.4542 13.4705 13.4705 13.5586 13.5586 13.5982 13.5982 13.6723 13.6723 14.0086 14.0086 14.5127 14.5127 k = 0.0000 0.3837-0.0000 ( 1843 PWs) bands (ev): 6.4462 6.4462 8.2928 8.2928 8.3653 8.3653 9.2228 9.2228 9.2956 9.2956 9.7352 9.7352 10.4222 10.4222 11.4853 11.4853 11.5667 11.5667 11.9032 11.9032 11.9928 11.9928 12.6704 12.6704 12.7765 12.7765 12.8986 12.8986 13.4233 13.4233 13.4582 13.4582 13.5165 13.5165 13.5717 13.5717 13.6586 13.6586 13.9938 13.9938 14.5127 14.5127 k = 0.0000 0.3953-0.0000 ( 1836 PWs) bands (ev): 6.5189 6.5189 8.3078 8.3078 8.3681 8.3681 9.2218 9.2218 9.3114 9.3114 9.7599 9.7599 10.4635 10.4635 11.4693 11.4693 11.5166 11.5166 11.8579 11.8579 11.9120 11.9120 12.6889 12.6889 12.8003 12.8003 12.8752 12.8752 13.3943 13.3943 13.4439 13.4439 13.4752 13.4752 13.5387 13.5387 13.6552 13.6552 13.9793 13.9793 14.5127 14.5127 k = 0.0000 0.4070-0.0000 ( 1836 PWs) bands (ev): 6.5889 6.5889 8.3216 8.3216 8.3675 8.3675 9.2197 9.2197 9.3260 9.3260 9.7832 9.7832 10.5064 10.5064 11.4546 11.4546 11.4676 11.4676 11.8151 11.8151 11.8367 11.8367 12.7065 12.7065 12.8258 12.8258 12.8575 12.8575 13.3676 13.3676 13.4286 13.4286 13.4348 13.4348 13.5029 13.5029 13.6577 13.6577 13.9655 13.9655 14.5127 14.5127 k = 0.0000 0.4186-0.0000 ( 1844 PWs) bands (ev): 6.6551 6.6551 8.3339 8.3339 8.3637 8.3637 9.2167 9.2167 9.3392 9.3392 9.8049 9.8049 10.5505 10.5505 11.4198 11.4198 11.4412 11.4412 11.7679 11.7679 11.7755 11.7755 12.7210 12.7210 12.8470 12.8470 12.8526 12.8526 13.3431 13.3431 13.3958 13.3958 13.4130 13.4130 13.4668 13.4668 13.6631 13.6631 13.9522 13.9522 14.5125 14.5125 k = 0.0000 0.4302-0.0000 ( 1844 PWs) bands (ev): 6.7165 6.7165 8.3449 8.3449 8.3574 8.3574 9.2133 9.2133 9.3509 9.3509 9.8246 9.8246 10.5953 10.5953 11.3731 11.3731 11.4297 11.4297 11.7064 11.7064 11.7399 11.7399 12.7303 12.7303 12.8453 12.8453 12.8801 12.8801 13.3213 13.3213 13.3587 13.3587 13.3968 13.3968 13.4327 13.4327 13.6700 13.6700 13.9398 13.9398 14.5125 14.5125 k = 0.0000 0.4419-0.0000 ( 1844 PWs) bands (ev): 6.7718 6.7718 8.3491 8.3491 8.3542 8.3542 9.2099 9.2099 9.3611 9.3611 9.8421 9.8421 10.6403 10.6403 11.3275 11.3275 11.4194 11.4194 11.6536 11.6536 11.7090 11.7090 12.7333 12.7333 12.8525 12.8525 12.9076 12.9076 13.3020 13.3020 13.3242 13.3242 13.3769 13.3769 13.4051 13.4051 13.6773 13.6773 13.9285 13.9285 14.5125 14.5125 k = 0.0000 0.4535-0.0000 ( 1844 PWs) bands (ev): 6.8198 6.8198 8.3400 8.3400 8.3620 8.3620 9.2068 9.2068 9.3696 9.3696 9.8569 9.8569 10.6841 10.6841 11.2837 11.2837 11.4109 11.4109 11.6099 11.6099 11.6830 11.6830 12.7319 12.7319 12.8658 12.8658 12.9342 12.9342 13.2835 13.2835 13.2949 13.2949 13.3507 13.3507 13.3879 13.3879 13.6844 13.6844 13.9184 13.9184 14.5125 14.5125 k = 0.0000 0.4651-0.0000 ( 1848 PWs) bands (ev): 6.8590 6.8590 8.3311 8.3311 8.3681 8.3681 9.2042 9.2042 9.3763 9.3763 9.8688 9.8688 10.7249 10.7249 11.2430 11.2430 11.4041 11.4041 11.5760 11.5760 11.6623 11.6623 12.7287 12.7287 12.8813 12.8813 12.9587 12.9587 13.2605 13.2605 13.2775 13.2775 13.3235 13.3235 13.3771 13.3771 13.6907 13.6907 13.9100 13.9100 14.5125 14.5125 k = 0.0000 0.4767-0.0000 ( 1840 PWs) bands (ev): 6.8882 6.8882 8.3236 8.3236 8.3725 8.3725 9.2023 9.2023 9.3812 9.3812 9.8775 9.8775 10.7595 10.7595 11.2083 11.2083 11.3992 11.3992 11.5518 11.5518 11.6474 11.6474 12.7259 12.7259 12.8957 12.8957 12.9793 12.9793 13.2393 13.2393 13.2678 13.2678 13.3003 13.3003 13.3702 13.3702 13.6957 13.6957 13.9036 13.9036 14.5125 14.5125 k = 0.0000 0.4884-0.0000 ( 1840 PWs) bands (ev): 6.9062 6.9062 8.3187 8.3187 8.3752 8.3752 9.2011 9.2011 9.3841 9.3841 9.8828 9.8828 10.7837 10.7837 11.1841 11.1841 11.3962 11.3962 11.5374 11.5374 11.6383 11.6383 12.7237 12.7237 12.9058 12.9058 12.9933 12.9933 13.2250 13.2250 13.2621 13.2621 13.2845 13.2845 13.3662 13.3662 13.6989 13.6989 13.8996 13.8996 14.5125 14.5125 k = 0.0000 0.5000-0.0000 ( 1840 PWs) bands (ev): 6.9123 6.9123 8.3169 8.3169 8.3760 8.3760 9.2007 9.2007 9.3851 9.3851 9.8846 9.8846 10.7925 10.7925 11.1752 11.1752 11.3952 11.3952 11.5326 11.5326 11.6353 11.6353 12.7229 12.7229 12.9095 12.9095 12.9983 12.9983 13.2200 13.2200 13.2602 13.2602 13.2789 13.2789 13.3648 13.3648 13.7000 13.7000 13.8983 13.8983 14.5125 14.5125 k = 0.0000 0.5000-0.0000 ( 1840 PWs) bands (ev): 6.9123 6.9123 8.3169 8.3169 8.3760 8.3760 9.2007 9.2007 9.3851 9.3851 9.8846 9.8846 10.7925 10.7925 11.1752 11.1752 11.3952 11.3952 11.5326 11.5326 11.6353 11.6353 12.7229 12.7229 12.9095 12.9095 12.9983 12.9983 13.2200 13.2200 13.2602 13.2602 13.2789 13.2789 13.3648 13.3648 13.7000 13.7000 13.8983 13.8983 14.5125 14.5125 k = 0.0116 0.5000-0.0000 ( 1840 PWs) bands (ev): 6.9139 6.9139 8.3167 8.3167 8.3772 8.3772 9.2009 9.2009 9.3856 9.3856 9.8845 9.8845 10.7933 10.7933 11.1734 11.1734 11.3955 11.3955 11.5328 11.5328 11.6353 11.6353 12.7166 12.7166 12.9131 12.9131 13.0011 13.0011 13.2162 13.2162 13.2579 13.2579 13.2840 13.2840 13.3649 13.3649 13.7015 13.7015 13.8987 13.8987 14.5114 14.5115 k = 0.0233 0.5000-0.0000 ( 1840 PWs) bands (ev): 6.9186 6.9186 8.3161 8.3161 8.3808 8.3808 9.2017 9.2017 9.3871 9.3871 9.8843 9.8843 10.7955 10.7955 11.1681 11.1681 11.3963 11.3963 11.5332 11.5332 11.6356 11.6356 12.6995 12.6995 12.9216 12.9216 13.0097 13.0097 13.2059 13.2059 13.2549 13.2549 13.2940 13.2940 13.3652 13.3652 13.7059 13.7059 13.9001 13.9001 14.5082 14.5083 k = 0.0349 0.5000-0.0000 ( 1848 PWs) bands (ev): 6.9266 6.9266 8.3153 8.3153 8.3864 8.3864 9.2030 9.2030 9.3895 9.3895 9.8839 9.8839 10.7993 10.7993 11.1595 11.1595 11.3974 11.3974 11.5339 11.5339 11.6359 11.6359 12.6752 12.6752 12.9308 12.9308 13.0247 13.0247 13.1916 13.1916 13.2530 13.2530 13.3046 13.3046 13.3656 13.3656 13.7133 13.7133 13.9023 13.9023 14.5029 14.5029 k = 0.0465 0.5000-0.0000 ( 1854 PWs) bands (ev): 6.9377 6.9377 8.3144 8.3144 8.3941 8.3941 9.2048 9.2048 9.3930 9.3930 9.8835 9.8835 10.8045 10.8045 11.1478 11.1478 11.3992 11.3992 11.5346 11.5346 11.6363 11.6363 12.6468 12.6468 12.9380 12.9380 13.0454 13.0454 13.1751 13.1751 13.2517 13.2517 13.3145 13.3145 13.3662 13.3662 13.7238 13.7238 13.9058 13.9058 14.4955 14.4955 k = 0.0581 0.5000-0.0000 ( 1846 PWs) bands (ev): 6.9520 6.9520 8.3137 8.3137 8.4034 8.4034 9.2072 9.2072 9.3975 9.3975 9.8830 9.8830 10.8113 10.8113 11.1333 11.1333 11.4016 11.4016 11.5354 11.5354 11.6367 11.6367 12.6162 12.6162 12.9433 12.9433 13.0703 13.0703 13.1575 13.1575 13.2508 13.2508 13.3231 13.3231 13.3669 13.3669 13.7373 13.7373 13.9107 13.9107 14.4860 14.4860 k = 0.0698 0.5000-0.0000 ( 1850 PWs) bands (ev): 6.9694 6.9694 8.3130 8.3130 8.4144 8.4144 9.2102 9.2102 9.4030 9.4030 9.8824 9.8824 10.8194 10.8194 11.1164 11.1164 11.4045 11.4045 11.5358 11.5358 11.6367 11.6367 12.5842 12.5842 12.9470 12.9470 13.0969 13.0969 13.1391 13.1391 13.2500 13.2500 13.3300 13.3300 13.3676 13.3676 13.7537 13.7537 13.9170 13.9170 14.4744 14.4744 k = 0.0814 0.5000-0.0000 ( 1850 PWs) bands (ev): 6.9898 6.9898 8.3125 8.3125 8.4268 8.4268 9.2140 9.2140 9.4096 9.4096 9.8818 9.8818 10.8290 10.8290 11.0974 11.0974 11.4080 11.4080 11.5358 11.5358 11.6364 11.6364 12.5518 12.5518 12.9499 12.9499 13.1180 13.1180 13.1259 13.1259 13.2493 13.2493 13.3352 13.3352 13.3684 13.3684 13.7730 13.7730 13.9254 13.9254 14.4606 14.4606 k = 0.0930 0.5000-0.0000 ( 1850 PWs) bands (ev): 7.0133 7.0133 8.3121 8.3121 8.4407 8.4407 9.2186 9.2186 9.4171 9.4171 9.8813 9.8813 10.8399 10.8399 11.0766 11.0766 11.4120 11.4120 11.5353 11.5353 11.6356 11.6356 12.5192 12.5192 12.9523 12.9523 13.0999 13.0999 13.1507 13.1507 13.2488 13.2488 13.3386 13.3386 13.3690 13.3690 13.7951 13.7951 13.9359 13.9359 14.4446 14.4446 k = 0.1047 0.5000-0.0000 ( 1854 PWs) bands (ev): 7.0398 7.0398 8.3117 8.3117 8.4558 8.4558 9.2239 9.2239 9.4257 9.4257 9.8808 9.8808 10.8521 10.8521 11.0544 11.0544 11.4165 11.4165 11.5340 11.5340 11.6343 11.6343 12.4866 12.4866 12.9545 12.9545 13.0799 13.0799 13.1749 13.1749 13.2486 13.2486 13.3404 13.3404 13.3696 13.3696 13.8196 13.8196 13.9491 13.9491 14.4259 14.4259 k = 0.1163 0.5000-0.0000 ( 1846 PWs) bands (ev): 7.0693 7.0693 8.3114 8.3114 8.4723 8.4723 9.2303 9.2303 9.4354 9.4354 9.8804 9.8804 10.8657 10.8657 11.0309 11.0309 11.4215 11.4215 11.5319 11.5319 11.6326 11.6326 12.4544 12.4544 12.9566 12.9566 13.0593 13.0593 13.1962 13.1962 13.2493 13.2493 13.3408 13.3408 13.3699 13.3699 13.8463 13.8463 13.9653 13.9653 14.4037 14.4037 k = 0.1279 0.5000-0.0000 ( 1846 PWs) bands (ev): 7.1016 7.1016 8.3109 8.3109 8.4900 8.4900 9.2376 9.2376 9.4461 9.4461 9.8802 9.8802 10.8806 10.8806 11.0065 11.0065 11.4268 11.4268 11.5288 11.5288 11.6305 11.6305 12.4227 12.4227 12.9584 12.9584 13.0381 13.0381 13.2128 13.2128 13.2515 13.2515 13.3399 13.3399 13.3699 13.3699 13.8751 13.8751 13.9847 13.9847 14.3773 14.3773 k = 0.1395 0.5000-0.0000 ( 1848 PWs) bands (ev): 7.1367 7.1367 8.3102 8.3102 8.5088 8.5088 9.2459 9.2459 9.4579 9.4579 9.8802 9.8802 10.8967 10.8967 10.9813 10.9813 11.4326 11.4326 11.5243 11.5243 11.6280 11.6280 12.3914 12.3914 12.9598 12.9598 13.0166 13.0166 13.2232 13.2232 13.2565 13.2565 13.3379 13.3379 13.3695 13.3695 13.9055 13.9055 14.0078 14.0078 14.3475 14.3475 k = 0.1512 0.5000-0.0000 ( 1848 PWs) bands (ev): 7.1745 7.1745 8.3093 8.3093 8.5288 8.5288 9.2553 9.2553 9.4708 9.4708 9.8805 9.8805 10.9140 10.9140 10.9557 10.9557 11.4388 11.4388 11.5185 11.5185 11.6255 11.6255 12.3608 12.3608 12.9596 12.9596 12.9958 12.9958 13.2278 13.2278 13.2636 13.2636 13.3351 13.3351 13.3686 13.3686 13.9372 13.9372 14.0344 14.0344 14.3159 14.3159 k = 0.1628 0.5000-0.0000 ( 1840 PWs) bands (ev): 7.2150 7.2150 8.3080 8.3080 8.5497 8.5497 9.2660 9.2660 9.4848 9.4848 9.8811 9.8811 10.9283 10.9283 10.9337 10.9337 11.4454 11.4454 11.5111 11.5111 11.6230 11.6230 12.3308 12.3308 12.9524 12.9524 12.9811 12.9811 13.2292 13.2292 13.2700 13.2700 13.3318 13.3318 13.3671 13.3671 13.9697 13.9697 14.0647 14.0647 14.2836 14.2836 k = 0.1744 0.5000-0.0000 ( 1848 PWs) bands (ev): 7.2579 7.2579 8.3063 8.3063 8.5717 8.5717 9.2777 9.2777 9.4998 9.4998 9.8821 9.8821 10.9030 10.9030 10.9522 10.9522 11.4521 11.4521 11.5020 11.5020 11.6206 11.6206 12.3016 12.3016 12.9329 12.9329 12.9776 12.9776 13.2290 13.2290 13.2738 13.2738 13.3279 13.3279 13.3647 13.3647 14.0016 14.0016 14.0984 14.0984 14.2521 14.2521 k = 0.1860 0.5000-0.0000 ( 1848 PWs) bands (ev): 7.3033 7.3033 8.3041 8.3041 8.5946 8.5946 9.2906 9.2906 9.5160 9.5160 9.8835 9.8835 10.8765 10.8765 10.9726 10.9726 11.4588 11.4588 11.4916 11.4916 11.6185 11.6185 12.2732 12.2732 12.9074 12.9074 12.9791 12.9791 13.2281 13.2281 13.2748 13.2748 13.3237 13.3237 13.3615 13.3615 14.0306 14.0306 14.1354 14.1354 14.2242 14.2242 k = 0.1977 0.5000-0.0000 ( 1842 PWs) bands (ev): 7.3509 7.3509 8.3013 8.3013 8.6183 8.6183 9.3046 9.3046 9.5333 9.5333 9.8853 9.8853 10.8501 10.8501 10.9942 10.9942 11.4645 11.4645 11.4809 11.4809 11.6168 11.6168 12.2456 12.2456 12.8791 12.8791 12.9821 12.9821 13.2267 13.2267 13.2728 13.2728 13.3189 13.3189 13.3574 13.3574 14.0506 14.0506 14.1748 14.1748 14.2061 14.2061 k = 0.2093 0.5000-0.0000 ( 1850 PWs) bands (ev): 7.4007 7.4007 8.2981 8.2981 8.6428 8.6428 9.3198 9.3198 9.5517 9.5517 9.8877 9.8877 10.8237 10.8237 11.0163 11.0163 11.4604 11.4604 11.4785 11.4785 11.6153 11.6153 12.2186 12.2186 12.8485 12.8485 12.9859 12.9859 13.2250 13.2250 13.2683 13.2683 13.3131 13.3131 13.3522 13.3522 14.0522 14.0522 14.2043 14.2043 14.2077 14.2077 k = 0.2209 0.5000-0.0000 ( 1850 PWs) bands (ev): 7.4524 7.4524 8.2943 8.2943 8.6681 8.6681 9.3360 9.3360 9.5712 9.5712 9.8907 9.8907 10.7975 10.7975 11.0391 11.0391 11.4464 11.4464 11.4848 11.4848 11.6142 11.6142 12.1927 12.1927 12.8162 12.8162 12.9903 12.9903 13.2231 13.2231 13.2620 13.2620 13.3064 13.3064 13.3459 13.3459 14.0342 14.0342 14.1809 14.1809 14.2295 14.2295 k = 0.2326 0.5000-0.0000 ( 1850 PWs) bands (ev): 7.5059 7.5059 8.2899 8.2899 8.6939 8.6939 9.3532 9.3532 9.5917 9.5917 9.8943 9.8943 10.7716 10.7716 11.0623 11.0623 11.4300 11.4300 11.4925 11.4925 11.6133 11.6133 12.1678 12.1678 12.7819 12.7819 12.9953 12.9953 13.2209 13.2209 13.2542 13.2542 13.2984 13.2984 13.3385 13.3385 14.0049 14.0049 14.1506 14.1506 14.2640 14.2640 k = 0.2442 0.5000-0.0000 ( 1852 PWs) bands (ev): 7.5610 7.5610 8.2851 8.2851 8.7204 8.7204 9.3713 9.3713 9.6131 9.6131 9.8986 9.8986 10.7459 10.7459 11.0857 11.0857 11.4125 11.4125 11.5007 11.5007 11.6126 11.6126 12.1438 12.1438 12.7457 12.7457 13.0007 13.0007 13.2182 13.2182 13.2456 13.2456 13.2891 13.2891 13.3300 13.3300 13.9706 13.9706 14.1192 14.1192 14.3049 14.3049 k = 0.2558 0.5000-0.0000 ( 1852 PWs) bands (ev): 7.6174 7.6174 8.2798 8.2798 8.7474 8.7474 9.3902 9.3902 9.6354 9.6354 9.9036 9.9036 10.7206 10.7206 11.1091 11.1091 11.3944 11.3944 11.5090 11.5090 11.6121 11.6121 12.1207 12.1207 12.7076 12.7076 13.0067 13.0067 13.2147 13.2147 13.2365 13.2365 13.2787 13.2787 13.3205 13.3205 13.9341 13.9341 14.0872 14.0872 14.3492 14.3492 k = 0.2674 0.5000-0.0000 ( 1850 PWs) bands (ev): 7.6749 7.6749 8.2741 8.2741 8.7748 8.7748 9.4098 9.4098 9.6583 9.6583 9.9095 9.9095 10.6957 10.6957 11.1318 11.1318 11.3765 11.3765 11.5174 11.5174 11.6117 11.6117 12.0987 12.0987 12.6676 12.6676 13.0131 13.0131 13.2095 13.2095 13.2281 13.2281 13.2675 13.2675 13.3099 13.3099 13.8968 13.8968 14.0546 14.0546 14.3958 14.3958 k = 0.2791 0.5000-0.0000 ( 1850 PWs) bands (ev): 7.7332 7.7332 8.2681 8.2681 8.8027 8.8027 9.4299 9.4299 9.6819 9.6819 9.9163 9.9163 10.6711 10.6711 11.1530 11.1530 11.3597 11.3597 11.5259 11.5259 11.6114 11.6114 12.0777 12.0777 12.6258 12.6258 13.0201 13.0201 13.2015 13.2015 13.2212 13.2212 13.2559 13.2559 13.2982 13.2982 13.8594 13.8594 14.0217 14.0217 14.4441 14.4441 k = 0.2907 0.5000-0.0000 ( 1848 PWs) bands (ev): 7.7919 7.7919 8.2618 8.2618 8.8309 8.8309 9.4505 9.4505 9.7058 9.7058 9.9241 9.9241 10.6469 10.6469 11.1712 11.1712 11.3457 11.3457 11.5343 11.5343 11.6113 11.6113 12.0577 12.0577 12.5821 12.5821 13.0275 13.0275 13.1911 13.1911 13.2151 13.2151 13.2449 13.2449 13.2855 13.2855 13.8223 13.8223 13.9884 13.9884 14.4937 14.4937 k = 0.3023 0.5000-0.0000 ( 1844 PWs) bands (ev): 7.8508 7.8508 8.2554 8.2554 8.8595 