Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:10:43 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: ./FeNi3.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 23 18 5 519 344 59 Max 24 19 6 526 365 64 Sum 853 665 213 18805 12797 2205 bravais-lattice index = 14 lattice parameter (alat) = 6.6991 a.u. unit-cell volume = 300.6389 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.699079 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 Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 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 1195 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) Ni 10.00 58.69340 Ni( 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= 344 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 2) = ( 0.0000000 0.0111111 -0.0000000), wk = 0.0029070 k( 3) = ( 0.0000000 0.0222222 -0.0000000), wk = 0.0029070 k( 4) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0029070 k( 5) = ( 0.0000000 0.0444444 -0.0000000), wk = 0.0029070 k( 6) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0029070 k( 7) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0029070 k( 8) = ( 0.0000000 0.0777778 -0.0000000), wk = 0.0029070 k( 9) = ( 0.0000000 0.0888889 -0.0000000), wk = 0.0029070 k( 10) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0029070 k( 11) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0029070 k( 12) = ( 0.0000000 0.1222222 -0.0000000), wk = 0.0029070 k( 13) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0029070 k( 14) = ( 0.0000000 0.1444444 -0.0000000), wk = 0.0029070 k( 15) = ( 0.0000000 0.1555556 -0.0000000), wk = 0.0029070 k( 16) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0029070 k( 17) = ( 0.0000000 0.1777778 -0.0000000), wk = 0.0029070 k( 18) = ( 0.0000000 0.1888889 -0.0000000), wk = 0.0029070 k( 19) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0029070 k( 20) = ( 0.0000000 0.2111111 -0.0000000), wk = 0.0029070 k( 21) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0029070 k( 22) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0029070 k( 23) = ( 0.0000000 0.2444444 -0.0000000), wk = 0.0029070 k( 24) = ( 0.0000000 0.2555556 -0.0000000), wk = 0.0029070 k( 25) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0029070 k( 26) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0029070 k( 27) = ( 0.0000000 0.2888889 -0.0000000), wk = 0.0029070 k( 28) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0029070 k( 29) = ( 0.0000000 0.3111111 -0.0000000), wk = 0.0029070 k( 30) = ( 0.0000000 0.3222222 -0.0000000), wk = 0.0029070 k( 31) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0029070 k( 32) = ( 0.0000000 0.3444444 -0.0000000), wk = 0.0029070 k( 33) = ( 0.0000000 0.3555556 -0.0000000), wk = 0.0029070 k( 34) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0029070 k( 35) = ( 0.0000000 0.3777778 -0.0000000), wk = 0.0029070 k( 36) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0029070 k( 37) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0029070 k( 38) = ( 0.0000000 0.4111111 -0.0000000), wk = 0.0029070 k( 39) = ( 0.0000000 0.4222222 -0.0000000), wk = 0.0029070 k( 40) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0029070 k( 41) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0029070 k( 42) = ( 0.0000000 0.4555556 -0.0000000), wk = 0.0029070 k( 43) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0029070 k( 44) = ( 0.0000000 0.4777778 -0.0000000), wk = 0.0029070 k( 45) = ( 0.0000000 0.4888889 -0.0000000), wk = 0.0029070 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029070 k( 47) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029070 k( 48) = ( 0.0111111 0.5000000 -0.0000000), wk = 0.0029070 k( 49) = ( 0.0222222 0.5000000 -0.0000000), wk = 0.0029070 k( 50) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0029070 k( 51) = ( 0.0444444 0.5000000 -0.0000000), wk = 0.0029070 k( 52) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0029070 k( 53) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0029070 k( 54) = ( 0.0777778 0.5000000 -0.0000000), wk = 0.0029070 k( 55) = ( 0.0888889 0.5000000 -0.0000000), wk = 0.0029070 k( 56) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0029070 k( 57) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0029070 k( 58) = ( 0.1222222 0.5000000 -0.0000000), wk = 0.0029070 k( 59) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0029070 k( 60) = ( 0.1444444 0.5000000 -0.0000000), wk = 0.0029070 k( 61) = ( 0.1555556 0.5000000 -0.0000000), wk = 0.0029070 k( 62) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0029070 k( 63) = ( 0.1777778 0.5000000 -0.0000000), wk = 0.0029070 k( 64) = ( 0.1888889 0.5000000 -0.0000000), wk = 0.0029070 k( 65) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0029070 k( 66) = ( 0.2111111 0.5000000 -0.0000000), wk = 0.0029070 k( 67) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0029070 k( 68) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0029070 k( 69) = ( 0.2444444 0.5000000 -0.0000000), wk = 0.0029070 k( 70) = ( 0.2555556 0.5000000 -0.0000000), wk = 0.0029070 k( 71) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0029070 k( 72) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0029070 k( 73) = ( 0.2888889 0.5000000 -0.0000000), wk = 0.0029070 k( 74) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0029070 k( 75) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0029070 k( 76) = ( 0.3222222 0.5000000 -0.0000000), wk = 0.0029070 k( 77) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0029070 k( 78) = ( 0.3444444 0.5000000 -0.0000000), wk = 0.0029070 k( 79) = ( 0.3555556 0.5000000 -0.0000000), wk = 0.0029070 k( 80) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0029070 k( 81) = ( 0.3777778 0.5000000 -0.0000000), wk = 0.0029070 k( 82) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0029070 k( 83) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0029070 k( 84) = ( 0.4111111 0.5000000 -0.0000000), wk = 0.0029070 k( 85) = ( 0.4222222 0.5000000 -0.0000000), wk = 0.0029070 k( 86) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0029070 k( 87) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0029070 k( 88) = ( 0.4555556 0.5000000 -0.0000000), wk = 0.0029070 k( 89) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0029070 k( 90) = ( 0.4777778 0.5000000 -0.0000000), wk = 0.0029070 k( 91) = ( 0.4888889 0.5000000 -0.0000000), wk = 0.0029070 k( 92) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029070 k( 93) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029070 k( 94) = ( 0.4920635 0.4920635 -0.0000000), wk = 0.0029070 k( 95) = ( 0.4841270 0.4841270 -0.0000000), wk = 0.0029070 k( 96) = ( 0.4761905 0.4761905 -0.0000000), wk = 0.0029070 k( 97) = ( 0.4682540 0.4682540 -0.0000000), wk = 0.0029070 k( 98) = ( 0.4603175 0.4603175 -0.0000000), wk = 0.0029070 k( 99) = ( 0.4523810 0.4523809 -0.0000000), wk = 0.0029070 k( 100) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0029070 k( 101) = ( 0.4365079 0.4365079 -0.0000000), wk = 0.0029070 k( 102) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0029070 k( 103) = ( 0.4206349 0.4206349 -0.0000000), wk = 0.0029070 k( 104) = ( 0.4126984 0.4126984 -0.0000000), wk = 0.0029070 k( 105) = ( 0.4047619 0.4047619 -0.0000000), wk = 0.0029070 k( 106) = ( 0.3968254 0.3968254 -0.0000000), wk = 0.0029070 k( 107) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0029070 k( 108) = ( 0.3809524 0.3809524 -0.0000000), wk = 0.0029070 k( 109) = ( 0.3730159 0.3730159 -0.0000000), wk = 0.0029070 k( 110) = ( 0.3650794 0.3650794 -0.0000000), wk = 0.0029070 k( 111) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0029070 k( 112) = ( 0.3492063 0.3492063 -0.0000000), wk = 0.0029070 k( 113) = ( 0.3412698 0.3412698 -0.0000000), wk = 0.0029070 k( 114) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0029070 k( 115) = ( 0.3253968 0.3253968 -0.0000000), wk = 0.0029070 k( 116) = ( 0.3174603 0.3174603 -0.0000000), wk = 0.0029070 k( 117) = ( 0.3095238 0.3095238 -0.0000000), wk = 0.0029070 k( 118) = ( 0.3015873 0.3015873 -0.0000000), wk = 0.0029070 k( 119) = ( 0.2936508 0.2936508 -0.0000000), wk = 0.0029070 k( 120) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0029070 k( 121) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0029070 k( 122) = ( 0.2698413 0.2698413 -0.0000000), wk = 0.0029070 k( 123) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0029070 k( 124) = ( 0.2539683 0.2539683 -0.0000000), wk = 0.0029070 k( 125) = ( 0.2460317 0.2460317 -0.0000000), wk = 0.0029070 k( 126) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0029070 k( 127) = ( 0.2301587 0.2301587 -0.0000000), wk = 0.0029070 k( 128) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0029070 k( 129) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0029070 k( 130) = ( 0.2063492 0.2063492 -0.0000000), wk = 0.0029070 k( 131) = ( 0.1984127 0.1984127 -0.0000000), wk = 0.0029070 k( 132) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0029070 k( 133) = ( 0.1825397 0.1825397 -0.0000000), wk = 0.0029070 k( 134) = ( 0.1746032 0.1746032 -0.0000000), wk = 0.0029070 k( 135) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0029070 k( 136) = ( 0.1587302 0.1587302 -0.0000000), wk = 0.0029070 k( 137) = ( 0.1507937 0.1507936 -0.0000000), wk = 0.0029070 k( 138) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0029070 k( 139) = ( 0.1349206 0.1349206 -0.0000000), wk = 0.0029070 k( 140) = ( 0.1269841 0.1269841 -0.0000000), wk = 0.0029070 k( 141) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0029070 k( 142) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0029070 k( 143) = ( 0.1031746 0.1031746 -0.0000000), wk = 0.0029070 k( 144) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0029070 k( 145) = ( 0.0873016 0.0873016 -0.0000000), wk = 0.0029070 k( 146) = ( 0.0793651 0.0793651 -0.0000000), wk = 0.0029070 k( 147) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0029070 k( 148) = ( 0.0634921 0.0634921 -0.0000000), wk = 0.0029070 k( 149) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0029070 k( 150) = ( 0.0476191 0.0476190 -0.0000000), wk = 0.0029070 k( 151) = ( 0.0396825 0.0396825 -0.0000000), wk = 0.0029070 k( 152) = ( 0.0317460 0.0317460 -0.0000000), wk = 0.0029070 k( 153) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0029070 k( 154) = ( 0.0158730 0.0158730 -0.0000000), wk = 0.0029070 k( 155) = ( 0.0079365 0.0079365 -0.0000000), wk = 0.0029070 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 158) = ( 0.0064935 0.0064935 0.0064935), wk = 0.0029070 k( 159) = ( 0.0129870 0.0129870 0.0129870), wk = 0.0029070 k( 160) = ( 0.0194805 0.0194805 0.0194805), wk = 0.0029070 k( 161) = ( 0.0259740 0.0259740 0.0259740), wk = 0.0029070 k( 162) = ( 0.0324675 0.0324675 0.0324675), wk = 0.0029070 k( 163) = ( 0.0389610 0.0389610 0.0389610), wk = 0.0029070 k( 164) = ( 0.0454546 0.0454545 0.0454545), wk = 0.0029070 k( 165) = ( 0.0519481 0.0519480 0.0519480), wk = 0.0029070 k( 166) = ( 0.0584416 0.0584416 0.0584416), wk = 0.0029070 k( 167) = ( 0.0649351 0.0649351 0.0649351), wk = 0.0029070 k( 168) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0029070 k( 169) = ( 0.0779221 0.0779221 0.0779221), wk = 0.0029070 k( 170) = ( 0.0844156 0.0844156 0.0844156), wk = 0.0029070 k( 171) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0029070 k( 172) = ( 0.0974026 0.0974026 0.0974026), wk = 0.0029070 k( 173) = ( 0.1038961 0.1038961 0.1038961), wk = 0.0029070 k( 174) = ( 0.1103896 0.1103896 0.1103896), wk = 0.0029070 k( 175) = ( 0.1168831 0.1168831 0.1168831), wk = 0.0029070 k( 176) = ( 0.1233766 0.1233766 0.1233766), wk = 0.0029070 k( 177) = ( 0.1298701 0.1298701 0.1298701), wk = 0.0029070 k( 178) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0029070 k( 179) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0029070 k( 180) = ( 0.1493507 0.1493506 0.1493506), wk = 0.0029070 k( 181) = ( 0.1558442 0.1558442 0.1558442), wk = 0.0029070 k( 182) = ( 0.1623377 0.1623377 0.1623377), wk = 0.0029070 k( 183) = ( 0.1688312 0.1688312 0.1688312), wk = 0.0029070 k( 184) = ( 0.1753247 0.1753247 0.1753247), wk = 0.0029070 k( 185) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0029070 k( 186) = ( 0.1883117 0.1883117 0.1883117), wk = 0.0029070 k( 187) = ( 0.1948052 0.1948052 0.1948052), wk = 0.0029070 k( 188) = ( 0.2012987 0.2012987 0.2012987), wk = 0.0029070 k( 189) = ( 0.2077922 0.2077922 0.2077922), wk = 0.0029070 k( 190) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0029070 k( 191) = ( 0.2207792 0.2207792 0.2207792), wk = 0.0029070 k( 192) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0029070 k( 193) = ( 0.2337662 0.2337662 0.2337662), wk = 0.0029070 k( 194) = ( 0.2402597 0.2402597 0.2402597), wk = 0.0029070 k( 195) = ( 0.2467533 0.2467532 0.2467532), wk = 0.0029070 k( 196) = ( 0.2532468 0.2532468 0.2532467), wk = 0.0029070 k( 197) = ( 0.2597403 0.2597403 0.2597403), wk = 0.0029070 k( 198) = ( 0.2662338 0.2662338 0.2662338), wk = 0.0029070 k( 199) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0029070 k( 200) = ( 0.2792208 0.2792208 0.2792208), wk = 0.0029070 k( 201) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0029070 k( 202) = ( 0.2922078 0.2922078 0.2922078), wk = 0.0029070 k( 203) = ( 0.2987013 0.2987013 0.2987013), wk = 0.0029070 k( 204) = ( 0.3051948 0.3051948 0.3051948), wk = 0.0029070 k( 205) = ( 0.3116883 0.3116883 0.3116883), wk = 0.0029070 k( 206) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0029070 k( 207) = ( 0.3246753 0.3246753 0.3246753), wk = 0.0029070 k( 208) = ( 0.3311688 0.3311688 0.3311688), wk = 0.0029070 k( 209) = ( 0.3376623 0.3376623 0.3376623), wk = 0.0029070 k( 210) = ( 0.3441558 0.3441558 0.3441558), wk = 0.0029070 k( 211) = ( 0.3506494 0.3506493 0.3506493), wk = 0.0029070 k( 212) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0029070 k( 213) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0029070 k( 214) = ( 0.3701299 0.3701299 0.3701299), wk = 0.0029070 k( 215) = ( 0.3766234 0.3766234 0.3766234), wk = 0.0029070 k( 216) = ( 0.3831169 0.3831169 0.3831169), wk = 0.0029070 k( 217) = ( 0.3896104 0.3896104 0.3896104), wk = 0.0029070 k( 218) = ( 0.3961039 0.3961039 0.3961039), wk = 0.0029070 k( 219) = ( 0.4025974 0.4025974 0.4025974), wk = 0.0029070 k( 220) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0029070 k( 221) = ( 0.4155844 0.4155844 0.4155844), wk = 0.0029070 k( 222) = ( 0.4220779 0.4220779 0.4220779), wk = 0.0029070 k( 223) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0029070 k( 224) = ( 0.4350649 0.4350649 0.4350649), wk = 0.0029070 k( 225) = ( 0.4415584 0.4415584 0.4415584), wk = 0.0029070 k( 226) = ( 0.4480519 0.4480519 0.4480519), wk = 0.0029070 k( 227) = ( 0.4545455 0.4545454 0.4545454), wk = 0.0029070 k( 228) = ( 0.4610390 0.4610390 0.4610390), wk = 0.0029070 k( 229) = ( 0.4675325 0.4675325 0.4675325), wk = 0.0029070 k( 230) = ( 0.4740260 0.4740260 0.4740260), wk = 0.0029070 k( 231) = ( 0.4805195 0.4805195 0.4805195), wk = 0.0029070 k( 232) = ( 0.4870130 0.4870130 0.4870130), wk = 0.0029070 k( 233) = ( 0.4935065 0.4935065 0.4935065), wk = 0.0029070 k( 234) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029070 k( 235) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029070 k( 236) = ( 0.4920635 0.5000000 0.4920635), wk = 0.0029070 k( 237) = ( 0.4841270 0.5000000 0.4841270), wk = 0.0029070 k( 238) = ( 0.4761905 0.5000000 0.4761905), wk = 0.0029070 k( 239) = ( 0.4682540 0.5000000 0.4682540), wk = 0.0029070 k( 240) = ( 0.4603175 0.5000000 0.4603175), wk = 0.0029070 k( 241) = ( 0.4523810 0.5000000 0.4523809), wk = 0.0029070 k( 242) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0029070 k( 243) = ( 0.4365079 0.5000000 0.4365079), wk = 0.0029070 k( 244) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0029070 k( 245) = ( 0.4206349 0.5000000 0.4206349), wk = 0.0029070 k( 246) = ( 0.4126984 0.5000000 0.4126984), wk = 0.0029070 k( 247) = ( 0.4047619 0.5000000 0.4047619), wk = 0.0029070 k( 248) = ( 0.3968254 0.5000000 0.3968254), wk = 0.0029070 k( 249) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0029070 k( 250) = ( 0.3809524 0.5000000 0.3809524), wk = 0.0029070 k( 251) = ( 0.3730159 0.5000000 0.3730159), wk = 0.0029070 k( 252) = ( 0.3650794 0.5000000 0.3650794), wk = 0.0029070 k( 253) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0029070 k( 254) = ( 0.3492063 0.5000000 0.3492063), wk = 0.0029070 k( 255) = ( 0.3412698 0.5000000 0.3412698), wk = 0.0029070 k( 256) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0029070 k( 257) = ( 0.3253968 0.5000000 0.3253968), wk = 0.0029070 k( 258) = ( 0.3174603 0.5000000 0.3174603), wk = 0.0029070 k( 259) = ( 0.3095238 0.5000000 0.3095238), wk = 0.0029070 k( 260) = ( 0.3015873 0.5000000 0.3015873), wk = 0.0029070 k( 261) = ( 0.2936508 0.5000000 0.2936508), wk = 0.0029070 k( 262) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0029070 k( 263) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0029070 