8.8595 9.4714 9.4714 9.7298 9.7298 9.9331 9.9331 10.6229 10.6229 11.1841 11.1841 11.3367 11.3367 11.5427 11.5427 11.6112 11.6112 12.0387 12.0387 12.5368 12.5368 13.0354 13.0354 13.1790 13.1790 13.2080 13.2080 13.2357 13.2357 13.2719 13.2719 13.7858 13.7858 13.9552 13.9552 14.5444 14.5444 k = 0.3140 0.5000-0.0000 ( 1844 PWs) bands (ev): 7.9093 7.9093 8.2489 8.2489 8.8885 8.8885 9.4925 9.4925 9.7536 9.7536 9.9432 9.9432 10.5993 10.5993 11.1889 11.1889 11.3358 11.3358 11.5509 11.5509 11.6110 11.6110 12.0208 12.0208 12.4900 12.4900 13.0436 13.0436 13.1661 13.1661 13.1983 13.1983 13.2294 13.2294 13.2574 13.2574 13.7502 13.7502 13.9219 13.9219 14.5961 14.5961 k = 0.3256 0.5000-0.0000 ( 1840 PWs) bands (ev): 7.9671 7.9671 8.2424 8.2424 8.9177 8.9177 9.5137 9.5137 9.7769 9.7769 9.9546 9.9546 10.5759 10.5759 11.1849 11.1849 11.3439 11.3439 11.5589 11.5589 11.6109 11.6109 12.0039 12.0039 12.4417 12.4417 13.0519 13.0519 13.1527 13.1527 13.1867 13.1867 13.2255 13.2255 13.2424 13.2424 13.7156 13.7156 13.8888 13.8888 14.6487 14.6487 k = 0.3372 0.5000-0.0000 ( 1840 PWs) bands (ev): 8.0235 8.0235 8.2362 8.2362 8.9473 8.9473 9.5347 9.5347 9.7994 9.7994 9.9674 9.9674 10.5527 10.5527 11.1738 11.1738 11.3591 11.3591 11.5667 11.5667 11.6107 11.6107 11.9881 11.9881 12.3925 12.3925 13.0599 13.0599 13.1392 13.1392 13.1744 13.1744 13.2211 13.2211 13.2287 13.2287 13.6823 13.6823 13.8558 13.8558 14.7022 14.7022 k = 0.3488 0.5000-0.0000 ( 1848 PWs) bands (ev): 8.0780 8.0780 8.2305 8.2305 8.9771 8.9771 9.5556 9.5556 9.8207 9.8207 9.9815 9.9815 10.5295 10.5295 11.1586 11.1586 11.3787 11.3787 11.5741 11.5741 11.6104 11.6104 11.9733 11.9733 12.3424 12.3424 13.0671 13.0671 13.1260 13.1260 13.1629 13.1629 13.2075 13.2075 13.2247 13.2247 13.6502 13.6502 13.8229 13.8229 14.7564 14.7564 k = 0.3605 0.5000-0.0000 ( 1844 PWs) bands (ev): 8.1292 8.1292 8.2262 8.2262 9.0071 9.0071 9.5762 9.5762 9.8406 9.8406 9.9971 9.9971 10.5064 10.5064 11.1416 11.1416 11.4007 11.4007 11.5813 11.5813 11.6102 11.6102 11.9596 11.9596 12.2920 12.2920 13.0721 13.0721 13.1136 13.1136 13.1534 13.1534 13.1907 13.1907 13.2243 13.2243 13.6197 13.6197 13.7907 13.7907 14.8116 14.8116 k = 0.3721 0.5000-0.0000 ( 1844 PWs) bands (ev): 8.1731 8.1731 8.2267 8.2267 9.0373 9.0373 9.5964 9.5964 9.8589 9.8589 10.0138 10.0138 10.4832 10.4832 11.1241 11.1241 11.4238 11.4238 11.5880 11.5880 11.6101 11.6101 11.9469 11.9469 12.2415 12.2415 13.0728 13.0728 13.1031 13.1031 13.1476 13.1476 13.1734 13.1734 13.2248 13.2248 13.5909 13.5909 13.7590 13.7590 14.8675 14.8675 k = 0.3837 0.5000-0.0000 ( 1852 PWs) bands (ev): 8.1950 8.1950 8.2466 8.2466 9.0675 9.0675 9.6161 9.6161 9.8753 9.8753 10.0314 10.0314 10.4598 10.4598 11.1070 11.1070 11.4470 11.4470 11.5943 11.5943 11.6097 11.6097 11.9353 11.9353 12.1914 12.1914 13.0678 13.0678 13.0942 13.0942 13.1470 13.1470 13.1561 13.1561 13.2261 13.2261 13.5636 13.5636 13.7281 13.7281 14.9243 14.9243 k = 0.3953 0.5000-0.0000 ( 1848 PWs) bands (ev): 8.1965 8.1965 8.2837 8.2837 9.0974 9.0974 9.6352 9.6352 9.8899 9.8899 10.0497 10.0497 10.4364 10.4364 11.0909 11.0909 11.4703 11.4703 11.6001 11.6001 11.6096 11.6096 11.9246 11.9246 12.1424 12.1424 13.0593 13.0593 13.0859 13.0859 13.1383 13.1383 13.1522 13.1522 13.2280 13.2280 13.5383 13.5383 13.6981 13.6981 14.9819 14.9819 k = 0.4070 0.5000-0.0000 ( 1848 PWs) bands (ev): 8.1936 8.1936 8.3218 8.3218 9.1267 9.1267 9.6537 9.6537 9.9026 9.9026 10.0681 10.0681 10.4130 10.4130 11.0764 11.0764 11.4929 11.4929 11.6053 11.6053 11.6095 11.6095 11.9150 11.9150 12.0950 12.0950 13.0495 13.0495 13.0773 13.0773 13.1215 13.1215 13.1599 13.1599 13.2308 13.2308 13.5149 13.5149 13.6693 13.6693 15.0404 15.0404 k = 0.4186 0.5000-0.0000 ( 1842 PWs) bands (ev): 8.1899 8.1899 8.3569 8.3569 9.1549 9.1549 9.6715 9.6715 9.9134 9.9134 10.0863 10.0863 10.3897 10.3897 11.0636 11.0636 11.5147 11.5147 11.6086 11.6086 11.6110 11.6110 11.9064 11.9064 12.0499 12.0499 13.0398 13.0398 13.0688 13.0688 13.1055 13.1055 13.1692 13.1692 13.2344 13.2344 13.4937 13.4937 13.6420 13.6420 15.0999 15.0999 k = 0.4302 0.5000-0.0000 ( 1850 PWs) bands (ev): 8.1863 8.1863 8.3878 8.3878 9.1814 9.1814 9.6885 9.6885 9.9221 9.9221 10.1040 10.1040 10.3667 10.3667 11.0527 11.0527 11.5352 11.5352 11.6088 11.6088 11.6147 11.6147 11.8987 11.8987 12.0077 12.0077 13.0312 13.0312 13.0608 13.0608 13.0904 13.0904 13.1787 13.1787 13.2389 13.2389 13.4745 13.4745 13.6163 13.6163 15.1602 15.1602 k = 0.4419 0.5000-0.0000 ( 1846 PWs) bands (ev): 8.1831 8.1831 8.4143 8.4143 9.2056 9.2056 9.7044 9.7044 9.9289 9.9289 10.1208 10.1208 10.3445 10.3445 11.0439 11.0439 11.5542 11.5542 11.6088 11.6088 11.6182 11.6182 11.8919 11.8919 11.9694 11.9694 13.0240 13.0240 13.0535 13.0535 13.0767 13.0767 13.1878 13.1878 13.2445 13.2445 13.4578 13.4578 13.5929 13.5929 15.2217 15.2217 k = 0.4535 0.5000-0.0000 ( 1838 PWs) bands (ev): 8.1803 8.1803 8.4361 8.4361 9.2268 9.2268 9.7188 9.7188 9.9338 9.9338 10.1366 10.1366 10.3235 10.3235 11.0370 11.0370 11.5711 11.5711 11.6091 11.6091 11.6213 11.6213 11.8858 11.8858 11.9363 11.9363 13.0186 13.0186 13.0470 13.0470 13.0649 13.0649 13.1955 13.1955 13.2509 13.2509 13.4435 13.4435 13.5719 13.5719 15.2843 15.2843 k = 0.4651 0.5000-0.0000 ( 1844 PWs) bands (ev): 8.1782 8.1782 8.4531 8.4531 9.2441 9.2441 9.7312 9.7312 9.9369 9.9369 10.1507 10.1507 10.3046 10.3046 11.0318 11.0318 11.5850 11.5850 11.6097 11.6097 11.6235 11.6235 11.8795 11.8795 11.9099 11.9099 13.0147 13.0147 13.0411 13.0411 13.0555 13.0555 13.2014 13.2014 13.2574 13.2574 13.4319 13.4319 13.5544 13.5544 15.3477 15.3477 k = 0.4767 0.5000-0.0000 ( 1852 PWs) bands (ev): 8.1766 8.1766 8.4652 8.4652 9.2570 9.2570 9.7409 9.7409 9.9386 9.9386 10.1627 10.1627 10.2888 10.2888 11.0283 11.0283 11.5946 11.5946 11.6116 11.6116 11.6251 11.6251 11.8713 11.8713 11.8933 11.8933 13.0123 13.0123 13.0358 13.0358 13.0487 13.0487 13.2056 13.2056 13.2633 13.2633 13.4233 13.4233 13.5410 13.5410 15.4116 15.4116 k = 0.4884 0.5000-0.0000 ( 1852 PWs) bands (ev): 8.1756 8.1756 8.4725 8.4725 9.2649 9.2649 9.7471 9.7471 9.9394 9.9394 10.1712 10.1712 10.2779 10.2779 11.0263 11.0263 11.5991 11.5991 11.6146 11.6146 11.6261 11.6261 11.8625 11.8625 11.8864 11.8864 13.0112 13.0112 13.0319 13.0319 13.0451 13.0451 13.2081 13.2081 13.2674 13.2674 13.4180 13.4180 13.5326 13.5326 15.4749 15.4749 k = 0.5000 0.5000-0.0000 ( 1852 PWs) bands (ev): 8.1753 8.1753 8.4749 8.4749 9.2676 9.2676 9.7493 9.7493 9.9396 9.9396 10.1743 10.1743 10.2738 10.2738 11.0256 11.0256 11.6002 11.6002 11.6161 11.6161 11.6264 11.6264 11.8589 11.8589 11.8847 11.8847 13.0110 13.0110 13.0304 13.0304 13.0439 13.0439 13.2090 13.2090 13.2689 13.2689 13.4162 13.4162 13.5297 13.5298 15.5317 15.5317 k = 0.5000 0.5000-0.0000 ( 1852 PWs) bands (ev): 8.1753 8.1753 8.4749 8.4749 9.2676 9.2676 9.7493 9.7493 9.9396 9.9396 10.1743 10.1743 10.2738 10.2738 11.0256 11.0256 11.6002 11.6002 11.6161 11.6161 11.6264 11.6264 11.8589 11.8589 11.8847 11.8847 13.0110 13.0110 13.0304 13.0304 13.0439 13.0439 13.2090 13.2090 13.2689 13.2689 13.4162 13.4162 13.5297 13.5298 15.5317 15.5317 k = 0.4917 0.4917-0.0000 ( 1852 PWs) bands (ev): 8.1756 8.1756 8.4724 8.4724 9.2648 9.2648 9.7471 9.7471 9.9394 9.9394 10.1711 10.1711 10.2780 10.2780 11.0263 11.0263 11.5990 11.5990 11.6146 11.6146 11.6261 11.6261 11.8627 11.8627 11.8863 11.8863 13.0112 13.0112 13.0320 13.0320 13.0451 13.0451 13.2080 13.2080 13.2675 13.2675 13.4180 13.4180 13.5327 13.5327 15.4715 15.4715 k = 0.4833 0.4833-0.0000 ( 1852 PWs) bands (ev): 8.1765 8.1765 8.4650 8.4650 9.2567 9.2567 9.7405 9.7405 9.9388 9.9388 10.1623 10.1623 10.2891 10.2891 11.0284 11.0284 11.5941 11.5941 11.6115 11.6115 11.6256 11.6256 11.8736 11.8736 11.8914 11.8914 13.0121 13.0121 13.0365 13.0365 13.0486 13.0486 13.2039 13.2039 13.2653 13.2653 13.4229 13.4229 13.5414 13.5414 15.3971 15.3971 k = 0.4750 0.4750-0.0000 ( 1840 PWs) bands (ev): 8.1775 8.1775 8.4529 8.4529 9.2437 9.2437 9.7302 9.7302 9.9378 9.9378 10.1497 10.1497 10.3048 10.3048 11.0321 11.0321 11.5842 11.5842 11.6078 11.6078 11.6266 11.6266 11.8889 11.8889 11.9013 11.9013 13.0140 13.0140 13.0436 13.0436 13.0545 13.0545 13.1943 13.1943 13.2663 13.2663 13.4301 13.4301 13.5551 13.5551 15.3164 15.3164 k = 0.4667 0.4667-0.0000 ( 1836 PWs) bands (ev): 8.1780 8.1780 8.4365 8.4365 9.2265 9.2265 9.7166 9.7166 9.9365 9.9365 10.1343 10.1343 10.3231 10.3231 11.0376 11.0376 11.5708 11.5708 11.6021 11.6021 11.6304 11.6304 11.9030 11.9030 11.9198 11.9198 13.0169 13.0169 13.0531 13.0531 13.0628 13.0628 13.1784 13.1784 13.2727 13.2727 13.4385 13.4385 13.5729 13.5729 15.2326 15.2326 k = 0.4583 0.4583-0.0000 ( 1842 PWs) bands (ev): 8.1768 8.1768 8.4168 8.4168 9.2060 9.2060 9.7004 9.7004 9.9347 9.9347 10.1165 10.1165 10.3425 10.3425 11.0451 11.0451 11.5554 11.5554 11.5940 11.5940 11.6366 11.6366 11.9160 11.9160 11.9456 11.9456 13.0210 13.0210 13.0643 13.0643 13.0729 13.0729 13.1581 13.1581 13.2840 13.2840 13.4479 13.4479 13.5938 13.5938 15.1479 15.1479 k = 0.4500 0.4500-0.0000 ( 1834 PWs) bands (ev): 8.1718 8.1718 8.3956 8.3956 9.1831 9.1831 9.6820 9.6820 9.9325 9.9325 10.0966 10.0966 10.3620 10.3620 11.0551 11.0551 11.5396 11.5396 11.5844 11.5844 11.6450 11.6450 11.9300 11.9300 11.9755 11.9755 13.0261 13.0261 13.0772 13.0772 13.0853 13.0853 13.1356 13.1356 13.2994 13.2994 13.4585 13.4585 13.6169 13.6169 15.0635 15.0635 k = 0.4417 0.4417-0.0000 ( 1844 PWs) bands (ev): 8.1600 8.1600 8.3756 8.3756 9.1588 9.1588 9.6618 9.6618 9.9299 9.9299 10.0745 10.0745 10.3806 10.3806 11.0677 11.0677 11.5236 11.5236 11.5730 11.5730 11.6554 11.6554 11.9453 11.9453 12.0079 12.0079 13.0318 13.0318 13.0883 13.0883 13.0994 13.0994 13.1155 13.1155 13.3178 13.3178 13.4698 13.4698 13.6416 13.6416 14.9801 14.9801 k = 0.4333 0.4333-0.0000 ( 1844 PWs) bands (ev): 8.1379 8.1379 8.3602 8.3602 9.1339 9.1339 9.6400 9.6400 9.9268 9.9268 10.0503 10.0503 10.3977 10.3977 11.0831 11.0831 11.5084 11.5084 11.5609 11.5609 11.6677 11.6677 11.9617 11.9617 12.0424 12.0424 13.0362 13.0362 13.0809 13.0809 13.1154 13.1154 13.1179 13.1179 13.3390 13.3390 13.4825 13.4825 13.6673 13.6673 14.8982 14.8982 k = 0.4250 0.4250-0.0000 ( 1844 PWs) bands (ev): 8.1031 8.1031 8.3517 8.3517 9.1092 9.1092 9.6169 9.6169 9.9232 9.9232 10.0244 10.0244 10.4127 10.4127 11.1014 11.1014 11.4943 11.4943 11.5482 11.5482 11.6818 11.6818 11.9790 11.9790 12.0785 12.0785 13.0310 13.0310 13.0702 13.0702 13.1334 13.1334 13.1351 13.1351 13.3625 13.3625 13.4964 13.4964 13.6937 13.6937 14.8180 14.8180 k = 0.4167 0.4167-0.0000 ( 1846 PWs) bands (ev): 8.0559 8.0559 8.3499 8.3499 9.0850 9.0850 9.5926 9.5926 9.9191 9.9191 9.9969 9.9969 10.4254 10.4254 11.1223 11.1223 11.4819 11.4819 11.5352 11.5352 11.6977 11.6977 11.9969 11.9969 12.1157 12.1157 13.0106 13.0106 13.0740 13.0740 13.1535 13.1535 13.1553 13.1553 13.3878 13.3878 13.5115 13.5115 13.7206 13.7206 14.7398 14.7398 k = 0.4083 0.4083-0.0000 ( 1848 PWs) bands (ev): 7.9981 7.9981 8.3531 8.3531 9.0617 9.0617 9.5671 9.5671 9.9140 9.9140 9.9682 9.9682 10.4354 10.4354 11.1458 11.1458 11.4717 11.4717 11.5225 11.5225 11.7153 11.7153 12.0153 12.0153 12.1538 12.1538 12.9841 12.9841 13.0843 13.0843 13.1752 13.1752 13.1777 13.1777 13.4148 13.4148 13.5280 13.5280 13.7477 13.7477 14.6634 14.6634 k = 0.4000 0.4000-0.0000 ( 1846 PWs) bands (ev): 7.9318 7.9318 8.3595 8.3595 9.0393 9.0393 9.5408 9.5408 9.9071 9.9071 9.9396 9.9396 10.4428 10.4428 11.1713 11.1713 11.4644 11.4644 11.5103 11.5103 11.7346 11.7346 12.0341 12.0341 12.1926 12.1926 12.9560 12.9560 13.0977 13.0977 13.1981 13.1981 13.2018 13.2018 13.4432 13.4432 13.5458 13.5458 13.7749 13.7749 14.5894 14.5894 k = 0.3917 0.3917-0.0000 ( 1854 PWs) bands (ev): 7.8586 7.8586 8.3674 8.3674 9.0178 9.0178 9.5139 9.5139 9.8936 9.8936 9.9160 9.9160 10.4473 10.4473 11.1980 11.1980 11.4609 11.4609 11.4990 11.4990 11.7556 11.7556 12.0526 12.0526 12.2316 12.2316 12.9269 12.9269 13.1127 13.1127 13.2223 13.2223 13.2275 13.2275 13.4726 13.4726 13.5649 13.5649 13.8021 13.8021 14.5174 14.5174 k = 0.3833 0.3833-0.0000 ( 1854 PWs) bands (ev): 7.7800 7.7800 8.3759 8.3759 8.9971 8.9971 9.4865 9.4865 9.8674 9.8674 9.9036 9.9036 10.4492 10.4492 11.2249 11.2249 11.4623 11.4623 11.4890 11.4890 11.7785 11.7785 12.0714 12.0714 12.2708 12.2708 12.8979 12.8979 13.1293 13.1293 13.2474 13.2474 13.2546 13.2546 13.5029 13.5029 13.5854 13.5854 13.8292 13.8292 14.4478 14.4478 k = 0.3750 0.3750-0.0000 ( 1851 PWs) bands (ev): 7.6970 7.6970 8.3841 8.3841 8.9769 8.9769 9.4591 9.4591 9.8362 9.8362 9.8949 9.8949 10.4486 10.4486 11.2504 11.2504 11.4698 11.4698 11.4813 11.4813 11.8031 11.8031 12.0900 12.0900 12.3099 12.3099 12.8690 12.8690 13.1473 13.1473 13.2735 13.2735 13.2832 13.2832 13.5338 13.5338 13.6073 13.6073 13.8562 13.8562 14.3804 14.3804 k = 0.3667 0.3667-0.0000 ( 1851 PWs) bands (ev): 7.6103 7.6103 8.3913 8.3913 8.9568 8.9568 9.4321 9.4321 9.8036 9.8036 9.8863 9.8863 10.4456 10.4456 11.2728 11.2728 11.4720 11.4720 11.4889 11.4889 11.8296 11.8296 12.1084 12.1084 12.3488 12.3488 12.8402 12.8402 13.1667 13.1667 13.3002 13.3002 13.3130 13.3130 13.5649 13.5649 13.6306 13.6306 13.8829 13.8829 14.3154 14.3154 k = 0.3583 0.3583-0.0000 ( 1851 PWs) bands (ev): 7.5209 7.5209 8.3970 8.3970 8.9364 8.9364 9.4058 9.4058 9.7706 9.7706 9.8769 9.8769 10.4405 10.4405 11.2914 11.2914 11.4679 11.4679 11.5143 11.5143 11.8581 11.8581 12.1264 12.1264 12.3872 12.3872 12.8118 12.8118 13.1873 13.1873 13.3273 13.3273 13.3438 13.3438 13.5961 13.5961 13.6555 13.6555 13.9094 13.9094 14.2528 14.2528 k = 0.3500 0.3500-0.0000 ( 1851 PWs) bands (ev): 7.4292 7.4292 8.4007 8.4007 8.9152 8.9152 9.3807 9.3807 9.7373 9.7373 9.8666 9.8666 10.4334 10.4334 11.3064 11.3064 11.4657 11.4657 11.5491 11.5491 11.8883 11.8883 12.1439 12.1439 12.4250 12.4250 12.7838 12.7838 13.2092 13.2092 13.3549 13.3549 13.3757 13.3757 13.6271 13.6271 13.6817 13.6817 13.9356 13.9356 14.1926 14.1926 k = 0.3417 0.3417-0.0000 ( 1851 PWs) bands (ev): 7.3358 7.3358 8.4023 8.4023 8.8929 8.8929 9.3572 9.3572 9.7041 9.7041 9.8552 9.8552 10.4246 10.4246 11.3189 11.3189 11.4662 11.4662 11.5919 11.5919 11.9204 11.9204 12.1608 