k( 264) = ( 0.2698413 0.5000000 0.2698413), wk = 0.0029070 k( 265) = ( 0.2619048 0.5000000 0.2619048), wk = 0.0029070 k( 266) = ( 0.2539683 0.5000000 0.2539682), wk = 0.0029070 k( 267) = ( 0.2460317 0.5000000 0.2460317), wk = 0.0029070 k( 268) = ( 0.2380952 0.5000000 0.2380952), wk = 0.0029070 k( 269) = ( 0.2301587 0.5000000 0.2301587), wk = 0.0029070 k( 270) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0029070 k( 271) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0029070 k( 272) = ( 0.2063492 0.5000000 0.2063492), wk = 0.0029070 k( 273) = ( 0.1984127 0.5000000 0.1984127), wk = 0.0029070 k( 274) = ( 0.1904762 0.5000000 0.1904762), wk = 0.0029070 k( 275) = ( 0.1825397 0.5000000 0.1825397), wk = 0.0029070 k( 276) = ( 0.1746032 0.5000000 0.1746032), wk = 0.0029070 k( 277) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0029070 k( 278) = ( 0.1587302 0.5000000 0.1587302), wk = 0.0029070 k( 279) = ( 0.1507937 0.5000000 0.1507936), wk = 0.0029070 k( 280) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0029070 k( 281) = ( 0.1349206 0.5000000 0.1349206), wk = 0.0029070 k( 282) = ( 0.1269841 0.5000000 0.1269841), wk = 0.0029070 k( 283) = ( 0.1190476 0.5000000 0.1190476), wk = 0.0029070 k( 284) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0029070 k( 285) = ( 0.1031746 0.5000000 0.1031746), wk = 0.0029070 k( 286) = ( 0.0952381 0.5000000 0.0952381), wk = 0.0029070 k( 287) = ( 0.0873016 0.5000000 0.0873016), wk = 0.0029070 k( 288) = ( 0.0793651 0.5000000 0.0793651), wk = 0.0029070 k( 289) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0029070 k( 290) = ( 0.0634921 0.5000000 0.0634921), wk = 0.0029070 k( 291) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0029070 k( 292) = ( 0.0476191 0.5000000 0.0476190), wk = 0.0029070 k( 293) = ( 0.0396825 0.5000000 0.0396825), wk = 0.0029070 k( 294) = ( 0.0317460 0.5000000 0.0317460), wk = 0.0029070 k( 295) = ( 0.0238095 0.5000000 0.0238095), wk = 0.0029070 k( 296) = ( 0.0158730 0.5000000 0.0158730), wk = 0.0029070 k( 297) = ( 0.0079365 0.5000000 0.0079365), wk = 0.0029070 k( 298) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029070 k( 299) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029070 k( 300) = ( 0.5000000 0.5000000 0.0111111), wk = 0.0029070 k( 301) = ( 0.5000000 0.5000000 0.0222222), wk = 0.0029070 k( 302) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0029070 k( 303) = ( 0.5000000 0.5000000 0.0444444), wk = 0.0029070 k( 304) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0029070 k( 305) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0029070 k( 306) = ( 0.5000000 0.5000000 0.0777778), wk = 0.0029070 k( 307) = ( 0.5000000 0.5000000 0.0888889), wk = 0.0029070 k( 308) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0029070 k( 309) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0029070 k( 310) = ( 0.5000000 0.5000000 0.1222222), wk = 0.0029070 k( 311) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0029070 k( 312) = ( 0.5000000 0.5000000 0.1444444), wk = 0.0029070 k( 313) = ( 0.5000000 0.5000000 0.1555556), wk = 0.0029070 k( 314) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0029070 k( 315) = ( 0.5000000 0.5000000 0.1777778), wk = 0.0029070 k( 316) = ( 0.5000000 0.5000000 0.1888889), wk = 0.0029070 k( 317) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0029070 k( 318) = ( 0.5000000 0.5000000 0.2111111), wk = 0.0029070 k( 319) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0029070 k( 320) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0029070 k( 321) = ( 0.5000000 0.5000000 0.2444444), wk = 0.0029070 k( 322) = ( 0.5000000 0.5000000 0.2555556), wk = 0.0029070 k( 323) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0029070 k( 324) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0029070 k( 325) = ( 0.5000000 0.5000000 0.2888889), wk = 0.0029070 k( 326) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0029070 k( 327) = ( 0.5000000 0.5000000 0.3111111), wk = 0.0029070 k( 328) = ( 0.5000000 0.5000000 0.3222222), wk = 0.0029070 k( 329) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0029070 k( 330) = ( 0.5000000 0.5000000 0.3444444), wk = 0.0029070 k( 331) = ( 0.5000000 0.5000000 0.3555556), wk = 0.0029070 k( 332) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0029070 k( 333) = ( 0.5000000 0.5000000 0.3777778), wk = 0.0029070 k( 334) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0029070 k( 335) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0029070 k( 336) = ( 0.5000000 0.5000000 0.4111111), wk = 0.0029070 k( 337) = ( 0.5000000 0.5000000 0.4222222), wk = 0.0029070 k( 338) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0029070 k( 339) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0029070 k( 340) = ( 0.5000000 0.5000000 0.4555556), wk = 0.0029070 k( 341) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0029070 k( 342) = ( 0.5000000 0.5000000 0.4777778), wk = 0.0029070 k( 343) = ( 0.5000000 0.5000000 0.4888889), wk = 0.0029070 k( 344) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029070 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 2) = ( 0.0000000 0.0111111 0.0000000), wk = 0.0029070 k( 3) = ( 0.0000000 0.0222222 0.0000000), wk = 0.0029070 k( 4) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0029070 k( 5) = ( 0.0000000 0.0444444 0.0000000), wk = 0.0029070 k( 6) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0029070 k( 7) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0029070 k( 8) = ( 0.0000000 0.0777778 0.0000000), wk = 0.0029070 k( 9) = ( 0.0000000 0.0888889 0.0000000), wk = 0.0029070 k( 10) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0029070 k( 11) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0029070 k( 12) = ( 0.0000000 0.1222222 0.0000000), wk = 0.0029070 k( 13) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0029070 k( 14) = ( 0.0000000 0.1444444 0.0000000), wk = 0.0029070 k( 15) = ( 0.0000000 0.1555556 0.0000000), wk = 0.0029070 k( 16) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0029070 k( 17) = ( 0.0000000 0.1777778 0.0000000), wk = 0.0029070 k( 18) = ( 0.0000000 0.1888889 0.0000000), wk = 0.0029070 k( 19) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0029070 k( 20) = ( 0.0000000 0.2111111 0.0000000), wk = 0.0029070 k( 21) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0029070 k( 22) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0029070 k( 23) = ( 0.0000000 0.2444444 0.0000000), wk = 0.0029070 k( 24) = ( 0.0000000 0.2555556 0.0000000), wk = 0.0029070 k( 25) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0029070 k( 26) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0029070 k( 27) = ( 0.0000000 0.2888889 0.0000000), wk = 0.0029070 k( 28) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0029070 k( 29) = ( 0.0000000 0.3111111 0.0000000), wk = 0.0029070 k( 30) = ( 0.0000000 0.3222222 0.0000000), wk = 0.0029070 k( 31) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0029070 k( 32) = ( 0.0000000 0.3444444 0.0000000), wk = 0.0029070 k( 33) = ( 0.0000000 0.3555556 0.0000000), wk = 0.0029070 k( 34) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0029070 k( 35) = ( 0.0000000 0.3777778 0.0000000), wk = 0.0029070 k( 36) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0029070 k( 37) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0029070 k( 38) = ( 0.0000000 0.4111111 0.0000000), wk = 0.0029070 k( 39) = ( 0.0000000 0.4222222 0.0000000), wk = 0.0029070 k( 40) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0029070 k( 41) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0029070 k( 42) = ( 0.0000000 0.4555556 0.0000000), wk = 0.0029070 k( 43) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0029070 k( 44) = ( 0.0000000 0.4777778 0.0000000), wk = 0.0029070 k( 45) = ( 0.0000000 0.4888889 0.0000000), wk = 0.0029070 k( 46) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029070 k( 47) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029070 k( 48) = ( 0.0111111 0.5000000 0.0000000), wk = 0.0029070 k( 49) = ( 0.0222222 0.5000000 0.0000000), wk = 0.0029070 k( 50) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0029070 k( 51) = ( 0.0444444 0.5000000 0.0000000), wk = 0.0029070 k( 52) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0029070 k( 53) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0029070 k( 54) = ( 0.0777778 0.5000000 0.0000000), wk = 0.0029070 k( 55) = ( 0.0888889 0.5000000 0.0000000), wk = 0.0029070 k( 56) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0029070 k( 57) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0029070 k( 58) = ( 0.1222222 0.5000000 0.0000000), wk = 0.0029070 k( 59) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0029070 k( 60) = ( 0.1444444 0.5000000 0.0000000), wk = 0.0029070 k( 61) = ( 0.1555556 0.5000000 0.0000000), wk = 0.0029070 k( 62) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0029070 k( 63) = ( 0.1777778 0.5000000 0.0000000), wk = 0.0029070 k( 64) = ( 0.1888889 0.5000000 0.0000000), wk = 0.0029070 k( 65) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0029070 k( 66) = ( 0.2111111 0.5000000 0.0000000), wk = 0.0029070 k( 67) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0029070 k( 68) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0029070 k( 69) = ( 0.2444444 0.5000000 0.0000000), wk = 0.0029070 k( 70) = ( 0.2555556 0.5000000 0.0000000), wk = 0.0029070 k( 71) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0029070 k( 72) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0029070 k( 73) = ( 0.2888889 0.5000000 0.0000000), wk = 0.0029070 k( 74) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0029070 k( 75) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0029070 k( 76) = ( 0.3222222 0.5000000 -0.0000000), wk = 0.0029070 k( 77) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0029070 k( 78) = ( 0.3444444 0.5000000 0.0000000), wk = 0.0029070 k( 79) = ( 0.3555556 0.5000000 0.0000000), wk = 0.0029070 k( 80) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0029070 k( 81) = ( 0.3777778 0.5000000 0.0000000), wk = 0.0029070 k( 82) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0029070 k( 83) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0029070 k( 84) = ( 0.4111111 0.5000000 0.0000000), wk = 0.0029070 k( 85) = ( 0.4222222 0.5000000 0.0000000), wk = 0.0029070 k( 86) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0029070 k( 87) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0029070 k( 88) = ( 0.4555556 0.5000000 0.0000000), wk = 0.0029070 k( 89) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0029070 k( 90) = ( 0.4777778 0.5000000 0.0000000), wk = 0.0029070 k( 91) = ( 0.4888889 0.5000000 0.0000000), wk = 0.0029070 k( 92) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029070 k( 93) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029070 k( 94) = ( 0.4920635 0.4920635 0.0000000), wk = 0.0029070 k( 95) = ( 0.4841270 0.4841270 0.0000000), wk = 0.0029070 k( 96) = ( 0.4761905 0.4761905 0.0000000), wk = 0.0029070 k( 97) = ( 0.4682540 0.4682540 0.0000000), wk = 0.0029070 k( 98) = ( 0.4603175 0.4603175 0.0000000), wk = 0.0029070 k( 99) = ( 0.4523810 0.4523810 0.0000000), wk = 0.0029070 k( 100) = ( 0.4444444 0.4444444 0.0000000), wk = 0.0029070 k( 101) = ( 0.4365079 0.4365079 0.0000000), wk = 0.0029070 k( 102) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0029070 k( 103) = ( 0.4206349 0.4206349 0.0000000), wk = 0.0029070 k( 104) = ( 0.4126984 0.4126984 0.0000000), wk = 0.0029070 k( 105) = ( 0.4047619 0.4047619 0.0000000), wk = 0.0029070 k( 106) = ( 0.3968254 0.3968254 0.0000000), wk = 0.0029070 k( 107) = ( 0.3888889 0.3888889 0.0000000), wk = 0.0029070 k( 108) = ( 0.3809524 0.3809524 0.0000000), wk = 0.0029070 k( 109) = ( 0.3730159 0.3730159 0.0000000), wk = 0.0029070 k( 110) = ( 0.3650794 0.3650794 0.0000000), wk = 0.0029070 k( 111) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0029070 k( 112) = ( 0.3492063 0.3492063 0.0000000), wk = 0.0029070 k( 113) = ( 0.3412698 0.3412698 0.0000000), wk = 0.0029070 k( 114) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0029070 k( 115) = ( 0.3253968 0.3253968 0.0000000), wk = 0.0029070 k( 116) = ( 0.3174603 0.3174603 0.0000000), wk = 0.0029070 k( 117) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0029070 k( 118) = ( 0.3015873 0.3015873 0.0000000), wk = 0.0029070 k( 119) = ( 0.2936508 0.2936508 0.0000000), wk = 0.0029070 k( 120) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0029070 k( 121) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0029070 k( 122) = ( 0.2698413 0.2698413 0.0000000), wk = 0.0029070 k( 123) = ( 0.2619048 0.2619048 0.0000000), wk = 0.0029070 k( 124) = ( 0.2539683 0.2539683 0.0000000), wk = 0.0029070 k( 125) = ( 0.2460317 0.2460317 0.0000000), wk = 0.0029070 k( 126) = ( 0.2380952 0.2380952 0.0000000), wk = 0.0029070 k( 127) = ( 0.2301587 0.2301587 0.0000000), wk = 0.0029070 k( 128) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0029070 k( 129) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0029070 k( 130) = ( 0.2063492 0.2063492 0.0000000), wk = 0.0029070 k( 131) = ( 0.1984127 0.1984127 0.0000000), wk = 0.0029070 k( 132) = ( 0.1904762 0.1904762 0.0000000), wk = 0.0029070 k( 133) = ( 0.1825397 0.1825397 0.0000000), wk = 0.0029070 k( 134) = ( 0.1746032 0.1746032 0.0000000), wk = 0.0029070 k( 135) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0029070 k( 136) = ( 0.1587302 0.1587302 0.0000000), wk = 0.0029070 k( 137) = ( 0.1507937 0.1507937 0.0000000), wk = 0.0029070 k( 138) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0029070 k( 139) = ( 0.1349206 0.1349206 0.0000000), wk = 0.0029070 k( 140) = ( 0.1269841 0.1269841 0.0000000), wk = 0.0029070 k( 141) = ( 0.1190476 0.1190476 0.0000000), wk = 0.0029070 k( 142) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0029070 k( 143) = ( 0.1031746 0.1031746 0.0000000), wk = 0.0029070 k( 144) = ( 0.0952381 0.0952381 0.0000000), wk = 0.0029070 k( 145) = ( 0.0873016 0.0873016 0.0000000), wk = 0.0029070 k( 146) = ( 0.0793651 0.0793651 0.0000000), wk = 0.0029070 k( 147) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0029070 k( 148) = ( 0.0634921 0.0634921 0.0000000), wk = 0.0029070 k( 149) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0029070 k( 150) = ( 0.0476191 0.0476191 0.0000000), wk = 0.0029070 k( 151) = ( 0.0396825 0.0396825 0.0000000), wk = 0.0029070 k( 152) = ( 0.0317460 0.0317460 0.0000000), wk = 0.0029070 k( 153) = ( 0.0238095 0.0238095 0.0000000), wk = 0.0029070 k( 154) = ( 0.0158730 0.0158730 0.0000000), wk = 0.0029070 k( 155) = ( 0.0079365 0.0079365 0.0000000), wk = 0.0029070 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029070 k( 158) = ( 0.0064935 0.0064935 0.0064935), wk = 0.0029070 k( 159) = ( 0.0129870 0.0129870 0.0129870), wk = 0.0029070 k( 160) = ( 0.0194805 0.0194805 0.0194805), wk = 0.0029070 k( 161) = ( 0.0259740 0.0259740 0.0259740), wk = 0.0029070 k( 162) = ( 0.0324675 0.0324675 0.0324675), wk = 0.0029070 k( 163) = ( 0.0389610 0.0389610 0.0389610), wk = 0.0029070 k( 164) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0029070 k( 165) = ( 0.0519481 0.0519481 0.0519481), wk = 0.0029070 k( 166) = ( 0.0584416 0.0584416 0.0584416), wk = 0.0029070 k( 167) = ( 0.0649351 0.0649351 0.0649351), wk = 0.0029070 k( 168) = ( 0.0714286 0.0714286 0.0714286), wk = 0.0029070 k( 169) = ( 0.0779221 0.0779221 0.0779221), wk = 0.0029070 k( 170) = ( 0.0844156 0.0844156 0.0844156), wk = 0.0029070 k( 171) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0029070 k( 172) = ( 0.0974026 0.0974026 0.0974026), wk = 0.0029070 k( 173) = ( 0.1038961 0.1038961 0.1038961), wk = 0.0029070 k( 174) = ( 0.1103896 0.1103896 0.1103896), wk = 0.0029070 k( 175) = ( 0.1168831 0.1168831 0.1168831), wk = 0.0029070 k( 176) = ( 0.1233766 0.1233766 0.1233766), wk = 0.0029070 k( 177) = ( 0.1298701 0.1298701 0.1298701), wk = 0.0029070 k( 178) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0029070 k( 179) = ( 0.1428571 0.1428571 0.1428571), wk = 0.0029070 k( 180) = ( 0.1493507 0.1493507 0.1493507), wk = 0.0029070 k( 181) = ( 0.1558442 0.1558442 0.1558442), wk = 0.0029070 k( 182) = ( 0.1623377 0.1623377 0.1623377), wk = 0.0029070 k( 183) = ( 0.1688312 0.1688312 0.1688312), wk = 0.0029070 k( 184) = ( 0.1753247 0.1753247 0.1753247), wk = 0.0029070 k( 185) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0029070 k( 186) = ( 0.1883117 0.1883117 0.1883117), wk = 0.0029070 k( 187) = ( 0.1948052 0.1948052 0.1948052), wk = 0.0029070 k( 188) = ( 0.2012987 0.2012987 0.2012987), wk = 0.0029070 k( 189) = ( 0.2077922 0.2077922 0.2077922), wk = 0.0029070 k( 190) = ( 0.2142857 0.2142857 0.2142857), wk = 0.0029070 k( 191) = ( 0.2207792 0.2207792 0.2207792), wk = 0.0029070 k( 192) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0029070 k( 193) = ( 0.2337662 0.2337662 0.2337662), wk = 0.0029070 k( 194) = ( 0.2402597 0.2402597 0.2402597), wk = 0.0029070 k( 195) = ( 0.2467533 0.2467533 0.2467533), wk = 0.0029070 k( 196) = ( 0.2532468 0.2532468 0.2532468), wk = 0.0029070 k( 197) = ( 0.2597403 0.2597403 0.2597403), wk = 0.0029070 k( 198) = ( 0.2662338 0.2662338 0.2662338), wk = 0.0029070 k( 199) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0029070 k( 200) = ( 0.2792208 0.2792208 0.2792208), wk = 0.0029070 k( 201) = ( 0.2857143 0.2857143 0.2857143), wk = 0.0029070 k( 202) = ( 0.2922078 0.2922078 0.2922078), wk = 0.0029070 k( 203) = ( 0.2987013 0.2987013 0.2987013), wk = 0.0029070 k( 204) = ( 0.3051948 0.3051948 0.3051948), wk = 0.0029070 k( 205) = ( 0.3116883 0.3116883 0.3116883), wk = 0.0029070 k( 206) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0029070 k( 207) = ( 0.3246753 0.3246753 0.3246753), wk = 0.0029070 k( 208) = ( 0.3311688 0.3311688 0.3311688), wk = 0.0029070 k( 209) = ( 0.3376623 0.3376623 0.3376623), wk = 0.0029070 k( 210) = ( 0.3441558 0.3441558 0.3441558), wk = 0.0029070 k( 211) = ( 0.3506494 0.3506494 0.3506494), wk = 0.0029070 k( 212) = ( 0.3571429 0.3571429 0.3571429), wk = 0.0029070 k( 213) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0029070 k( 214) = ( 0.3701299 0.3701299 0.3701299), wk = 0.0029070 k( 215) = ( 0.3766234 0.3766234 0.3766234), wk = 0.0029070 k( 216) = ( 0.3831169 0.3831169 0.3831169), wk = 0.0029070 k( 217) = ( 0.3896104 0.3896104 0.3896104), wk = 0.0029070 k( 218) = ( 0.3961039 0.3961039 0.3961039), wk = 0.0029070 k( 219) = ( 0.4025974 0.4025974 0.4025974), wk = 0.0029070 k( 220) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0029070 k( 221) = ( 0.4155844 0.4155844 0.4155844), wk = 0.0029070 k( 222) = ( 0.4220779 0.4220779 0.4220779), wk = 0.0029070 k( 223) = ( 0.4285714 0.4285714 0.4285714), wk = 0.0029070 k( 224) = ( 0.4350649 0.4350649 0.4350649), wk = 0.0029070 k( 225) = ( 0.4415584 0.4415584 0.4415584), wk = 0.0029070 k( 226) = ( 0.4480519 0.4480519 0.4480519), wk = 0.0029070 k( 227) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0029070 k( 228) = ( 0.4610390 0.4610390 0.4610390), wk = 0.0029070 k( 229) = ( 0.4675325 0.4675325 0.4675325), wk = 0.0029070 k( 230) = ( 0.4740260 0.4740260 0.4740260), wk = 0.0029070 k( 231) = ( 0.4805195 0.4805195 0.4805195), wk = 0.0029070 k( 232) = ( 0.4870130 0.4870130 0.4870130), wk = 0.0029070 k( 233) = ( 0.4935065 0.4935065 0.4935065), wk = 0.0029070 k( 234) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029070 k( 235) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029070 k( 236) = ( 0.4920635 0.5000000 0.4920635), wk = 0.0029070 k( 237) = ( 0.4841270 0.5000000 0.4841270), wk = 0.0029070 k( 238) = ( 0.4761905 0.5000000 0.4761905), wk = 0.0029070 k( 239) = ( 0.4682540 0.5000000 0.4682540), wk = 0.0029070 k( 240) = ( 0.4603175 0.5000000 0.4603175), wk = 0.0029070 k( 241) = ( 0.4523810 0.5000000 0.4523810), wk = 0.0029070 k( 242) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0029070 k( 243) = ( 0.4365079 0.5000000 0.4365079), wk = 0.0029070 k( 244) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0029070 k( 245) = ( 0.4206349 0.5000000 0.4206349), wk = 0.0029070 k( 246) = ( 0.4126984 0.5000000 0.4126984), wk = 0.0029070 k( 247) = ( 0.4047619 0.5000000 0.4047619), wk = 0.0029070 k( 248) = ( 0.3968254 0.5000000 0.3968254), wk = 0.0029070 k( 249) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0029070 k( 250) = ( 0.3809524 0.5000000 0.3809524), wk = 0.0029070 k( 251) = ( 0.3730159 0.5000000 0.3730159), wk = 0.0029070 k( 252) = ( 0.3650794 0.5000000 0.3650794), wk = 0.0029070 k( 253) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0029070 k( 254) = ( 0.3492063 0.5000000 0.3492063), wk = 0.0029070 k( 255) = ( 0.3412698 0.5000000 0.3412698), wk = 0.0029070 k( 256) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0029070 k( 257) = ( 0.3253968 0.5000000 0.3253968), wk = 0.0029070 k( 258) = ( 0.3174603 0.5000000 0.3174603), wk = 0.0029070 k( 259) = ( 0.3095238 0.5000000 0.3095238), wk = 0.0029070 k( 260) = ( 0.3015873 0.5000000 0.3015873), wk = 0.0029070 k( 261) = ( 0.2936508 0.5000000 0.2936508), wk = 0.0029070 k( 262) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0029070 k( 263) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0029070 k( 264) = ( 0.2698413 0.5000000 0.2698413), wk = 0.0029070 k( 265) = ( 0.2619048 0.5000000 0.2619048), wk = 0.0029070 k( 266) = ( 0.2539683 0.5000000 0.2539683), wk = 0.0029070 k( 267) = ( 0.2460317 0.5000000 0.2460317), wk = 0.0029070 k( 268) = ( 0.2380952 0.5000000 0.2380952), wk = 0.0029070 k( 269) = ( 0.2301587 0.5000000 0.2301587), wk = 0.0029070 k( 270) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0029070 k( 271) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0029070 k( 272) = ( 0.2063492 0.5000000 0.2063492), wk = 0.0029070 k( 273) = ( 0.1984127 0.5000000 0.1984127), wk = 0.0029070 k( 274) = ( 0.1904762 0.5000000 0.1904762), wk = 0.0029070 k( 275) = ( 0.1825397 0.5000000 0.1825397), wk = 0.0029070 k( 276) = ( 0.1746032 0.5000000 0.1746032), wk = 0.0029070 k( 277) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0029070 k( 278) = ( 0.1587302 0.5000000 0.1587302), wk = 0.0029070 k( 279) = ( 0.1507937 0.5000000 0.1507937), wk = 0.0029070 k( 280) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0029070 k( 281) = ( 0.1349206 0.5000000 0.1349206), wk = 0.0029070 k( 282) = ( 0.1269841 0.5000000 0.1269841), wk = 0.0029070 k( 283) = ( 0.1190476 0.5000000 0.1190476), wk = 0.0029070 k( 284) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0029070 k( 285) = ( 0.1031746 0.5000000 0.1031746), wk = 0.0029070 k( 286) = ( 0.0952381 0.5000000 0.0952381), wk = 0.0029070 k( 287) = ( 0.0873016 0.5000000 0.0873016), wk = 0.0029070 k( 288) = ( 0.0793651 0.5000000 0.0793651), wk = 0.0029070 k( 289) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0029070 k( 290) = ( 0.0634921 0.5000000 0.0634921), wk = 0.0029070 k( 291) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0029070 k( 292) = ( 0.0476191 0.5000000 0.0476191), wk = 0.0029070 k( 293) = ( 0.0396825 0.5000000 0.0396825), wk = 0.0029070 k( 294) = ( 0.0317460 0.5000000 0.0317460), wk = 0.0029070 k( 295) = ( 0.0238095 0.5000000 0.0238095), wk = 0.0029070 k( 296) = ( 0.0158730 0.5000000 0.0158730), wk = 0.0029070 k( 297) = ( 0.0079365 0.5000000 0.0079365), wk = 0.0029070 k( 298) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029070 k( 299) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029070 k( 300) = ( 0.5000000 0.5000000 0.0111111), wk = 0.0029070 k( 301) = ( 0.5000000 0.5000000 0.0222222), wk = 0.0029070 k( 302) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0029070 k( 303) = ( 0.5000000 0.5000000 0.0444444), wk = 0.0029070 k( 304) = ( 0.5000000 0.5000000 0.0555556), wk = 0.0029070 k( 305) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0029070 k( 306) = ( 0.5000000 0.5000000 0.0777778), wk = 0.0029070 k( 307) = ( 0.5000000 0.5000000 0.0888889), wk = 0.0029070 k( 308) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0029070 k( 309) = ( 0.5000000 0.5000000 0.1111111), wk = 0.0029070 k( 310) = ( 0.5000000 0.5000000 0.1222222), wk = 0.0029070 k( 311) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0029070 k( 312) = ( 0.5000000 0.5000000 0.1444444), wk = 0.0029070 k( 313) = ( 0.5000000 0.5000000 0.1555556), wk = 0.0029070 k( 314) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0029070 k( 315) = ( 0.5000000 0.5000000 0.1777778), wk = 0.0029070 k( 316) = ( 0.5000000 0.5000000 0.1888889), wk = 0.0029070 k( 317) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0029070 k( 318) = ( 0.5000000 0.5000000 0.2111111), wk = 0.0029070 k( 319) = ( 0.5000000 0.5000000 0.2222222), wk = 0.0029070 k( 320) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0029070 k( 321) = ( 0.5000000 0.5000000 0.2444444), wk = 0.0029070 k( 322) = ( 0.5000000 0.5000000 0.2555556), wk = 0.0029070 k( 323) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0029070 k( 324) = ( 0.5000000 0.5000000 0.2777778), wk = 0.0029070 k( 325) = ( 0.5000000 0.5000000 0.2888889), wk = 0.0029070 k( 326) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0029070 k( 327) = ( 0.5000000 0.5000000 0.3111111), wk = 0.0029070 k( 328) = ( 0.5000000 0.5000000 0.3222222), wk = 0.0029070 k( 329) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0029070 k( 330) = ( 0.5000000 0.5000000 0.3444444), wk = 0.0029070 k( 331) = ( 0.5000000 0.5000000 0.3555556), wk = 0.0029070 k( 332) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0029070 k( 333) = ( 0.5000000 0.5000000 0.3777778), wk = 0.0029070 k( 334) = ( 0.5000000 0.5000000 0.3888889), wk = 0.0029070 k( 335) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0029070 k( 336) = ( 0.5000000 0.5000000 0.4111111), wk = 0.0029070 k( 337) = ( 0.5000000 0.5000000 0.4222222), wk = 0.0029070 k( 338) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0029070 k( 339) = ( 0.5000000 0.5000000 0.4444444), wk = 0.0029070 k( 340) = ( 0.5000000 0.5000000 0.4555556), wk = 0.0029070 k( 341) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0029070 k( 342) = ( 0.5000000 0.5000000 0.4777778), wk = 0.0029070 k( 343) = ( 0.5000000 0.5000000 0.4888889), wk = 0.0029070 k( 344) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029070 Dense grid: 18805 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 12797 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 100, 46) NL pseudopotentials 0.10 Mb ( 50, 136) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 521) G-vector shells 0.00 Mb ( 155) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.28 Mb ( 100, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.19 Mb ( 136, 2, 46) The potential is recalculated from file : ./FeNi3.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 2.8 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 3.9 secs Computing kpt #: 6 total cpu time spent up to now is 4.2 secs Computing kpt #: 7 total cpu time spent up to now is 4.4 secs Computing kpt #: 8 total cpu time spent up to now is 4.7 secs Computing kpt #: 9 total cpu time spent up to now is 5.0 secs Computing kpt #: 10 total cpu time spent up to now is 5.2 secs Computing kpt #: 11 total cpu time spent up to now is 5.5 secs Computing kpt #: 12 total cpu time spent up to now is 5.7 secs Computing kpt #: 13 total cpu time spent up to now is 6.0 secs Computing kpt #: 14 total cpu time spent up to now is 6.2 secs Computing kpt #: 15 total cpu time spent up to now is 6.5 secs Computing kpt #: 16 total cpu time spent up to now is 6.8 secs Computing kpt #: 17 total cpu time spent up to now is 7.0 secs Computing kpt #: 18 total cpu time spent up to now is 7.3 secs Computing kpt #: 19 total cpu time spent up to now is 7.6 secs Computing kpt #: 20 total cpu time spent up to now is 7.9 secs Computing kpt #: 21 total cpu time spent up to now is 8.2 secs Computing kpt #: 22 total cpu time spent up to now is 8.5 secs Computing kpt #: 23 total cpu time spent up to now is 8.8 secs Computing kpt #: 24 total cpu time spent up to now is 9.1 secs Computing kpt #: 25 total cpu time spent up to now is 9.2 secs Computing kpt #: 26 total cpu time spent up to now is 9.5 secs Computing kpt #: 27 total cpu time spent up to now is 9.8 secs Computing kpt #: 28 total cpu time spent up to now is 10.1 secs Computing kpt #: 29 total cpu time spent up to now is 10.4 secs Computing kpt #: 30 total cpu time spent up to now is 10.7 secs Computing kpt #: 31 total cpu time spent up to now is 11.0 secs Computing kpt #: 32 total cpu time spent up to now is 11.3 secs Computing kpt #: 33 total cpu time spent up to now is 11.7 secs Computing kpt #: 34 total cpu time spent up to now is 12.0 secs Computing kpt #: 35 total cpu time spent up to now is 12.2 secs Computing kpt #: 36 total cpu time spent up to now is 12.4 secs Computing kpt #: 37 total cpu time spent up to now is 12.6 secs Computing kpt #: 38 total cpu time spent up to now is 12.8 secs Computing kpt #: 39 total cpu time spent up to now is 13.0 secs Computing kpt #: 40 total cpu time spent up to now is 13.2 secs Computing kpt #: 41 total cpu time spent up to now is 13.4 secs Computing kpt #: 42 total cpu time spent up to now is 13.7 secs Computing kpt #: 43 total cpu time spent up to now is 13.9 secs Computing kpt #: 44 total cpu time spent up to now is 14.2 secs Computing kpt #: 45 total cpu time spent up to now is 14.5 secs Computing kpt #: 46 total cpu time spent up to now is 14.7 secs Computing kpt #: 47 total cpu time spent up to now is 15.0 secs Computing kpt #: 48 total cpu time spent up to now is 15.3 secs Computing kpt #: 49 total cpu time spent up to now is 15.6 secs Computing kpt #: 50 total cpu time spent up to now is 16.0 secs Computing kpt #: 51 total cpu time spent up to now is 16.4 secs Computing kpt #: 52 total cpu time spent up to now is 16.8 secs Computing kpt #: 53 total cpu time spent up to now is 17.2 secs Computing kpt #: 54 total cpu time spent up to now is 17.6 secs Computing kpt #: 55 total cpu time spent up to now is 18.0 secs Computing kpt #: 56 total cpu time spent up to now is 18.3 secs Computing kpt #: 57 total cpu time spent up to now is 18.6 secs Computing kpt #: 58 total cpu time spent up to now is 19.0 secs Computing kpt #: 59 total cpu time spent up to now is 19.3 secs Computing kpt #: 60 total cpu time spent up to now is 19.5 secs Computing kpt #: 61 total cpu time spent up to now is 19.8 secs Computing kpt #: 62 total cpu time spent up to now is 20.1 secs Computing kpt #: 63 total cpu time spent up to now is 20.4 secs Computing kpt #: 64 total cpu time spent up to now is 20.6 secs Computing kpt #: 65 total cpu time spent up to now is 20.9 secs Computing kpt #: 66 total cpu time spent up to now is 21.2 secs Computing kpt #: 67 total cpu time spent up to now is 21.5 secs Computing kpt #: 68 total cpu time spent up to now is 21.7 secs Computing kpt #: 69 total cpu time spent up to now is 22.0 secs Computing kpt #: 70 total cpu time spent up to now is 22.3 secs Computing kpt #: 71 total cpu time spent up to now is 22.5 secs Computing kpt #: 72 total cpu time spent up to now is 22.8 secs Computing kpt #: 73 total cpu time spent up to now is 23.3 secs Computing kpt #: 74 total cpu time spent up to now is 23.5 secs Computing kpt #: 75 total cpu time spent up to now is 23.7 secs Computing kpt #: 76 total cpu time spent up to now is 24.0 secs Computing kpt #: 77 total cpu time spent up to now is 24.2 secs Computing kpt #: 78 total cpu time spent up to now is 24.5 secs Computing kpt #: 79 total cpu time spent up to now is 24.7 secs Computing kpt #: 80 total cpu time spent up to now is 25.0 secs Computing kpt #: 81 total cpu time spent up to now is 25.2 secs Computing kpt #: 82 total cpu time spent up to now is 25.5 secs Computing kpt #: 83 total cpu time spent up to now is 25.8 secs Computing kpt #: 84 total cpu time spent up to now is 26.0 secs Computing kpt #: 85 total cpu time spent up to now is 26.3 secs Computing kpt #: 86 total cpu time spent up to now is 26.5 secs Computing kpt #: 87 total cpu time spent up to now is 26.8 secs Computing kpt #: 88 total cpu time spent up to now is 27.1 secs Computing kpt #: 89 total cpu time spent up to now is 27.3 secs Computing kpt #: 90 total cpu time spent up to now is 27.6 secs Computing kpt #: 91 total cpu time spent up to now is 27.8 secs Computing kpt #: 92 total cpu time spent up to now is 28.1 secs Computing kpt #: 93 total cpu time spent up to now is 28.3 secs Computing kpt #: 94 total cpu time spent up to now is 28.6 secs Computing kpt #: 95 total cpu time spent up to now is 28.8 secs Computing kpt #: 96 total cpu time spent up to now is 29.1 secs Computing kpt #: 97 total cpu time spent up to now is 29.3 secs Computing kpt #: 98 total cpu time spent up to now is 29.6 secs Computing kpt #: 99 total cpu time spent up to now is 29.8 secs Computing kpt #: 100 total cpu time spent up to now is 30.0 secs Computing kpt #: 101 total cpu time spent up to now is 30.3 secs Computing kpt #: 102 total cpu time spent up to now is 30.5 secs Computing kpt #: 103 total cpu time spent up to now is 30.7 secs Computing kpt #: 104 total cpu time spent up to now is 30.9 secs Computing kpt #: 105 total cpu time spent up to now is 31.1 secs Computing kpt #: 106 total cpu time spent up to now is 31.3 secs Computing kpt #: 107 total cpu time spent up to now is 31.6 secs Computing kpt #: 108 total cpu time spent up to now is 31.8 secs Computing kpt #: 109 total cpu time spent up to now is 32.0 secs Computing kpt #: 110 total cpu time spent up to now is 32.2 secs Computing kpt #: 111 total cpu time spent up to now is 32.4 secs Computing kpt #: 112 total cpu time spent up to now is 32.5 secs Computing kpt #: 113 total cpu time spent up to now is 32.7 secs Computing kpt #: 114 total cpu time spent up to now is 32.9 secs Computing kpt #: 115 total cpu time spent up to now is 33.1 secs Computing kpt #: 116 total cpu time spent up to now is 33.2 secs Computing kpt #: 117 total cpu time spent up to now is 33.4 