12.1608 12.4620 12.4620 12.7566 12.7566 13.2322 13.2322 13.3826 13.3826 13.4085 13.4085 13.6578 13.6578 13.7095 13.7095 13.9612 13.9612 14.1351 14.1351 k = 0.3333 0.3333-0.0000 ( 1865 PWs) bands (ev): 7.2413 7.2413 8.4014 8.4014 8.8689 8.8689 9.3355 9.3355 9.6709 9.6709 9.8426 9.8426 10.4143 10.4143 11.3303 11.3303 11.4694 11.4694 11.6411 11.6411 11.9544 11.9544 12.1771 12.1771 12.4978 12.4978 12.7302 12.7302 13.2564 13.2564 13.4102 13.4102 13.4420 13.4420 13.6879 13.6879 13.7384 13.7384 13.9862 13.9862 14.0804 14.0804 k = 0.3250 0.3250-0.0000 ( 1847 PWs) bands (ev): 7.1460 7.1460 8.3980 8.3980 8.8429 8.8429 9.3159 9.3159 9.6379 9.6379 9.8288 9.8288 10.4027 10.4027 11.3419 11.3419 11.4763 11.4763 11.6959 11.6959 11.9905 11.9905 12.1929 12.1929 12.5321 12.5321 12.7060 12.7060 13.2817 13.2817 13.4378 13.4378 13.4761 13.4761 13.7179 13.7179 13.7686 13.7686 14.0076 14.0076 14.0326 14.0326 k = 0.3167 0.3167-0.0000 ( 1847 PWs) bands (ev): 7.0502 7.0502 8.3922 8.3922 8.8148 8.8148 9.2982 9.2982 9.6051 9.6051 9.8136 9.8136 10.3899 10.3899 11.3543 11.3543 11.4867 11.4867 11.7548 11.7548 12.0285 12.0285 12.2079 12.2079 12.5630 12.5630 12.6846 12.6846 13.3080 13.3080 13.4647 13.4647 13.5106 13.5106 13.7471 13.7471 13.7992 13.7992 13.9778 13.9778 14.0388 14.0388 k = 0.3083 0.3083-0.0000 ( 1853 PWs) bands (ev): 6.9544 6.9544 8.3839 8.3839 8.7843 8.7843 9.2824 9.2824 9.5726 9.5726 9.7971 9.7971 10.3761 10.3761 11.3680 11.3680 11.5012 11.5012 11.8172 11.8172 12.0683 12.0683 12.2223 12.2223 12.5859 12.5859 12.6713 12.6713 13.3351 13.3351 13.4907 13.4907 13.5453 13.5453 13.7756 13.7756 13.8298 13.8298 13.9350 13.9350 14.0622 14.0622 k = 0.3000 0.3000-0.0000 ( 1849 PWs) bands (ev): 6.8588 6.8588 8.3734 8.3734 8.7518 8.7518 9.2681 9.2681 9.5404 9.5404 9.7794 9.7794 10.3614 10.3614 11.3831 11.3831 11.5203 11.5203 11.8828 11.8828 12.1099 12.1099 12.2363 12.2363 12.5907 12.5907 12.6763 12.6763 13.3633 13.3633 13.5153 13.5153 13.5802 13.5802 13.8016 13.8016 13.8572 13.8572 13.9018 13.9018 14.0858 14.0858 k = 0.2917 0.2917-0.0000 ( 1849 PWs) bands (ev): 6.7638 6.7638 8.3608 8.3608 8.7173 8.7173 9.2549 9.2549 9.5085 9.5085 9.7604 9.7604 10.3457 10.3457 11.3995 11.3995 11.5441 11.5441 11.9510 11.9510 12.1526 12.1526 12.2508 12.2508 12.5790 12.5790 12.6981 12.6981 13.3923 13.3923 13.5374 13.5374 13.6150 13.6150 13.8151 13.8151 13.8656 13.8656 13.9045 13.9045 14.1091 14.1091 k = 0.2833 0.2833-0.0000 ( 1851 PWs) bands (ev): 6.6694 6.6694 8.3463 8.3463 8.6811 8.6811 9.2424 9.2424 9.4769 9.4769 9.7401 9.7401 10.3293 10.3293 11.4171 11.4171 11.5730 11.5730 12.0213 12.0213 12.1944 12.1944 12.2677 12.2677 12.5613 12.5613 12.7265 12.7265 13.4221 13.4221 13.5557 13.5557 13.6497 13.6497 13.8020 13.8020 13.8814 13.8814 13.9325 13.9325 14.1319 14.1319 k = 0.2750 0.2750-0.0000 ( 1851 PWs) bands (ev): 6.5760 6.5760 8.3302 8.3302 8.6435 8.6435 9.2302 9.2302 9.4457 9.4457 9.7188 9.7188 10.3121 10.3121 11.4358 11.4358 11.6070 11.6070 12.0932 12.0932 12.2293 12.2293 12.2935 12.2935 12.5427 12.5427 12.7567 12.7567 13.4525 13.4525 13.5681 13.5681 13.6840 13.6840 13.7835 13.7835 13.9081 13.9081 13.9633 13.9633 14.1543 14.1543 k = 0.2667 0.2667-0.0000 ( 1851 PWs) bands (ev): 6.4838 6.4838 8.3125 8.3125 8.6049 8.6049 9.2180 9.2180 9.4148 9.4148 9.6965 9.6965 10.2940 10.2940 11.4553 11.4553 11.6459 11.6459 12.1660 12.1660 12.2512 12.2512 12.3344 12.3344 12.5250 12.5250 12.7872 12.7872 13.4834 13.4834 13.5725 13.5725 13.7178 13.7178 13.7727 13.7727 13.9374 13.9374 13.9944 13.9944 14.1764 14.1764 k = 0.2583 0.2583-0.0000 ( 1853 PWs) bands (ev): 6.3930 6.3930 8.2936 8.2936 8.5655 8.5655 9.2054 9.2054 9.3844 9.3844 9.6733 9.6733 10.2753 10.2753 11.4758 11.4758 11.6891 11.6891 12.2381 12.2381 12.2645 12.2645 12.3869 12.3869 12.5097 12.5097 12.8176 12.8176 13.5138 13.5138 13.5684 13.5684 13.7505 13.7505 13.7728 13.7728 13.9675 13.9675 14.0253 14.0253 14.1978 14.1978 k = 0.2500 0.2500-0.0000 ( 1853 PWs) bands (ev): 6.3037 6.3037 8.2737 8.2737 8.5257 8.5257 9.1925 9.1925 9.3544 9.3544 9.6493 9.6493 10.2559 10.2559 11.4970 11.4970 11.7361 11.7361 12.2720 12.2720 12.3099 12.3099 12.4467 12.4467 12.4990 12.4990 12.8476 12.8476 13.5374 13.5374 13.5643 13.5643 13.7763 13.7763 13.7884 13.7884 13.9981 13.9981 14.0558 14.0558 14.2188 14.2188 k = 0.2417 0.2417-0.0000 ( 1853 PWs) bands (ev): 6.2160 6.2160 8.2528 8.2528 8.4857 8.4857 9.1789 9.1789 9.3249 9.3249 9.6248 9.6248 10.2359 10.2359 11.5189 11.5189 11.7855 11.7855 12.2786 12.2786 12.3737 12.3737 12.4973 12.4973 12.5128 12.5128 12.8772 12.8772 13.5309 13.5309 13.5860 13.5860 13.7935 13.7935 13.8183 13.8183 14.0288 14.0289 14.0859 14.0859 14.2392 14.2392 k = 0.2333 0.2333-0.0000 ( 1857 PWs) bands (ev): 6.1302 6.1302 8.2312 8.2312 8.4456 8.4456 9.1647 9.1647 9.2958 9.2958 9.5998 9.5998 10.2155 10.2155 11.5413 11.5413 11.8355 11.8355 12.2831 12.2831 12.4192 12.4192 12.5186 12.5186 12.5840 12.5840 12.9063 12.9063 13.5132 13.5132 13.6172 13.6172 13.8126 13.8126 13.8493 13.8493 14.0596 14.0596 14.1153 14.1153 14.2591 14.2591 k = 0.2250 0.2250-0.0000 ( 1853 PWs) bands (ev): 6.0464 6.0464 8.2090 8.2090 8.4058 8.4058 9.1499 9.1499 9.2673 9.2673 9.5746 9.5746 10.1947 10.1947 11.5643 11.5643 11.8847 11.8847 12.2857 12.2857 12.4413 12.4413 12.5693 12.5693 12.6601 12.6601 12.9348 12.9348 13.4941 13.4941 13.6499 13.6499 13.8335 13.8335 13.8798 13.8798 14.0904 14.0904 14.1442 14.1442 14.2786 14.2786 k = 0.2167 0.2167-0.0000 ( 1857 PWs) bands (ev): 5.9647 5.9647 8.1864 8.1864 8.3664 8.3664 9.1346 9.1346 9.2393 9.2393 9.5491 9.5491 10.1735 10.1735 11.5874 11.5874 11.9302 11.9302 12.2858 12.2858 12.4584 12.4584 12.6344 12.6344 12.7402 12.7402 12.9629 12.9629 13.4754 13.4754 13.6830 13.6830 13.8554 13.8554 13.9093 13.9093 14.1207 14.1207 14.1723 14.1723 14.2976 14.2976 k = 0.2083 0.2083-0.0000 ( 1861 PWs) bands (ev): 5.8852 5.8852 8.1635 8.1635 8.3276 8.3276 9.1187 9.1187 9.2118 9.2118 9.5237 9.5237 10.1521 10.1521 11.6107 11.6107 11.9697 11.9697 12.2834 12.2834 12.4828 12.4828 12.7047 12.7047 12.8232 12.8232 12.9906 12.9906 13.4579 13.4579 13.7164 13.7164 13.8777 13.8777 13.9379 13.9379 14.1507 14.1507 14.1997 14.1997 14.3162 14.3162 k = 0.2000 0.2000-0.0000 ( 1861 PWs) bands (ev): 5.8080 5.8080 8.1404 8.1404 8.2895 8.2895 9.1024 9.1024 9.1851 9.1851 9.4985 9.4985 10.1307 10.1307 11.6341 11.6341 12.0009 12.0009 12.2784 12.2784 12.5189 12.5189 12.7781 12.7781 12.9079 12.9079 13.0186 13.0186 13.4419 13.4419 13.7495 13.7495 13.9002 13.9002 13.9656 13.9656 14.1803 14.1803 14.2262 14.2262 14.3343 14.3343 k = 0.1917 0.1917-0.0000 ( 1861 PWs) bands (ev): 5.7333 5.7333 8.1173 8.1173 8.2522 8.2522 9.0859 9.0859 9.1589 9.1589 9.4735 9.4735 10.1094 10.1094 11.6575 11.6575 12.0233 12.0233 12.2714 12.2714 12.5674 12.5674 12.8540 12.8540 12.9914 12.9914 13.0488 13.0488 13.4277 13.4277 13.7824 13.7824 13.9226 13.9226 13.9923 13.9923 14.2094 14.2094 14.2520 14.2520 14.3520 14.3520 k = 0.1833 0.1833-0.0000 ( 1859 PWs) bands (ev): 5.6611 5.6611 8.0943 8.0943 8.2159 8.2159 9.0691 9.0691 9.1335 9.1335 9.4490 9.4490 10.0882 10.0882 11.6806 11.6806 12.0374 12.0374 12.2628 12.2628 12.6271 12.6271 12.9323 12.9323 13.0556 13.0556 13.0994 13.0994 13.4154 13.4154 13.8150 13.8150 13.9448 13.9448 14.0180 14.0180 14.2378 14.2378 14.2767 14.2767 14.3694 14.3694 k = 0.1750 0.1750-0.0000 ( 1855 PWs) bands (ev): 5.5915 5.5915 8.0715 8.0715 8.1807 8.1807 9.0522 9.0522 9.1089 9.1089 9.4250 9.4250 10.0673 10.0673 11.7035 11.7035 12.0448 12.0448 12.2533 12.2533 12.6954 12.6954 13.0129 13.0129 13.0888 13.0888 13.1812 13.1812 13.4051 13.4051 13.8470 13.8470 13.9668 13.9668 14.0426 14.0426 14.2654 14.2654 14.3006 14.3006 14.3866 14.3866 k = 0.1667 0.1667-0.0000 ( 1855 PWs) bands (ev): 5.5247 5.5247 8.0491 8.0491 8.1465 8.1465 9.0354 9.0354 9.0850 9.0850 9.4016 9.4016 10.0467 10.0467 11.7258 11.7258 12.0469 12.0469 12.2431 12.2431 12.7697 12.7697 13.0945 13.0945 13.1177 13.1177 13.2684 13.2684 13.3975 13.3975 13.8783 13.8783 13.9885 13.9885 14.0662 14.0662 14.2922 14.2922 14.3233 14.3233 14.4036 14.4036 k = 0.1583 0.1583-0.0000 ( 1855 PWs) bands (ev): 5.4606 5.4606 8.0270 8.0270 8.1136 8.1136 9.0187 9.0187 9.0619 9.0619 9.3789 9.3789 10.0266 10.0266 11.7474 11.7474 12.0453 12.0453 12.2327 12.2327 12.8471 12.8471 13.1412 13.1412 13.1829 13.1829 13.3533 13.3533 13.3956 13.3956 13.9087 13.9087 14.0098 14.0098 14.0887 14.0887 14.3179 14.3179 14.3449 14.3449 14.4205 14.4205 k = 0.1500 0.1500-0.0000 ( 1855 PWs) bands (ev): 5.3994 5.3994 8.0054 8.0054 8.0820 8.0820 9.0023 9.0023 9.0398 9.0398 9.3570 9.3570 10.0071 10.0071 11.7682 11.7682 12.0411 12.0411 12.2221 12.2221 12.9249 12.9249 13.1696 13.1696 13.2686 13.2686 13.3851 13.3851 13.4505 13.4505 13.9381 13.9381 14.0309 14.0309 14.1103 14.1103 14.3424 14.3424 14.3653 14.3653 14.4375 14.4375 k = 0.1417 0.1417-0.0000 ( 1845 PWs) bands (ev): 5.3411 5.3411 7.9845 7.9845 8.0518 8.0518 8.9862 8.9862 9.0185 9.0185 9.3361 9.3361 9.9882 9.9882 11.7884 11.7884 12.0352 12.0352 12.2117 12.2117 12.9992 12.9992 13.1997 13.1997 13.3491 13.3491 13.3971 13.3971 13.5366 13.5366 13.9662 13.9662 14.0520 14.0520 14.1310 14.1310 14.3657 14.3657 14.3845 14.3845 14.4546 14.4546 k = 0.1333 0.1333-0.0000 ( 1845 PWs) bands (ev): 5.2859 5.2859 7.9642 7.9642 8.0230 8.0230 8.9705 8.9705 8.9983 8.9983 9.3160 9.3160 9.9701 9.9701 11.8076 11.8076 12.0281 12.0281 12.2014 12.2014 13.0650 13.0650 13.2326 13.2326 13.3848 13.3848 13.4610 13.4610 13.6226 13.6226 13.9928 13.9928 14.0729 14.0729 14.1509 14.1509 14.3876 14.3876 14.4024 14.4024 14.4719 14.4719 k = 0.1250 0.1250-0.0000 ( 1845 PWs) bands (ev): 5.2336 5.2336 7.9447 7.9447 7.9956 7.9956 8.9553 8.9553 8.9790 8.9790 9.2970 9.2970 9.9528 9.9528 11.8256 11.8256 12.0202 12.0202 12.1915 12.1915 13.1180 13.1180 13.2653 13.2653 13.4099 13.4099 13.5503 13.5503 13.7071 13.7071 14.0178 14.0178 14.0938 14.0938 14.1701 14.1701 14.4076 14.4076 14.4196 14.4196 14.4895 14.4895 k = 0.1167 0.1167-0.0000 ( 1845 PWs) bands (ev): 5.1845 5.1845 7.9261 7.9261 7.9698 7.9698 8.9407 8.9407 8.9607 8.9607 9.2790 9.2790 9.9363 9.9363 11.8425 11.8425 12.0119 12.0119 12.1821 12.1821 13.1576 13.1576 13.2896 13.2896 13.4544 13.4544 13.6423 13.6423 13.7894 13.7894 14.0410 14.0410 14.1149 14.1149 14.1890 14.1890 14.4254 14.4254 14.4363 14.4363 14.5072 14.5072 k = 0.1083 0.1083-0.0000 ( 1851 PWs) bands (ev): 5.1386 5.1386 7.9084 7.9084 7.9456 7.9456 8.9268 8.9268 8.9436 8.9436 9.2622 9.2622 9.9207 9.9207 11.8580 11.8580 12.0035 12.0035 12.1732 12.1732 13.1871 13.1871 13.3028 13.3028 13.5186 13.5186 13.7342 13.7342 13.8689 13.8689 14.0625 14.0625 14.1361 14.1361 14.2078 14.2078 14.4406 14.4406 14.4532 14.4532 14.5251 14.5251 k = 0.1000 0.1000-0.0000 ( 1851 PWs) bands (ev): 5.0959 5.0959 7.8917 7.8917 7.9230 7.9230 8.9136 8.9136 8.9276 8.9276 9.2465 9.2465 9.9061 9.9061 11.8722 11.8722 11.9953 11.9953 12.1652 12.1652 13.2104 13.2104 13.3093 13.3093 13.5943 13.5943 13.8247 13.8247 13.9448 13.9448 14.0826 14.0826 14.1571 14.1571 14.2272 14.2272 14.4537 14.4537 14.4698 14.4698 14.5430 14.5430 k = 0.0917 0.0917-0.0000 ( 1851 PWs) bands (ev): 5.0564 5.0564 7.8761 7.8761 7.9021 7.9021 8.9012 8.9012 8.9127 8.9127 9.2319 9.2319 9.8925 9.8925 11.8850 11.8850 11.9874 11.9874 12.1580 12.1580 13.2297 13.2297 13.3124 13.3124 13.6750 13.6750 13.9115 13.9115 14.0163 14.0163 14.1024 14.1024 14.1776 14.1776 14.2481 14.2481 14.4653 14.4653 14.4858 14.4858 14.5610 14.5610 k = 0.0833 0.0833-0.0000 ( 1855 PWs) bands (ev): 5.0202 5.0202 7.8616 7.8616 7.8829 7.8829 8.8897 8.8897 8.8990 8.8990 9.2186 9.2186 9.8798 9.8798 11.8963 11.8963 11.9798 11.9798 12.1517 12.1517 13.2460 13.2460 13.3141 13.3141 13.7566 13.7566 13.9913 13.9913 14.0822 14.0822 14.1241 14.1241 14.1975 14.1975 14.2718 14.2718 14.4758 14.4758 14.5011 14.5011 14.5791 14.5791 k = 0.0750 0.0750-0.0000 ( 1855 PWs) bands (ev): 4.9874 4.9874 7.8483 7.8483 7.8654 7.8654 8.8792 8.8792 8.8865 8.8865 9.2065 9.2065 9.8684 9.8684 11.9062 11.9062 11.9727 11.9727 12.1464 12.1464 13.2601 13.2601 13.3150 13.3150 13.8362 13.8362 14.0564 14.0564 14.1385 14.1385 14.1562 14.1562 14.2173 14.2173 14.2993 14.2993 14.4855 14.4855 14.5157 14.5157 14.5975 14.5975 k = 0.0667 0.0667-0.0000 ( 1847 PWs) bands (ev): 4.9580 4.9580 7.8363 7.8363 7.8497 7.8497 8.8696 8.8696 8.8753 8.8753 9.1956 9.1956 9.8581 9.8581 11.9149 11.9149 11.9663 11.9663 12.1422 12.1422 13.2725 13.2725 13.3156 13.3156 13.9111 13.9111 14.0974 14.0974 14.1822 14.1822 14.2060 14.2060 14.2415 14.2415 14.3309 14.3309 14.4947 14.4947 14.5298 14.5298 14.6166 14.6166 k = 0.0583 0.0583-0.0000 ( 1847 PWs) bands (ev): 4.9319 4.9319 7.8256 7.8256 7.8358 7.8358 8.8611 8.8611 8.8654 8.8654 9.1860 9.1860 9.8489 9.8489 11.9218 11.9218 11.9604 11.9604 12.1388 12.1388 13.2831 13.2831 13.3160 13.3160 13.9780 13.9780 14.1193 14.1193 14.2146 14.2146 14.2556 14.2556 14.2812 14.2812 14.3651 14.3651 14.5037 14.5037 14.5434 14.5434 14.6370 14.6370 k = 0.0500 0.0500-0.0000 ( 1843 PWs) bands (ev): 4.9093 4.9093 7.8163 7.8163 7.8237 7.8237 8.8536 8.8536 8.8567 8.8567 9.1777 9.1777 9.8409 9.8409 11.9275 11.9275 11.9553 11.9553 12.1363 12.1363 13.2923 13.2923 13.3163 13.3163 14.0345 14.0345 14.1328 14.1328 14.2323 14.2323 14.3042 14.3042 14.3313 14.3313 14.3988 14.3988 14.5132 14.5132 14.5567 14.5567 14.6591 14.6591 k = 0.0417 0.0417-0.0000 ( 1851 PWs) bands (ev): 4.8901 4.8901 7.8083 7.8083 7.8134 7.8134 8.8471 8.8471 8.8493 8.8493 9.1705 9.1705 9.8340 9.8340 11.9319 11.9319 11.9509 11.9509 12.1344 12.1344 13.2999 13.2999 13.3165 13.3165 14.0790 14.0790 14.1424 14.1424 14.2433 14.2433 14.3530 14.3530 14.3778 14.3778 14.4286 14.4286 14.5243 14.5243 14.5694 14.5694 14.6831 14.6831 k = 0.0333 0.0333-0.0000 ( 1851 PWs) bands (ev): 4.8743 4.8743 7.8017 7.8017 7.8049 7.8049 8.8419 8.8419 8.8432 8.8432 9.1647 9.1647 9.8284 9.8284 11.9352 11.9352 11.9472 11.9472 12.1332 12.1332 13.3060 13.3060 13.3166 13.3166 14.1119 14.1119 14.1496 14.1496 14.2511 14.2511 14.3988 14.3988 14.4165 14.4165 14.4521 14.4521 14.5388 14.5388 14.5812 14.5812 14.7083 14.7083 k = 0.0250 0.0250-0.0000 ( 1851 PWs) bands (ev): 4.8621 4.8621 7.7965 7.7965 7.7983 7.7983 8.8377 8.8377 8.8385 8.8385 9.1602 9.1602 9.8241 9.8241 11.9377 11.9377 11.9443 11.9443 12.1323 12.1323 13.3108 13.3108 13.3168 13.3168 14.1350 14.1350 14.1549 14.1549 14.2567 14.2567 14.4358 14.4358 14.4463 14.4463 14.4685 14.4685 14.5584 14.5584 14.5914 14.5914 14.7325 14.7325 k = 0.0167 0.0167-0.0000 ( 1847 PWs) bands (ev): 4.8533 4.8533 7.7928 7.7928 7.7937 7.7937 8.8348 8.8348 8.8351 8.8351 9.1570 9.1570 9.8210 9.8210 11.9393 11.9393 11.9422 11.9422 12.1319 12.1319 13.3142 13.3142 13.3169 13.3169 14.1501 14.1501 14.1586 14.1586 14.2606 14.2606 14.4595 14.4595 14.4679 14.4679 14.4787 14.4787 14.5808 14.5808 14.5994 14.5994 14.7529 14.7529 k = 0.0083 0.0083-0.0000 ( 1845 PWs) bands (ev): 4.8481 4.8481 7.7906 7.7906 7.7908 7.7908 8.8330 8.8330 8.8331 8.8331 9.1551 9.1551 9.8192 9.8192 11.9403 11.9403 11.9410 11.9410 12.1316 12.1316 13.3163 13.3163 13.3169 13.3169 14.1587 14.1587 14.1607 14.1607 14.2629 14.2629 14.4714 14.4714 14.4814 14.4814 14.4842 14.4842 14.5991 14.5991 14.6044 14.6044 14.7665 14.7665 k = 0.0000 0.0000 0.0000 ( 1839 PWs) bands (ev): 4.8463 4.8463 7.7899 7.7899 7.7899 7.7899 8.8325 8.8325 8.8325 8.8325 9.1545 9.1545 9.8187 9.8187 11.9406 11.9406 11.9406 11.9406 12.1316 12.1316 13.3170 13.3170 13.3170 13.3170 14.1615 14.1615 14.1615 14.1615 14.2638 14.2638 14.4750 14.4750 14.4859 14.4859 14.4859 14.4859 14.6062 14.6062 14.6062 14.6062 14.7713 14.7713 k = 0.0000 0.0000 0.0000 ( 1839 PWs) bands (ev): 4.8463 4.8463 7.7899 7.7899 7.7899 7.7899 8.8325 8.8325 8.8325 8.8325 9.1545 9.1545 9.8187 9.8187 11.9406 11.9406 11.9406 11.9406 12.1316 12.1316 13.3170 13.3170 13.3170 13.3170 14.1615 14.1615 14.1615 14.1615 14.2638 14.2638 14.4750 14.4750 14.4859 14.4859 14.4859 14.4859 14.6062 14.6062 14.6062 14.6062 14.7713 14.7713 k = 0.0068 0.0068 0.0068 ( 1845 PWs) bands (ev): 4.8481 4.8481 7.7907 7.7907 7.7908 7.7908 8.8330 8.8330 8.8331 8.8331 9.1551 9.1551 9.8192 9.8192 11.9403 11.9403 11.9410 11.9410 12.1316 12.1316 13.3164 13.3164 13.3167 13.3167 14.1586 14.1586 14.1607 14.1607 14.2629 14.2629 14.4714 14.4714 14.4816 14.4816 14.4839 14.4839 14.5994 14.5994 14.6040 14.6040 14.7665 14.7665 k = 0.0137 0.0137 0.0137 ( 1851 PWs) bands (ev): 4.8534 4.8534 7.7929 7.7929 7.7936 7.7936 8.8348 8.8348 8.8351 8.8351 9.1570 9.1570 9.8210 9.8210 11.9393 11.9393 11.9422 11.9422 12.1319 12.1319 13.3149 13.3149 13.3161 13.3161 14.1500 14.1500 14.1584 14.1584 14.2605 14.2605 14.4597 14.4597 14.4687 14.4687 14.4774 14.4774 14.5814 14.5814 14.5980 14.5980 14.7525 14.7525 k = 0.0205 0.0205 0.0205 ( 1851 PWs) bands (ev): 4.8623 4.8623 7.7967 7.7967 7.7984 7.7984 8.8378 8.8378 8.8386 8.8386 9.1603 9.1603 9.8242 9.8242 11.9376 11.9376 11.9444 11.9444 12.1324 12.1324 13.3124 13.3124 13.3151 13.3151 14.1349 14.1349 14.1546 14.1546 14.2566 14.2566 14.4380 14.4380 14.4470 14.4470 14.4652 14.4652 14.5584 14.5584 14.5889 14.5889 14.7314 14.7314 k = 0.0274 0.0274 0.0274 ( 1851 PWs) bands (ev): 4.8747 4.8747 7.8020 7.8020 7.8050 7.8050 8.8420 8.8420 8.8433 8.8433 9.1649 9.1649 9.8286 9.8286 11.9351 11.9351 11.9473 11.9473 12.1332 12.1332 13.3089 13.3089 13.3137 13.3137 14.1121 14.1121 14.1491 14.1491 14.2510 14.2510 14.4047 14.4047 14.4164 14.4164 14.4451 14.4451 14.5375 14.5375 14.5776 14.5776 14.7060 14.7060 k = 0.0342 0.0342 0.0342 ( 1848 PWs) bands (ev): 4.8906 4.8906 7.8088 7.8088 7.8135 7.8135 8.8473 8.8473 8.8495 8.8495 9.1708 9.1708 9.8342 9.8342 11.9316 11.9316 11.9511 11.9511 12.1345 12.1345 13.3043 13.3043 13.3119 13.3119 14.0799 14.0799 14.1414 14.1414 14.2433 14.2433 14.3622 14.3622 14.3778 14.3778 14.4156 14.4156 14.5216 14.5216 14.5649 14.5649 14.6797 14.6797 k = 0.0411 0.0411 0.0411 ( 1845 PWs) bands (ev): 4.9101 4.9101 7.8170 7.8170 7.8238 7.8238 8.8538 8.8538 8.8570 8.8570 9.1780 9.1780 9.8412 9.8412 11.9270 11.9270 11.9557 11.9557 12.1365 12.1365 13.2986 13.2986 13.3097 13.3097 14.0367 14.0367 14.1309 14.1309 14.2330 14.2330 14.3149 14.3149 14.3322 14.3322 14.3771 14.3771 14.5096 14.5096 14.5511 14.5511 14.6551 14.6551 k = 0.0479 0.0479 0.0479 ( 1848 PWs) bands (ev): 4.9330 4.9330 7.8266 7.8266 7.8360 7.8360 8.8613 8.8613 8.8658 8.8658 9.1864 9.1864 9.8493 9.8493 11.9209 11.9209 11.9610 11.9610 12.1391 12.1391 13.2917 13.2917 13.3072 13.3072 13.9818 13.9818 14.1165 14.1165 14.2176 14.2176 14.2673 14.2673 14.2818 14.2818 14.3321 14.3321 14.4997 14.4997 14.5364 14.5364 14.6339 14.6339 k = 0.0548 0.0548 0.0548 ( 1854 PWs) bands (ev): 4.9595 4.9595 7.8376 7.8376 7.8500 7.8500 8.8698 8.8698 8.8759 8.8759 9.1962 9.1962 9.8586 9.8586 11.9134 11.9134 11.9670 11.9670 12.1427 12.1427 13.2834 13.2834 13.3043 13.3043 13.9161 13.9161 14.0955 14.0955 14.1858 14.1858 14.2289 14.2289 14.2299 14.2299 14.2857 14.2857 14.4909 14.4909 14.5210 14.5210 14.6162 14.6162 k = 0.0616 0.0616 0.0616 ( 1854 PWs) bands (ev): 4.9893 4.9893 7.8500 7.8500 7.8659 7.8659 8.8793 8.8793 8.8874 8.8874 9.2073 9.2073 9.8691 9.8691 11.9044 11.9044 11.9738 11.9738 12.1473 12.1473 13.2736 13.2736 13.3012 13.3012 13.8420 13.8420 14.0635 14.0635 14.1285 14.1285 14.1819 14.1819 14.2053 14.2053 14.2428 14.2428 14.4827 14.4827 14.5052 14.5052 14.6014 14.6014 k = 0.0685 0.0685 0.0685 ( 1854 PWs) bands (ev): 5.0226 5.0226 7.8637 7.8637 7.8836 7.8836 8.8897 8.8897 8.9002 8.9002 9.2197 9.2197 9.8809 9.8809 11.8937 11.8937 11.9811 11.9811 12.1529 12.1529 13.2620 13.2620 13.2978 13.2978 13.7621 13.7621 14.0159 14.0159 14.0570 14.0570 14.1431 14.1431 14.1831 14.1831 14.2061 14.2061 14.4751 14.4751 14.4891 14.4891 14.5891 14.5891 k = 0.0753 0.0753 0.0753 ( 1854 PWs) bands (ev): 5.0592 5.0592 7.8786 7.8786 7.9030 7.9030 8.9010 8.9010 8.9143 8.9143 9.2333 9.2333 9.8936 9.8936 11.8813 11.8813 11.9891 11.9891 12.1596 12.1596 13.2480 13.2480 13.2942 13.2942 13.6792 13.6792 13.9543 13.9543 13.9775 13.9775 14.1125 14.1125 14.1548 14.1548 14.1773 14.1773 14.4678 14.4678 14.4730 14.4730 14.5784 14.5784 k = 0.0822 0.0822 0.0822 ( 1851 PWs) bands (ev): 5.0992 5.0992 7.8947 7.8947 7.9243 7.9243 8.9129 8.9129 8.9296 8.9296 9.2482 9.2482 9.9075 9.9075 11.8674 11.8674 11.9976 11.9976 12.1673 12.1673 13.2306 13.2306 13.2906 13.2906 13.5959 13.5959 13.8839 13.8839 13.8929 13.8929 14.0854 14.0854 14.1214 14.1214 14.1530 14.1530 14.4571 14.4571 14.4609 14.4609 14.5690 14.5690 k = 0.0890 0.0890 0.0890 ( 1845 PWs) bands (ev): 5.1425 5.1425 7.9119 7.9119 7.9473 7.9473 8.9255 8.9255 8.9463 8.9463 9.2645 9.2645 9.9223 9.9223 11.8514 11.8514 12.0067 12.0067 12.1761 12.1761 13.2080 13.2080 13.2867 13.2867 13.5152 13.5152 13.8050 13.8050 13.8082 13.8082 14.0588 14.0588 14.0862 14.0862 14.1287 14.1287 14.4420 14.4420 14.4545 14.4545 14.5607 14.5607 k = 0.0959 0.0959 0.0959 ( 1845 PWs) bands (ev): 5.1891 5.1891 7.9301 7.9301 7.9720 7.9720 8.9385 8.9385 8.9641 8.9641 9.2821 9.2821 9.9382 9.9382 11.8335 11.8335 12.0161 12.0161 12.1858 12.1858 13.1771 13.1771 13.2825 13.2825 13.4409 13.4409 13.7152 13.7152 13.7295 13.7295 14.0310 14.0310 14.0500 14.0500 14.1030 14.1030 14.4274 14.4274 14.4484 14.4484 14.5531 14.5531 k = 0.1027 0.1027 0.1027 ( 1845 PWs) bands (ev): 5.2388 5.2388 7.9493 7.9493 7.9983 7.9983 8.9520 8.9520 8.9832 8.9832 9.3009 9.3009 9.9549 9.9549 11.8137 11.8137 12.0259 12.0259 12.1963 12.1963 13.1343 13.1343 13.2781 13.2781 13.3774 13.3774 13.6245 13.6245 13.6489 13.6489 14.0014 14.0014 14.0128 14.0128 14.0756 14.0756 14.4137 14.4137 14.4426 14.4426 14.5462 14.5462 k = 0.1096 0.1096 0.1096 ( 1845 PWs) bands (ev): 5.2917 5.2917 7.9693 7.9693 8.0264 8.0264 8.9657 8.9657 9.0035 9.0035 9.3210 9.3210 9.9726 9.9726 11.7922 11.7922 12.0360 12.0360 12.2075 12.2075 13.0775 13.0775 13.2732 13.2732 13.3270 13.3270 13.5342 13.5342 13.5676 13.5676 13.9698 13.9698 13.9747 13.9747 14.0464 14.0464 14.4010 14.4010 14.4371 14.4371 14.5397 14.5397 k = 0.1164 0.1164 0.1164 ( 1845 PWs) bands (ev): 5.3477 5.3477 7.9901 7.9901 8.0560 8.0560 8.9794 8.9794 9.0249 9.0249 9.3425 9.3425 9.9910 9.9910 11.7687 11.7687 12.0464 12.0464 12.2193 12.2193 13.0088 13.0088 13.2673 13.2673 13.2870 13.2870 13.4461 13.4461 13.4866 13.4866 13.9357 13.9357 13.9362 13.9362 14.0155 14.0155 14.3892 14.3892 14.4320 14.4320 14.5336 14.5336 k = 0.1233 0.1233 0.1233 ( 1851 PWs) bands (ev): 5.4066 5.4066 8.0115 8.0115 8.0873 8.0873 8.9931 8.9931 9.0475 9.0475 9.3652 9.3652 10.0100 10.0100 11.7433 11.7433 12.0567 12.0567 12.2315 12.2315 12.9328 12.9328 13.2494 13.2494 13.2586 13.2586 13.3645 13.3645 13.4080 13.4080 13.8960 13.8960 13.9008 13.9008 13.9829 13.9829 14.3784 14.3784 14.4272 14.4272 14.5279 14.5279 k = 0.1301 0.1301 0.1301 ( 1851 PWs) bands (ev): 5.4685 5.4685 8.0334 8.0334 8.1200 8.1200 9.0066 9.0066 9.0714 9.0714 9.3893 9.3893 10.0297 10.0297 11.7161 11.7161 12.0671 12.0671 12.2439 12.2439 12.8536 12.8536 13.2006 13.2006 13.2408 13.2408 13.3003 13.3003 13.3388 13.3388 13.8558 13.8558 13.8639 13.8639 13.9488 13.9488 14.3685 14.3685 14.4226 14.4226 14.5225 14.5225 k = 0.1370 0.1370 0.1370 ( 1851 PWs) bands (ev): 5.5332 5.5332 8.0556 8.0556 8.1543 8.1543 9.0197 9.0197 9.0963 9.0963 9.4146 9.4146 10.0498 10.0498 11.6870 11.6870 12.0775 12.0775 12.2564 12.2564 12.7740 12.7740 13.1312 13.1312 13.1970 13.1970 13.2608 13.2608 13.2961 13.2961 13.8154 13.8154 13.8258 13.8258 13.9133 13.9133 14.3594 14.3594 14.4183 14.4183 14.5173 14.5173 k = 0.1438 0.1438 0.1438 ( 1845 PWs) bands (ev): 5.6007 5.6007 8.0782 8.0782 8.1901 8.1901 9.0321 9.0321 9.1224 9.1224 9.4414 9.4414 10.0702 10.0702 11.6561 11.6561 12.0877 12.0877 12.2688 12.2688 12.6958 12.6958 13.0511 13.0511 13.1286 13.1286 13.2354 13.2354 13.2788 13.2788 13.7750 13.7750 13.7870 13.7870 13.8766 13.8766 14.3510 14.3510 14.4142 14.4142 14.5124 14.5124 k = 0.1507 0.1507 0.1507 ( 1851 PWs) bands (ev): 5.6708 5.6708 8.1007 8.1007 8.2272 8.2272 9.0438 9.0438 9.1496 9.1496 9.4694 9.4694 10.0907 10.0907 11.6234 11.6234 12.0976 12.0976 12.2807 12.2807 12.6201 12.6201 12.9685 12.9685 13.0526 13.0526 13.2153 13.2153 13.2698 13.2698 13.7350 13.7350 13.7478 13.7478 13.8385 13.8385 14.3432 14.3432 14.4102 14.4102 14.5076 14.5076 k = 0.1575 0.1575 0.1575 ( 1851 PWs) bands (ev): 5.7434 5.7434 8.1232 8.1232 8.2657 8.2657 9.0544 9.0544 9.1779 9.1779 9.4987 9.4987 10.1110 10.1110 11.5890 11.5890 12.1072 12.1072 12.2918 12.2918 12.5481 12.5481 12.8866 12.8866 12.9754 12.9754 13.1972 13.1972 13.2628 13.2628 13.6959 13.6959 13.7091 13.7091 13.7995 13.7995 14.3360 14.3360 14.4064 14.4064 14.5029 14.5029 k = 0.1644 0.1644 0.1644 ( 1845 PWs) bands (ev): 5.8185 5.8185 8.1455 8.1455 8.3055 8.3055 9.0639 9.0639 9.2073 9.2073 9.5292 9.5292 10.1310 10.1310 11.5533 11.5533 12.1163 12.1163 12.3013 12.3013 12.4810 12.4810 12.8068 12.8068 12.8991 12.8991 13.1798 13.1798 13.2558 13.2558 13.6582 13.6582 13.6716 13.6716 13.7596 13.7596 14.3293 14.3293 14.4028 14.4028 14.4984 14.4984 k = 0.1712 0.1712 0.1712 ( 1845 PWs) bands (ev): 5.8958 5.8958 8.1673 8.1673 8.3465 8.3465 9.0720 9.0720 9.2378 9.2378 9.5609 9.5609 10.1502 10.1502 11.5165 11.5165 12.1248 12.1248 12.3070 12.3070 12.4211 12.4211 12.7296 12.7296 12.8243 12.8243 13.1620 13.1620 13.2474 13.2474 13.6224 13.6224 13.6362 13.6362 13.7189 13.7189 14.3229 14.3229 14.3993 14.3993 14.4940 14.4940 k = 0.1781 0.1781 0.1781 ( 1857 PWs) bands (ev): 5.9752 5.9752 8.1885 8.1885 8.3887 8.3887 9.0784 9.0784 9.2693 9.2693 9.5937 9.5937 10.1684 10.1684 11.4789 11.4789 12.1325 12.1325 12.3010 12.3010 12.3762 12.3762 12.6556 12.6556 12.7515 12.7515 13.1434 13.1434 13.2366 13.2366 13.5890 13.5890 13.6039 13.6039 13.6773 13.6773 14.3170 14.3170 14.3958 14.3958 14.4897 14.4897 k = 0.1849 0.1849 0.1849 ( 1857 PWs) bands (ev): 6.0566 6.0566 8.2090 8.2090 8.4320 8.4320 9.0831 9.0831 9.3018 9.3018 9.6275 9.6275 10.1852 10.1852 11.4416 11.4416 12.1395 12.1395 12.2707 12.2707 12.3592 12.3592 12.5857 12.5857 12.6816 12.6816 13.1233 13.1233 13.2224 13.2224 13.5591 13.5591 13.5762 13.5762 13.6353 13.6353 14.3114 14.3114 14.3925 14.3925 14.4855 14.4855 k = 0.1918 0.1918 0.1918 ( 1851 PWs) bands (ev): 6.1398 6.1398 8.2284 8.2284 8.4764 8.4764 9.0859 9.0859 9.3354 9.3354 9.6621 9.6621 10.2002 10.2002 11.4051 11.4051 12.1453 12.1453 12.2273 12.2273 12.3580 12.3580 12.5207 12.5207 12.6148 12.6148 13.1013 13.1013 13.2040 13.2040 13.5331 13.5331 13.5540 13.5540 13.5930 13.5930 14.3060 14.3060 14.3892 14.3892 14.4814 14.4814 k = 0.1986 0.1986 0.1986 ( 1851 PWs) bands (ev): 6.2245 6.2245 8.2467 8.2467 8.5217 8.5217 9.0865 9.0865 9.3700 9.3700 9.6973 9.6973 10.2129 10.2129 11.3706 11.3706 12.1499 12.1499 12.1834 12.1834 12.3583 12.3583 12.4622 12.4622 12.5515 12.5515 13.0769 13.0769 13.1805 13.1805 13.5115 13.5115 13.5380 13.5380 13.5502 13.5502 14.3009 14.3009 14.3860 14.3860 14.4774 14.4774 k = 0.2055 0.2055 0.2055 ( 1851 PWs) bands (ev): 6.3106 6.3106 8.2636 8.2636 8.5678 8.5678 9.0849 9.0849 9.4055 9.4055 9.7328 9.7328 10.2230 10.2230 11.3390 11.3390 12.1422 12.1422 12.1527 12.1527 12.3508 12.3508 12.4166 12.4166 12.4926 12.4926 13.0499 13.0499 13.1521 13.1521 13.4948 13.4948 13.5071 13.5071 13.5285 13.5285 14.2961 14.2961 14.3829 14.3829 14.4734 14.4734 k = 0.2123 0.2123 0.2123 ( 1869 PWs) bands (ev): 6.3979 6.3979 8.2789 8.2789 8.6147 8.6147 9.0809 9.0809 9.4419 9.4419 9.7679 9.7679 10.2305 10.2305 11.3115 11.3115 12.1043 12.1043 12.1528 12.1528 12.3223 12.3223 12.3957 12.3957 12.4388 12.4388 13.0201 13.0201 13.1191 13.1191 13.4637 13.4637 13.4830 13.4830 13.5249 13.5249 14.2913 14.2913 14.3798 14.3798 14.4693 14.4693 k = 0.2192 0.2192 0.2192 ( 1857 PWs) bands (ev): 6.4860 6.4860 8.2926 8.2926 8.6623 8.6623 9.0744 9.0744 9.4792 9.4792 9.8020 9.8020 10.2356 10.2356 11.2893 11.2893 12.0702 12.0702 12.1502 12.1502 12.2818 12.2818 12.3914 12.3914 12.3917 12.3917 12.9880 12.9880 13.0827 13.0827 13.4204 13.4204 13.4764 13.4764 13.5268 13.5268 14.2868 14.2868 14.3767 14.3767 14.4655 14.4655 k = 0.2260 0.2260 0.2260 ( 1857 PWs) bands (ev): 6.5748 6.5748 8.3044 8.3044 8.7103 8.7103 9.0655 9.0655 9.5172 9.5172 9.8339 9.8339 10.2390 10.2390 11.2730 11.2730 12.0394 12.0394 12.1428 12.1428 12.2415 12.2415 12.3517 12.3517 12.3913 12.3913 12.9538 12.9538 13.0434 13.0434 13.3771 13.3771 