secs Computing kpt #: 118 total cpu time spent up to now is 33.6 secs Computing kpt #: 119 total cpu time spent up to now is 33.8 secs Computing kpt #: 120 total cpu time spent up to now is 33.9 secs Computing kpt #: 121 total cpu time spent up to now is 34.1 secs Computing kpt #: 122 total cpu time spent up to now is 34.3 secs Computing kpt #: 123 total cpu time spent up to now is 34.4 secs Computing kpt #: 124 total cpu time spent up to now is 34.6 secs Computing kpt #: 125 total cpu time spent up to now is 34.8 secs Computing kpt #: 126 total cpu time spent up to now is 35.0 secs Computing kpt #: 127 total cpu time spent up to now is 35.1 secs Computing kpt #: 128 total cpu time spent up to now is 35.3 secs Computing kpt #: 129 total cpu time spent up to now is 35.5 secs Computing kpt #: 130 total cpu time spent up to now is 35.7 secs Computing kpt #: 131 total cpu time spent up to now is 35.8 secs Computing kpt #: 132 total cpu time spent up to now is 36.0 secs Computing kpt #: 133 total cpu time spent up to now is 36.2 secs Computing kpt #: 134 total cpu time spent up to now is 36.4 secs Computing kpt #: 135 total cpu time spent up to now is 36.6 secs Computing kpt #: 136 total cpu time spent up to now is 36.8 secs Computing kpt #: 137 total cpu time spent up to now is 37.0 secs Computing kpt #: 138 total cpu time spent up to now is 37.2 secs Computing kpt #: 139 total cpu time spent up to now is 37.4 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 38.2 secs Computing kpt #: 144 total cpu time spent up to now is 38.4 secs Computing kpt #: 145 total cpu time spent up to now is 38.6 secs Computing kpt #: 146 total cpu time spent up to now is 38.8 secs Computing kpt #: 147 total cpu time spent up to now is 39.0 secs Computing kpt #: 148 total cpu time spent up to now is 39.3 secs Computing kpt #: 149 total cpu time spent up to now is 39.5 secs Computing kpt #: 150 total cpu time spent up to now is 39.7 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 40.7 secs Computing kpt #: 155 total cpu time spent up to now is 40.9 secs Computing kpt #: 156 total cpu time spent up to now is 41.2 secs Computing kpt #: 157 total cpu time spent up to now is 41.5 secs Computing kpt #: 158 total cpu time spent up to now is 41.7 secs Computing kpt #: 159 total cpu time spent up to now is 42.0 secs Computing kpt #: 160 total cpu time spent up to now is 42.3 secs Computing kpt #: 161 total cpu time spent up to now is 42.5 secs Computing kpt #: 162 total cpu time spent up to now is 42.8 secs Computing kpt #: 163 total cpu time spent up to now is 43.0 secs Computing kpt #: 164 total cpu time spent up to now is 43.3 secs Computing kpt #: 165 total cpu time spent up to now is 43.5 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 44.6 secs Computing kpt #: 170 total cpu time spent up to now is 44.8 secs Computing kpt #: 171 total cpu time spent up to now is 45.1 secs Computing kpt #: 172 total cpu time spent up to now is 45.3 secs Computing kpt #: 173 total cpu time spent up to now is 45.6 secs Computing kpt #: 174 total cpu time spent up to now is 45.8 secs Computing kpt #: 175 total cpu time spent up to now is 46.0 secs Computing kpt #: 176 total cpu time spent up to now is 46.3 secs Computing kpt #: 177 total cpu time spent up to now is 46.5 secs Computing kpt #: 178 total cpu time spent up to now is 46.8 secs Computing kpt #: 179 total cpu time spent up to now is 47.0 secs Computing kpt #: 180 total cpu time spent up to now is 47.3 secs Computing kpt #: 181 total cpu time spent up to now is 47.5 secs Computing kpt #: 182 total cpu time spent up to now is 47.7 secs Computing kpt #: 183 total cpu time spent up to now is 48.0 secs Computing kpt #: 184 total cpu time spent up to now is 48.2 secs Computing kpt #: 185 total cpu time spent up to now is 48.4 secs Computing kpt #: 186 total cpu time spent up to now is 48.6 secs Computing kpt #: 187 total cpu time spent up to now is 48.9 secs Computing kpt #: 188 total cpu time spent up to now is 49.1 secs Computing kpt #: 189 total cpu time spent up to now is 49.3 secs Computing kpt #: 190 total cpu time spent up to now is 49.6 secs Computing kpt #: 191 total cpu time spent up to now is 49.8 secs Computing kpt #: 192 total cpu time spent up to now is 50.0 secs Computing kpt #: 193 total cpu time spent up to now is 50.3 secs Computing kpt #: 194 total cpu time spent up to now is 50.5 secs Computing kpt #: 195 total cpu time spent up to now is 50.8 secs Computing kpt #: 196 total cpu time spent up to now is 51.0 secs Computing kpt #: 197 total cpu time spent up to now is 51.3 secs Computing kpt #: 198 total cpu time spent up to now is 51.5 secs Computing kpt #: 199 total cpu time spent up to now is 51.8 secs Computing kpt #: 200 total cpu time spent up to now is 52.0 secs Computing kpt #: 201 total cpu time spent up to now is 52.3 secs Computing kpt #: 202 total cpu time spent up to now is 52.6 secs Computing kpt #: 203 total cpu time spent up to now is 52.8 secs Computing kpt #: 204 total cpu time spent up to now is 53.1 secs Computing kpt #: 205 total cpu time spent up to now is 53.4 secs Computing kpt #: 206 total cpu time spent up to now is 53.7 secs Computing kpt #: 207 total cpu time spent up to now is 54.0 secs Computing kpt #: 208 total cpu time spent up to now is 54.2 secs Computing kpt #: 209 total cpu time spent up to now is 54.5 secs Computing kpt #: 210 total cpu time spent up to now is 54.8 secs Computing kpt #: 211 total cpu time spent up to now is 55.1 secs Computing kpt #: 212 total cpu time spent up to now is 55.4 secs Computing kpt #: 213 total cpu time spent up to now is 55.6 secs Computing kpt #: 214 total cpu time spent up to now is 55.9 secs Computing kpt #: 215 total cpu time spent up to now is 56.2 secs Computing kpt #: 216 total cpu time spent up to now is 56.5 secs Computing kpt #: 217 total cpu time spent up to now is 56.8 secs Computing kpt #: 218 total cpu time spent up to now is 57.0 secs Computing kpt #: 219 total cpu time spent up to now is 57.3 secs Computing kpt #: 220 total cpu time spent up to now is 57.6 secs Computing kpt #: 221 total cpu time spent up to now is 57.9 secs Computing kpt #: 222 total cpu time spent up to now is 58.2 secs Computing kpt #: 223 total cpu time spent up to now is 58.6 secs Computing kpt #: 224 total cpu time spent up to now is 58.8 secs Computing kpt #: 225 total cpu time spent up to now is 59.2 secs Computing kpt #: 226 total cpu time spent up to now is 59.6 secs Computing kpt #: 227 total cpu time spent up to now is 60.0 secs Computing kpt #: 228 total cpu time spent up to now is 60.3 secs Computing kpt #: 229 total cpu time spent up to now is 60.7 secs Computing kpt #: 230 total cpu time spent up to now is 61.0 secs Computing kpt #: 231 total cpu time spent up to now is 61.3 secs Computing kpt #: 232 total cpu time spent up to now is 61.6 secs Computing kpt #: 233 total cpu time spent up to now is 61.9 secs Computing kpt #: 234 total cpu time spent up to now is 62.2 secs Computing kpt #: 235 total cpu time spent up to now is 62.5 secs Computing kpt #: 236 total cpu time spent up to now is 62.8 secs Computing kpt #: 237 total cpu time spent up to now is 63.1 secs Computing kpt #: 238 total cpu time spent up to now is 63.5 secs Computing kpt #: 239 total cpu time spent up to now is 63.8 secs Computing kpt #: 240 total cpu time spent up to now is 64.2 secs Computing kpt #: 241 total cpu time spent up to now is 64.5 secs Computing kpt #: 242 total cpu time spent up to now is 64.8 secs Computing kpt #: 243 total cpu time spent up to now is 65.1 secs Computing kpt #: 244 total cpu time spent up to now is 65.4 secs Computing kpt #: 245 total cpu time spent up to now is 65.7 secs Computing kpt #: 246 total cpu time spent up to now is 66.0 secs Computing kpt #: 247 total cpu time spent up to now is 66.2 secs Computing kpt #: 248 total cpu time spent up to now is 66.5 secs Computing kpt #: 249 total cpu time spent up to now is 66.7 secs Computing kpt #: 250 total cpu time spent up to now is 67.0 secs Computing kpt #: 251 total cpu time spent up to now is 67.2 secs Computing kpt #: 252 total cpu time spent up to now is 67.5 secs Computing kpt #: 253 total cpu time spent up to now is 67.7 secs Computing kpt #: 254 total cpu time spent up to now is 68.0 secs Computing kpt #: 255 total cpu time spent up to now is 68.8 secs Computing kpt #: 256 total cpu time spent up to now is 69.1 secs Computing kpt #: 257 total cpu time spent up to now is 69.3 secs Computing kpt #: 258 total cpu time spent up to now is 69.5 secs Computing kpt #: 259 total cpu time spent up to now is 69.8 secs Computing kpt #: 260 total cpu time spent up to now is 70.1 secs Computing kpt #: 261 total cpu time spent up to now is 70.3 secs Computing kpt #: 262 total cpu time spent up to now is 70.6 secs Computing kpt #: 263 total cpu time spent up to now is 70.8 secs Computing kpt #: 264 total cpu time spent up to now is 71.1 secs Computing kpt #: 265 total cpu time spent up to now is 71.3 secs Computing kpt #: 266 total cpu time spent up to now is 71.6 secs Computing kpt #: 267 total cpu time spent up to now is 71.8 secs Computing kpt #: 268 total cpu time spent up to now is 72.1 secs Computing kpt #: 269 total cpu time spent up to now is 72.3 secs Computing kpt #: 270 total cpu time spent up to now is 72.6 secs Computing kpt #: 271 total cpu time spent up to now is 72.8 secs Computing kpt #: 272 total cpu time spent up to now is 73.1 secs Computing kpt #: 273 total cpu time spent up to now is 73.3 secs Computing kpt #: 274 total cpu time spent up to now is 73.6 secs Computing kpt #: 275 total cpu time spent up to now is 73.8 secs Computing kpt #: 276 total cpu time spent up to now is 74.1 secs Computing kpt #: 277 total cpu time spent up to now is 74.3 secs Computing kpt #: 278 total cpu time spent up to now is 74.6 secs Computing kpt #: 279 total cpu time spent up to now is 74.9 secs Computing kpt #: 280 total cpu time spent up to now is 75.1 secs Computing kpt #: 281 total cpu time spent up to now is 75.4 secs Computing kpt #: 282 total cpu time spent up to now is 75.7 secs Computing kpt #: 283 total cpu time spent up to now is 76.1 secs Computing kpt #: 284 total cpu time spent up to now is 76.5 secs Computing kpt #: 285 total cpu time spent up to now is 76.9 secs Computing kpt #: 286 total cpu time spent up to now is 77.3 secs Computing kpt #: 287 total cpu time spent up to now is 77.7 secs Computing kpt #: 288 total cpu time spent up to now is 78.1 secs Computing kpt #: 289 total cpu time spent up to now is 78.4 secs Computing kpt #: 290 total cpu time spent up to now is 78.8 secs Computing kpt #: 291 total cpu time spent up to now is 79.2 secs Computing kpt #: 292 total cpu time spent up to now is 79.6 secs Computing kpt #: 293 total cpu time spent up to now is 80.1 secs Computing kpt #: 294 total cpu time spent up to now is 80.5 secs Computing kpt #: 295 total cpu time spent up to now is 80.9 secs Computing kpt #: 296 total cpu time spent up to now is 81.2 secs Computing kpt #: 297 total cpu time spent up to now is 81.5 secs Computing kpt #: 298 total cpu time spent up to now is 81.8 secs Computing kpt #: 299 total cpu time spent up to now is 82.0 secs Computing kpt #: 300 total cpu time spent up to now is 82.3 secs Computing kpt #: 301 total cpu time spent up to now is 82.5 secs Computing kpt #: 302 total cpu time spent up to now is 82.8 secs Computing kpt #: 303 total cpu time spent up to now is 83.0 secs Computing kpt #: 304 total cpu time spent up to now is 83.4 secs Computing kpt #: 305 total cpu time spent up to now is 83.6 secs Computing kpt #: 306 total cpu time spent up to now is 83.9 secs Computing kpt #: 307 total cpu time spent up to now is 84.2 secs Computing kpt #: 308 total cpu time spent up to now is 84.5 secs Computing kpt #: 309 total cpu time spent up to now is 84.7 secs Computing kpt #: 310 total cpu time spent up to now is 85.0 secs Computing kpt #: 311 total cpu time spent up to now is 85.3 secs Computing kpt #: 312 total cpu time spent up to now is 85.5 secs Computing kpt #: 313 total cpu time spent up to now is 85.8 secs Computing kpt #: 314 total cpu time spent up to now is 86.1 secs Computing kpt #: 315 total cpu time spent up to now is 86.4 secs Computing kpt #: 316 total cpu time spent up to now is 86.7 secs Computing kpt #: 317 total cpu time spent up to now is 86.9 secs Computing kpt #: 318 total cpu time spent up to now is 87.2 secs Computing kpt #: 319 total cpu time spent up to now is 87.5 secs Computing kpt #: 320 total cpu time spent up to now is 87.8 secs Computing kpt #: 321 total cpu time spent up to now is 88.1 secs Computing kpt #: 322 total cpu time spent up to now is 88.4 secs Computing kpt #: 323 total cpu time spent up to now is 88.7 secs Computing kpt #: 324 total cpu time spent up to now is 88.9 secs Computing kpt #: 325 total cpu time spent up to now is 89.2 secs Computing kpt #: 326 total cpu time spent up to now is 89.5 secs Computing kpt #: 327 total cpu time spent up to now is 89.8 secs Computing kpt #: 328 total cpu time spent up to now is 90.0 secs Computing kpt #: 329 total cpu time spent up to now is 90.3 secs Computing kpt #: 330 total cpu time spent up to now is 90.6 secs Computing kpt #: 331 total cpu time spent up to now is 91.0 secs Computing kpt #: 332 total cpu time spent up to now is 91.4 secs Computing kpt #: 333 total cpu time spent up to now is 91.8 secs Computing kpt #: 334 total cpu time spent up to now is 92.0 secs Computing kpt #: 335 total cpu time spent up to now is 92.3 secs Computing kpt #: 336 total cpu time spent up to now is 92.6 secs Computing kpt #: 337 total cpu time spent up to now is 93.0 secs Computing kpt #: 338 total cpu time spent up to now is 93.3 secs Computing kpt #: 339 total cpu time spent up to now is 93.6 secs Computing kpt #: 340 total cpu time spent up to now is 93.9 secs Computing kpt #: 341 total cpu time spent up to now is 94.2 secs Computing kpt #: 342 total cpu time spent up to now is 94.6 secs Computing kpt #: 343 total cpu time spent up to now is 94.9 secs Computing kpt #: 344 total cpu time spent up to now is 95.2 secs ethr = 2.63E-08, avg # of iterations = 19.9 total cpu time spent up to now is 95.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1575 PWs) bands (ev): 4.4023 4.4023 8.8473 8.8473 8.8473 8.8473 8.9559 8.9559 9.4875 9.4875 9.5054 9.5054 9.5054 9.5054 11.3282 11.3282 11.3282 11.3282 11.4628 11.4628 12.4724 12.4724 12.4724 12.4724 12.9782 12.9782 13.1942 13.1942 13.2606 13.2606 13.2606 13.2606 13.5999 13.5999 13.5999 13.5999 13.9047 13.9047 13.9047 13.9047 13.9614 13.9614 15.7268 15.7268 15.7268 15.7268 k = 0.0000 0.0111-0.0000 ( 1575 PWs) bands (ev): 4.4039 4.4039 8.8477 8.8477 8.8482 8.8482 8.9565 8.9565 9.4880 9.4880 9.5059 9.5059 9.5059 9.5059 11.3279 11.3279 11.3286 11.3286 11.4629 11.4629 12.4719 12.4719 12.4726 12.4726 12.9777 12.9777 13.1924 13.1924 13.2578 13.2578 13.2599 13.2599 13.5991 13.5991 13.5993 13.5993 13.9006 13.9006 13.9036 13.9036 13.9589 13.9589 15.7206 15.7206 15.7339 15.7339 k = 0.0000 0.0222-0.0000 ( 1575 PWs) bands (ev): 4.4087 4.4087 8.8488 8.8488 8.8510 8.8510 8.9583 8.9583 9.4896 9.4896 9.5075 9.5075 9.5076 9.5076 11.3271 11.3271 11.3299 11.3299 11.4632 11.4632 12.4701 12.4701 12.4731 12.4731 12.9760 12.9760 13.1868 13.1868 13.2494 13.2494 13.2578 13.2578 13.5968 13.5968 13.5975 13.5975 13.8888 13.8888 13.8997 13.8997 13.9519 13.9519 15.6964 15.6964 15.7547 15.7547 k = 0.0000 0.0333-0.0000 ( 1571 PWs) bands (ev): 4.4166 4.4166 8.8505 8.8505 8.8555 8.8555 8.9612 8.9612 9.4923 9.4923 9.5102 9.5102 9.5103 9.5103 11.3258 11.3258 11.3323 11.3323 11.4639 11.4639 12.4675 12.4675 12.4740 12.4740 12.9733 12.9733 13.1766 13.1766 13.2353 13.2353 13.2550 13.2550 13.5929 13.5929 13.5945 13.5945 13.8699 13.8699 13.8914 13.8914 13.9430 13.9430 15.6556 15.6556 15.7888 15.7888 k = 0.0000 0.0444-0.0000 ( 1567 PWs) bands (ev): 4.4278 4.4278 8.8527 8.8527 8.8618 8.8618 8.9654 8.9654 9.4961 9.4961 9.5139 9.5139 9.5142 9.5142 11.3238 11.3238 11.3356 11.3356 11.4651 11.4651 12.4635 12.4635 12.4755 12.4755 12.9694 12.9694 13.1612 13.1612 13.2154 13.2154 13.2521 13.2521 13.5875 13.5875 13.5905 13.5905 13.8451 13.8451 13.8765 13.8765 13.9354 13.9354 15.5996 15.5996 15.8350 15.8350 k = 0.0000 0.0556-0.0000 ( 1571 PWs) bands (ev): 4.4422 4.4422 8.8550 8.8550 8.8699 8.8699 8.9709 8.9709 9.5010 9.5010 9.5187 9.5187 9.5191 9.5191 11.3209 11.3209 11.3394 11.3394 11.4665 11.4665 12.4583 12.4583 12.4771 12.4771 12.9643 12.9643 13.1401 13.1401 13.1897 13.1897 13.2495 13.2495 13.5804 13.5804 13.5852 13.5852 13.8154 13.8154 13.8549 13.8549 13.9303 13.9303 15.5295 15.5295 15.8923 15.8923 k = 0.0000 0.0667-0.0000 ( 1579 PWs) bands (ev): 4.4597 4.4597 8.8579 8.8579 8.8796 8.8796 8.9777 8.9777 9.5066 9.5066 9.5244 9.5244 9.5247 9.5247 11.3170 11.3170 11.3441 11.3441 11.4685 11.4685 12.4521 12.4521 12.4790 12.4790 12.9581 12.9581 13.1130 13.1130 13.1584 13.1584 13.2473 13.2473 13.5718 13.5718 13.5789 13.5789 13.7823 13.7823 13.8285 13.8285 13.9271 13.9271 15.4465 15.4465 15.9593 15.9593 k = 0.0000 0.0778-0.0000 ( 1579 PWs) bands (ev): 4.4804 4.4804 8.8609 8.8609 8.8912 8.8912 8.9862 8.9862 9.5136 9.5136 9.5313 9.5313 9.5318 9.5318 11.3121 11.3121 11.3496 11.3496 11.4714 11.4714 12.4447 12.4447 12.4812 12.4812 12.9506 12.9506 13.0801 13.0801 13.1214 13.1214 13.2456 13.2456 13.5615 13.5615 13.5715 13.5715 13.7471 13.7471 13.7993 13.7993 13.9251 13.9251 15.3522 15.3522 16.0349 16.0349 k = 0.0000 0.0889-0.0000 ( 1579 PWs) bands (ev): 4.5043 4.5043 8.8639 8.8639 8.9046 8.9046 8.9963 8.9963 9.5217 9.5217 9.5393 9.5393 9.5401 9.5401 11.3059 11.3059 11.3560 11.3560 11.4750 11.4750 12.4362 12.4362 12.4837 12.4837 12.9418 12.9418 13.0416 13.0416 13.0793 13.0793 13.2443 13.2443 13.5497 13.5497 13.5631 13.5631 13.7105 13.7105 13.7686 13.7686 13.9237 13.9237 15.2478 15.2478 16.1181 16.1181 k = 0.0000 0.1000-0.0000 ( 1583 PWs) bands (ev): 4.5313 4.5313 8.8666 8.8666 8.9194 8.9194 9.0078 9.0078 9.5305 9.5305 9.5481 9.5481 9.5490 9.5490 11.2985 11.2985 11.3632 11.3632 11.4797 11.4797 12.4273 12.4273 12.4865 12.4865 12.9314 12.9314 12.9977 12.9977 13.0325 13.0325 13.2431 13.2431 13.5361 13.5361 13.5537 13.5537 13.6735 13.6735 13.7373 13.7373 13.9225 13.9225 15.1350 15.1350 16.2078 16.2078 k = 0.0000 0.1111-0.0000 ( 1583 PWs) bands (ev): 4.5614 4.5614 8.8690 8.8690 8.9361 8.9361 9.0211 9.0211 9.5407 9.5407 9.5582 9.5582 9.5595 9.5595 11.2898 11.2898 11.3712 11.3712 11.4853 11.4853 12.4167 12.4167 12.4896 12.4896 12.9184 12.9184 12.9488 12.9488 12.9825 12.9825 13.2421 13.2421 13.5209 13.5209 13.5432 13.5432 13.6364 13.6364 13.7062 13.7062 13.9216 13.9216 15.0152 15.0152 16.3032 16.3032 k = 0.0000 0.1222-0.0000 ( 1583 PWs) bands (ev): 4.5947 4.5947 8.8707 8.8707 8.9544 8.9544 9.0361 9.0361 9.5520 9.5520 9.5693 9.5693 9.5711 9.5711 11.2797 11.2797 11.3799 11.3799 11.4920 11.4920 12.4050 12.4050 12.4930 12.4930 12.8955 12.8955 12.8972 12.8972 12.9355 12.9355 13.2412 13.2412 13.5038 13.5038 13.5316 13.5316 13.5998 13.5998 13.6755 13.6755 13.9208 13.9208 14.8898 14.8898 16.4038 16.4038 k = 0.0000 0.1333-0.0000 ( 1583 PWs) bands (ev): 4.6310 4.6310 8.8718 8.8718 8.9742 8.9742 9.0526 9.0526 9.5643 9.5643 9.5815 9.5815 9.5837 9.5837 11.2683 11.2683 11.3900 11.3900 11.5002 11.5002 12.3923 12.3923 12.4968 12.4968 12.8382 12.8382 12.8524 12.8524 12.9072 12.9072 13.2402 13.2402 13.4844 13.4844 13.5188 13.5188 13.5635 13.5635 13.6456 13.6456 13.9200 13.9200 14.7602 14.7602 16.5087 16.5087 k = 0.0000 0.1444-0.0000 ( 1587 PWs) bands (ev): 4.6705 4.6705 8.8719 8.8719 8.9955 8.9955 9.0708 9.0708 9.5776 9.5776 9.5947 9.5947 9.5975 9.5975 11.2555 11.2555 11.4002 11.4002 11.5089 11.5089 12.3786 12.3786 12.5006 12.5006 12.7776 12.7776 12.7932 12.7932 12.8895 12.8895 13.2391 13.2391 13.4632 13.4632 13.5046 13.5046 13.5276 13.5276 13.6165 13.6165 13.9193 13.9193 14.6278 14.6278 16.6177 16.6177 k = 0.0000 0.1556-0.0000 ( 1587 PWs) bands (ev): 4.7130 4.7130 8.8710 8.8710 9.0184 9.0184 9.0905 9.0905 9.5919 9.5919 9.6091 9.6091 9.6125 9.6125 11.2415 11.2415 11.4112 11.4112 11.5185 11.5185 12.3640 12.3640 12.5044 12.5044 12.7143 12.7143 12.7295 12.7295 12.8731 12.8731 13.2378 13.2378 13.4396 13.4396 13.4889 13.4889 13.4924 13.4924 13.5888 13.5888 13.9187 13.9187 14.4941 14.4941 16.7303 16.7303 k = 0.0000 0.1667-0.0000 ( 1583 PWs) bands (ev): 4.7585 4.7585 8.8690 8.8690 9.0428 9.0428 9.1117 9.1117 9.6073 9.6073 9.6245 9.6245 9.6286 9.6286 11.2262 11.2262 11.4227 11.4227 11.5290 11.5290 12.3484 12.3484 12.5079 12.5079 12.6488 12.6488 12.6638 12.6638 12.8564 12.8564 13.2361 13.2361 13.4134 13.4134 13.4578 13.4578 13.4712 13.4712 13.5626 13.5626 13.9180 13.9180 14.3605 14.3605 16.8461 16.8461 k = 0.0000 0.1778-0.0000 ( 1591 PWs) bands (ev): 4.8070 4.8070 8.8656 8.8656 9.0683 9.0683 9.1341 9.1341 9.6233 9.6233 9.6406 9.6406 9.6452 9.6452 11.2097 11.2097 11.4349 11.4349 11.5403 11.5403 12.3319 12.3319 12.5097 12.5097 12.5815 12.5815 12.5982 12.5982 12.8386 12.8386 13.2335 13.2335 13.3836 13.3836 13.4239 13.4239 13.4512 13.4512 13.5384 13.5384 13.9173 13.9173 14.2285 14.2285 16.9649 16.9649 k = 0.0000 0.1889-0.0000 ( 1595 PWs) bands (ev): 4.8586 4.8586 8.8606 8.8606 9.0948 9.0948 9.1576 9.1576 9.6406 9.6406 9.6582 9.6582 9.6636 9.6636 11.1920 11.1920 11.4477 11.4477 11.5523 11.5523 12.3145 12.3145 12.4987 12.4987 12.5129 12.5129 12.5446 12.5446 12.8199 12.8199 13.2292 13.2292 13.3503 13.3503 13.3907 13.3907 13.4286 13.4286 13.5162 13.5162 13.9166 13.9166 14.1001 14.1001 17.0864 17.0864 k = 0.0000 0.2000-0.0000 ( 1595 PWs) bands (ev): 4.9130 4.9130 8.8538 8.8538 9.1229 9.1229 9.1825 9.1825 9.6588 9.6588 9.6769 9.6769 9.6830 9.6830 11.1732 11.1732 11.4609 11.4609 11.5649 11.5649 12.2963 12.2963 12.4436 12.4436 12.4457 12.4457 12.5327 12.5327 12.8002 12.8002 13.2206 13.2206 13.3152 13.3152 13.3579 13.3579 13.4036 13.4036 13.4960 13.4960 13.9160 13.9160 13.9773 13.9773 17.2105 17.2105 k = 0.0000 0.2111-0.0000 ( 1595 PWs) bands (ev): 4.9704 4.9704 8.8449 8.8449 9.1521 9.1521 9.2085 9.2085 9.6778 9.6778 9.6967 9.6967 9.7036 9.7036 11.1534 11.1534 11.4745 11.4745 11.5779 11.5779 12.2773 12.2773 12.3739 12.3739 12.3785 12.3785 12.5348 12.5348 12.7796 12.7796 13.2005 13.2005 13.2841 13.2841 13.3253 13.3253 13.3763 13.3763 13.4776 13.4776 13.8623 13.8623 13.9154 13.9154 17.3368 17.3368 k = 0.0000 0.2222-0.0000 ( 1595 PWs) bands (ev): 5.0307 5.0307 8.8338 8.8338 9.1823 9.1823 9.2354 9.2354 9.6977 9.6977 9.7177 9.7177 9.7253 9.7253 11.1325 11.1325 11.4883 11.4883 11.5912 11.5912 12.2574 12.2574 12.3042 12.3042 12.3097 12.3097 12.5388 12.5388 12.7582 12.7582 13.1597 13.1597 13.2651 13.2651 13.2924 13.2924 13.3474 13.3474 13.4604 13.4604 13.7576 13.7576 13.9147 13.9147 17.4654 17.4654 k = 0.0000 0.2333-0.0000 ( 1582 PWs) bands (ev): 5.0938 5.0938 8.8202 8.8202 9.2135 9.2135 9.2632 9.2632 9.7185 9.7185 9.7403 9.7403 9.7487 9.7487 11.1107 11.1107 11.5021 11.5021 11.6045 11.6045 12.2327 12.2327 12.2394 12.2394 12.2414 12.2414 12.5433 12.5433 12.7362 12.7362 13.0992 13.0992 13.2542 13.2542 13.2610 13.2610 13.3171 13.3171 13.4443 13.4443 13.6651 13.6651 13.9142 13.9142 17.5961 17.5961 k = 0.0000 0.2444-0.0000 ( 1582 PWs) bands (ev): 5.1597 5.1597 8.8036 8.8036 9.2455 9.2455 9.2917 9.2917 9.7399 9.7399 9.7637 9.7637 9.7727 9.7727 11.0879 11.0879 11.5156 11.5156 11.6172 11.6172 12.1660 12.1660 12.1740 12.1740 12.2163 12.2163 12.5476 12.5476 12.7137 12.7137 13.0246 13.0246 13.2243 13.2243 13.2524 13.2524 13.2857 13.2857 13.4288 13.4288 13.5856 13.5856 13.9136 13.9136 17.7287 17.7287 k = 0.0000 0.2556-0.0000 ( 1582 PWs) bands (ev): 5.2284 5.2284 8.7838 8.7838 9.2781 9.2781 9.3208 9.3208 9.7621 9.7621 9.7882 9.7882 9.7978 9.7978 11.0643 11.0643 11.5285 11.5285 11.6287 11.6287 12.0987 12.0987 12.1088 12.1088 12.1946 12.1946 12.5512 12.5512 12.6912 12.6912 12.9399 12.9399 13.1903 13.1903 13.2493 13.2493 13.2534 13.2534 13.4140 13.4140 13.5182 13.5182 13.9131 13.9131 17.8631 17.8631 k = 0.0000 0.2667-0.0000 ( 1582 PWs) bands (ev): 5.2997 5.2997 8.7606 8.7606 9.3114 9.3114 9.3503 9.3503 9.7850 9.7850 9.8139 9.8139 9.8241 9.8241 11.0398 11.0398 11.5400 11.5400 11.6378 11.6378 12.0335 12.0335 12.0470 12.0470 12.1724 12.1724 12.5536 12.5536 12.6694 12.6694 12.8487 12.8487 13.1558 13.1558 13.2206 13.2206 13.2470 13.2470 13.3996 13.3996 13.4611 13.4611 13.9125 13.9125 17.9996 18.0024 k = 0.0000 0.2778-0.0000 ( 1566 PWs) bands (ev): 5.3737 5.3737 8.7335 8.7335 9.3451 9.3451 9.3802 9.3802 9.8090 9.8090 9.8410 9.8410 9.8517 9.8517 11.0146 11.0146 11.5491 11.5491 11.6426 11.6426 11.9716 11.9716 11.9909 11.9909 12.1498 12.1498 12.5533 12.5533 12.6500 12.6500 12.7545 12.7545 13.1216 13.1216 13.1877 13.1877 13.2449 13.2449 13.3857 13.3857 13.4125 13.4125 13.9119 13.9119 18.1374 18.1374 k = 0.0000 0.2889-0.0000 ( 1566 PWs) bands (ev): 5.4503 5.4503 8.7023 8.7023 9.3790 9.3790 9.4102 9.4102 9.8333 9.8333 9.8691 9.8691 9.8802 9.8802 10.9886 10.9886 11.5541 11.5541 11.6397 11.6397 11.9142 11.9142 11.9434 11.9434 12.1268 12.1268 12.5483 12.5483 12.6346 12.6346 12.6599 12.6599 13.0867 13.0867 13.1539 13.1539 13.2425 13.2425 13.3702 13.3702 13.3722 13.3722 13.9114 13.9114 18.2769 18.2771 k = 0.0000 0.3000-0.0000 ( 1574 PWs) bands (ev): 5.5294 5.5294 8.6668 8.6668 9.4130 9.4130 9.4400 9.4400 9.8582 9.8582 9.8983 9.8983 9.9099 9.9099 10.9619 10.9619 11.5523 11.5523 11.6253 11.6253 11.8639 11.8639 11.9086 11.9086 12.1036 12.1036 12.5365 12.5365 12.5673 12.5673 12.6255 12.6255 13.0518 13.0518 13.1199 13.1199 13.2389 13.2389 13.3334 13.3334 13.3590 13.3590 13.9106 13.9106 18.4181 18.4182 k = 0.0000 0.3111-0.0000 ( 1574 PWs) bands (ev): 5.6110 5.6110 8.6266 8.6266 9.4471 9.4471 9.4698 9.4698 9.8838 9.8838 9.9287 9.9287 9.9408 9.9408 10.9345 10.9345 11.5403 11.5403 11.5970 11.5970 11.8245 11.8245 11.8893 11.8893 12.0803 12.0803 12.4785 12.4785 12.5183 12.5183 12.6225 12.6225 13.0169 13.0169 13.0857 13.0857 13.2330 13.2330 13.3024 13.3024 13.3462 13.3462 13.9101 13.9101 18.5607 18.5607 k = 0.0000 0.3222-0.0000 ( 1582 PWs) bands (ev): 5.6949 5.6949 8.5816 8.5816 9.4810 9.4810 9.4994 9.4994 9.9100 9.9100 9.9602 9.9602 9.9728 9.9728 10.9064 10.9064 11.5153 11.5153 11.5558 11.5558 11.7976 11.7976 11.8835 11.8835 12.0568 12.0568 12.3949 12.3949 12.4960 12.4960 12.6235 12.6235 12.9820 12.9820 13.0514 13.0514 13.2219 13.2219 13.2795 13.2795 13.3338 13.3338 13.9096 13.9096 18.7048 18.7050 k = 0.0000 0.3333-0.0000 ( 1582 PWs) bands (ev): 5.7811 5.7811 8.5317 8.5317 9.5145 9.5145 9.5285 9.5285 9.9367 9.9367 9.9929 9.9929 10.0060 10.0060 10.8779 10.8779 11.4780 11.4780 11.5060 11.5060 11.7831 11.7831 11.8883 11.8883 12.0341 12.0341 12.3177 12.3177 12.4714 12.4714 12.6267 12.6267 12.9474 12.9474 13.0172 13.0172 13.2034 13.2034 13.2662 13.2662 13.3219 13.3219 13.9092 13.9092 18.8504 18.8505 k = 0.0000 0.3444-0.0000 ( 1582 PWs) bands (ev): 5.8696 5.8696 8.4766 8.4766 9.5474 9.5474 9.5570 9.5570 9.9641 9.9641 10.0267 10.0267 10.0404 10.0404 10.8489 10.8489 11.4313 11.4313 11.4510 11.4510 11.7768 11.7768 11.8996 11.8996 12.0126 12.0126 12.2477 12.2477 12.4458 12.4458 12.6310 12.6310 12.9130 12.9130 12.9832 12.9832 13.1800 13.1800 13.2597 13.2597 13.3105 13.3105 13.9087 13.9087 18.9973 18.9991 k = 0.0000 0.3556-0.0000 ( 1586 PWs) bands (ev): 5.9601 5.9601 8.4163 8.4163 9.5796 9.5796 9.5846 9.5846 9.9919 9.9919 10.0617 10.0617 10.0759 10.0759 10.8194 10.8194 11.3786 11.3786 11.3932 11.3932 11.7739 11.7739 11.9150 11.9150 11.9934 11.9934 12.1853 12.1853 12.4199 12.4199 12.6360 12.6360 12.8790 12.8790 12.9494 12.9494 13.1552 13.1552 13.2563 13.2563 13.2995 13.2995 13.9083 13.9083 19.1456 19.1459 k = 0.0000 0.3667-0.0000 ( 1578 PWs) bands (ev): 6.0525 6.0525 8.3512 8.3512 9.6107 9.6107 9.6112 9.6112 10.0202 10.0202 10.0980 10.0980 10.1128 10.1128 10.7895 10.7895 11.3227 11.3227 11.3342 11.3342 11.7705 11.7705 11.9330 11.9330 11.9778 11.9778 12.1313 12.1313 12.3942 12.3942 12.6412 12.6412 12.8456 12.8456 12.9161 12.9161 13.1308 13.1308 13.2546 13.2546 13.2892 13.2892 13.9082 13.9082 19.2953 19.2954 k = 0.0000 0.3778-0.0000 ( 1578 PWs) bands (ev): 6.1469 6.1469 8.2811 8.2811 9.6366 9.6366 9.6406 9.6406 10.0489 10.0489 10.1350 10.1350 10.1506 10.1506 10.7593 10.7593 11.2651 11.2651 11.2747 11.2747 11.7635 11.7635 11.9525 11.9525 11.9675 11.9675 12.0854 12.0854 12.3691 12.3691 12.6465 12.6465 12.8130 12.8130 12.8835 12.8835 13.1073 13.1073 13.2534 13.2534 13.2794 13.2794 13.9078 13.9078 19.4463 19.4476 k = 0.0000 0.3889-0.0000 ( 1578 PWs) bands (ev): 6.2430 6.2430 8.2064 8.2064 9.6606 9.6606 9.6691 9.6691 10.0780 10.0780 10.1732 10.1732 10.1895 10.1895 10.7287 10.7287 11.2067 11.2067 11.2153 11.2153 11.7517 11.7517 11.9628 11.9628 11.9729 11.9729 12.0476 12.0476 12.3448 12.3448 12.6516 12.6516 12.7813 12.7813 12.8518 12.8518 13.0851 13.0851 13.2525 13.2525 13.2702 13.2702 13.9075 13.9075 19.5984 19.5999 k = 0.0000 0.4000-0.0000 ( 1578 PWs) bands (ev): 6.3406 6.3406 8.1272 8.1272 9.6830 9.6830 9.6958 9.6958 10.1074 10.1074 10.2123 10.2123 10.2295 10.2295 10.6980 10.6980 11.1482 11.1482 11.1564 11.1564 11.7357 11.7357 11.9615 11.9615 11.9937 11.9937 12.0188 12.0188 12.3218 12.3218 12.6565 12.6565 12.7507 12.7507 12.8211 12.8211 13.0645 13.0645 13.2519 13.2519 13.2618 13.2618 13.9072 13.9072 19.7519 19.7524 k = 0.0000 0.4111-0.0000 ( 1578 PWs) bands (ev): 6.4396 6.4396 8.0439 8.0439 9.7036 9.7036 9.7205 9.7205 10.1370 10.1370 10.2523 10.2523 10.2706 10.2706 10.6672 10.6672 11.0901 11.0901 11.0984 11.0984 11.7173 11.7173 11.9568 11.9568 12.0031 12.0031 12.0145 12.0145 12.3003 12.3003 12.6611 12.6611 12.7215 12.7215 12.7917 12.7917 13.0456 13.0456 13.2514 13.2514 13.2540 13.2540 13.9069 13.9069 19.9062 19.9064 k = 0.0000 0.4222-0.0000 ( 1582 PWs) bands (ev): 6.5399 6.5399 7.9569 7.9569 9.7223 9.7223 9.7430 9.7430 10.1667 10.1667 10.2929 10.2929 10.3127 10.3127 10.6364 10.6364 11.0325 11.0325 11.0415 11.0415 11.6985 11.6985 11.9435 11.9435 12.0034 12.0034 12.0348 12.0348 12.2804 12.2804 12.6653 12.6653 12.6940 12.6940 12.7642 12.7642 13.0284 13.0284 13.2470 13.2470 13.2510 13.2510 13.9067 13.9067 20.0618 20.0619 k = 0.0000 0.4333-0.0000 ( 1582 PWs) bands (ev): 6.6411 6.6411 7.8666 7.8666 9.7389 9.7389 9.7631 9.7631 10.1965 10.1965 10.3342 10.3342 10.3559 10.3559 10.6058 10.6058 10.9757 10.9757 10.9859 10.9859 11.6807 11.6807 11.9273 11.9273 12.0120 12.0120 12.0541 12.0541 12.2627 12.2627 12.6686 12.6686 12.6688 12.6688 12.7388 12.7388 13.0134 13.0134 13.2409 13.2409 13.2508 13.2508 13.9065 13.9065 20.2187 20.2190 k = 0.0000 0.4444-0.0000 ( 1582 PWs) bands (ev): 6.7430 6.7430 7.7736 7.7736 9.7532 9.7532 9.7806 9.7806 10.2259 10.2259 10.3758 10.3758 10.4000 10.4000 10.5756 10.5756 10.9200 10.9200 10.9322 10.9322 11.6648 11.6648 11.9123 11.9123 12.0231 12.0231 12.0720 12.0720 12.2473 12.2473 12.6458 12.6458 12.6714 12.6714 12.7164 12.7164 13.0004 13.0004 13.2356 13.2356 13.2505 13.2505 13.9063 13.9063 20.3764 20.3765 k = 0.0000 0.4556-0.0000 ( 1582 PWs) bands (ev): 6.8451 6.8451 7.6783 7.6783 9.7651 9.7651 9.7952 9.7952 10.2547 10.2547 10.4171 10.4171 10.4450 10.4450 10.5463 10.5463 10.8655 10.8655 10.8808 10.8808 11.6515 11.6515 11.8996 11.8996 12.0343 12.0343 12.0878 12.0878 12.2344 12.2344 12.6260 12.6260 12.6722 12.6722 12.6983 12.6983 12.9897 12.9897 13.2312 13.2312 13.2504 13.2504 13.9061 13.9061 20.5352 20.5357 k = 0.0000 0.4667-0.0000 ( 1590 PWs) bands (ev): 6.9470 6.9470 7.5816 7.5816 9.7745 9.7745 9.8067 9.8067 10.2811 10.2811 10.4566 10.4566 10.4903 10.4903 10.5188 10.5188 10.8127 10.8127 10.8330 10.8330 11.6408 11.6408 11.8895 11.8895 12.0442 12.0442 12.1010 12.1010 12.2241 12.2241 12.6098 12.6098 12.6682 12.6682 12.6879 12.6879 12.9812 12.9812 13.2276 13.2276 13.2503 13.2503 13.9060 13.9060 20.6948 20.6949 k = 0.0000 0.4778-0.0000 ( 1590 PWs) bands (ev): 7.0470 7.0470 7.4852 7.4852 9.7813 9.7813 9.8150 9.8150 10.3057 10.3057 10.4857 10.4857 10.5012 10.5012 10.5350 10.5350 10.7626 10.7626 10.7911 10.7911 11.6333 11.6333 11.8823 11.8823 12.0520 12.0520 12.1109 12.1109 12.2167 12.2167 12.5977 12.5977 12.6601 12.6601 12.6852 12.6852 12.9751 12.9751 13.2251 13.2251 13.2502 13.2502 13.9059 13.9059 20.8548 20.8548 k = 0.0000 0.4889-0.0000 ( 1602 PWs) bands (ev): 7.1402 7.1402 7.3940 7.3940 9.7854 9.7854 9.8201 9.8201 10.3238 10.3238 10.4726 10.4726 10.5232 10.5232 10.5757 10.5757 10.7186 10.7186 10.7598 10.7598 11.6285 11.6285 11.8778 11.8778 12.0569 12.0569 12.1171 12.1171 12.2122 12.2122 12.5902 12.5902 12.6535 12.6535 12.6845 12.6845 12.9713 12.9713 13.2231 13.2231 13.2501 13.2501 13.9059 13.9059 21.0132 21.0132 k = 0.0000 0.5000-0.0000 ( 1622 PWs) bands (ev): 7.1937 7.1937 7.3412 7.3412 9.7868 9.7868 9.8218 9.8218 10.3309 10.3309 10.4652 10.4652 10.5339 10.5339 10.5966 10.5966 10.6966 10.6966 10.7475 10.7475 11.6266 11.6266 11.8760 11.8760 12.0580 12.0580 12.1186 12.1186 12.2107 12.2107 12.5871 12.5871 12.6507 12.6507 12.6843 12.6843 12.9700 12.9700 13.2224 13.2224 13.2501 13.2501 13.9058 13.9058 21.1327 21.1327 k = 0.0000 0.5000-0.0000 ( 1622 PWs) bands (ev): 7.1937 7.1937 7.3412 7.3412 9.7868 9.7868 9.8218 9.8218 10.3309 10.3309 10.4652 10.4652 10.5339 10.5339 10.5966 10.5966 10.6966 10.6966 10.7475 10.7475 11.6266 11.6266 11.8760 11.8760 12.0580 12.0580 12.1186 12.1186 12.2107 12.2107 12.5871 12.5871 12.6507 12.6507 12.6843 12.6843 12.9700 12.9700 13.2224 13.2224 13.2501 13.2501 13.9058 13.9058 21.1327 21.1327 k = 0.0111 0.5000-0.0000 ( 1590 PWs) bands (ev): 7.1950 7.1950 7.3426 7.3426 9.7875 9.7875 9.8225 9.8225 10.3323 10.3323 10.4664 10.4664 10.5337 10.5337 10.5964 10.5964 10.6962 10.6962 10.7472 10.7472 11.6261 11.6261 11.8722 11.8722 12.0607 12.0607 12.1209 12.1209 12.2108 12.2108 12.5847 12.5847 12.6451 12.6451 12.6948 12.6948 12.9705 12.9705 13.2230 13.2230 13.2496 13.2496 13.9047 13.9047 21.1203 21.1203 k = 0.0222 0.5000-0.0000 ( 1582 PWs) bands (ev): 7.1988 7.1988 7.3465 7.3465 9.7895 9.7895 9.8247 9.8247 