13.4744 13.4744 13.5332 13.5332 14.2825 14.2825 14.3738 14.3738 14.4617 14.4617 k = 0.2329 0.2329 0.2329 ( 1857 PWs) bands (ev): 6.6639 6.6639 8.3142 8.3142 8.7587 8.7587 9.0540 9.0540 9.5560 9.5560 9.8617 9.8617 10.2423 10.2423 11.2633 11.2633 12.0121 12.0121 12.1298 12.1298 12.2051 12.2051 12.3212 12.3212 12.3912 12.3912 12.9177 12.9177 13.0022 13.0022 13.3339 13.3339 13.4769 13.4769 13.5435 13.5435 14.2783 14.2783 14.3708 14.3708 14.4579 14.4579 k = 0.2397 0.2397 0.2397 ( 1854 PWs) bands (ev): 6.7529 6.7529 8.3219 8.3219 8.8073 8.8073 9.0401 9.0401 9.5954 9.5954 9.8834 9.8834 10.2482 10.2482 11.2606 11.2606 11.9880 11.9880 12.1110 12.1110 12.1733 12.1733 12.3003 12.3003 12.3908 12.3908 12.8804 12.8804 12.9597 12.9597 13.2910 13.2910 13.4834 13.4834 13.5569 13.5569 14.2742 14.2742 14.3680 14.3680 14.4542 14.4542 k = 0.2466 0.2466 0.2466 ( 1854 PWs) bands (ev): 6.8416 6.8416 8.3274 8.3274 8.8557 8.8557 9.0239 9.0239 9.6353 9.6353 9.8963 9.8963 10.2594 10.2594 11.2649 11.2649 11.9671 11.9671 12.0877 12.0877 12.1465 12.1465 12.2878 12.2878 12.3897 12.3897 12.8422 12.8422 12.9164 12.9164 13.2482 13.2482 13.4935 13.4935 13.5731 13.5731 14.2703 14.2703 14.3651 14.3651 14.4506 14.4506 k = 0.2534 0.2534 0.2534 ( 1854 PWs) bands (ev): 6.9296 6.9296 8.3306 8.3306 8.9032 8.9032 9.0058 9.0058 9.6756 9.6756 9.8989 9.8989 10.2788 10.2788 11.2758 11.2758 11.9494 11.9494 12.0625 12.0625 12.1246 12.1246 12.2815 12.2815 12.3879 12.3879 12.8034 12.8034 12.8729 12.8729 13.2058 13.2058 13.5067 13.5067 13.5916 13.5916 14.2665 14.2665 14.3623 14.3623 14.4470 14.4470 k = 0.2603 0.2603 0.2603 ( 1854 PWs) bands (ev): 7.0164 7.0164 8.3315 8.3315 8.9464 8.9464 8.9893 8.9893 9.7161 9.7161 9.8910 9.8910 10.3072 10.3072 11.2930 11.2930 11.9351 11.9351 12.0373 12.0373 12.1075 12.1075 12.2794 12.2794 12.3856 12.3856 12.7644 12.7644 12.8294 12.8294 13.1638 13.1638 13.5227 13.5227 13.6120 13.6120 14.2629 14.2629 14.3596 14.3596 14.4435 14.4435 k = 0.2671 0.2671 0.2671 ( 1842 PWs) bands (ev): 7.1017 7.1017 8.3301 8.3301 8.9529 8.9529 9.0063 9.0063 9.7568 9.7568 9.8744 9.8744 10.3444 10.3444 11.3160 11.3160 11.9242 11.9242 12.0137 12.0137 12.0950 12.0950 12.2803 12.2803 12.3828 12.3828 12.7257 12.7257 12.7864 12.7864 13.1223 13.1223 13.5412 13.5412 13.6341 13.6341 14.2594 14.2594 14.3569 14.3569 14.4401 14.4401 k = 0.2740 0.2740 0.2740 ( 1848 PWs) bands (ev): 7.1850 7.1850 8.3264 8.3264 8.9307 8.9307 9.0483 9.0483 9.7973 9.7973 9.8520 9.8520 10.3889 10.3889 11.3435 11.3435 11.9167 11.9167 11.9927 11.9927 12.0870 12.0870 12.2833 12.2833 12.3797 12.3797 12.6871 12.6871 12.7438 12.7438 13.0813 13.0813 13.5618 13.5618 13.6576 13.6576 14.2560 14.2560 14.3542 14.3542 14.4366 14.4366 k = 0.2808 0.2808 0.2808 ( 1848 PWs) bands (ev): 7.2658 7.2658 8.3204 8.3204 8.9045 8.9045 9.0901 9.0901 9.8267 9.8267 9.8376 9.8376 10.4394 10.4394 11.3753 11.3753 11.9127 11.9127 11.9747 11.9747 12.0831 12.0831 12.2880 12.2880 12.3764 12.3764 12.6491 12.6491 12.7021 12.7021 13.0409 13.0409 13.5843 13.5843 13.6824 13.6824 14.2527 14.2527 14.3516 14.3516 14.4333 14.4333 k = 0.2877 0.2877 0.2877 ( 1848 PWs) bands (ev): 7.3437 7.3437 8.3123 8.3123 8.8764 8.8764 9.1286 9.1286 9.8014 9.8014 9.8775 9.8775 10.4949 10.4949 11.4108 11.4108 11.9123 11.9123 11.9600 11.9600 12.0834 12.0834 12.2940 12.2940 12.3732 12.3732 12.6118 12.6118 12.6615 12.6615 13.0011 13.0011 13.6085 13.6085 13.7084 13.7084 14.2496 14.2496 14.3491 14.3491 14.4300 14.4300 k = 0.2945 0.2945 0.2945 ( 1848 PWs) bands (ev): 7.4183 7.4183 8.3021 8.3021 8.8470 8.8470 9.1619 9.1619 9.7792 9.7792 9.9168 9.9168 10.5546 10.5546 11.4492 11.4492 11.9156 11.9156 11.9488 11.9488 12.0874 12.0874 12.3014 12.3014 12.3703 12.3703 12.5755 12.5755 12.6224 12.6224 12.9622 12.9622 13.6338 13.6338 13.7350 13.7350 14.2467 14.2467 14.3466 14.3466 14.4268 14.4268 k = 0.3014 0.3014 0.3014 ( 1848 PWs) bands (ev): 7.4891 7.4891 8.2900 8.2900 8.8167 8.8167 9.1880 9.1880 9.7628 9.7628 9.9552 9.9552 10.6180 10.6180 11.4900 11.4900 11.9226 11.9226 11.9410 11.9410 12.0954 12.0954 12.3099 12.3099 12.3678 12.3678 12.5404 12.5404 12.5850 12.5850 12.9241 12.9241 13.6602 13.6602 13.7623 13.7623 14.2439 14.2439 14.3441 14.3441 14.4237 14.4237 k = 0.3082 0.3082 0.3082 ( 1836 PWs) bands (ev): 7.5557 7.5557 8.2761 8.2761 8.7859 8.7859 9.2051 9.2051 9.7549 9.7549 9.9926 9.9926 10.6846 10.6846 11.5329 11.5329 11.9333 11.9333 11.9366 11.9366 12.1069 12.1069 12.3193 12.3193 12.3661 12.3661 12.5067 12.5067 12.5500 12.5500 12.8871 12.8871 13.6875 13.6875 13.7901 13.7901 14.2415 14.2415 14.3419 14.3419 14.4208 14.4208 k = 0.3151 0.3151 0.3151 ( 1836 PWs) bands (ev): 7.6176 7.6176 8.2605 8.2605 8.7547 8.7547 9.2118 9.2118 9.7574 9.7574 10.0287 10.0287 10.7541 10.7541 11.5768 11.5768 11.9353 11.9353 11.9477 11.9477 12.1220 12.1220 12.3289 12.3289 12.3652 12.3652 12.4745 12.4745 12.5182 12.5182 12.8508 12.8508 13.7153 13.7153 13.8181 13.8181 14.2391 14.2391 14.3396 14.3396 14.4179 14.4179 k = 0.3219 0.3219 0.3219 ( 1830 PWs) bands (ev): 7.6746 7.6746 8.2434 8.2434 8.7237 8.7237 9.2081 9.2081 9.7705 9.7705 10.0635 10.0635 10.8261 10.8261 11.6216 11.6216 11.9369 11.9369 11.9658 11.9658 12.1406 12.1406 12.3376 12.3376 12.3653 12.3653 12.4445 12.4445 12.4913 12.4913 12.8155 12.8155 13.7437 13.7437 13.8463 13.8463 14.2370 14.2370 14.3373 14.3373 14.4150 14.4150 k = 0.3288 0.3288 0.3288 ( 1830 PWs) bands (ev): 7.7262 7.7262 8.2251 8.2251 8.6930 8.6930 9.1954 9.1954 9.7931 9.7931 10.0967 10.0967 10.9002 10.9002 11.6667 11.6667 11.9408 11.9408 11.9875 11.9875 12.1625 12.1625 12.3423 12.3423 12.3657 12.3657 12.4180 12.4180 12.4725 12.4725 12.7813 12.7813 13.7723 13.7723 13.8745 13.8745 14.2350 14.2350 14.3351 14.3351 14.4123 14.4123 k = 0.3356 0.3356 0.3356 ( 1830 PWs) bands (ev): 7.7722 7.7722 8.2057 8.2057 8.6630 8.6630 9.1758 9.1758 9.8234 9.8234 10.1283 10.1283 10.9759 10.9759 11.7116 11.7116 11.9466 11.9466 12.0125 12.0125 12.1872 12.1872 12.3394 12.3394 12.3626 12.3626 12.3999 12.3999 12.4661 12.4661 12.7483 12.7483 13.8010 13.8010 13.9025 13.9025 14.2334 14.2334 14.3330 14.3330 14.4096 14.4096 k = 0.3425 0.3425 0.3425 ( 1836 PWs) bands (ev): 7.8124 7.8124 8.1854 8.1854 8.6339 8.6339 9.1515 9.1515 9.8592 9.8592 10.1580 10.1580 11.0527 11.0527 11.7561 11.7561 11.9539 11.9539 12.0404 12.0404 12.2138 12.2138 12.3277 12.3277 12.3496 12.3496 12.3981 12.3981 12.4734 12.4734 12.7163 12.7163 13.8296 13.8296 13.9301 13.9301 14.2322 14.2322 14.3309 14.3309 14.4071 14.4071 k = 0.3493 0.3493 0.3493 ( 1842 PWs) bands (ev): 7.8468 7.8468 8.1644 8.1644 8.6060 8.6060 9.1245 9.1245 9.8983 9.8983 10.1859 10.1859 11.1298 11.1298 11.8002 11.8002 11.9618 11.9618 12.0704 12.0704 12.2401 12.2401 12.3109 12.3109 12.3342 12.3342 12.4090 12.4090 12.4918 12.4918 12.6858 12.6858 13.8580 13.8580 13.9571 13.9571 14.2313 14.2313 14.3288 14.3288 14.4046 14.4046 k = 0.3562 0.3562 0.3562 ( 1848 PWs) bands (ev): 7.8753 7.8753 8.1429 8.1429 8.5795 8.5795 9.0964 9.0964 9.9395 9.9395 10.2119 10.2119 11.2064 11.2064 11.8439 11.8439 11.9698 11.9698 12.1010 12.1010 12.2592 12.2592 12.2924 12.2924 12.3284 12.3284 12.4288 12.4288 12.5181 12.5181 12.6567 12.6567 13.8861 13.8861 13.9834 13.9834 14.2310 14.2310 14.3268 14.3268 14.4022 14.4022 k = 0.3630 0.3630 0.3630 ( 1842 PWs) bands (ev): 7.8980 7.8980 8.1212 8.1212 8.5543 8.5543 9.0684 9.0684 9.9814 9.9814 10.2360 10.2360 11.2817 11.2817 11.8873 11.8873 11.9770 11.9770 12.1299 12.1299 12.2630 12.2630 12.2750 12.2750 12.3428 12.3428 12.4575 12.4575 12.5506 12.5506 12.6298 12.6298 13.9139 13.9139 14.0088 14.0088 14.2313 14.2313 14.3250 14.3250 14.4000 14.4000 k = 0.3699 0.3699 0.3699 ( 1845 PWs) bands (ev): 7.9151 7.9151 8.0993 8.0993 8.5307 8.5307 9.0412 9.0412 10.0230 10.0230 10.2580 10.2580 11.3543 11.3543 11.9306 11.9306 11.9826 11.9826 12.1531 12.1531 12.2598 12.2598 12.2602 12.2602 12.3722 12.3722 12.4945 12.4945 12.5883 12.5883 12.6062 12.6062 13.9409 13.9409 14.0327 14.0327 14.2324 14.2324 14.3232 14.3232 14.3979 14.3979 k = 0.3767 0.3767 0.3767 ( 1845 PWs) bands (ev): 7.9270 7.9270 8.0775 8.0775 8.5084 8.5084 9.0155 9.0155 10.0637 10.0637 10.2782 10.2782 11.4234 11.4234 11.9736 11.9736 11.9860 11.9860 12.1659 12.1659 12.2478 12.2478 12.2630 12.2630 12.4091 12.4091 12.5335 12.5335 12.5924 12.5924 12.6310 12.6310 13.9671 13.9671 14.0550 14.0550 14.2345 14.2345 14.3214 14.3214 14.3959 14.3959 k = 0.3836 0.3836 0.3836 ( 1851 PWs) bands (ev): 7.9341 7.9341 8.0559 8.0559 8.4875 8.4875 8.9917 8.9917 10.1029 10.1029 10.2965 10.2965 11.4877 11.4877 11.9866 11.9866 12.0154 12.0154 12.1683 12.1683 12.2393 12.2393 12.2747 12.2747 12.4496 12.4496 12.5470 12.5470 12.6177 12.6177 12.6781 12.6781 13.9924 13.9924 14.0753 14.0753 14.2378 14.2378 14.3198 14.3198 14.3940 14.3940 k = 0.3904 0.3904 0.3904 ( 1845 PWs) bands (ev): 7.9371 7.9371 8.0347 8.0347 8.4677 8.4677 8.9701 8.9701 10.1402 10.1402 10.3130 10.3130 11.5467 11.5467 11.9844 11.9844 12.0536 12.0536 12.1672 12.1672 12.2346 12.2346 12.2922 12.2922 12.4802 12.4802 12.5548 12.5548 12.6750 12.6750 12.7298 12.7298 14.0167 14.0167 14.0933 14.0933 14.2427 14.2427 14.3182 14.3182 14.3923 14.3923 k = 0.3973 0.3973 0.3973 ( 1844 PWs) bands (ev): 7.9366 7.9366 8.0140 8.0140 8.4489 8.4489 8.9509 8.9509 10.1752 10.1752 10.3278 10.3278 11.5998 11.5998 11.9795 11.9795 12.0817 12.0817 12.1721 12.1721 12.2333 12.2333 12.3131 12.3131 12.4805 12.4805 12.5974 12.5974 12.7422 12.7422 12.7855 12.7855 14.0398 14.0398 14.1086 14.1086 14.2493 14.2493 14.3166 14.3166 14.3907 14.3907 k = 0.4041 0.4041 0.4041 ( 1844 PWs) bands (ev): 7.9330 7.9330 7.9941 7.9941 8.4310 8.4310 8.9340 8.9340 10.2079 10.2079 10.3410 10.3410 11.6469 11.6469 11.9723 11.9723 12.0929 12.0929 12.1902 12.1902 12.2348 12.2348 12.3374 12.3374 12.4677 12.4677 12.6604 12.6604 12.8151 12.8151 12.8452 12.8452 14.0616 14.0616 14.1211 14.1211 14.2577 14.2577 14.3152 14.3152 14.3893 14.3893 k = 0.4110 0.4110 0.4110 ( 1844 PWs) bands (ev): 7.9273 7.9273 7.9749 7.9749 8.4139 8.4139 8.9194 8.9194 10.2380 10.2380 10.3527 10.3527 11.6882 11.6882 11.9636 11.9636 12.0915 12.0915 12.2160 12.2160 12.2385 12.2385 12.3659 12.3659 12.4538 12.4538 12.7321 12.7321 12.8922 12.8922 12.9085 12.9085 14.0820 14.0820 14.1308 14.1308 14.2677 14.2677 14.3138 14.3138 14.3880 14.3880 k = 0.4178 0.4178 0.4178 ( 1847 PWs) bands (ev): 7.9199 7.9199 7.9567 7.9567 8.3975 8.3975 8.9069 8.9069 10.2656 10.2656 10.3630 10.3630 11.7240 11.7240 11.9538 11.9538 12.0853 12.0853 12.2406 12.2406 12.2437 12.2437 12.3954 12.3954 12.4458 12.4458 12.8089 12.8089 12.9728 12.9728 12.9751 12.9751 14.1008 14.1008 14.1380 14.1380 14.2789 14.2789 14.3125 14.3125 14.3868 14.3868 k = 0.4247 0.4247 0.4247 ( 1841 PWs) bands (ev): 7.9114 7.9114 7.9396 7.9396 8.3818 8.3818 8.8963 8.8963 10.2905 10.2905 10.3720 10.3720 11.7549 11.7549 11.9438 11.9438 12.0780 12.0780 12.2498 12.2498 12.2607 12.2607 12.4063 12.4063 12.4638 12.4638 12.8891 12.8891 13.0447 13.0447 13.0559 13.0559 14.1179 14.1179 14.1432 14.1432 14.2909 14.2909 14.3114 14.3114 14.3858 14.3858 k = 0.4315 0.4315 0.4315 ( 1853 PWs) bands (ev): 7.9022 7.9022 7.9236 7.9236 8.3669 8.3669 8.8874 8.8874 10.3128 10.3128 10.3798 10.3798 11.7811 11.7811 11.9336 11.9336 12.0707 12.0707 12.2563 12.2563 12.2760 12.2760 12.3988 12.3988 12.5057 12.5057 12.9712 12.9712 13.1170 13.1170 13.1405 13.1405 14.1330 14.1330 14.1466 14.1466 14.3030 14.3030 14.3101 14.3101 14.3849 14.3849 k = 0.4384 0.4384 0.4384 ( 1856 PWs) bands (ev): 7.8929 7.8929 7.9089 7.9089 8.3530 8.3530 8.8800 8.8800 10.3326 10.3326 10.3865 10.3865 11.8034 11.8034 11.9237 11.9237 12.0642 12.0642 12.2629 12.2629 12.2874 12.2874 12.3893 12.3893 12.5540 12.5540 13.0542 13.0542 13.1915 13.1915 13.2256 13.2256 14.1460 14.1460 14.1487 14.1487 14.3089 14.3089 14.3147 14.3147 14.3841 14.3841 k = 0.4452 0.4452 0.4452 ( 1856 PWs) bands (ev): 7.8838 7.8838 7.8955 7.8955 8.3401 8.3401 8.8740 8.8740 10.3499 10.3499 10.3923 10.3923 11.8219 11.8219 11.9146 11.9146 12.0588 12.0588 12.2694 12.2694 12.2954 12.2954 12.3814 12.3814 12.6040 12.6040 13.1370 13.1370 13.2678 13.2678 13.3099 13.3099 14.1497 14.1497 14.1564 14.1564 14.3076 14.3076 14.3258 14.3258 14.3834 14.3834 k = 0.4521 0.4521 0.4521 ( 1856 PWs) bands (ev): 7.8752 7.8752 7.8835 7.8835 8.3283 8.3283 8.8691 8.8691 10.3649 10.3649 10.3971 10.3971 11.8370 11.8370 11.9062 11.9062 12.0545 12.0545 12.2754 12.2754 12.3003 12.3003 12.3755 12.3755 12.6535 12.6535 13.2187 13.2187 13.3453 13.3453 13.3921 13.3921 14.1496 14.1496 14.1638 14.1638 14.3063 14.3063 14.3359 14.3359 14.3827 14.3827 k = 0.4589 0.4589 0.4589 ( 1856 PWs) bands (ev): 7.8672 7.8672 7.8730 7.8730 8.3178 8.3178 8.8651 8.8651 10.3776 10.3776 10.4011 10.4011 11.8491 11.8491 11.8987 11.8987 12.0512 12.0512 12.2809 12.2809 12.3025 12.3025 12.3721 12.3721 12.7010 12.7010 13.2982 13.2982 13.4233 13.4233 13.4711 13.4711 14.1484 14.1484 14.1672 14.1672 14.3049 14.3049 14.3444 14.3444 14.3820 14.3820 k = 0.4658 0.4658 0.4658 ( 1856 PWs) bands (ev): 7.8602 7.8602 7.8640 7.8640 8.3088 8.3088 8.8620 8.8620 10.3882 10.3882 10.4044 10.4044 11.8586 11.8586 11.8923 11.8923 12.0490 12.0490 12.2857 12.2857 12.3027 12.3027 12.3706 12.3706 12.7450 12.7450 13.3739 13.3739 13.5008 13.5008 13.5455 13.5455 14.1457 14.1457 14.1656 14.1656 14.3029 14.3029 14.3509 14.3509 14.3809 14.3809 k = 0.4726 0.4726 0.4726 ( 1856 PWs) bands (ev): 7.8543 7.8543 7.8566 7.8566 8.3013 8.3013 8.8595 8.8595 10.3967 10.3967 10.4071 10.4071 11.8658 11.8658 11.8869 11.8869 12.0476 12.0476 12.2898 12.2898 12.3017 12.3017 12.3705 12.3705 12.7840 12.7840 13.4438 13.4438 13.5763 13.5763 13.6140 13.6140 14.1409 14.1409 14.1577 14.1577 14.2999 14.2999 14.3545 14.3545 14.3760 14.3761 k = 0.4795 0.4795 0.4795 ( 1856 PWs) bands (ev): 7.8495 7.8495 7.8508 7.8508 8.2953 8.2953 8.8577 8.8577 10.4032 10.4032 10.4090 10.4090 11.8711 11.8711 11.8827 11.8827 12.0467 12.0467 12.2930 12.2930 12.3001 12.3001 12.3711 12.3711 12.8165 12.8165 13.5051 13.5051 13.6472 13.6472 13.6746 13.6746 14.1334 14.1334 14.1435 14.1435 14.2952 14.2952 14.3510 14.3510 14.3534 14.3534 k = 0.4863 0.4863 0.4863 ( 1856 PWs) bands (ev): 7.8461 7.8461 7.8466 7.8466 8.2910 8.2910 8.8565 8.8565 10.4079 10.4079 10.4104 10.4104 11.8746 11.8746 11.8797 11.8797 12.0463 12.0463 12.2953 12.2953 12.2986 12.2986 12.3718 12.3718 12.8410 12.8410 13.5541 13.5541 13.7089 13.7089 13.7244 13.7244 14.1227 14.1227 14.1261 14.1261 14.2885 14.2885 14.3343 14.3343 14.3448 14.3448 k = 0.4932 0.4932 0.4932 ( 1856 PWs) bands (ev): 7.8440 7.8440 7.8441 7.8441 8.2884 8.2884 8.8558 8.8558 10.4106 10.4106 10.4112 10.4112 11.8766 11.8766 11.8778 11.8778 12.0461 12.0461 12.2968 12.2968 12.2976 12.2976 12.3724 12.3724 12.8563 12.8563 13.5862 13.5862 13.7536 13.7536 13.7583 13.7583 14.1112 14.1112 14.1114 14.1114 14.2817 14.2817 14.3268 14.3268 14.3313 14.3313 k = 0.5000 0.5000 0.5000 ( 1856 PWs) bands (ev): 7.8433 7.8433 7.8433 7.8433 8.2875 8.2875 8.8556 8.8556 10.4115 10.4115 10.4115 10.4115 11.8772 11.8772 11.8772 11.8772 12.0461 12.0461 12.2972 12.2972 12.2972 12.2972 12.3726 12.3726 12.8615 12.8615 13.5974 13.5974 13.7706 13.7706 13.7706 13.7706 14.1057 14.1057 14.1057 14.1057 14.2787 14.2787 14.3248 14.3248 14.3248 14.3248 k = 0.5000 0.5000 0.5000 ( 1856 PWs) bands (ev): 7.8433 7.8433 7.8433 7.8433 8.2875 8.2875 8.8556 8.8556 10.4115 10.4115 10.4115 10.4115 11.8772 11.8772 11.8772 11.8772 12.0461 12.0461 12.2972 12.2972 12.2972 12.2972 12.3726 12.3726 12.8615 12.8615 13.5974 13.5974 13.7706 13.7706 13.7706 13.7706 14.1057 14.1057 14.1057 14.1057 14.2787 14.2787 14.3248 14.3248 14.3248 14.3248 k = 0.4917 0.5000 0.4917 ( 1856 PWs) bands (ev): 7.8439 7.8439 7.8442 7.8442 8.2884 8.2884 8.8558 8.8558 10.4103 10.4103 10.4116 10.4116 11.8766 11.8766 11.8777 11.8777 12.0461 12.0461 12.2968 12.2968 12.2976 12.2976 12.3724 12.3724 12.8563 12.8563 13.5863 13.5863 13.7542 13.7542 13.7581 13.7581 14.1110 14.1110 14.1115 14.1115 14.2817 14.2817 14.3265 14.3265 14.3314 14.3314 k = 0.4833 0.5000 0.4833 ( 1856 PWs) bands (ev): 7.8458 7.8458 7.8468 7.8468 8.2910 8.2910 8.8565 8.8565 10.4066 10.4066 10.4117 10.4117 11.8749 11.8749 11.8793 11.8793 12.0463 12.0463 12.2955 12.2955 12.2985 12.2985 12.3718 12.3718 12.8413 12.8413 13.5547 13.5547 13.7111 13.7111 13.7230 13.7230 14.1221 14.1221 14.1270 14.1270 14.2880 14.2880 14.3315 14.3315 14.3473 14.3473 k = 0.4750 0.5000 0.4750 ( 1856 PWs) bands (ev): 7.8490 7.8490 7.8512 7.8512 8.2952 8.2952 8.8577 8.8577 10.4004 10.4004 10.4120 10.4120 11.8720 11.8720 11.8819 11.8819 12.0467 12.0467 12.2933 12.2933 12.2999 12.2999 12.3710 12.3710 12.8171 12.8171 13.5068 13.5068 13.6520 13.6520 13.6708 13.6708 14.1320 14.1320 14.1481 14.1481 14.2934 14.2934 14.3394 14.3394 14.3651 14.3652 k = 0.4667 0.5000 0.4667 ( 1856 PWs) bands (ev): 7.8534 7.8534 7.8572 7.8572 8.3011 8.3011 8.8594 8.8594 10.3918 10.3918 10.4124 10.4124 11.8676 11.8676 11.8853 11.8853 12.0474 12.0474 12.2902 12.2902 12.3014 12.3014 12.3703 12.3703 12.7851 12.7851 13.4469 13.4469 13.5841 13.5841 13.6066 13.6066 14.1384 14.1384 14.1705 14.1705 14.2965 14.2965 14.3489 14.3489 14.3818 14.3827 k = 0.4583 0.5000 0.4583 ( 1856 PWs) bands (ev): 7.8590 7.8590 7.8649 7.8649 8.3087 8.3087 8.8617 8.8617 10.3806 10.3806 10.4129 10.4129 11.8617 11.8617 11.8897 11.8897 12.0486 12.0486 12.2862 12.2862 12.3024 12.3024 12.3702 12.3702 12.7468 12.7468 13.3790 13.3790 13.5109 13.5109 13.5346 13.5346 14.1419 14.1419 14.1909 14.1909 14.2977 14.2977 14.3582 14.3582 14.3863 14.3863 k = 0.4500 0.5000 0.4500 ( 1860 PWs) bands (ev): 7.8657 7.8657 7.8741 7.8741 8.3177 8.3177 8.8646 8.8646 10.3669 10.3669 10.4134 10.4134 11.8539 11.8539 11.8946 11.8946 12.0504 12.0504 12.2813 12.2813 12.3024 12.3024 12.3712 12.3712 12.7037 12.7037 13.3060 13.3060 13.4337 13.4337 13.4581 13.4581 14.1431 14.1431 14.2076 14.2076 14.2977 14.2977 14.3647 14.3647 14.3913 14.3913 k = 0.4417 0.5000 0.4417 ( 1856 PWs) bands (ev): 7.8736 7.8736 7.8848 7.8848 8.3283 8.3283 8.8682 8.8682 10.3507 10.3507 10.4140 10.4140 11.8442 11.8442 11.9001 11.9001 12.0531 12.0531 12.2753 12.2753 12.3006 12.3006 12.3742 12.3742 12.6575 12.6575 13.2297 13.2297 13.3530 13.3530 13.3797 13.3797 14.1430 14.1430 14.2201 14.2201 14.2969 14.2969 14.3670 14.3670 14.4003 14.4003 k = 0.4333 0.5000 0.4333 ( 1860 PWs) bands (ev): 7.8826 7.8826 7.8967 7.8967 8.3401 8.3401 8.8725 8.8725 10.3318 10.3318 10.4146 10.4146 11.8324 11.8324 11.9056 11.9056 12.0567 12.0567 12.2677 12.2677 12.2967 12.2967 12.3793 12.3793 12.6099 12.6099 13.1517 13.1517 13.2692 13.2692 13.3013 13.3013 14.1416 14.1416 14.2285 14.2285 14.2954 14.2954 14.3662 14.3662 14.4111 14.4111 k = 0.4250 0.5000 0.4250 ( 1852 PWs) bands (ev): 7.8926 7.8926 7.9099 7.9099 8.3532 8.3532 8.8778 8.8778 10.3104 10.3104 10.4152 10.4152 11.8183 11.8183 11.9110 11.9110 12.0614 12.0614 12.2577 12.2577 12.2911 12.2911 12.3866 12.3866 12.5630 12.5630 13.0726 13.0726 13.1837 13.1837 13.2237 13.2237 14.1395 14.1395 14.2336 14.2336 14.2935 14.2935 14.3638 14.3638 14.4217 14.4217 k = 0.4167 0.5000 0.4167 ( 1844 PWs) bands (ev): 7.9036 7.9036 7.9240 7.9240 8.3673 8.3673 8.8840 8.8840 10.2865 10.2865 10.4157 10.4157 11.8016 11.8016 11.9154 11.9154 12.0671 12.0671 12.2440 12.2440 12.2846 12.2846 12.3953 12.3953 12.5190 12.5190 12.9931 12.9931 13.0978 13.0978 13.1476 13.1476 14.1367 14.1367 14.2360 14.2360 14.2913 14.2913 14.3606 14.3606 14.4309 14.4309 k = 0.4083 0.5000 0.4083 ( 1844 PWs) bands (ev): 7.9154 7.9154 7.9390 7.9390 8.3821 8.3821 8.8913 8.8913 10.2600 10.2600 10.4160 10.4160 11.7822 11.7822 11.9179 11.9179 12.0736 12.0736 12.2250 12.2250 12.2780 12.2780 12.4038 12.4038 12.4816 12.4816 12.9134 12.9134 13.0126 13.0126 13.0735 13.0735 14.1333 14.1333 14.2363 14.2363 14.2887 14.2887 14.3566 14.3566 14.4377 14.4377 k = 0.4000 0.5000 0.4000 ( 1844 PWs) bands (ev): 7.9280 7.9280 7.9546 7.9546 8.3975 8.3975 8.9000 8.9000 10.2312 10.2312 10.4162 10.4162 11.7600 11.7600 11.9170 11.9170 12.0807 12.0807 12.2008 12.2008 12.2721 12.2721 12.4059 12.4059 12.4583 12.4583 12.8342 12.8342 12.9290 12.9290 13.0021 13.0021 14.1294 14.1294 14.2349 14.2349 14.2858 14.2858 14.3521 14.3521 14.4416 14.4417 k = 0.3917 0.5000 0.3917 ( 1844 PWs) bands (ev): 7.9414 7.9414 7.9707 7.9707 8.4133 8.4133 8.9101 8.9101 10.2001 10.2001 10.4161 10.4161 11.7348 11.7348 11.9109 11.9109 12.0873 12.0873 12.1739 12.1739 12.2670 12.2670 12.3936 12.3936 12.4577 12.4577 12.7562 12.7562 12.8477 12.8477 12.9339 12.9339 14.1250 14.1250 14.2322 14.2322 14.2826 14.2826 14.3472 14.3472 14.4427 14.4427 k = 0.3833 0.5000 0.3833 ( 1836 PWs) bands (ev): 7.9554 7.9554 7.9869 7.9869 8.4291 8.4291 8.9220 8.9220 10.1668 10.1668 10.4157 10.4157 11.7064 11.7064 11.8972 11.8972 12.0904 12.0904 12.1503 12.1503 12.2625 12.2625 12.3760 12.3760 12.4701 12.4701 12.6809 12.6809 12.7693 12.7693 12.8694 12.8694 14.1202 14.1202 14.2283 14.2283 14.2792 14.2792 14.3418 14.3418 14.4408 14.4408 k = 0.3750 0.5000 0.3750 ( 1836 PWs) bands (ev): 7.9700 7.9700 8.0030 8.0030 8.4447 8.4447 8.9357 8.9357 10.1317 10.1317 10.4147 10.4147 11.6747 11.6747 11.8735 11.8735 12.0820 12.0820 12.1402 12.1402 12.2582 12.2582 12.3606 12.3606 12.4868 12.4868 12.6096 12.6096 12.6945 12.6945 12.8088 12.8088 14.1149 14.1149 14.2233 14.2233 14.2755 14.2755 14.3361 14.3361 14.4359 14.4359 k = 0.3667 0.5000 0.3667 ( 1838 PWs) bands (ev): 7.9851 7.9851 8.0186 8.0186 8.4598 8.4598 8.9513 8.9513 10.0948 10.0948 10.4132 10.4132 11.6395 11.6395 11.8396 11.8396 12.0614 12.0614 12.1448 12.1448 12.2540 12.2540 12.3490 12.3490 12.5044 12.5044 12.5438 12.5438 12.6251 12.6251 12.7523 12.7523 14.1092 14.1092 14.2174 14.2174 14.2716 14.2716 14.3300 14.3300 14.4283 14.4283 k = 0.3583 0.5000 0.3583 ( 1838 PWs) bands (ev): 8.0005 8.0005 8.0333 8.0333 8.4743 8.4743 8.9689 8.9689 10.0567 10.0567 10.4110 10.4110 11.6007 11.6007 11.7972 11.7972 12.0343 12.0343 12.1558 12.1558 12.2499 12.2499 12.3416 12.3416 12.4826 12.4826 12.5181 12.5181 12.5682 12.5682 12.7006 12.7006 14.1031 14.1031 14.2106 14.2106 14.2675 14.2675 14.3236 14.3236 14.4182 14.4182 k = 0.3500 0.5000 0.3500 ( 1842 PWs) bands (ev): 8.0162 8.0162 8.0468 8.0468 8.4882 8.4882 8.9884 8.9884 10.0176 10.0176 10.4078 10.4078 11.5585 11.5585 11.7490 11.7490 12.0011 12.0011 12.1697 12.1697 12.2463 12.2463 12.3377 12.3377 12.4266 12.4266 12.4945 12.4945 12.5560 12.5560 12.6556 12.6556 14.0965 14.0965 14.2030 14.2030 14.2632 14.2632 14.3170 14.3170 14.4057 14.4057 k = 0.3417 0.5000 0.3417 ( 1838 PWs) bands (ev): 8.0321 8.0321 8.0586 8.0586 8.5016 8.5016 9.0095 9.0095 9.9780 9.9780 10.4037 10.4037 11.5133 11.5133 11.6971 11.6971 11.9615 11.9615 12.1852 12.1852 12.2435 12.2435 12.3327 12.3327 12.3764 12.3764 12.4575 12.4575 12.5592 12.5592 12.6276 12.6276 14.0897 14.0897 14.1946 14.1946 14.2586 14.2586 14.3101 14.3101 14.3911 14.3911 k = 0.3333 0.5000 0.3333 ( 1848 PWs) bands (ev): 8.0479 8.0479 8.0683 8.0683 8.5144 8.5144 9.0320 9.0320 9.9384 9.9384 10.3983 10.3983 11.4655 11.4655 11.6431 11.6431 11.9163 11.9163 12.2015 12.2015 12.2392 12.2392 12.3016 12.3016 12.3575 12.3575 12.4304 12.4304 12.5378 12.5378 12.6323 12.6323 14.0823 14.0823 14.1852 14.1852 14.2539 14.2539 14.3030 14.3030 14.3746 14.3746 k = 0.3250 0.5000 0.3250 ( 1840 PWs) bands (ev): 8.0628 8.0628 8.0761 8.0761 8.5272 8.5272 9.0553 9.0553 9.8994 9.8994 10.3916 10.3916 11.4159 11.4159 11.5880 11.5880 11.8678 11.8678 12.2159 12.2159 12.2228 12.2228 12.2663 12.2663 12.3615 12.3615 12.4132 12.4132 12.5058 12.5058 12.6545 12.6545 14.0746 14.0746 14.1750 14.1750 14.2491 14.2491 14.2958 14.2958 14.3566 14.3566 k = 0.3167 0.5000 0.3167 ( 1832 PWs) bands (ev): 8.0727 8.0727 8.0854 8.0854 8.5401 8.5401 9.0787 9.0787 9.8617 9.8617 10.3835 10.3835 11.3649 11.3649 11.5328 11.5328 11.8180 11.8180 12.1739 12.1739 12.2332 12.2332 12.2588 12.2588 12.3680 12.3680 12.4042 12.4042 12.4772 12.4772 12.6820 12.6820 14.0666 14.0666 14.1639 14.1639 14.2440 14.2440 14.2886 14.2886 14.3373 14.3373 k = 0.3083 0.5000 0.3083 ( 1832 PWs) bands (ev): 8.0738 8.0738 8.0996 8.0996 8.5534 8.5534 9.1012 9.1012 9.8261 9.8261 10.3739 10.3739 11.3124 11.3124 11.4790 11.4790 11.7685 11.7685 12.1211 12.1211 12.2381 12.2381 12.2666 12.2666 12.3695 12.3695 12.4021 12.4021 12.4598 12.4598 12.7120 12.7120 14.0580 14.0580 14.1518 14.1518 14.2388 14.2388 14.2812 14.2812 14.3168 14.3168 k = 0.3000 0.5000 0.3000 ( 1832 PWs) bands (ev): 8.0691 8.0691 8.1150 8.1150 8.5674 8.5674 9.1220 9.1220 9.7933 9.7933 10.3628 10.3628 11.2583 11.2583 11.4283 11.4283 11.7201 11.7201 12.0688 12.0688 12.2331 12.2331 12.2819 12.2819 12.3609 12.3609 12.4066 12.4066 12.4596 12.4596 12.7436 12.7436 14.0489 14.0489 14.1386 14.1386 14.2334 14.2334 14.2738 14.2738 14.2955 14.2955 k = 0.2917 0.5000 0.2917 ( 1832 PWs) bands (ev): 8.0594 8.0594 8.1306 8.1306 8.5821 8.5821 9.1399 9.1399 9.7643 9.7643 10.3505 10.3505 11.2021 11.2021 11.3827 11.3827 11.6733 11.6733 12.0185 12.0185 12.2220 12.2220 12.2963 12.2963 12.3491 12.3491 12.4161 12.4161 12.4731 12.4731 12.7765 12.7765 14.0393 14.0393 14.1244 14.1244 14.2278 14.2278 14.2657 14.2657 14.2744 14.2744 k = 0.2833 0.5000 0.2833 ( 1832 PWs) bands (ev): 8.0448 8.0448 8.1459 8.1459 8.5977 8.5977 9.1540 9.1540 9.7397 9.7397 10.3370 10.3370 11.1436 11.1436 11.3436 11.3436 11.6280 11.6280 11.9706 11.9706 12.2055 12.2055 12.3014 12.3014 12.3480 12.3480 12.4295 12.4295 12.4942 12.4942 12.8104 12.8104 14.0289 14.0289 14.1090 14.1090 14.2216 14.2216 14.2490 14.2490 14.2618 14.2618 k = 0.2750 0.5000 0.2750 ( 1826 PWs) bands (ev): 8.0255 8.0255 8.1609 8.1609 8.6140 8.6140 9.1633 9.1633 9.7201 9.7201 10.3229 10.3229 11.0835 11.0835 11.3117 11.3117 11.5843 11.5843 11.9253 11.9253 12.1843 12.1843 12.2958 12.2958 12.3615 12.3615 12.4462 12.4462 12.5197 12.5197 12.8450 12.8450 14.0177 14.0177 14.0925 14.0925 14.2138 14.2138 14.2279 14.2279 14.2550 14.2550 k = 0.2667 0.5000 0.2667 ( 1832 PWs) bands (ev): 8.0015 8.0015 8.1754 8.1754 8.6305 8.6305 9.1676 9.1676 9.7056 9.7056 10.3085 10.3085 11.0228 11.0228 11.2866 11.2866 11.5419 11.5419 11.8822 11.8822 12.1594 12.1594 12.2881 12.2881 12.3810 12.3810 12.4651 12.4651 12.5480 12.5480 12.8800 12.8800 14.0053 14.0053 14.0749 14.0749 14.1976 14.1976 14.2137 14.2137 14.2491 14.2491 k = 0.2583 0.5000 0.2583 ( 1832 PWs) bands (ev): 7.9732 7.9732 8.1895 8.1895 8.6470 8.6470 9.1669 9.1669 9.6955 9.6955 10.2942 10.2942 10.9629 10.9629 11.2680 11.2680 11.5009 11.5009 11.8419 11.8419 12.1322 12.1322 12.2816 12.2816 12.4028 12.4028 12.4860 12.4860 12.5786 12.5786 12.9154 12.9154 13.9915 13.9915 14.0565 14.0565 14.1740 14.1740 14.2054 14.2054 14.2440 14.2440 k = 0.2500 0.5000 0.2500 ( 1856 PWs) bands (ev): 7.9408 7.9408 8.2029 8.2029 8.6629 8.6629 9.1620 9.1620 9.6889 9.6889 10.2803 10.2803 10.9053 10.9053 11.2548 11.2548 11.4611 11.4611 11.8041 11.8041 12.1035 12.1035 12.2766 12.2766 12.4255 12.4255 12.5084 12.5084 12.6107 12.6107 12.9504 12.9504 13.9756 13.9756 14.0373 14.0373 14.1487 14.1487 14.1968 14.1968 14.2311 14.2311 k = 0.2417 0.5000 0.2417 ( 1840 PWs) bands (ev): 7.9048 7.9048 8.2157 8.2157 8.6776 8.6776 9.1542 9.1542 9.6845 9.6845 10.2670 10.2670 10.8514 10.8514 11.2464 11.2464 11.4235 11.4235 11.7688 11.7688 12.0749 12.0749 12.2732 12.2732 12.4491 12.4491 12.5324 12.5324 12.6445 12.6445 12.9861 12.9861 13.9577 13.9577 14.0175 14.0175 14.1228 14.1228 14.1859 14.1859 14.2154 14.2154 k = 0.2333 0.5000 0.2333 ( 1840 PWs) bands (ev): 7.8655 7.8655 8.2278 8.2278 8.6903 8.6903 9.1449 9.1449 9.6806 9.6806 10.2538 10.2538 10.8029 10.8029 11.2413 11.2413 11.3880 11.3880 11.7357 11.7357 12.0461 12.0461 12.2711 12.2711 12.4731 12.4731 12.5573 12.5573 12.6791 12.6791 13.0209 13.0209 13.9372 13.9372 13.9965 13.9965 14.0972 14.0972 14.1716 14.1716 14.2048 14.2048 k = 0.2250 0.5000 0.2250 ( 1840 PWs) bands (ev): 7.8235 7.8235 8.2392 8.2392 8.7003 8.7003 9.1357 9.1357 9.6761 9.6761 10.2401 10.2401 10.7613 10.7613 11.2377 11.2377 11.3560 11.3560 11.7049 11.7049 12.0175 12.0175 12.2703 12.2703 12.4974 12.4974 12.5832 12.5832 12.7144 12.7144 13.0551 13.0551 13.9145 13.9145 13.9736 13.9736 14.0728 14.0728 14.1554 14.1554 14.1982 14.1982 k = 0.2167 0.5000 0.2167 ( 1842 PWs) bands (ev): 7.7792 7.7792 8.2497 8.2497 8.7069 8.7069 