10.3330 10.3330 10.4669 10.4669 10.5330 10.5330 10.5957 10.5957 10.6950 10.6950 10.7460 10.7460 11.6232 11.6232 11.8604 11.8604 12.0661 12.0661 12.1266 12.1266 12.2109 12.2109 12.5763 12.5763 12.6362 12.6362 12.7153 12.7153 12.9717 12.9717 13.2233 13.2233 13.2479 13.2479 13.9011 13.9011 21.0702 21.0703 k = 0.0333 0.5000-0.0000 ( 1582 PWs) bands (ev): 7.2051 7.2051 7.3530 7.3530 9.7928 9.7928 9.8284 9.8284 10.3340 10.3340 10.4675 10.4675 10.5317 10.5317 10.5946 10.5946 10.6928 10.6928 10.7442 10.7442 11.6180 11.6180 11.8427 11.8427 12.0721 12.0721 12.1366 12.1366 12.2111 12.2111 12.5634 12.5634 12.6294 12.6294 12.7395 12.7395 12.9736 12.9736 13.2236 13.2236 13.2451 13.2451 13.8953 13.8953 20.9734 20.9734 k = 0.0444 0.5000-0.0000 ( 1582 PWs) bands (ev): 7.2140 7.2140 7.3621 7.3621 9.7975 9.7975 9.8335 9.8335 10.3356 10.3356 10.4685 10.4685 10.5297 10.5297 10.5933 10.5933 10.6895 10.6895 10.7421 10.7421 11.6108 11.6108 11.8212 11.8212 12.0769 12.0769 12.1507 12.1507 12.2114 12.2114 12.5479 12.5479 12.6246 12.6246 12.7659 12.7659 12.9762 12.9762 13.2241 13.2241 13.2412 13.2412 13.8871 13.8871 20.8418 20.8418 k = 0.0556 0.5000-0.0000 ( 1582 PWs) bands (ev): 7.2253 7.2253 7.3737 7.3737 9.8034 9.8034 9.8401 9.8401 10.3375 10.3375 10.4697 10.4697 10.5268 10.5268 10.5920 10.5920 10.6847 10.6847 10.7399 10.7399 11.6017 11.6017 11.7973 11.7973 12.0803 12.0803 12.1678 12.1678 12.2117 12.2117 12.5311 12.5311 12.6206 12.6206 12.7942 12.7942 12.9795 12.9795 13.2246 13.2246 13.2366 13.2366 13.8767 13.8767 20.6875 20.6876 k = 0.0667 0.5000-0.0000 ( 1582 PWs) bands (ev): 7.2391 7.2391 7.3879 7.3879 9.8106 9.8106 9.8481 9.8481 10.3399 10.3399 10.4712 10.4712 10.5228 10.5228 10.5909 10.5909 10.6782 10.6782 10.7379 10.7379 11.5910 11.5910 11.7719 11.7719 12.0827 12.0827 12.1864 12.1864 12.2121 12.2121 12.5139 12.5139 12.6170 12.6170 12.8239 12.8239 12.9834 12.9834 13.2243 13.2243 13.2324 13.2324 13.8641 13.8641 20.5184 20.5184 k = 0.0778 0.5000-0.0000 ( 1584 PWs) bands (ev): 7.2554 7.2554 7.4047 7.4047 9.8191 9.8191 9.8573 9.8573 10.3427 10.3427 10.4729 10.4729 10.5176 10.5176 10.5902 10.5902 10.6700 10.6700 10.7364 10.7364 11.5786 11.5786 11.7456 11.7456 12.0844 12.0844 12.2050 12.2050 12.2128 12.2128 12.4965 12.4965 12.6133 12.6133 12.8548 12.8548 12.9878 12.9878 13.2202 13.2202 13.2317 13.2317 13.8493 13.8493 20.3395 20.3395 k = 0.0889 0.5000-0.0000 ( 1580 PWs) bands (ev): 7.2742 7.2742 7.4240 7.4240 9.8288 9.8288 9.8681 9.8681 10.3459 10.3459 10.4748 10.4748 10.5111 10.5111 10.5900 10.5900 10.6601 10.6601 10.7353 10.7353 11.5648 11.5648 11.7189 11.7189 12.0859 12.0859 12.2118 12.2118 12.2252 12.2252 12.4790 12.4790 12.6094 12.6094 12.8865 12.8865 12.9930 12.9930 13.2130 13.2130 13.2343 13.2343 13.8326 13.8326 20.1544 20.1544 k = 0.1000 0.5000-0.0000 ( 1584 PWs) bands (ev): 7.2954 7.2954 7.4457 7.4457 9.8397 9.8397 9.8801 9.8801 10.3495 10.3495 10.4768 10.4768 10.5031 10.5031 10.5902 10.5902 10.6483 10.6483 10.7347 10.7347 11.5498 11.5498 11.6919 11.6919 12.0871 12.0871 12.2120 12.2120 12.2430 12.2430 12.4616 12.4616 12.6052 12.6052 12.9182 12.9182 12.9992 12.9992 13.2040 13.2040 13.2388 13.2388 13.8137 13.8137 19.9657 19.9657 k = 0.1111 0.5000-0.0000 ( 1584 PWs) bands (ev): 7.3190 7.3190 7.4700 7.4700 9.8517 9.8517 9.8933 9.8933 10.3535 10.3535 10.4788 10.4788 10.4941 10.4941 10.5909 10.5909 10.6354 10.6354 10.7345 10.7345 11.5337 11.5337 11.6650 11.6650 12.0883 12.0883 12.2118 12.2118 12.2598 12.2598 12.4441 12.4441 12.6006 12.6006 12.9481 12.9481 13.0082 13.0082 13.1944 13.1944 13.2452 13.2452 13.7931 13.7931 19.7749 19.7750 k = 0.1222 0.5000-0.0000 ( 1588 PWs) bands (ev): 7.3451 7.3451 7.4966 7.4966 9.8647 9.8647 9.9076 9.9076 10.3580 10.3580 10.4786 10.4786 10.4861 10.4861 10.5911 10.5911 10.6217 10.6217 10.7345 10.7345 11.5167 11.5167 11.6382 11.6382 12.0895 12.0895 12.2113 12.2113 12.2749 12.2749 12.4267 12.4267 12.5956 12.5956 12.9713 12.9713 13.0244 13.0244 13.1838 13.1838 13.2535 13.2535 13.7706 13.7706 19.5836 19.5836 k = 0.1333 0.5000-0.0000 ( 1588 PWs) bands (ev): 7.3734 7.3734 7.5257 7.5257 9.8787 9.8787 9.9231 9.9231 10.3627 10.3627 10.4697 10.4697 10.4860 10.4860 10.5887 10.5887 10.6101 10.6101 10.7350 10.7350 11.4990 11.4990 11.6117 11.6117 12.0908 12.0908 12.2104 12.2104 12.2881 12.2881 12.4092 12.4092 12.5903 12.5903 12.9840 12.9840 13.0513 13.0513 13.1726 13.1726 13.2641 13.2641 13.7466 13.7466 19.3925 19.3925 k = 0.1444 0.5000-0.0000 ( 1584 PWs) bands (ev): 7.4041 7.4041 7.5571 7.5571 9.8936 9.8936 9.9395 9.9395 10.3679 10.3679 10.4574 10.4574 10.4884 10.4884 10.5784 10.5784 10.6059 10.6059 10.7357 10.7357 11.4808 11.4808 11.5856 11.5856 12.0922 12.0922 12.2091 12.2091 12.2990 12.2990 12.3921 12.3921 12.5844 12.5844 12.9896 12.9896 13.0853 13.0853 13.1609 13.1609 13.2773 13.2773 13.7211 13.7211 19.2024 19.2024 k = 0.1556 0.5000-0.0000 ( 1584 PWs) bands (ev): 7.4371 7.4371 7.5908 7.5908 9.9093 9.9093 9.9567 9.9567 10.3734 10.3734 10.4440 10.4440 10.4912 10.4912 10.5622 10.5622 10.6071 10.6071 10.7366 10.7366 11.4622 11.4622 11.5599 11.5599 12.0938 12.0938 12.2072 12.2072 12.3070 12.3070 12.3752 12.3752 12.5782 12.5782 12.9915 12.9915 13.1226 13.1226 13.1488 13.1488 13.2930 13.2930 13.6941 13.6941 19.0139 19.0139 k = 0.1667 0.5000-0.0000 ( 1588 PWs) bands (ev): 7.4723 7.4723 7.6268 7.6268 9.9256 9.9256 9.9745 9.9745 10.3790 10.3790 10.4300 10.4300 10.4939 10.4939 10.5438 10.5438 10.6102 10.6102 10.7376 10.7376 11.4432 11.4432 11.5347 11.5347 12.0955 12.0955 12.2047 12.2047 12.3111 12.3111 12.3595 12.3595 12.5715 12.5715 12.9912 12.9912 13.1357 13.1357 13.1624 13.1624 13.3114 13.3114 13.6658 13.6658 18.8275 18.8275 k = 0.1778 0.5000-0.0000 ( 1582 PWs) bands (ev): 7.5098 7.5098 7.6650 7.6650 9.9425 9.9425 9.9928 9.9928 10.3851 10.3851 10.4158 10.4158 10.4966 10.4966 10.5249 10.5249 10.6142 10.6142 10.7388 10.7388 11.4241 11.4241 11.5101 11.5101 12.0975 12.0975 12.2016 12.2016 12.3092 12.3092 12.3472 12.3472 12.5644 12.5644 12.9893 12.9893 13.1231 13.1231 13.2029 13.2029 13.3325 13.3325 13.6366 13.6366 18.6435 18.6435 k = 0.1889 0.5000-0.0000 ( 1582 PWs) bands (ev): 7.5494 7.5494 7.7053 7.7053 9.9594 9.9594 10.0111 10.0111 10.3912 10.3912 10.4017 10.4017 10.4959 10.4959 10.5087 10.5087 10.6186 10.6186 10.7400 10.7400 11.4050 11.4050 11.4861 11.4861 12.0996 12.0996 12.1977 12.1977 12.2992 12.2992 12.3400 12.3400 12.5568 12.5568 12.9859 12.9859 13.1100 13.1100 13.2445 13.2445 13.3561 13.3561 13.6062 13.6062 18.4623 18.4623 k = 0.2000 0.5000-0.0000 ( 1586 PWs) bands (ev): 7.5910 7.5910 7.7477 7.7477 9.9763 9.9763 10.0290 10.0290 10.3866 10.3866 10.3990 10.3990 10.4811 10.4811 10.5066 10.5066 10.6234 10.6234 10.7412 10.7412 11.3860 11.3860 11.4627 11.4627 12.1020 12.1020 12.1929 12.1929 12.2836 12.2836 12.3358 12.3358 12.5488 12.5488 12.9813 12.9813 13.0967 13.0967 13.2869 13.2869 13.3821 13.3821 13.5748 13.5748 18.2841 18.2841 k = 0.2111 0.5000-0.0000 ( 1582 PWs) bands (ev): 7.6348 7.6348 7.7921 7.7921 9.9926 9.9926 10.0459 10.0459 10.3739 10.3739 10.4059 10.4059 10.4619 10.4619 10.5096 10.5096 10.6287 10.6287 10.7425 10.7425 11.3673 11.3673 11.4400 11.4400 12.1046 12.1046 12.1871 12.1871 12.2654 12.2654 12.3315 12.3315 12.5404 12.5404 12.9756 12.9756 13.0834 13.0834 13.3302 13.3302 13.4106 13.4106 13.5428 13.5428 18.1091 18.1091 k = 0.2222 0.5000-0.0000 ( 1586 PWs) bands (ev): 7.6805 7.6805 7.8384 7.8384 10.0077 10.0077 10.0608 10.0608 10.3627 10.3627 10.4129 10.4129 10.4430 10.4430 10.5130 10.5130 10.6341 10.6341 10.7439 10.7439 11.3488 11.3488 11.4181 11.4181 12.1074 12.1074 12.1804 12.1804 12.2459 12.2459 12.3257 12.3257 12.5316 12.5316 12.9690 12.9690 13.0702 13.0702 13.3742 13.3742 13.4411 13.4411 13.5101 13.5101 17.9375 17.9375 k = 0.2333 0.5000-0.0000 ( 1586 PWs) bands (ev): 7.7281 7.7281 7.8866 7.8866 10.0210 10.0210 10.0729 10.0729 10.3543 10.3543 10.4185 10.4185 10.4274 10.4274 10.5165 10.5165 10.6398 10.6398 10.7452 10.7452 11.3306 11.3306 11.3969 11.3969 12.1105 12.1105 12.1726 12.1726 12.2258 12.2258 12.3181 12.3181 12.5225 12.5225 12.9615 12.9615 13.0571 13.0571 13.4185 13.4185 13.4712 13.4712 13.4798 13.4798 17.7695 17.7695 k = 0.2444 0.5000-0.0000 ( 1586 PWs) bands (ev): 7.7776 7.7776 7.9365 7.9365 10.0317 10.0317 10.0807 10.0807 10.3501 10.3501 10.4087 10.4087 10.4297 10.4297 10.5202 10.5202 10.6457 10.6457 10.7465 10.7465 11.3128 11.3128 11.3765 11.3765 12.1137 12.1137 12.1637 12.1637 12.2054 12.2054 12.3086 12.3086 12.5130 12.5130 12.9533 12.9533 13.0443 13.0443 13.4400 13.4400 13.4669 13.4669 13.5087 13.5087 17.6054 17.6054 k = 0.2556 0.5000-0.0000 ( 1582 PWs) bands (ev): 7.8288 7.8288 7.9881 7.9881 10.0385 10.0385 10.0832 10.0832 10.3512 10.3512 10.3976 10.3976 10.4371 10.4371 10.5237 10.5237 10.6516 10.6516 10.7477 10.7477 11.2955 11.2955 11.3570 11.3570 12.1170 12.1170 12.1535 12.1535 12.1850 12.1850 12.2972 12.2972 12.5033 12.5033 12.9445 12.9445 13.0317 13.0317 13.4077 13.4077 13.5114 13.5114 13.5448 13.5448 17.4451 17.4451 k = 0.2667 0.5000-0.0000 ( 1586 PWs) bands (ev): 7.8818 7.8818 8.0413 8.0413 10.0401 10.0401 10.0795 10.0795 10.3576 10.3576 10.3905 10.3905 10.4451 10.4451 10.5275 10.5275 10.6578 10.6578 10.7490 10.7490 11.2785 11.2785 11.3382 11.3382 12.1197 12.1197 12.1419 12.1419 12.1654 12.1654 12.2839 12.2839 12.4932 12.4932 12.9351 12.9351 13.0195 13.0195 13.3738 13.3738 13.5578 13.5578 13.5826 13.5826 17.2889 17.2889 k = 0.2778 0.5000-0.0000 ( 1586 PWs) bands (ev): 7.9363 7.9363 8.0960 8.0960 10.0360 10.0360 10.0699 10.0699 10.3695 10.3695 10.3888 10.3888 10.4534 10.4534 10.5314 10.5314 10.6640 10.6640 10.7501 10.7501 11.2620 11.2620 11.3203 11.3203 12.1183 12.1183 12.1317 12.1317 12.1475 12.1475 12.2691 12.2691 12.4830 12.4830 12.9252 12.9252 13.0077 13.0077 13.3397 13.3397 13.6049 13.6049 13.6219 13.6219 17.1368 17.1368 k = 0.2889 0.5000-0.0000 ( 1590 PWs) bands (ev): 7.9924 7.9924 8.1520 8.1520 10.0256 10.0256 10.0550 10.0550 10.3856 10.3856 10.3931 10.3931 10.4618 10.4618 10.5353 10.5353 10.6702 10.6702 10.7512 10.7512 11.2459 11.2459 11.3031 11.3031 12.1045 12.1045 12.1272 12.1272 12.1350 12.1350 12.2529 12.2529 12.4726 12.4726 12.9148 12.9148 12.9963 12.9963 13.3057 13.3057 13.6524 13.6524 13.6625 13.6625 16.9890 16.9890 k = 0.3000 0.5000-0.0000 ( 1586 PWs) bands (ev): 8.0499 8.0499 8.2092 8.2092 10.0091 10.0091 10.0356 10.0356 10.4009 10.4009 10.4077 10.4077 10.4705 10.4705 10.5393 10.5393 10.6764 10.6764 10.7523 10.7523 11.2303 11.2303 11.2868 11.2868 12.0853 12.0853 12.1141 12.1141 12.1352 12.1352 12.2360 12.2360 12.4621 12.4621 12.9041 12.9041 12.9854 12.9854 13.2721 13.2721 13.7005 13.7005 13.7047 13.7047 16.8456 16.8456 k = 0.3111 0.5000-0.0000 ( 1588 PWs) bands (ev): 8.1087 8.1087 8.2676 8.2676 9.9872 9.9872 10.0125 10.0125 10.4153 10.4153 10.4295 10.4295 10.4794 10.4794 10.5436 10.5436 10.6826 10.6826 10.7532 10.7532 11.2150 11.2150 11.2714 11.2714 12.0647 12.0647 12.0993 12.0993 12.1369 12.1369 12.2191 12.2191 12.4515 12.4515 12.8932 12.8932 12.9750 12.9750 13.2387 13.2387 13.7471 13.7471 13.7502 13.7502 16.7075 16.7076 k = 0.3222 0.5000-0.0000 ( 1588 PWs) bands (ev): 8.1688 8.1688 8.3269 8.3269 9.9605 9.9605 9.9864 9.9864 10.4331 10.4331 10.4530 10.4530 10.4887 10.4887 10.5484 10.5484 10.6887 10.6887 10.7541 10.7541 11.2001 11.2001 11.2569 11.2569 12.0436 12.0436 12.0841 12.0841 12.1363 12.1363 12.2039 12.2039 12.4411 12.4411 12.8820 12.8820 12.9651 12.9651 13.2059 13.2059 13.7918 13.7918 13.7992 13.7992 16.5653 16.5653 k = 0.3333 0.5000-0.0000 ( 1586 PWs) bands (ev): 8.2299 8.2299 8.3871 8.3871 9.9298 9.9298 9.9578 9.9578 10.4537 10.4537 10.4757 10.4757 10.4994 10.4994 10.5541 10.5541 10.6946 10.6946 10.7549 10.7549 11.1855 11.1855 11.2433 11.2433 12.0226 12.0226 12.0685 12.0685 12.1305 12.1305 12.1933 12.1933 12.4307 12.4307 12.8707 12.8707 12.9558 12.9558 13.1737 13.1737 13.8374 13.8374 13.8489 13.8489 16.4276 16.4276 k = 0.3444 0.5000-0.0000 ( 1588 PWs) bands (ev): 8.2920 8.2920 8.4479 8.4479 9.8956 9.8956 9.9271 9.9271 10.4761 10.4761 10.4939 10.4939 10.5137 10.5137 10.5619 10.5619 10.7004 10.7004 10.7556 10.7556 11.1710 11.1710 11.2304 11.2304 12.0018 12.0018 12.0524 12.0524 12.1177 12.1177 12.1892 12.1892 12.4205 12.4205 12.8594 12.8594 12.9469 12.9469 13.1424 13.1424 13.8841 13.8841 13.8992 13.8992 16.2945 16.2945 k = 0.3556 0.5000-0.0000 ( 1592 PWs) bands (ev): 8.3550 8.3550 8.5092 8.5092 9.8584 9.8584 9.8945 9.8945 10.4988 10.4988 10.5062 10.5062 10.5306 10.5306 10.5741 10.5741 10.7060 10.7060 10.7563 10.7563 11.1566 11.1566 11.2185 11.2185 11.9815 11.9815 12.0361 12.0361 12.0994 12.0994 12.1903 12.1903 12.4105 12.4105 12.8481 12.8481 12.9386 12.9386 13.1120 13.1120 13.9317 13.9317 13.9499 13.9499 16.1662 16.1662 k = 0.3667 0.5000-0.0000 ( 1592 PWs) bands (ev): 8.4187 8.4187 8.5709 8.5709 9.8185 9.8185 9.8602 9.8602 10.5141 10.5141 10.5216 10.5216 10.5466 10.5466 10.5926 10.5926 10.7115 10.7115 10.7569 10.7569 11.1423 11.1423 11.2074 11.2074 11.9621 11.9621 12.0196 12.0196 12.0782 12.0782 12.1943 12.1943 12.4010 12.4010 12.8369 12.8369 12.9309 12.9309 13.0828 13.0828 13.9803 13.9803 14.0010 14.0010 16.0428 16.0428 k = 0.3778 0.5000-0.0000 ( 1592 PWs) bands (ev): 8.4831 8.4831 8.6328 8.6328 9.7762 9.7762 9.8242 9.8242 10.5226 10.5226 10.5365 10.5365 10.5651 10.5651 10.6159 10.6159 10.7168 10.7168 10.7575 10.7575 11.1280 11.1280 11.1971 11.1971 11.9435 11.9435 12.0032 12.0032 12.0556 12.0556 12.1998 12.1998 12.3918 12.3918 12.8260 12.8260 12.9238 12.9238 13.0548 13.0548 14.0298 14.0298 14.0525 14.0525 15.9244 15.9244 k = 0.3889 0.5000-0.0000 ( 1596 PWs) bands (ev): 8.5479 8.5479 8.6947 8.6947 9.7317 9.7317 9.7866 9.7866 10.5302 10.5302 10.5447 10.5447 10.5882 10.5882 10.6413 10.6413 10.7219 10.7219 10.7580 10.7580 11.1135 11.1135 11.1876 11.1876 11.9261 11.9261 11.9868 11.9868 12.0325 12.0325 12.2060 12.2060 12.3832 12.3832 12.8154 12.8154 12.9173 12.9173 13.0284 13.0284 14.0802 14.0802 14.1041 14.1041 15.8109 15.8109 k = 0.4000 0.5000-0.0000 ( 1596 PWs) bands (ev): 8.6130 8.6130 8.7564 8.7564 9.6852 9.6852 9.7475 9.7475 10.5372 10.5372 10.5497 10.5497 10.6129 10.6129 10.6670 10.6670 10.7273 10.7273 10.7586 10.7586 11.0989 11.0989 11.1789 11.1789 11.9100 11.9100 11.9709 11.9709 12.0097 12.0097 12.2126 12.2126 12.3751 12.3751 12.8052 12.8052 12.9114 12.9114 13.0036 13.0036 14.1312 14.1312 14.1558 14.1558 15.7029 15.7029 k = 0.4111 0.5000-0.0000 ( 1592 PWs) bands (ev): 8.6783 8.6783 8.8177 8.8177 9.6368 9.6368 9.7070 9.7070 10.5436 10.5436 10.5533 10.5533 10.6374 10.6374 10.6921 10.6921 10.7331 10.7331 10.7593 10.7593 11.0840 11.0840 11.1709 11.1709 11.8954 11.8954 11.9558 11.9558 11.9876 11.9876 12.2194 12.2194 12.3678 12.3678 12.7957 12.7957 12.9061 12.9061 12.9808 12.9808 14.1827 14.1827 14.2072 14.2072 15.6003 15.6003 k = 0.4222 0.5000-0.0000 ( 1600 PWs) bands (ev): 8.7436 8.7436 8.8782 8.8782 9.5866 9.5866 9.6652 9.6652 10.5493 10.5493 10.5559 10.5559 10.6600 10.6600 10.7157 10.7157 10.7399 10.7399 10.7601 10.7601 11.0686 11.0686 11.1633 11.1633 11.8823 11.8823 11.9413 11.9413 11.9666 11.9666 12.2259 12.2259 12.3610 12.3610 12.7869 12.7869 12.9013 12.9013 12.9600 12.9600 14.2343 14.2343 14.2579 14.2579 15.5035 15.5035 k = 0.4333 0.5000-0.0000 ( 1608 PWs) bands (ev): 8.8088 8.8088 8.9378 8.9378 9.5345 9.5345 9.6220 9.6220 10.5545 10.5545 10.5580 10.5580 10.6793 10.6793 10.7367 10.7367 10.7490 10.7490 10.7612 10.7612 11.0534 11.0534 11.1567 11.1567 11.8709 11.8709 11.9278 11.9278 11.9473 11.9473 12.2321 12.2321 12.3551 12.3551 12.7788 12.7788 12.8971 12.8971 12.9415 12.9415 14.2856 14.2856 14.3073 14.3073 15.4130 15.4130 k = 0.4444 0.5000-0.0000 ( 1612 PWs) bands (ev): 8.8738 8.8738 8.9960 8.9960 9.4809 9.4809 9.5781 9.5781 10.5589 10.5589 10.5597 10.5597 10.6942 10.6942 10.7545 10.7545 10.7584 10.7584 10.7663 10.7663 11.0382 11.0382 11.1508 11.1508 11.8612 11.8612 11.9156 11.9156 11.9301 11.9301 12.2378 12.2378 12.3499 12.3499 12.7716 12.7716 12.8933 12.8933 12.9255 12.9255 14.3357 14.3357 14.3547 14.3547 15.3297 15.3297 k = 0.4556 0.5000-0.0000 ( 1612 PWs) bands (ev): 8.9383 8.9383 9.0522 9.0522 9.4257 9.4257 9.5339 9.5339 10.5611 10.5611 10.5628 10.5628 10.7040 10.7040 10.7605 10.7605 10.7709 10.7709 10.7801 10.7801 11.0236 11.0236 11.1459 11.1459 11.8535 11.8535 11.9049 11.9049 11.9156 11.9156 12.2428 12.2428 12.3457 12.3457 12.7656 12.7656 12.8900 12.8900 12.9125 12.9125 14.3834 14.3834 14.3986 14.3986 15.2550 15.2550 k = 0.4667 0.5000-0.0000 ( 1604 PWs) bands (ev): 9.0024 9.0024 9.1053 9.1053 9.3691 9.3691 9.4902 9.4902 10.5622 10.5622 10.5658 10.5658 10.7100 10.7100 10.7615 10.7615 10.7862 10.7862 10.7938 10.7938 11.0100 11.0100 11.1418 11.1418 11.8478 11.8478 11.8959 11.8959 11.9042 11.9042 12.2471 12.2471 12.3425 12.3425 12.7609 12.7609 12.8870 12.8870 12.9027 12.9027 14.4267 14.4267 14.4373 14.4373 15.1907 15.1907 k = 0.4778 0.5000-0.0000 ( 1604 PWs) bands (ev): 9.0655 9.0655 9.1528 9.1528 9.3113 9.3113 9.4494 9.4494 10.5629 10.5629 10.5680 10.5680 10.7135 10.7135 10.7620 10.7620 10.7988 10.7988 10.8051 10.8051 10.9985 