9.1278 9.1278 9.6702 9.6702 10.2249 10.2249 10.7281 10.7281 11.2323 11.2323 11.3303 11.3303 11.6762 11.6762 11.9894 11.9894 12.2708 12.2708 12.5219 12.5219 12.6099 12.6099 12.7500 12.7500 13.0883 13.0883 13.8898 13.8898 13.9479 13.9479 14.0506 14.0506 14.1388 14.1388 14.1939 14.1939 k = 0.2083 0.5000 0.2083 ( 1842 PWs) bands (ev): 7.7330 7.7330 8.2595 8.2595 8.7095 8.7095 9.1225 9.1225 9.6622 9.6622 10.2072 10.2072 10.7046 10.7046 11.2205 11.2205 11.3152 11.3152 11.6495 11.6495 11.9619 11.9619 12.2726 12.2726 12.5465 12.5465 12.6374 12.6374 12.7855 12.7855 13.1204 13.1204 13.8637 13.8637 13.9186 13.9186 14.0310 14.0310 14.1226 14.1226 14.1915 14.1915 k = 0.2000 0.5000 0.2000 ( 1840 PWs) bands (ev): 7.6854 7.6854 8.2683 8.2683 8.7078 8.7078 9.1202 9.1202 9.6523 9.6523 10.1861 10.1861 10.6913 10.6913 11.2002 11.2002 11.3122 11.3122 11.6247 11.6247 11.9351 11.9351 12.2758 12.2758 12.5711 12.5711 12.6655 12.6655 12.8208 12.8208 13.1510 13.1510 13.8365 13.8365 13.8861 13.8861 14.0139 14.0139 14.1069 14.1069 14.1909 14.1909 k = 0.1917 0.5000 0.1917 ( 1844 PWs) bands (ev): 7.6368 7.6368 8.2764 8.2764 8.7019 8.7019 9.1212 9.1212 9.6403 9.6403 10.1618 10.1618 10.6880 10.6880 11.1743 11.1743 11.3179 11.3179 11.6016 11.6016 11.9090 11.9090 12.2804 12.2804 12.5956 12.5956 12.6941 12.6941 12.8553 12.8553 13.1799 13.1799 13.8084 13.8084 13.8508 13.8508 13.9985 13.9985 14.0916 14.0916 14.1923 14.1923 k = 0.1833 0.5000 0.1833 ( 1848 PWs) bands (ev): 7.5876 7.5876 8.2835 8.2835 8.6921 8.6921 9.1253 9.1253 9.6267 9.6267 10.1348 10.1348 10.6936 10.6936 11.1461 11.1461 11.3288 11.3288 11.5803 11.5803 11.8837 11.8837 12.2863 12.2863 12.6198 12.6198 12.7232 12.7232 12.8887 12.8887 13.2069 13.2069 13.7798 13.7798 13.8134 13.8134 13.9843 13.9843 14.0770 14.0770 14.1959 14.1959 k = 0.1750 0.5000 0.1750 ( 1852 PWs) bands (ev): 7.5382 7.5382 8.2897 8.2897 8.6790 8.6790 9.1319 9.1319 9.6118 9.6118 10.1062 10.1062 10.7067 10.7067 11.1176 11.1176 11.3426 11.3426 11.5605 11.5605 11.8593 11.8593 12.2938 12.2938 12.6437 12.6437 12.7528 12.7528 12.9207 12.9207 13.2319 13.2319 13.7504 13.7504 13.7747 13.7747 13.9708 13.9708 14.0628 14.0628 14.2018 14.2018 k = 0.1667 0.5000 0.1667 ( 1852 PWs) bands (ev): 7.4890 7.4890 8.2951 8.2951 8.6632 8.6632 9.1403 9.1403 9.5958 9.5958 10.0771 10.0771 10.7256 10.7256 11.0894 11.0894 11.3582 11.3582 11.5424 11.5424 11.8359 11.8359 12.3027 12.3027 12.6673 12.6673 12.7826 12.7826 12.9510 12.9510 13.2546 13.2546 13.7198 13.7198 13.7361 13.7361 13.9574 13.9574 14.0492 14.0492 14.2103 14.2103 k = 0.1583 0.5000 0.1583 ( 1852 PWs) bands (ev): 7.4404 7.4404 8.2997 8.2997 8.6456 8.6456 9.1499 9.1499 9.5792 9.5792 10.0486 10.0486 10.7489 10.7489 11.0620 11.0620 11.3749 11.3749 11.5259 11.5259 11.8135 11.8135 12.3133 12.3133 12.6905 12.6905 12.8127 12.8127 12.9794 12.9794 13.2750 13.2750 13.6847 13.6847 13.7009 13.7009 13.9440 13.9440 14.0360 14.0360 14.2214 14.2214 k = 0.1500 0.5000 0.1500 ( 1844 PWs) bands (ev): 7.3926 7.3926 8.3034 8.3034 8.6266 8.6266 9.1599 9.1599 9.5622 9.5622 10.0216 10.0216 10.7755 10.7755 11.0356 11.0356 11.3921 11.3921 11.5108 11.5108 11.7921 11.7921 12.3254 12.3254 12.7132 12.7132 12.8430 12.8430 13.0057 13.0057 13.2933 13.2933 13.6446 13.6446 13.6705 13.6705 13.9303 13.9303 14.0234 14.0234 14.2353 14.2353 k = 0.1417 0.5000 0.1417 ( 1848 PWs) bands (ev): 7.3460 7.3460 8.3064 8.3064 8.6068 8.6068 9.1698 9.1698 9.5451 9.5451 9.9965 9.9965 10.8042 10.8042 11.0102 11.0102 11.4092 11.4092 11.4973 11.4973 11.7717 11.7717 12.3391 12.3391 12.7353 12.7353 12.8731 12.8731 13.0296 13.0296 13.3089 13.3089 13.6022 13.6022 13.6418 13.6418 13.9162 13.9162 14.0113 14.0113 14.2517 14.2517 k = 0.1333 0.5000 0.1333 ( 1852 PWs) bands (ev): 7.3008 7.3008 8.3087 8.3087 8.5865 8.5865 9.1790 9.1790 9.5280 9.5280 9.9740 9.9740 10.8342 10.8342 10.9864 10.9864 11.4255 11.4255 11.4855 11.4855 11.7527 11.7527 12.3544 12.3544 12.7567 12.7567 12.9030 12.9030 13.0513 13.0513 13.3224 13.3224 13.5587 13.5587 13.6138 13.6138 13.9015 13.9015 13.9994 13.9994 14.2705 14.2705 k = 0.1250 0.5000 0.1250 ( 1852 PWs) bands (ev): 7.2572 7.2572 8.3104 8.3104 8.5663 8.5663 9.1874 9.1874 9.5114 9.5114 9.9541 9.9541 10.8648 10.8648 10.9640 10.9640 11.4395 11.4395 11.4767 11.4767 11.7348 11.7348 12.3714 12.3714 12.7774 12.7774 12.9327 12.9327 13.0708 13.0708 13.3336 13.3336 13.5149 13.5149 13.5866 13.5866 13.8866 13.8866 13.9883 13.9883 14.2914 14.2914 k = 0.1167 0.5000 0.1167 ( 1848 PWs) bands (ev): 7.2156 7.2156 8.3116 8.3116 8.5463 8.5463 9.1946 9.1946 9.4953 9.4953 9.9372 9.9372 10.8947 10.8947 10.9437 10.9437 11.4468 11.4468 11.4748 11.4748 11.7182 11.7182 12.3899 12.3899 12.7973 12.7973 12.9620 12.9620 13.0883 13.0883 13.3428 13.3428 13.4708 13.4708 13.5601 13.5601 13.8713 13.8713 13.9777 13.9777 14.3141 14.3141 k = 0.1083 0.5000 0.1083 ( 1848 PWs) bands (ev): 7.1760 7.1760 8.3123 8.3123 8.5267 8.5267 9.2004 9.2004 9.4800 9.4800 9.9231 9.9231 10.9137 10.9137 10.9357 10.9357 11.4441 11.4441 11.4828 11.4828 11.7030 11.7030 12.4101 12.4101 12.8164 12.8164 12.9907 12.9907 13.1041 13.1041 13.3502 13.3502 13.4265 13.4265 13.5342 13.5342 13.8556 13.8556 13.9677 13.9677 14.3379 14.3379 k = 0.1000 0.5000 0.1000 ( 1856 PWs) bands (ev): 7.1387 7.1387 8.3127 8.3127 8.5078 8.5078 9.2048 9.2048 9.4656 9.4656 9.9116 9.9116 10.9006 10.9006 10.9604 10.9604 11.4377 11.4377 11.4939 11.4939 11.6892 11.6892 12.4318 12.4318 12.8343 12.8343 13.0185 13.0185 13.1185 13.1185 13.3559 13.3559 13.3823 13.3823 13.5087 13.5087 13.8397 13.8397 13.9580 13.9580 14.3621 14.3621 k = 0.0917 0.5000 0.0917 ( 1846 PWs) bands (ev): 7.1039 7.1039 8.3129 8.3129 8.4896 8.4896 9.2079 9.2079 9.4523 9.4523 9.9026 9.9026 10.8842 10.8842 10.9892 10.9892 11.4311 11.4311 11.5047 11.5047 11.6772 11.6772 12.4552 12.4552 12.8514 12.8514 13.0455 13.0455 13.1321 13.1321 13.3383 13.3383 13.3601 13.3601 13.4840 13.4840 13.8236 13.8236 13.9491 13.9491 14.3860 14.3860 k = 0.0833 0.5000 0.0833 ( 1846 PWs) bands (ev): 7.0716 7.0716 8.3129 8.3129 8.4724 8.4724 9.2096 9.2096 9.4401 9.4401 9.8958 9.8958 10.8686 10.8686 11.0173 11.0173 11.4247 11.4247 11.5142 11.5142 11.6667 11.6667 12.4799 12.4799 12.8673 12.8673 13.0708 13.0708 13.1450 13.1450 13.2947 13.2947 13.3631 13.3631 13.4598 13.4598 13.8076 13.8076 13.9408 13.9408 14.4083 14.4083 k = 0.0750 0.5000 0.0750 ( 1844 PWs) bands (ev): 7.0420 7.0420 8.3128 8.3128 8.4563 8.4563 9.2103 9.2103 9.4292 9.4292 9.8909 9.8909 10.8545 10.8545 11.0440 11.0440 11.4188 11.4188 11.5218 11.5218 11.6580 11.6580 12.5059 12.5059 12.8818 12.8818 13.0944 13.0944 13.1579 13.1579 13.2518 13.2518 13.3651 13.3651 13.4363 13.4363 13.7917 13.7917 13.9331 13.9331 14.4282 14.4282 k = 0.0667 0.5000 0.0667 ( 1844 PWs) bands (ev): 7.0153 7.0153 8.3128 8.3128 8.4413 8.4413 9.2100 9.2100 9.4196 9.4196 9.8876 9.8876 10.8416 10.8416 11.0691 11.0691 11.4136 11.4136 11.5275 11.5275 11.6510 11.6510 12.5330 12.5330 12.8949 12.8949 13.1156 13.1156 13.1709 13.1709 13.2104 13.2104 13.3663 13.3663 13.4135 13.4135 13.7761 13.7761 13.9260 13.9260 14.4456 14.4456 k = 0.0583 0.5000 0.0583 ( 1848 PWs) bands (ev): 6.9915 6.9915 8.3130 8.3130 8.4274 8.4274 9.2090 9.2090 9.4112 9.4112 9.8855 9.8855 10.8302 10.8302 11.0922 11.0922 11.4091 11.4091 11.5313 11.5313 11.6456 11.6456 12.5611 12.5611 12.9063 12.9063 13.1332 13.1332 13.1677 13.1677 13.1882 13.1882 13.3667 13.3667 13.3915 13.3915 13.7611 13.7611 13.9197 13.9197 14.4609 14.4609 k = 0.0500 0.5000 0.0500 ( 1848 PWs) bands (ev): 6.9707 6.9707 8.3133 8.3133 8.4150 8.4150 9.2076 9.2076 9.4041 9.4041 9.8844 9.8844 10.8203 10.8203 11.1130 11.1130 11.4053 11.4053 11.5335 11.5335 11.6418 11.6418 12.5900 12.5900 12.9157 12.9157 13.1244 13.1244 13.1554 13.1554 13.2016 13.2016 13.3667 13.3667 13.3703 13.3703 13.7469 13.7469 13.9141 13.9141 14.4743 14.4743 k = 0.0417 0.5000 0.0417 ( 1844 PWs) bands (ev): 6.9529 6.9529 8.3138 8.3138 8.4039 8.4039 9.2059 9.2059 9.3981 9.3981 9.8839 9.8839 10.8118 10.8118 11.1312 11.1312 11.4022 11.4022 11.5343 11.5343 11.6391 11.6391 12.6193 12.6193 12.9227 12.9227 13.0893 13.0893 13.1688 13.1688 13.2162 13.2162 13.3499 13.3499 13.3665 13.3665 13.7340 13.7340 13.9094 13.9094 14.4857 14.4857 k = 0.0333 0.5000 0.0333 ( 1848 PWs) bands (ev): 6.9384 6.9384 8.3145 8.3145 8.3944 8.3944 9.2043 9.2043 9.3933 9.3933 9.8839 9.8839 10.8048 10.8048 11.1466 11.1466 11.3995 11.3995 11.5342 11.5342 11.6373 11.6373 12.6480 12.6480 12.9265 12.9265 13.0566 13.0566 13.1823 13.1823 13.2298 13.2298 13.3307 13.3307 13.3661 13.3661 13.7225 13.7225 13.9054 13.9054 14.4952 14.4952 k = 0.0250 0.5000 0.0250 ( 1848 PWs) bands (ev): 6.9270 6.9270 8.3153 8.3153 8.3867 8.3867 9.2028 9.2028 9.3897 9.3897 9.8841 9.8841 10.7995 10.7995 11.1589 11.1589 11.3975 11.3975 11.5338 11.5338 11.6363 11.6363 12.6753 12.6753 12.9260 12.9260 13.0296 13.0296 13.1952 13.1952 13.2415 13.2415 13.3128 13.3128 13.3656 13.3656 13.7130 13.7130 13.9022 13.9022 14.5027 14.5027 k = 0.0167 0.5000 0.0167 ( 1840 PWs) bands (ev): 6.9188 6.9188 8.3161 8.3161 8.3809 8.3809 9.2017 9.2017 9.3871 9.3871 9.8843 9.8843 10.7956 10.7956 11.1679 11.1679 11.3963 11.3963 11.5332 11.5332 11.6357 11.6357 12.6992 12.6992 12.9206 12.9206 13.0110 13.0110 13.2070 13.2070 13.2508 13.2508 13.2970 13.2970 13.3652 13.3652 13.7060 13.7060 13.9001 13.9001 14.5081 14.5082 k = 0.0083 0.5000 0.0083 ( 1840 PWs) bands (ev): 6.9139 6.9139 8.3167 8.3167 8.3773 8.3773 9.2010 9.2010 9.3856 9.3856 9.8845 9.8845 10.7933 10.7933 11.1733 11.1733 11.3955 11.3955 11.5328 11.5328 11.6353 11.6353 12.7165 12.7165 12.9131 12.9131 13.0012 13.0012 13.2162 13.2162 13.2574 13.2574 13.2844 13.2844 13.3649 13.3649 13.7015 13.7015 13.8987 13.8987 14.5114 14.5114 k = 0.0000 0.5000-0.0000 ( 1840 PWs) bands (ev): 6.9123 6.9123 8.3169 8.3169 8.3760 8.3760 9.2007 9.2007 9.3851 9.3851 9.8846 9.8846 10.7925 10.7925 11.1752 11.1752 11.3952 11.3952 11.5326 11.5326 11.6353 11.6353 12.7229 12.7229 12.9095 12.9095 12.9983 12.9983 13.2200 13.2200 13.2602 13.2602 13.2789 13.2789 13.3648 13.3648 13.7000 13.7000 13.8983 13.8983 14.5125 14.5125 k = 0.5000 0.5000-0.0000 ( 1852 PWs) bands (ev): 8.1753 8.1753 8.4749 8.4749 9.2676 9.2676 9.7493 9.7493 9.9396 9.9396 10.1743 10.1743 10.2738 10.2738 11.0256 11.0256 11.6002 11.6002 11.6161 11.6161 11.6264 11.6264 11.8589 11.8589 11.8847 11.8847 13.0110 13.0110 13.0304 13.0304 13.0439 13.0439 13.2090 13.2090 13.2689 13.2689 13.4162 13.4162 13.5297 13.5298 15.5317 15.5317 k = 0.5000 0.5000 0.0116 ( 1852 PWs) bands (ev): 8.1749 8.1749 8.4755 8.4755 9.2626 9.2626 9.7395 9.7395 9.9401 9.9401 10.1795 10.1795 10.2842 10.2842 11.0253 11.0253 11.6020 11.6020 11.6154 11.6154 11.6289 11.6289 11.8593 11.8593 11.8852 11.8852 13.0074 13.0074 13.0246 13.0246 13.0374 13.0374 13.2165 13.2165 13.2757 13.2757 13.4175 13.4175 13.5322 13.5322 15.5276 15.5279 k = 0.5000 0.5000 0.0233 ( 1852 PWs) bands (ev): 8.1737 8.1737 8.4773 8.4773 9.2480 9.2480 9.7123 9.7123 9.9414 9.9414 10.1952 10.1952 10.3130 10.3130 11.0241 11.0241 11.6071 11.6071 11.6147 11.6147 11.6353 11.6353 11.8607 11.8607 11.8867 11.8867 12.9945 12.9945 13.0120 13.0120 13.0199 13.0199 13.2363 13.2363 13.2941 13.2941 13.4214 13.4214 13.5392 13.5392 15.5222 15.5223 k = 0.5000 0.5000 0.0349 ( 1844 PWs) bands (ev): 8.1717 8.1717 8.4801 8.4801 9.2251 9.2251 9.6723 9.6723 9.9425 9.9425 10.2209 10.2209 10.3556 10.3556 11.0225 11.0225 11.6150 11.6150 11.6156 11.6156 11.6445 11.6445 11.8630 11.8630 11.8892 11.8892 12.9717 12.9717 12.9951 12.9951 12.9985 12.9985 13.2636 13.2636 13.3203 13.3203 13.4281 13.4281 13.5507 13.5507 15.5159 15.5159 k = 0.5000 0.5000 0.0465 ( 1828 PWs) bands (ev): 8.1689 8.1689 8.4838 8.4838 9.1957 9.1957 9.6239 9.6239 9.9426 9.9426 10.2562 10.2562 10.4071 10.4071 11.0208 11.0208 11.6163 11.6163 11.6275 11.6275 11.6564 11.6564 11.8662 11.8662 11.8926 11.8926 12.9439 12.9439 12.9663 12.9663 12.9833 12.9833 13.2952 13.2952 13.3513 13.3513 13.4375 13.4375 13.5661 13.5661 15.5084 15.5084 k = 0.5000 0.5000 0.0581 ( 1836 PWs) bands (ev): 8.1653 8.1653 8.4882 8.4882 9.1615 9.1615 9.5704 9.5704 9.9411 9.9411 10.2997 10.2997 10.4636 10.4636 11.0195 11.0195 11.6186 11.6186 11.6423 11.6423 11.6708 11.6708 11.8703 11.8703 11.8969 11.8969 12.9136 12.9136 12.9352 12.9352 12.9655 12.9655 13.3289 13.3289 13.3847 13.3847 13.4490 13.4490 13.5843 13.5843 15.4998 15.4998 k = 0.5000 0.5000 0.0698 ( 1828 PWs) bands (ev): 8.1610 8.1610 8.4931 8.4931 9.1243 9.1243 9.5140 9.5140 9.9383 9.9383 10.3502 10.3502 10.5221 10.5221 11.0198 11.0198 11.6219 11.6219 11.6603 11.6603 11.6879 11.6879 11.8752 11.8752 11.9022 11.9022 12.8828 12.8828 12.9031 12.9031 12.9457 12.9457 13.3641 13.3641 13.4193 13.4193 13.4637 13.4637 13.6052 13.6052 15.4902 15.4902 k = 0.5000 0.5000 0.0814 ( 1844 PWs) bands (ev): 8.1559 8.1559 8.4979 8.4979 9.0855 9.0855 9.4560 9.4560 9.9341 9.9341 10.4065 10.4065 10.5798 10.5798 11.0230 11.0230 11.6262 11.6262 11.6808 11.6808 11.7073 11.7073 11.8810 11.8810 11.9083 11.9083 12.8514 12.8514 12.8703 12.8703 12.9239 12.9239 13.4000 13.4000 13.4530 13.4530 13.4822 13.4822 13.6281 13.6281 15.4792 15.4792 k = 0.5000 0.5000 0.0930 ( 1844 PWs) bands (ev): 8.1501 8.1501 8.5023 8.5023 9.0465 9.0465 9.3975 9.3975 9.9292 9.9292 10.4674 10.4674 10.6335 10.6335 11.0317 11.0317 11.6314 11.6314 11.7040 11.7040 11.7294 11.7294 11.8878 11.8878 11.9152 11.9152 12.8205 12.8205 12.8377 12.8377 12.9009 12.9009 13.4364 13.4364 13.4824 13.4824 13.5078 13.5078 13.6527 13.6527 15.4669 15.4669 k = 0.5000 0.5000 0.1047 ( 1844 PWs) bands (ev): 8.1437 8.1437 8.5055 8.5055 9.0087 9.0087 9.3389 9.3389 9.9238 9.9238 10.5321 10.5321 10.6797 10.6797 11.0486 11.0486 11.6374 11.6374 11.7295 11.7295 11.7542 11.7542 11.8957 11.8957 11.9230 11.9230 12.7901 12.7901 12.8055 12.8055 12.8770 12.8770 13.4731 13.4731 13.5066 13.5066 13.5408 13.5408 13.6785 13.6785 15.4533 15.4533 k = 0.5000 0.5000 0.1163 ( 1836 PWs) bands (ev): 8.1366 8.1366 8.5068 8.5068 8.9731 8.9731 9.2808 9.2808 9.9183 9.9183 10.5997 10.5997 10.7151 10.7151 11.0770 11.0770 11.6443 11.6443 11.7571 11.7571 11.7817 11.7817 11.9048 11.9048 11.9317 