10.9985 11.1388 11.1388 11.8436 11.8436 11.8889 11.8889 11.8961 11.8961 12.2501 12.2501 12.3401 12.3401 12.7573 12.7573 12.8841 12.8841 12.8964 12.8964 14.4623 14.4623 14.4681 14.4681 15.1400 15.1400 k = 0.4889 0.5000-0.0000 ( 1596 PWs) bands (ev): 9.1274 9.1274 9.1895 9.1895 9.2527 9.2527 9.4169 9.4169 10.5634 10.5634 10.5694 10.5694 10.7153 10.7153 10.7624 10.7624 10.8067 10.8067 10.8131 10.8131 10.9906 10.9906 11.1369 11.1369 11.8413 11.8413 11.8845 11.8845 11.8914 11.8914 12.2521 12.2521 12.3387 12.3387 12.7553 12.7553 12.8818 12.8818 12.8933 12.8933 14.4862 14.4862 14.4886 14.4886 15.1070 15.1070 k = 0.5000 0.5000-0.0000 ( 1596 PWs) bands (ev): 9.1767 9.1767 9.2043 9.2043 9.2045 9.2045 9.4033 9.4033 10.5635 10.5635 10.5699 10.5699 10.7158 10.7158 10.7625 10.7625 10.8092 10.8092 10.8162 10.8162 10.9878 10.9878 11.1362 11.1362 11.8405 11.8405 11.8830 11.8830 11.8898 11.8898 12.2527 12.2527 12.3382 12.3382 12.7545 12.7545 12.8808 12.8808 12.8923 12.8923 14.4943 14.4943 14.4961 14.4961 15.0953 15.0953 k = 0.5000 0.5000-0.0000 ( 1596 PWs) bands (ev): 9.1767 9.1767 9.2043 9.2043 9.2045 9.2045 9.4033 9.4033 10.5635 10.5635 10.5699 10.5699 10.7158 10.7158 10.7625 10.7625 10.8092 10.8092 10.8162 10.8162 10.9878 10.9878 11.1362 11.1362 11.8405 11.8405 11.8830 11.8830 11.8898 11.8898 12.2527 12.2527 12.3382 12.3382 12.7545 12.7545 12.8808 12.8808 12.8923 12.8923 14.4943 14.4943 14.4961 14.4961 15.0953 15.0953 k = 0.4921 0.4921-0.0000 ( 1596 PWs) bands (ev): 9.1213 9.1213 9.2052 9.2052 9.2420 9.2420 9.4179 9.4179 10.5633 10.5633 10.5695 10.5695 10.7152 10.7152 10.7624 10.7624 10.8060 10.8060 10.8137 10.8137 10.9906 10.9906 11.1369 11.1369 11.8414 11.8414 11.8844 11.8844 11.8915 11.8915 12.2521 12.2521 12.3388 12.3388 12.7553 12.7553 12.8818 12.8818 12.8933 12.8933 14.4789 14.4789 14.4958 14.4958 15.1061 15.1061 k = 0.4841 0.4841-0.0000 ( 1604 PWs) bands (ev): 9.0431 9.0431 9.2073 9.2073 9.2708 9.2708 9.4576 9.4576 10.5618 10.5618 10.5691 10.5691 10.7129 10.7129 10.7623 10.7623 10.7939 10.7939 10.8106 10.8106 10.9974 10.9974 11.1394 11.1394 11.8436 11.8436 11.8876 11.8876 11.8978 11.8978 12.2498 12.2498 12.3403 12.3403 12.7574 12.7574 12.8845 12.8845 12.8961 12.8961 14.4351 14.4351 14.4975 14.4975 15.1269 15.1269 k = 0.4762 0.4762-0.0000 ( 1604 PWs) bands (ev): 8.9570 8.9570 9.2109 9.2109 9.2872 9.2872 9.5112 9.5112 10.5578 10.5578 10.5702 10.5702 10.7077 10.7077 10.7612 10.7612 10.7774 10.7774 10.8074 10.8074 11.0047 11.0047 11.1448 11.1448 11.8474 11.8474 11.8917 11.8917 11.9095 11.9095 12.2460 12.2460 12.3435 12.3435 12.7611 12.7611 12.8887 12.8887 12.9014 12.9014 14.3742 14.3742 14.5005 14.5005 15.1422 15.1422 k = 0.4683 0.4683-0.0000 ( 1608 PWs) bands (ev): 8.8656 8.8656 9.2158 9.2158 9.2983 9.2983 9.5692 9.5692 10.5514 10.5514 10.5724 10.5724 10.6976 10.6976 10.7477 10.7477 10.7726 10.7726 10.8035 10.8035 11.0094 11.0094 11.1543 11.1543 11.8524 11.8524 11.8970 11.8970 11.9257 11.9257 12.2401 12.2401 12.3486 12.3486 12.7661 12.7661 12.8939 12.8939 12.9092 12.9092 14.3043 14.3043 14.5045 14.5045 15.1511 15.1511 k = 0.4603 0.4603-0.0000 ( 1608 PWs) bands (ev): 8.7701 8.7701 9.2221 9.2221 9.3077 9.3077 9.6266 9.6266 10.5432 10.5432 10.5752 10.5752 10.6812 10.6812 10.7270 10.7270 10.7778 10.7778 10.7995 10.7995 11.0103 11.0103 11.1684 11.1684 11.8583 11.8583 11.9039 11.9039 11.9463 11.9463 12.2319 12.2319 12.3558 12.3558 12.7724 12.7724 12.9000 12.9000 12.9192 12.9192 14.2305 14.2305 14.5098 14.5098 15.1574 15.1574 k = 0.4524 0.4524-0.0000 ( 1604 PWs) bands (ev): 8.6711 8.6711 9.2295 9.2295 9.3169 9.3169 9.6818 9.6818 10.5332 10.5332 10.5782 10.5782 10.6588 10.6588 10.7073 10.7073 10.7853 10.7853 10.7961 10.7961 11.0071 11.0071 11.1863 11.1863 11.8649 11.8649 11.9129 11.9129 11.9703 11.9703 12.2217 12.2217 12.3654 12.3654 12.7802 12.7802 12.9070 12.9070 12.9316 12.9316 14.1557 14.1557 14.5162 14.5162 15.1627 15.1627 k = 0.4444 0.4444-0.0000 ( 1604 PWs) bands (ev): 8.5691 8.5691 9.2379 9.2379 9.3263 9.3263 9.7333 9.7333 10.5218 10.5218 10.5793 10.5793 10.6336 10.6336 10.6885 10.6885 10.7859 10.7859 10.8017 10.8017 11.0012 11.0012 11.2070 11.2070 11.8718 11.8718 11.9239 11.9239 11.9974 11.9974 12.2096 12.2096 12.3772 12.3772 12.7892 12.7892 12.9149 12.9149 12.9461 12.9461 14.0813 14.0813 14.5238 14.5238 15.1678 15.1678 k = 0.4365 0.4365-0.0000 ( 1596 PWs) bands (ev): 8.4648 8.4648 9.2472 9.2472 9.3360 9.3360 9.7809 9.7809 10.5088 10.5088 10.5719 10.5719 10.6148 10.6148 10.6696 10.6696 10.7813 10.7813 10.8146 10.8146 10.9937 10.9937 11.2295 11.2295 11.8792 11.8792 11.9370 11.9370 12.0271 12.0271 12.1959 12.1959 12.3909 12.3909 12.7994 12.7994 12.9238 12.9238 12.9622 12.9622 14.0083 14.0083 14.5326 14.5326 15.1731 15.1731 k = 0.4286 0.4286-0.0000 ( 1592 PWs) bands (ev): 8.3583 8.3583 9.2572 9.2572 9.3462 9.3462 9.8243 9.8243 10.4946 10.4946 10.5477 10.5477 10.6105 10.6105 10.6506 10.6506 10.7764 10.7764 10.8300 10.8300 10.9859 10.9859 11.2529 11.2529 11.8866 11.8866 11.9520 11.9520 12.0590 12.0590 12.1808 12.1808 12.4065 12.4065 12.8107 12.8107 12.9337 12.9337 12.9797 12.9797 13.9371 13.9371 14.5425 14.5425 15.1788 15.1788 k = 0.4206 0.4206-0.0000 ( 1596 PWs) bands (ev): 8.2500 8.2500 9.2678 9.2678 9.3566 9.3566 9.8633 9.8633 10.4788 10.4788 10.5153 10.5153 10.6100 10.6100 10.6342 10.6342 10.7719 10.7719 10.8473 10.8473 10.9786 10.9786 11.2767 11.2767 11.8941 11.8941 11.9687 11.9687 12.0920 12.0920 12.1650 12.1650 12.4235 12.4235 12.8229 12.8229 12.9443 12.9443 12.9984 12.9984 13.8680 13.8680 14.5535 14.5535 15.1849 15.1849 k = 0.4127 0.4127-0.0000 ( 1596 PWs) bands (ev): 8.1403 8.1403 9.2786 9.2786 9.3671 9.3671 9.8979 9.8979 10.4612 10.4612 10.4806 10.4806 10.5974 10.5974 10.6313 10.6313 10.7685 10.7685 10.8660 10.8660 10.9729 10.9729 11.3005 11.3005 11.9018 11.9018 11.9869 11.9869 12.1239 12.1239 12.1509 12.1509 12.4420 12.4420 12.8361 12.8361 12.9559 12.9559 13.0181 13.0181 13.8011 13.8011 14.5657 14.5657 15.1915 15.1915 k = 0.4048 0.4048-0.0000 ( 1594 PWs) bands (ev): 8.0294 8.0294 9.2895 9.2895 9.3774 9.3774 9.9282 9.9282 10.4381 10.4381 10.4490 10.4490 10.5755 10.5755 10.6381 10.6381 10.7667 10.7667 10.8859 10.8859 10.9699 10.9699 11.3241 11.3241 11.9099 11.9099 12.0064 12.0064 12.1257 12.1257 12.1675 12.1675 12.4617 12.4617 12.8502 12.8502 12.9683 12.9683 13.0388 13.0388 13.7366 13.7366 14.5790 14.5790 15.1986 15.1986 k = 0.3968 0.3968-0.0000 ( 1594 PWs) bands (ev): 7.9176 7.9176 9.3001 9.3001 9.3872 9.3872 9.9540 9.9540 10.4035 10.4035 10.4271 10.4271 10.5508 10.5508 10.6477 10.6477 10.7667 10.7667 10.9062 10.9062 10.9704 10.9704 11.3473 11.3473 11.9182 11.9182 12.0267 12.0267 12.1093 12.1093 12.2031 12.2031 12.4824 12.4824 12.8651 12.8651 12.9816 12.9816 13.0602 13.0602 13.6744 13.6744 14.5934 14.5934 15.2062 15.2062 k = 0.3889 0.3889-0.0000 ( 1594 PWs) bands (ev): 7.8051 7.8051 9.3103 9.3103 9.3964 9.3964 9.9756 9.9756 10.3662 10.3662 10.4065 10.4065 10.5247 10.5247 10.6586 10.6586 10.7689 10.7689 10.9255 10.9255 10.9765 10.9765 11.3700 11.3700 11.9266 11.9266 12.0467 12.0467 12.0930 12.0930 12.2404 12.2404 12.5040 12.5040 12.8807 12.8807 12.9955 12.9955 13.0822 13.0822 13.6145 13.6145 14.6089 14.6089 15.2143 15.2143 k = 0.3810 0.3810-0.0000 ( 1600 PWs) bands (ev): 7.6923 7.6923 9.3196 9.3196 9.4046 9.4046 9.9928 9.9928 10.3285 10.3285 10.3852 10.3852 10.4974 10.4974 10.6705 10.6705 10.7733 10.7733 10.9418 10.9418 10.9902 10.9902 11.3920 11.3920 11.9350 11.9350 12.0585 12.0585 12.0856 12.0856 12.2781 12.2781 12.5262 12.5262 12.8969 12.8969 13.0101 13.0101 13.1048 13.1048 13.5571 13.5571 14.6255 14.6255 15.2230 15.2230 k = 0.3730 0.3730-0.0000 ( 1604 PWs) bands (ev): 7.5794 7.5794 9.3280 9.3280 9.4116 9.4116 10.0056 10.0056 10.2908 10.2908 10.3633 10.3633 10.4693 10.4693 10.6833 10.6833 10.7811 10.7811 10.9559 10.9559 11.0117 11.0117 11.4133 11.4133 11.9431 11.9431 12.0485 12.0485 12.1011 12.1011 12.3162 12.3162 12.5491 12.5491 12.9136 12.9136 13.0254 13.0254 13.1275 13.1275 13.5021 13.5021 14.6431 14.6431 15.2322 15.2322 k = 0.3651 0.3651-0.0000 ( 1604 PWs) bands (ev): 7.4665 7.4665 9.3351 9.3351 9.4172 9.4172 10.0139 10.0139 10.2539 10.2539 10.3405 10.3405 10.4405 10.4405 10.6970 10.6970 10.7923 10.7923 10.9705 10.9705 11.0384 11.0384 11.4338 11.4338 11.9499 11.9499 12.0336 12.0336 12.1240 12.1240 12.3541 12.3541 12.5724 12.5724 12.9308 12.9308 13.0413 13.0413 13.1509 13.1509 13.4496 13.4496 14.6617 14.6617 15.2419 15.2419 k = 0.3571 0.3571-0.0000 ( 1604 PWs) bands (ev): 7.3539 7.3539 9.3408 9.3408 9.4211 9.4211 10.0174 10.0174 10.2180 10.2180 10.3171 10.3171 10.4111 10.4111 10.7115 10.7115 10.8070 10.8070 10.9874 10.9874 11.0686 11.0686 11.4535 11.4535 11.9537 11.9537 12.0211 12.0211 12.1485 12.1485 12.3918 12.3918 12.5961 12.5961 12.9484 12.9484 13.0577 13.0577 13.1745 13.1745 13.3997 13.3997 14.6813 14.6813 15.2522 15.2522 k = 0.3492 0.3492-0.0000 ( 1604 PWs) bands (ev): 7.2417 7.2417 9.3447 9.3447 9.4232 9.4232 10.0155 10.0155 10.1842 10.1842 10.2931 10.2931 10.3812 10.3812 10.7267 10.7267 10.8256 10.8256 11.0078 11.0078 11.1013 11.1013 11.4723 11.4723 11.9512 11.9512 12.0151 12.0151 12.1738 12.1738 12.4288 12.4288 12.6200 12.6200 12.9663 12.9663 13.0746 13.0746 13.1984 13.1984 13.3525 13.3525 14.7019 14.7019 15.2629 15.2629 k = 0.3413 0.3413-0.0000 ( 1598 PWs) bands (ev): 7.1303 7.1303 9.3468 9.3468 9.4235 9.4235 10.0073 10.0073 10.1535 10.1535 10.2685 10.2685 10.3509 10.3509 10.7427 10.7427 10.8483 10.8483 11.0322 11.0322 11.1361 11.1361 11.4903 11.4903 11.9414 11.9414 12.0170 12.0170 12.1997 12.1997 12.4650 12.4650 12.6440 12.6440 12.9845 12.9845 13.0919 13.0919 13.2223 13.2223 13.3088 13.3088 14.7235 14.7235 15.2742 15.2742 k = 0.3333 0.3333-0.0000 ( 1602 PWs) bands (ev): 7.0196 7.0196 9.3469 9.3469 9.4217 9.4217 9.9921 9.9921 10.1268 10.1268 10.2434 10.2434 10.3204 10.3204 10.7592 10.7592 10.8748 10.8748 11.0603 11.0603 11.1728 11.1728 11.5074 11.5074 11.9266 11.9266 12.0242 12.0242 12.2261 12.2261 12.5000 12.5000 12.6681 12.6681 13.0027 13.0027 13.1094 13.1094 13.2456 13.2456 13.2685 13.2685 14.7459 14.7459 15.2860 15.2860 k = 0.3254 0.3254-0.0000 ( 1598 PWs) bands (ev): 6.9100 6.9100 9.3450 9.3450 9.4179 9.4179 9.9698 9.9698 10.1047 10.1047 10.2180 10.2180 10.2897 10.2897 10.7766 10.7766 10.9059 10.9059 11.0928 11.0928 11.2114 11.2114 11.5238 11.5238 11.9097 11.9097 12.0342 12.0342 12.2529 12.2529 12.5333 12.5333 12.6922 12.6922 13.0210 13.0210 13.1270 13.1270 13.2291 13.2291 13.2718 13.2718 14.7693 14.7693 15.2982 15.2982 k = 0.3175 0.3175-0.0000 ( 1586 PWs) bands (ev): 6.8014 6.8014 9.3413 9.3413 9.4124 9.4124 9.9415 9.9415 10.0861 10.0861 10.1926 10.1926 10.2592 10.2592 10.7942 10.7942 10.9415 10.9415 11.1293 11.1293 11.2518 11.2518 11.5393 11.5393 11.8919 11.8919 12.0457 12.0457 12.2800 12.2800 12.5647 12.5647 12.7163 12.7163 13.0393 13.0393 13.1441 13.1441 13.1967 13.1967 13.2958 13.2958 14.7936 14.7936 15.3110 15.3110 k = 0.3095 0.3095-0.0000 ( 1590 PWs) bands (ev): 6.6942 6.6942 9.3355 9.3355 9.4048 9.4048 9.9090 9.9090 10.0696 10.0696 10.1665 10.1665 10.2283 10.2283 10.8122 10.8122 10.9810 10.9810 11.1694 11.1694 11.2938 11.2938 11.5542 11.5542 11.8738 11.8738 12.0581 12.0581 12.3072 12.3072 12.5933 12.5933 12.7399 12.7399 13.0572 13.0572 13.1529 13.1529 13.1768 13.1768 13.3200 13.3200 14.8185 14.8185 15.3241 15.3241 k = 0.3016 0.3016-0.0000 ( 1588 PWs) bands (ev): 6.5884 6.5884 9.3278 9.3278 9.3954 9.3954 9.8738 9.8738 10.0539 10.0539 10.1404 10.1404 10.1976 10.1976 10.8307 10.8307 11.0248 11.0248 11.2126 11.2126 11.3378 11.3378 11.5686 11.5686 11.8561 11.8561 12.0712 12.0712 12.3347 12.3347 12.6187 12.6187 12.7635 12.7635 13.0741 13.0741 13.1375 13.1375 13.1873 13.1873 13.3443 13.3443 14.8441 14.8441 15.3376 15.3376 k = 0.2937 0.2937-0.0000 ( 1586 PWs) bands (ev): 6.4842 6.4842 9.3183 9.3183 9.3844 9.3844 9.8369 9.8369 10.0383 10.0383 10.1141 10.1141 10.1669 10.1669 10.8495 10.8495 11.0725 11.0725 11.2582 11.2582 11.3831 11.3831 11.5831 11.5831 11.8389 11.8389 12.0848 12.0848 12.3623 12.3623 12.6399 12.6399 12.7869 12.7869 13.0877 13.0877 13.1238 13.1238 13.2050 13.2050 13.3685 13.3685 14.8705 14.8705 15.3515 15.3515 k = 0.2857 0.2857-0.0000 ( 1586 PWs) bands (ev): 6.3817 6.3817 9.3073 9.3073 9.3719 9.3719 9.7990 9.7990 10.0219 10.0219 10.0878 10.0878 10.1365 10.1365 10.8686 10.8686 11.1240 11.1240 11.3051 11.3051 11.4299 11.4299 11.5983 11.5983 11.8226 11.8226 12.0988 12.0988 12.3899 12.3899 12.6565 12.6565 12.8099 12.8099 13.0911 13.0911 13.1256 13.1256 13.2237 13.2237 13.3926 13.3926 14.8974 14.8974 15.3658 15.3658 k = 0.2778 0.2778-0.0000 ( 1588 PWs) bands (ev): 6.2809 6.2809 9.2947 9.2947 9.3581 9.3581 9.7607 9.7607 10.0048 10.0048 10.0615 10.0615 10.1063 10.1063 10.8880 10.8880 11.1791 11.1791 11.3516 11.3516 11.4780 11.4780 11.6150 11.6150 11.8079 11.8079 12.1131 12.1131 12.4175 12.4175 12.6678 12.6678 12.8326 12.8326 13.0886 13.0886 13.1393 13.1393 13.2427 13.2427 13.4166 13.4166 14.9250 14.9250 15.3803 15.3803 k = 0.2698 0.2698-0.0000 ( 1588 PWs) bands (ev): 6.1820 6.1820 9.2809 9.2809 9.3431 9.3431 9.7220 9.7220 9.9869 9.9869 10.0353 10.0353 10.0764 10.0764 10.9076 10.9076 11.2376 11.2376 11.3954 11.3954 11.5274 11.5274 11.6344 11.6344 11.7960 11.7960 12.1276 12.1276 12.4450 12.4450 12.6738 12.6738 12.8548 12.8548 13.0898 13.0898 13.1560 13.1560 13.2618 13.2618 13.4404 13.4404 14.9531 14.9531 15.3952 15.3952 k = 0.2619 0.2619-0.0000 ( 1580 PWs) bands (ev): 6.0851 6.0851 9.2661 9.2661 9.3273 9.3273 9.6834 9.6834 9.9682 9.9682 10.0094 10.0094 10.0469 10.0469 10.9273 10.9273 11.2995 11.2995 11.4338 11.4338 11.5779 11.5779 11.6565 11.6565 11.7897 11.7897 12.1423 12.1423 12.4724 12.4724 12.6751 12.6751 12.8768 12.8768 13.0964 13.0964 13.1736 13.1736 13.2812 13.2812 13.4641 13.4641 14.9817 14.9817 15.4104 15.4104 k = 0.2540 0.2540-0.0000 ( 1582 PWs) bands (ev): 5.9904 5.9904 9.2501 9.2501 9.3104 9.3104 9.6449 9.6449 9.9488 9.9488 9.9837 9.9837 10.0178 10.0178 10.9469 10.9469 11.3640 11.3640 11.4636 11.4636 11.6294 11.6294 11.6770 11.6770 11.7955 11.7955 12.1572 12.1572 12.4996 12.4996 12.6724 12.6724 12.8981 12.8981 13.1080 13.1080 13.1913 13.1913 13.3004 13.3004 13.4874 13.4874 15.0106 15.0106 15.4257 15.4257 k = 0.2460 0.2460-0.0000 ( 1582 PWs) bands (ev): 5.8977 5.8977 9.2334 9.2334 9.2929 9.2929 9.6066 9.6066 9.9286 9.9286 9.9584 9.9584 9.9892 9.9892 10.9669 10.9669 11.4309 11.4309 11.4847 11.4847 11.6767 11.6767 11.6932 11.6932 11.8219 11.8219 12.1721 12.1721 12.5266 12.5266 12.6669 12.6669 12.9188 12.9188 13.1237 13.1237 13.2090 13.2090 13.3195 13.3195 13.5105 13.5105 15.0399 15.0399 15.4412 15.4412 k = 0.2381 0.2381-0.0000 ( 1578 PWs) bands (ev): 5.8074 5.8074 9.2160 9.2160 9.2748 9.2748 9.5686 9.5686 9.9079 9.9079 9.9334 9.9334 9.9611 9.9611 10.9872 10.9872 11.4930 11.4930 11.5049 11.5049 11.6829 11.6829 11.7412 11.7412 11.8684 11.8684 12.1873 12.1873 12.5532 12.5532 12.6598 12.6598 12.9390 12.9390 13.1427 13.1427 13.2267 13.2267 13.3385 13.3385 13.5332 13.5332 15.0695 15.0695 15.4569 15.4569 k = 0.2302 0.2302-0.0000 ( 1578 PWs) bands (ev): 5.7193 5.7193 9.1981 9.1981 9.2563 9.2563 9.5311 9.5311 9.8866 9.8866 9.9089 9.9089 9.9336 9.9336 11.0071 11.0071 11.5032 11.5032 11.5727 11.5727 11.6764 11.6764 11.7977 11.7977 11.9276 11.9276 12.2023 12.2023 12.5795 12.5795 12.6522 12.6522 12.9586 12.9586 13.1639 13.1639 13.2442 13.2442 13.3574 13.3574 13.5556 13.5556 15.0994 15.0994 15.4726 15.4726 k = 0.2222 0.2222-0.0000 ( 1580 PWs) bands (ev): 5.6337 5.6337 9.1797 9.1797 9.2373 9.2373 9.4942 9.4942 9.8650 9.8650 9.8850 9.8850 9.9066 9.9066 11.0268 11.0268 11.5056 11.5056 11.6428 11.6428 11.6698 11.6698 11.8562 11.8562 11.9939 11.9939 12.2173 12.2173 12.6051 12.6051 12.6452 12.6452 12.9776 12.9776 13.1865 13.1865 13.2616 13.2616 13.3762 13.3762 13.5777 13.5777 15.1294 15.1294 15.4883 15.4883 k = 0.2143 0.2143-0.0000 ( 1584 PWs) bands (ev): 5.5506 5.5506 9.1611 9.1611 9.2181 9.2181 9.4578 9.4578 9.8430 9.8430 9.8613 9.8613 9.8800 9.8800 11.0464 11.0464 11.5044 11.5044 11.6531 11.6531 11.7235 11.7235 11.9160 11.9160 12.0643 12.0643 12.2323 12.2323 12.6282 12.6282 12.6417 12.6417 12.9960 12.9960 13.2101 13.2101 13.2789 13.2789 13.3948 13.3948 13.5993 13.5993 15.1595 15.1595 15.5040 15.5040 k = 0.2063 0.2063-0.0000 ( 1584 PWs) bands (ev): 5.4699 5.4699 9.1425 9.1425 9.1990 9.1990 9.4222 9.4222 9.8210 9.8210 9.8385 9.8385 9.8544 9.8544 11.0658 11.0658 11.5007 11.5007 11.6425 11.6425 11.7992 11.7992 11.9771 11.9771 12.1363 12.1363 12.2472 12.2472 12.6334 12.6334 12.6581 12.6581 13.0138 13.0138 13.2341 13.2341 13.2961 13.2961 13.4133 13.4133 13.6205 13.6205 15.1896 15.1896 15.5197 15.5197 k = 0.1984 0.1984-0.0000 ( 1588 PWs) bands (ev): 5.3919 5.3919 9.1239 9.1239 9.1798 9.1798 9.3873 9.3873 9.7989 9.7989 9.8160 9.8160 9.8295 9.8295 11.0849 11.0849 11.4951 11.4951 11.6311 11.6311 11.8765 11.8765 12.0391 12.0391 12.2076 12.2076 12.2621 12.2621 12.6346 12.6346 12.6818 12.6818 13.0310 13.0310 13.2582 13.2582 13.3130 13.3130 13.4316 13.4316 13.6412 13.6412 15.2197 