11.9317 12.7605 12.7605 12.7738 12.7738 12.8523 12.8523 13.5099 13.5099 13.5296 13.5296 13.5772 13.5772 13.7053 13.7053 15.4383 15.4383 k = 0.5000 0.5000 0.1279 ( 1836 PWs) bands (ev): 8.1289 8.1289 8.5051 8.5051 8.9411 8.9411 9.2235 9.2235 9.9131 9.9131 10.6698 10.6698 10.7378 10.7378 11.1182 11.1182 11.6520 11.6520 11.7859 11.7859 11.8115 11.8115 11.9153 11.9153 11.9411 11.9411 12.7317 12.7317 12.7428 12.7428 12.8272 12.8272 13.5466 13.5466 13.5530 13.5530 13.6145 13.6145 13.7326 13.7326 15.4219 15.4219 k = 0.5000 0.5000 0.1395 ( 1836 PWs) bands (ev): 8.1206 8.1206 8.4994 8.4994 8.9137 8.9137 9.1671 9.1671 9.9086 9.9086 10.7418 10.7418 10.7490 10.7490 11.1711 11.1711 11.6603 11.6603 11.8153 11.8153 11.8438 11.8438 11.9278 11.9278 11.9512 11.9512 12.7040 12.7040 12.7128 12.7128 12.8019 12.8019 13.5774 13.5774 13.5831 13.5831 13.6521 13.6521 13.7603 13.7603 15.4038 15.4038 k = 0.5000 0.5000 0.1512 ( 1836 PWs) bands (ev): 8.1117 8.1117 8.4891 8.4891 8.8918 8.8918 9.1119 9.1119 9.9051 9.9051 10.7510 10.7510 10.8153 10.8153 11.2330 11.2330 11.6694 11.6694 11.8441 11.8441 11.8782 11.8782 11.9435 11.9435 11.9623 11.9623 12.6775 12.6775 12.6838 12.6838 12.7765 12.7765 13.6028 13.6028 13.6193 13.6193 13.6896 13.6896 13.7882 13.7882 15.3841 15.3841 k = 0.5000 0.5000 0.1628 ( 1844 PWs) bands (ev): 8.1024 8.1024 8.4736 8.4736 8.8757 8.8757 9.0580 9.0580 9.9029 9.9029 10.7466 10.7466 10.8900 10.8900 11.3010 11.3010 11.6792 11.6792 11.8704 11.8704 11.9145 11.9145 11.9636 11.9636 11.9745 11.9745 12.6524 12.6524 12.6560 12.6560 12.7512 12.7512 13.6290 13.6290 13.6551 13.6551 13.7269 13.7269 13.8162 13.8162 15.3627 15.3627 k = 0.5000 0.5000 0.1744 ( 1832 PWs) bands (ev): 8.0926 8.0926 8.4531 8.4531 8.8655 8.8655 9.0055 9.0055 9.9025 9.9025 10.7378 10.7378 10.9656 10.9656 11.3730 11.3730 11.6899 11.6899 11.8931 11.8931 11.9514 11.9514 11.9896 11.9896 11.9900 11.9900 12.6290 12.6290 12.6298 12.6298 12.7261 12.7261 13.6561 13.6561 13.6905 13.6905 13.7639 13.7639 13.8441 13.8441 15.3396 15.3396 k = 0.5000 0.5000 0.1860 ( 1824 PWs) bands (ev): 8.0824 8.0824 8.4281 8.4281 8.8601 8.8601 8.9546 8.9546 9.9040 9.9040 10.7260 10.7260 11.0417 11.0417 11.4471 11.4471 11.7013 11.7013 11.9115 11.9115 11.9824 11.9824 12.0133 12.0133 12.0222 12.0222 12.6053 12.6053 12.6074 12.6074 12.7015 12.7015 13.6839 13.6839 13.7255 13.7255 13.8006 13.8006 13.8720 13.8720 15.3146 15.3146 k = 0.5000 0.5000 0.1977 ( 1824 PWs) bands (ev): 8.0718 8.0718 8.3997 8.3997 8.8587 8.8587 8.9052 8.9052 9.9078 9.9078 10.7121 10.7121 11.1180 11.1180 11.5217 11.5217 11.7136 11.7136 11.9266 11.9266 12.0021 12.0021 12.0513 12.0513 12.0592 12.0592 12.5828 12.5828 12.5878 12.5878 12.6773 12.6773 13.7121 13.7121 13.7598 13.7598 13.8365 13.8365 13.8994 13.8994 15.2877 15.2877 k = 0.5000 0.5000 0.2093 ( 1824 PWs) bands (ev): 8.0608 8.0608 8.3687 8.3687 8.8576 8.8576 8.8600 8.8600 9.9140 9.9140 10.6967 10.6967 11.1943 11.1943 11.5945 11.5945 11.7280 11.7280 11.9397 11.9397 12.0179 12.0179 12.0963 12.0963 12.0995 12.0995 12.5626 12.5626 12.5706 12.5706 12.6535 12.6535 13.7406 13.7406 13.7934 13.7934 13.8719 13.8719 13.9264 13.9264 15.2588 15.2588 k = 0.5000 0.5000 0.2209 ( 1824 PWs) bands (ev): 8.0496 8.0496 8.3361 8.3361 8.8118 8.8118 8.8631 8.8631 9.9228 9.9228 10.6805 10.6805 11.2701 11.2701 11.6611 11.6611 11.7477 11.7477 11.9515 11.9515 12.0334 12.0334 12.1420 12.1420 12.1448 12.1448 12.5454 12.5454 12.5563 12.5563 12.6304 12.6304 13.7692 13.7692 13.8262 13.8262 13.9065 13.9065 13.9530 13.9530 15.2279 15.2279 k = 0.5000 0.5000 0.2326 ( 1828 PWs) bands (ev): 8.0381 8.0381 8.3026 8.3026 8.7677 8.7677 8.8671 8.8671 9.9343 9.9343 10.6636 10.6636 11.3450 11.3450 11.7097 11.7097 11.7827 11.7827 11.9627 11.9627 12.0500 12.0500 12.1855 12.1855 12.1959 12.1959 12.5317 12.5317 12.5457 12.5457 12.6079 12.6079 13.7979 13.7979 13.8582 13.8582 13.9404 13.9404 13.9790 13.9790 15.1949 15.1949 k = 0.5000 0.5000 0.2442 ( 1820 PWs) bands (ev): 8.0265 8.0265 8.2689 8.2689 8.7256 8.7256 8.8714 8.8714 9.9486 9.9486 10.6465 10.6465 11.4187 11.4187 11.7358 11.7358 11.8355 11.8355 11.9736 11.9736 12.0686 12.0686 12.2289 12.2289 12.2496 12.2496 12.5228 12.5228 12.5399 12.5399 12.5862 12.5862 13.8265 13.8265 13.8894 13.8894 13.9735 13.9735 14.0045 14.0045 15.1598 15.1598 k = 0.5000 0.5000 0.2558 ( 1820 PWs) bands (ev): 8.0147 8.0147 8.2353 8.2353 8.6853 8.6853 8.8755 8.8755 9.9656 9.9656 10.6292 10.6292 11.4903 11.4903 11.7524 11.7524 11.8903 11.8903 11.9848 11.9848 12.0904 12.0904 12.2703 12.2703 12.3055 12.3055 12.5200 12.5200 12.5404 12.5404 12.5655 12.5655 13.8547 13.8547 13.9195 13.9195 14.0056 14.0056 14.0291 14.0291 15.1226 15.1226 k = 0.5000 0.5000 0.2674 ( 1832 PWs) bands (ev): 8.0028 8.0028 8.2021 8.2021 8.6469 8.6469 8.8790 8.8790 9.9852 9.9852 10.6119 10.6119 11.5591 11.5591 11.7657 11.7657 11.9375 11.9375 11.9967 11.9967 12.1161 12.1161 12.3072 12.3072 12.3634 12.3634 12.5253 12.5253 12.5442 12.5442 12.5512 12.5512 13.8824 13.8824 13.9486 13.9486 14.0367 14.0367 14.0530 14.0530 15.0831 15.0831 k = 0.5000 0.5000 0.2791 ( 1824 PWs) bands (ev): 7.9909 7.9909 8.1698 8.1698 8.6106 8.6106 8.8819 8.8819 10.0073 10.0073 10.5949 10.5949 11.6240 11.6240 11.7779 11.7779 11.9738 11.9738 12.0103 12.0103 12.1450 12.1450 12.3374 12.3374 12.4234 12.4234 12.5263 12.5263 12.5412 12.5412 12.5714 12.5714 13.9097 13.9097 13.9767 13.9767 14.0669 14.0669 14.0762 14.0762 15.0417 15.0417 k = 0.5000 0.5000 0.2907 ( 1832 PWs) bands (ev): 7.9790 7.9790 8.1384 8.1384 8.5762 8.5762 8.8838 8.8838 10.0314 10.0314 10.5781 10.5781 11.6835 11.6835 11.7893 11.7893 11.9995 11.9995 12.0265 12.0265 12.1734 12.1734 12.3594 12.3594 12.4853 12.4853 12.5087 12.5087 12.5697 12.5697 12.6050 12.6050 13.9361 13.9361 14.0035 14.0035 14.0958 14.0958 14.0983 14.0983 14.9980 14.9980 k = 0.5000 0.5000 0.3023 ( 1832 PWs) bands (ev): 7.9671 7.9671 8.1082 8.1082 8.5439 8.5439 8.8849 8.8849 10.0575 10.0575 10.5618 10.5618 11.7359 11.7359 11.8000 11.8000 12.0174 12.0174 12.0470 12.0470 12.1979 12.1979 12.3745 12.3745 12.4927 12.4927 12.5491 12.5491 12.6117 12.6117 12.6501 12.6501 13.9618 13.9618 14.0291 14.0291 14.1196 14.1196 14.1236 14.1236 14.9525 14.9525 k = 0.5000 0.5000 0.3140 ( 1828 PWs) bands (ev): 7.9555 7.9555 8.0793 8.0793 8.5135 8.5135 8.8851 8.8851 10.0850 10.0850 10.5461 10.5461 11.7794 11.7794 11.8101 11.8101 12.0299 12.0299 12.0728 12.0728 12.2169 12.2169 12.3851 12.3851 12.4787 12.4787 12.6145 12.6145 12.6662 12.6662 12.7043 12.7043 13.9864 13.9864 14.0533 14.0533 14.1398 14.1398 14.1502 14.1502 14.9051 14.9051 k = 0.5000 0.5000 0.3256 ( 1828 PWs) bands (ev): 7.9440 7.9440 8.0518 8.0518 8.4852 8.4852 8.8846 8.8846 10.1137 10.1137 10.5309 10.5309 11.8133 11.8133 11.8195 11.8195 12.0384 12.0384 12.1041 12.1041 12.2308 12.2308 12.3927 12.3927 12.4679 12.4679 12.6814 12.6814 12.7306 12.7306 12.7652 12.7652 14.0100 14.0100 14.0762 14.0762 14.1591 14.1591 14.1755 14.1755 14.8559 14.8559 k = 0.5000 0.5000 0.3372 ( 1828 PWs) bands (ev): 7.9328 7.9328 8.0257 8.0257 8.4589 8.4589 8.8834 8.8834 10.1430 10.1430 10.5164 10.5164 11.8283 11.8283 11.8378 11.8378 12.0441 12.0441 12.1395 12.1395 12.2412 12.2412 12.3973 12.3973 12.4627 12.4627 12.7498 12.7498 12.8023 12.8023 12.8310 12.8310 14.0323 14.0323 14.0974 14.0974 14.1773 14.1773 14.1994 14.1994 14.8053 14.8053 k = 0.5000 0.5000 0.3488 ( 1836 PWs) bands (ev): 7.9219 7.9219 8.0012 8.0012 8.4346 8.4346 8.8816 8.8816 10.1726 10.1726 10.5027 10.5027 11.8363 11.8363 11.8546 11.8546 12.0475 12.0475 12.1762 12.1762 12.2492 12.2492 12.3975 12.3975 12.4662 12.4662 12.8196 12.8196 12.8789 12.8789 12.9008 12.9008 14.0531 14.0531 14.1171 14.1171 14.1943 14.1943 14.2219 14.2219 14.7535 14.7535 k = 0.5000 0.5000 0.3605 ( 1836 PWs) bands (ev): 7.9115 7.9115 7.9783 7.9783 8.4122 8.4122 8.8794 8.8794 10.2020 10.2020 10.4898 10.4898 11.8436 11.8436 11.8657 11.8657 12.0495 12.0495 12.2109 12.2109 12.2560 12.2560 12.3937 12.3937 12.4807 12.4807 12.8905 12.8905 12.9587 12.9587 12.9736 12.9736 14.0726 14.0726 14.1349 14.1349 14.2103 14.2103 14.2429 14.2429 14.7009 14.7009 k = 0.5000 0.5000 0.3721 ( 1836 PWs) bands (ev): 7.9016 7.9016 7.9571 7.9571 8.3918 8.3918 8.8768 8.8768 10.2308 10.2308 10.4777 10.4777 11.8501 11.8501 11.8727 11.8727 12.0504 12.0504 12.2405 12.2405 12.2620 12.2620 12.3876 12.3876 12.5053 12.5053 12.9624 12.9624 13.0406 13.0406 13.0489 13.0489 14.0904 14.0904 14.1507 14.1507 14.2250 14.2250 14.2624 14.2624 14.6480 14.6480 k = 0.5000 0.5000 0.3837 ( 1844 PWs) bands (ev): 7.8922 7.8922 7.9376 7.9376 8.3733 8.3733 8.8741 8.8741 10.2586 10.2586 10.4665 10.4665 11.8558 11.8558 11.8768 11.8768 12.0504 12.0504 12.2636 12.2636 12.2675 12.2675 12.3812 12.3812 12.5383 12.5383 13.0350 13.0350 13.1235 13.1235 13.1262 13.1262 14.1063 14.1063 14.1642 14.1642 14.2384 14.2384 14.2802 14.2802 14.5955 14.5955 k = 0.5000 0.5000 0.3953 ( 1844 PWs) bands (ev): 7.8835 7.8835 7.9198 7.9198 8.3567 8.3567 8.8713 8.8713 10.2851 10.2851 10.4563 10.4563 11.8607 11.8607 11.8791 11.8791 12.0500 12.0500 12.2726 12.2726 12.2802 12.2802 12.3757 12.3757 12.5776 12.5776 13.1078 13.1078 13.2048 13.2048 13.2067 13.2067 14.1202 14.1202 14.1750 14.1750 14.2507 14.2507 14.2964 14.2964 14.5443 14.5443 k = 0.5000 0.5000 0.4070 ( 1852 PWs) bands (ev): 7.8754 7.8754 7.9039 7.9039 8.3420 8.3420 8.8684 8.8684 10.3097 10.3097 10.4470 10.4470 11.8648 11.8648 11.8801 11.8801 12.0493 12.0493 12.2773 12.2773 12.2908 12.2908 12.3718 12.3718 12.6207 12.6207 13.1806 13.1806 13.2842 13.2842 13.2895 13.2895 14.1318 14.1318 14.1825 14.1825 14.2615 14.2615 14.3108 14.3108 14.4955 14.4955 k = 0.5000 0.5000 0.4186 ( 1860 PWs) bands (ev): 7.8681 7.8681 7.8898 7.8898 8.3290 8.3290 8.8657 8.8657 10.3323 10.3323 10.4388 10.4388 11.8680 11.8680 11.8803 11.8803 12.0485 12.0485 12.2815 12.2815 12.2969 12.2969 12.3694 12.3694 12.6652 12.6652 13.2526 13.2526 13.3637 13.3637 13.3713 13.3713 14.1406 14.1406 14.1858 14.1858 14.2709 14.2709 14.3234 14.3234 14.4507 14.4507 k = 0.5000 0.5000 0.4302 ( 1864 PWs) bands (ev): 7.8617 7.8617 7.8775 7.8775 8.3179 8.3179 8.8632 8.8632 10.3525 10.3525 10.4316 10.4316 11.8707 11.8707 11.8800 11.8800 12.0478 12.0478 12.2854 12.2854 12.2997 12.2997 12.3687 12.3687 12.7091 12.7091 13.3231 13.3231 13.4425 13.4425 13.4511 13.4511 14.1461 14.1461 14.1840 14.1840 14.2788 14.2788 14.3338 14.3338 14.4117 14.4117 k = 0.5000 0.5000 0.4419 ( 1864 PWs) bands (ev): 7.8562 7.8562 7.8671 7.8671 8.3086 8.3086 8.8610 8.8610 10.3701 10.3701 10.4255 10.4255 11.8729 11.8729 11.8794 11.8794 12.0472 12.0472 12.2888 12.2888 12.3004 12.3004 12.3690 12.3690 12.7504 12.7504 13.3909 13.3909 13.5194 13.5194 13.5279 13.5279 14.1476 14.1476 14.1761 14.1761 14.2850 14.2850 14.3420 14.3420 14.3801 14.3801 k = 0.5000 0.5000 0.4535 ( 1856 PWs) bands (ev): 7.8516 7.8516 7.8585 7.8585 8.3010 8.3010 8.8591 8.8591 10.3847 10.3847 10.4205 10.4205 11.8746 11.8746 11.8788 11.8788 12.0468 12.0468 12.2919 12.2919 12.3000 12.3000 12.3699 12.3699 12.7874 12.7874 13.4542 13.4542 13.5927 13.5927 13.6001 13.6001 14.1442 14.1442 14.1623 14.1623 14.2889 14.2889 14.3471 14.3471 14.3568 14.3568 k = 0.5000 0.5000 0.4651 ( 1856 PWs) bands (ev): 7.8480 7.8480 7.8519 7.8519 8.2951 8.2951 8.8576 8.8576 10.3963 10.3963 10.4166 10.4166 11.8758 11.8758 11.8782 11.8782 12.0465 12.0465 12.2942 12.2942 12.2991 12.2991 12.3709 12.3709 12.8184 12.8184 13.5105 13.5105 13.6598 13.6598 13.6653 13.6653 14.1356 14.1356 14.1445 14.1445 14.2899 14.2899 14.3408 14.3408 14.3482 14.3482 k = 0.5000 0.5000 0.4767 ( 1856 PWs) bands (ev): 7.8454 7.8454 7.8471 7.8471 8.2909 8.2909 8.8565 8.8565 10.4047 10.4047 10.4138 10.4138 11.8766 11.8766 11.8777 11.8777 12.0462 12.0462 12.2959 12.2959 12.2981 12.2981 12.3718 12.3718 12.8418 12.8418 13.5562 13.5562 13.7164 13.7164 13.7195 13.7195 14.1230 14.1230 14.1261 14.1261 14.2870 14.2870 14.3309 14.3309 14.3429 14.3429 k = 0.5000 0.5000 0.4884 ( 1856 PWs) bands (ev): 7.8438 7.8438 7.8442 7.8442 8.2884 8.2884 8.8558 8.8558 10.4098 10.4098 10.4121 10.4121 11.8771 11.8771 11.8773 11.8773 12.0461 12.0461 12.2969 12.2969 12.2975 12.2975 12.3724 12.3724 12.8565 12.8565 13.5866 13.5866 13.7560 13.7560 13.7569 13.7569 14.1109 14.1109 14.1114 14.1114 14.2815 14.2815 14.3261 14.3261 14.3314 14.3314 k = 0.5000 0.5000 0.5000 ( 1856 PWs) bands (ev): 7.8433 7.8433 7.8433 7.8433 8.2875 8.2875 8.8556 8.8556 10.4115 10.4115 10.4115 10.4115 11.8772 11.8772 11.8772 11.8772 12.0461 12.0461 12.2972 12.2972 12.2972 12.2972 12.3726 12.3726 12.8615 12.8615 13.5974 13.5974 13.7706 13.7706 13.7706 13.7706 14.1057 14.1057 14.1057 14.1057 14.2787 14.2787 14.3248 14.3248 14.3248 14.3248 Writing output data file Fe3Pt.save init_run : 0.26s CPU 0.40s WALL ( 1 calls) electrons : 91.65s CPU 93.71s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 91.64s CPU 93.70s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 328 calls) cegterg : 84.08s CPU 85.68s WALL ( 492 calls) Called by sum_band: Called by *egterg: h_psi : 38.12s CPU 39.17s WALL ( 8044 calls) s_psi : 4.24s CPU 4.53s WALL ( 8044 calls) g_psi : 0.07s CPU 0.11s WALL ( 7224 calls) cdiaghg : 38.96s CPU 39.37s WALL ( 7552 calls) cegterg:over : 3.24s CPU 3.19s WALL ( 7224 calls) cegterg:upda : 2.01s CPU 2.05s WALL ( 7224 calls) cegterg:last : 1.36s CPU 1.41s WALL ( 1560 calls) cdiaghg:chol : 2.20s CPU 2.09s WALL ( 7552 calls) cdiaghg:inve : 1.11s CPU 1.16s WALL ( 7552 calls) cdiaghg:para : 2.26s CPU 2.31s WALL ( 15104 calls) Called by h_psi: h_psi:vloc : 29.11s CPU 30.03s WALL ( 8044 calls) h_psi:vnl : 8.95s CPU 9.05s WALL ( 8044 calls) add_vuspsi : 5.06s CPU 5.16s WALL ( 8044 calls) General routines calbec : 3.88s CPU 3.87s WALL ( 8044 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 26.40s CPU 27.16s WALL ( 828708 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.13s WALL ( 656 calls) Parallel routines fft_scatter : 16.72s CPU 17.03s WALL ( 828731 calls) PWSCF : 1m41.36s CPU 1m52.32s WALL This run was terminated on: 18:15:33 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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