15.2197 15.5352 15.5352 k = 0.1905 0.1905-0.0000 ( 1580 PWs) bands (ev): 5.3166 5.3166 9.1053 9.1053 9.1607 9.1607 9.3541 9.3541 9.7774 9.7774 9.7944 9.7944 9.8053 9.8053 11.1037 11.1037 11.4880 11.4880 11.6195 11.6195 11.9546 11.9546 12.1022 12.1022 12.2706 12.2706 12.2819 12.2819 12.6413 12.6413 12.7059 12.7059 13.0476 13.0476 13.2821 13.2821 13.3299 13.3299 13.4498 13.4498 13.6614 13.6614 15.2498 15.2498 15.5504 15.5504 k = 0.1825 0.1825-0.0000 ( 1578 PWs) bands (ev): 5.2439 5.2439 9.0870 9.0870 9.1416 9.1416 9.3209 9.3209 9.7560 9.7560 9.7731 9.7731 9.7819 9.7819 11.1223 11.1223 11.4801 11.4801 11.6081 11.6081 12.0331 12.0331 12.1660 12.1660 12.2898 12.2898 12.3382 12.3382 12.6572 12.6572 12.7297 12.7297 13.0635 13.0635 13.3057 13.3057 13.3465 13.3465 13.4679 13.4679 13.6811 13.6811 15.2796 15.2796 15.5654 15.5654 k = 0.1746 0.1746-0.0000 ( 1578 PWs) bands (ev): 5.1740 5.1740 9.0689 9.0689 9.1228 9.1228 9.2889 9.2889 9.7350 9.7350 9.7524 9.7524 9.7593 9.7593 11.1402 11.1402 11.4713 11.4713 11.5965 11.5965 12.1115 12.1115 12.2303 12.2303 12.3045 12.3045 12.3875 12.3875 12.6854 12.6854 12.7541 12.7541 13.0788 13.0788 13.3289 13.3289 13.3631 13.3631 13.4858 13.4858 13.7002 13.7002 15.3092 15.3092 15.5801 15.5801 k = 0.1667 0.1667-0.0000 ( 1578 PWs) bands (ev): 5.1069 5.1069 9.0512 9.0512 9.1041 9.1041 9.2580 9.2580 9.7145 9.7145 9.7322 9.7322 9.7376 9.7376 11.1577 11.1577 11.4620 11.4620 11.5851 11.5851 12.1897 12.1897 12.2934 12.2934 12.3205 12.3205 12.4232 12.4232 12.7259 12.7259 12.7809 12.7809 13.0935 13.0935 13.3514 13.3514 13.3794 13.3794 13.5036 13.5036 13.7187 13.7187 15.3386 15.3386 15.5943 15.5943 k = 0.1587 0.1587-0.0000 ( 1586 PWs) bands (ev): 5.0426 5.0426 9.0338 9.0338 9.0856 9.0856 9.2284 9.2284 9.6946 9.6946 9.7125 9.7125 9.7166 9.7166 11.1746 11.1746 11.4523 11.4523 11.5738 11.5738 12.2666 12.2666 12.3295 12.3295 12.3635 12.3635 12.4466 12.4466 12.7684 12.7684 12.8187 12.8187 13.1074 13.1074 13.3728 13.3728 13.3954 13.3954 13.5212 13.5212 13.7365 13.7365 15.3676 15.3676 15.6080 15.6080 k = 0.1508 0.1508-0.0000 ( 1590 PWs) bands (ev): 4.9813 4.9813 9.0170 9.0170 9.0674 9.0674 9.2001 9.2001 9.6755 9.6755 9.6935 9.6935 9.6966 9.6966 11.1906 11.1906 11.4424 11.4424 11.5624 11.5624 12.3326 12.3326 12.3541 12.3541 12.4245 12.4245 12.4640 12.4640 12.7990 12.7990 12.8777 12.8777 13.1208 13.1208 13.3938 13.3938 13.4114 13.4114 13.5390 13.5390 13.7537 13.7537 15.3962 15.3962 15.6213 15.6213 k = 0.1429 0.1429-0.0000 ( 1584 PWs) bands (ev): 4.9228 4.9228 9.0007 9.0007 9.0495 9.0495 9.1734 9.1734 9.6571 9.6571 9.6752 9.6752 9.6776 9.6776 11.2062 11.2062 11.4326 11.4326 11.5516 11.5516 12.3528 12.3528 12.4205 12.4205 12.4616 12.4616 12.5028 12.5028 12.8221 12.8221 12.9493 12.9493 13.1337 13.1337 13.4139 13.4139 13.4273 13.4273 13.5570 13.5570 13.7703 13.7703 15.4243 15.4243 15.6339 15.6339 k = 0.1349 0.1349-0.0000 ( 1590 PWs) bands (ev): 4.8674 4.8674 8.9850 8.9850 9.0318 9.0318 9.1480 9.1480 9.6394 9.6394 9.6574 9.6574 9.6594 9.6594 11.2210 11.2210 11.4229 11.4229 11.5410 11.5410 12.3657 12.3657 12.4621 12.4621 12.5011 12.5011 12.5648 12.5648 12.8419 12.8419 13.0258 13.0258 13.1460 13.1460 13.4332 13.4332 13.4426 13.4426 13.5751 13.5751 13.7861 13.7861 15.4518 15.4518 15.6458 15.6458 k = 0.1270 0.1270-0.0000 ( 1590 PWs) bands (ev): 4.8149 4.8149 8.9700 8.9700 9.0145 9.0145 9.1242 9.1242 9.6226 9.6226 9.6406 9.6406 9.6423 9.6423 11.2350 11.2350 11.4135 11.4135 11.5309 11.5309 12.3775 12.3775 12.4679 12.4679 12.5702 12.5702 12.6293 12.6293 12.8604 12.8604 13.1034 13.1034 13.1585 13.1585 13.4515 13.4515 13.4579 13.4579 13.5935 13.5935 13.8012 13.8012 15.4786 15.4786 15.6571 15.6571 k = 0.1190 0.1190-0.0000 ( 1586 PWs) bands (ev): 4.7654 4.7654 8.9559 8.9559 8.9976 8.9976 9.1021 9.1021 9.6069 9.6069 9.6249 9.6249 9.6263 9.6263 11.2482 11.2482 11.4043 11.4043 11.5213 11.5213 12.3887 12.3887 12.4702 12.4702 12.6385 12.6385 12.6935 12.6935 12.8779 12.8779 13.1623 13.1623 13.1890 13.1890 13.4689 13.4689 13.4730 13.4730 13.6124 13.6124 13.8156 13.8156 15.5047 15.5047 15.6675 15.6675 k = 0.1111 0.1111-0.0000 ( 1587 PWs) bands (ev): 4.7191 4.7191 8.9423 8.9423 8.9810 8.9810 9.0817 9.0817 9.5918 9.5918 9.6097 9.6097 9.6110 9.6110 11.2604 11.2604 11.3954 11.3954 11.5123 11.5123 12.3992 12.3992 12.4713 12.4713 12.7039 12.7039 12.7568 12.7568 12.8949 12.8949 13.1761 13.1761 13.2629 13.2629 13.4853 13.4853 13.4881 13.4881 13.6319 13.6319 13.8292 13.8292 15.5300 15.5300 15.6771 15.6771 k = 0.1032 0.1032-0.0000 ( 1591 PWs) bands (ev): 4.6758 4.6758 8.9296 8.9296 8.9649 8.9649 9.0631 9.0631 9.5777 9.5777 9.5955 9.5955 9.5966 9.5966 11.2713 11.2713 11.3868 11.3868 11.5038 11.5038 12.4085 12.4085 12.4718 12.4718 12.7650 12.7650 12.8185 12.8185 12.9122 12.9122 13.1861 13.1861 13.3375 13.3375 13.5005 13.5005 13.5036 13.5036 13.6524 13.6524 13.8420 13.8420 15.5543 15.5543 15.6859 15.6859 k = 0.0952 0.0952-0.0000 ( 1583 PWs) bands (ev): 4.6356 4.6356 8.9177 8.9177 8.9495 8.9495 9.0462 9.0462 9.5646 9.5646 9.5823 9.5823 9.5833 9.5833 11.2815 11.2815 11.3788 11.3788 11.4962 11.4962 12.4178 12.4178 12.4721 12.4721 12.8204 12.8204 12.8781 12.8781 12.9308 12.9308 13.1953 13.1953 13.4087 13.4087 13.5146 13.5146 13.5203 13.5203 13.6740 13.6740 13.8541 13.8541 15.5775 15.5775 15.6938 15.6938 k = 0.0873 0.0873-0.0000 ( 1583 PWs) bands (ev): 4.5985 4.5985 8.9066 8.9066 8.9346 8.9346 9.0308 9.0308 9.5523 9.5523 9.5701 9.5701 9.5710 9.5710 11.2906 11.2906 11.3712 11.3712 11.4895 11.4895 12.4264 12.4264 12.4723 12.4723 12.8666 12.8666 12.9347 12.9347 12.9535 12.9535 13.2037 13.2037 13.4717 13.4717 13.5278 13.5278 13.5409 13.5409 13.6968 13.6968 13.8654 13.8654 15.5996 15.5996 15.7008 15.7008 k = 0.0794 0.0794-0.0000 ( 1585 PWs) bands (ev): 4.5646 4.5646 8.8964 8.8964 8.9205 8.9205 9.0172 9.0172 9.5412 9.5412 9.5589 9.5589 9.5598 9.5598 11.2986 11.2986 11.3642 11.3642 11.4835 11.4835 12.4339 12.4339 12.4723 12.4723 12.9003 12.9003 12.9807 12.9807 12.9906 12.9906 13.2115 13.2115 13.5152 13.5152 13.5401 13.5401 13.5764 13.5764 13.7210 13.7210 13.8758 13.8758 15.6204 15.6204 15.7070 15.7070 k = 0.0714 0.0714-0.0000 ( 1575 PWs) bands (ev): 4.5339 4.5339 8.8874 8.8874 8.9075 8.9075 9.0051 9.0051 9.5313 9.5313 9.5491 9.5491 9.5497 9.5497 11.3056 11.3056 11.3577 11.3577 11.4785 11.4785 12.4411 12.4411 12.4724 12.4724 12.9224 12.9224 13.0171 13.0171 13.0396 13.0396 13.2187 13.2187 13.5374 13.5374 13.5514 13.5514 13.6280 13.6280 13.7467 13.7467 13.8856 13.8856 15.6398 15.6398 15.7123 15.7123 k = 0.0635 0.0635-0.0000 ( 1579 PWs) bands (ev): 4.5063 4.5063 8.8790 8.8790 8.8954 8.8954 8.9944 8.9944 9.5221 9.5221 9.5399 9.5399 9.5404 9.5404 11.3114 11.3114 11.3515 11.3515 11.4741 11.4741 12.4476 12.4476 12.4723 12.4723 12.9372 12.9372 13.0537 13.0537 13.0849 13.0849 13.2255 13.2255 13.5516 13.5516 13.5615 13.5615 13.6815 13.6815 13.7735 13.7735 13.8947 13.8947 15.6576 15.6576 15.7168 15.7168 k = 0.0556 0.0556-0.0000 ( 1579 PWs) bands (ev): 4.4820 4.4820 8.8715 8.8715 8.8844 8.8844 8.9851 8.9851 9.5140 9.5140 9.5318 9.5318 9.5321 9.5321 11.3162 11.3162 11.3463 11.3463 11.4708 11.4708 12.4535 12.4535 12.4724 12.4724 12.9482 12.9482 13.0877 13.0877 13.1256 13.1256 13.2318 13.2318 13.5629 13.5629 13.5704 13.5704 13.7314 13.7314 13.8011 13.8011 13.9033 13.9033 15.6737 15.6737 15.7205 15.7205 k = 0.0476 0.0476-0.0000 ( 1571 PWs) bands (ev): 4.4609 4.4609 8.8654 8.8654 8.8749 8.8749 8.9774 8.9774 9.5071 9.5071 9.5249 9.5249 9.5251 9.5251 11.3200 11.3200 11.3416 11.3416 11.4683 11.4683 12.4585 12.4585 12.4725 12.4725 12.9568 12.9568 13.1175 13.1175 13.1612 13.1612 13.2378 13.2378 13.5725 13.5725 13.5783 13.5783 13.7758 13.7758 13.8284 13.8284 13.9117 13.9117 15.6880 15.6880 15.7235 15.7235 k = 0.0397 0.0397-0.0000 ( 1571 PWs) bands (ev): 4.4430 4.4430 8.8598 8.8598 8.8666 8.8666 8.9707 8.9707 9.5011 9.5011 9.5189 9.5189 9.5191 9.5191 11.3230 11.3230 11.3377 11.3377 11.4664 11.4664 12.4629 12.4629 12.4725 12.4725 12.9637 12.9637 13.1424 13.1424 13.1915 13.1915 13.2434 13.2434 13.5806 13.5806 13.5849 13.5849 13.8140 13.8140 13.8537 13.8537 13.9204 13.9204 15.7003 15.7003 15.7259 15.7259 k = 0.0317 0.0317-0.0000 ( 1569 PWs) bands (ev): 4.4283 4.4283 8.8554 8.8554 8.8598 8.8598 8.9654 8.9654 9.4963 9.4963 9.5141 9.5141 9.5143 9.5143 11.3250 11.3250 11.3343 11.3343 11.4649 11.4649 12.4664 12.4664 12.4724 12.4724 12.9690 12.9690 13.1622 13.1622 13.2164 13.2164 13.2486 13.2486 13.5874 13.5874 13.5903 13.5903 13.8458 13.8458 13.8747 13.8747 13.9302 13.9302 15.7104 15.7104 15.7278 15.7278 k = 0.0238 0.0238-0.0000 ( 1573 PWs) bands (ev): 4.4169 4.4169 8.8519 8.8519 8.8544 8.8544 8.9613 8.9613 9.4924 9.4924 9.5103 9.5103 9.5104 9.5104 11.3263 11.3263 11.3316 11.3316 11.4638 11.4638 12.4689 12.4689 12.4724 12.4724 12.9731 12.9731 13.1768 13.1768 13.2358 13.2358 13.2534 13.2534 13.5928 13.5928 13.5945 13.5945 13.8710 13.8710 13.8896 13.8896 13.9410 13.9410 15.7182 15.7182 15.7293 15.7293 k = 0.0159 0.0159-0.0000 ( 1573 PWs) bands (ev): 4.4088 4.4088 8.8494 8.8494 8.8505 8.8505 8.9583 8.9583 9.4897 9.4897 9.5076 9.5076 9.5076 9.5076 11.3274 11.3274 11.3298 11.3298 11.4633 11.4633 12.4709 12.4709 12.4725 12.4725 12.9760 12.9760 13.1867 13.1867 13.2496 13.2496 13.2572 13.2572 13.5967 13.5967 13.5975 13.5975 13.8895 13.8895 13.8986 13.8986 13.9514 13.9514 15.7234 15.7234 15.7304 15.7304 k = 0.0079 0.0079-0.0000 ( 1575 PWs) bands (ev): 4.4039 4.4039 8.8478 8.8478 8.8481 8.8481 8.9565 8.9565 9.4880 9.4880 9.5059 9.5059 9.5059 9.5059 11.3280 11.3280 11.3285 11.3285 11.4629 11.4629 12.4720 12.4720 12.4724 12.4724 12.9777 12.9777 13.1924 13.1924 13.2579 13.2579 13.2597 13.2597 13.5991 13.5991 13.5993 13.5993 13.9008 13.9008 13.9032 13.9032 13.9588 13.9588 15.7261 15.7261 15.7298 15.7298 k = 0.0000 0.0000 0.0000 ( 1575 PWs) bands (ev): 4.4023 4.4023 8.8473 8.8473 8.8473 8.8473 8.9559 8.9559 9.4875 9.4875 9.5054 9.5054 9.5054 9.5054 11.3282 11.3282 11.3282 11.3282 11.4628 11.4628 12.4724 12.4724 12.4724 12.4724 12.9782 12.9782 13.1942 13.1942 13.2606 13.2606 13.2606 13.2606 13.5999 13.5999 13.5999 13.5999 13.9047 13.9047 13.9047 13.9047 13.9614 13.9614 15.7268 15.7268 15.7268 15.7268 k = 0.0000 0.0000 0.0000 ( 1575 PWs) bands (ev): 4.4023 4.4023 8.8473 8.8473 8.8473 8.8473 8.9559 8.9559 9.4875 9.4875 9.5054 9.5054 9.5054 9.5054 11.3282 11.3282 11.3282 11.3282 11.4628 11.4628 12.4724 12.4724 12.4724 12.4724 12.9782 12.9782 13.1942 13.1942 13.2606 13.2606 13.2606 13.2606 13.5999 13.5999 13.5999 13.5999 13.9047 13.9047 13.9047 13.9047 13.9614 13.9614 15.7268 15.7268 15.7268 15.7269 k = 0.0065 0.0065 0.0065 ( 1575 PWs) bands (ev): 4.4039 4.4039 8.8480 8.8480 8.8480 8.8480 8.9565 8.9565 9.4880 9.4880 9.5059 9.5059 9.5059 9.5059 11.3280 11.3280 11.3285 11.3285 11.4629 11.4629 12.4722 12.4722 12.4723 12.4723 12.9777 12.9777 13.1924 13.1924 13.2579 13.2579 13.2597 13.2597 13.5991 13.5991 13.5993 13.5993 13.9009 13.9009 13.9032 13.9032 13.9588 13.9588 15.7284 15.7284 15.7291 15.7291 k = 0.0130 0.0130 0.0130 ( 1575 PWs) bands (ev): 4.4088 4.4088 8.8499 8.8499 8.8499 8.8499 8.9583 8.9583 9.4897 9.4897 9.5076 9.5076 9.5076 9.5076 11.3275 11.3275 11.3295 11.3295 11.4632 11.4632 12.4714 12.4714 12.4718 12.4718 12.9760 12.9760 13.1867 13.1867 13.2497 13.2497 13.2570 13.2570 13.5967 13.5967 13.5975 13.5975 13.8894 13.8894 13.8987 13.8987 13.9512 13.9512 15.7331 15.7331 15.7355 15.7355 k = 0.0195 0.0195 0.0195 ( 1569 PWs) bands (ev): 4.4170 4.4170 8.8531 8.8531 8.8532 8.8532 8.9613 8.9613 9.4925 9.4925 9.5103 9.5103 9.5104 9.5104 11.3268 11.3268 11.3315 11.3315 11.4640 11.4640 12.4704 12.4704 12.4712 12.4712 12.9731 12.9731 13.1770 13.1770 13.2360 13.2360 13.2528 13.2528 13.5927 13.5927 13.5945 13.5945 13.8698 13.8698 13.8915 13.8915 13.9397 13.9397 15.7407 15.7407 15.7450 15.7450 k = 0.0260 0.0260 0.0260 ( 1569 PWs) bands (ev): 4.4284 4.4284 8.8576 8.8576 8.8578 8.8578 8.9654 8.9654 9.4963 9.4963 9.5142 9.5142 9.5143 9.5143 11.3254 11.3254 11.3339 11.3339 11.4649 11.4649 12.4687 12.4687 12.4701 12.4701 12.9690 12.9690 13.1626 13.1626 13.2168 13.2168 13.2476 13.2476 13.5873 13.5873 13.5904 13.5904 13.8416 13.8416 13.8818 13.8818 13.9254 13.9254 15.7511 15.7511 15.7567 15.7567 k = 0.0325 0.0325 0.0325 ( 1575 PWs) bands (ev): 4.4432 4.4432 8.8633 8.8633 8.8636 8.8636 8.9707 8.9707 9.5010 9.5010 9.5189 9.5189 9.5190 9.5190 11.3235 11.3235 11.3369 11.3369 11.4662 11.4662 12.4665 12.4665 12.4686 12.4686 12.9636 12.9636 13.1433 13.1433 13.1921 13.1921 13.2417 13.2417 13.5804 13.5804 13.5850 13.5850 13.8054 13.8054 13.8701 13.8701 13.9091 13.9091 15.7639 15.7639 15.7704 15.7704 k = 0.0390 0.0390 0.0390 ( 1575 PWs) bands (ev): 4.4611 4.4611 8.8704 8.8704 8.8707 8.8707 8.9772 8.9772 9.5070 9.5070 9.5249 9.5249 9.5251 9.5251 11.3208 11.3208 11.3406 11.3406 11.4680 11.4680 12.4638 12.4638 12.4669 12.4669 12.9568 12.9568 13.1189 13.1189 13.1620 13.1620 13.2353 13.2353 13.5722 13.5722 13.5785 13.5785 13.7618 13.7618 13.8566 13.8566 13.8913 13.8913 15.7787 15.7787 15.7860 15.7860 k = 0.0455 0.0455 0.0455 ( 1587 PWs) bands (ev): 4.4823 4.4823 8.8784 8.8784 8.8788 8.8788 8.9844 8.9844 9.5139 9.5139 9.5317 9.5317 9.5320 9.5320 11.3174 11.3174 11.3449 11.3449 11.4704 11.4704 12.4607 12.4607 12.4649 12.4649 12.9485 12.9485 13.0892 13.0892 13.1265 13.1265 13.2286 13.2286 13.5624 13.5624 13.5707 13.5707 13.7118 13.7118 13.8420 13.8420 13.8723 13.8723 15.7953 15.7953 15.8031 15.8031 k = 0.0519 0.0519 0.0519 ( 1587 PWs) bands (ev): 4.5067 4.5067 8.8879 8.8879 8.8885 8.8885 8.9933 8.9933 9.5220 9.5220 9.5398 9.5398 9.5402 9.5402 11.3130 11.3130 11.3498 11.3498 11.4736 11.4736 12.4571 12.4571 12.4626 12.4626 12.9386 12.9386 13.0545 13.0545 13.0860 13.0860 13.2217 13.2217 13.5508 13.5508 13.5616 13.5616 13.6569 13.6569 13.8266 13.8266 13.8525 13.8525 15.8131 15.8131 15.8216 15.8216 k = 0.0584 0.0584 0.0584 ( 1584 PWs) bands (ev): 4.5344 4.5344 8.8987 8.8987 8.8995 8.8995 9.0032 9.0032 9.5312 9.5312 9.5490 9.5490 9.5495 9.5495 11.3080 11.3080 11.3553 11.3553 11.4777 11.4777 12.4532 12.4532 12.4601 12.4601 12.9266 12.9266 13.0153 13.0153 13.0407 13.0407 13.2147 13.2147 13.5358 13.5358 13.5510 13.5510 13.5995 13.5995 13.8109 13.8109 13.8324 13.8324 15.8318 15.8318 15.8409 15.8409 k = 0.0649 0.0649 0.0649 ( 1584 PWs) bands (ev): 4.5652 4.5652 8.9107 8.9107 8.9117 8.9117 9.0143 9.0143 9.5414 9.5414 9.5592 9.5592 9.5598 9.5598 11.3017 11.3017 11.3612 11.3612 11.4825 11.4825 12.4488 12.4488 12.4574 12.4574 12.9117 12.9117 12.9727 12.9727 12.9908 12.9908 13.2075 13.2075 13.5072 13.5072 13.5388 13.5388 13.5502 13.5502 13.7953 13.7953 13.8123 13.8123 15.8511 15.8511 15.8607 15.8607 k = 0.0714 0.0714 0.0714 ( 1572 PWs) bands (ev): 4.5993 4.5993 8.9240 8.9240 8.9252 8.9252 9.0265 9.0265 9.5526 9.5526 9.5704 9.5704 9.5711 9.5711 11.2948 11.2948 11.3681 11.3681 11.4886 11.4886 12.4445 12.4445 12.4549 12.4549 12.8902 12.8902 12.9305 12.9305 12.9369 12.9369 13.2003 13.2003 13.4506 13.4506 13.5243 13.5243 13.5249 13.5249 13.7800 13.7800 13.7925 13.7925 15.8706 15.8706 15.8807 15.8807 k = 0.0779 0.0779 0.0779 ( 1584 PWs) bands (ev): 4.6365 4.6365 8.9380 8.9380 8.9395 8.9395 9.0395 9.0395 9.5645 9.5645 9.5824 9.5824 9.5833 9.5833 11.2865 11.2865 11.3750 11.3750 11.4950 11.4950 12.4392 12.4392 12.4516 12.4516 12.8523 12.8523 12.8791 12.8791 12.8988 12.8988 13.1929 13.1929 13.3821 13.3821 13.5058 13.5058 13.5091 13.5091 13.7655 13.7655 13.7733 13.7733 15.8899 15.8899 15.9004 15.9004 k = 0.0844 0.0844 0.0844 ( 1584 PWs) bands (ev): 4.6768 4.6768 8.9536 8.9536 8.9553 8.9553 9.0539 9.0539 9.5776 9.5776 9.5956 9.5956 9.5966 9.5966 11.2772 11.2772 11.3822 11.3822 11.5022 11.5022 12.4336 12.4336 12.4482 12.4482 12.8000 12.8000 12.8182 12.8182 12.8763 12.8763 13.1850 13.1850 13.3104 13.3104 13.4876 13.4876 13.4913 13.4913 13.7518 13.7518 13.7551 13.7551 15.9088 15.9088 15.9198 15.9198 k = 0.0909 0.0909 0.0909 ( 1584 PWs) bands (ev): 4.7202 4.7202 8.9702 8.9702 8.9723 8.9723 9.0693 9.0693 9.5916 9.5916 9.6097 9.6097 9.6107 9.6107 11.2669 11.2669 11.3898 11.3898 11.5101 11.5101 12.4280 12.4280 12.4450 12.4450 12.7414 12.7414 12.7544 12.7544 12.8549 12.8549 13.1745 13.1745 13.2389 13.2389 13.4682 13.4682 13.4713 13.4713 13.7380 13.7380 13.7392 13.7392 15.9271 15.9271 15.9385 15.9385 k = 0.0974 0.0974 0.0974 ( 1578 PWs) bands (ev): 4.7668 4.7668 8.9880 8.9880 8.9904 8.9904 9.0858 9.0858 9.6066 9.6066 9.6248 9.6248 9.6260 9.6260 11.2558 11.2558 11.3977 11.3977 11.5187 11.5187 12.4214 12.4214 12.4409 12.4409 12.6796 12.6796 12.6887 12.6887 12.8330 12.8330 13.1420 13.1420 13.1882 13.1882 13.4474 13.4474 13.4496 13.4496 13.7222 13.7222 13.7277 13.7277 15.9446 15.9446 15.9564 15.9564 k = 0.1039 0.1039 0.1039 ( 1578 PWs) bands (ev): 4.8163 4.8163 9.0068 9.0068 9.0096 9.0096 9.1032 9.1032 9.6223 9.6223 9.6406 9.6406 9.6420 9.6420 11.2439 11.2439 11.4057 11.4057 11.5278 11.5278 12.4140 12.4140 12.4363 12.4363 12.6154 12.6154 12.6211 12.6211 12.8097 12.8097 13.0722 13.0722 13.1737 13.1737 13.4250 13.4250 13.4261 13.4261 13.7077 13.7077 13.7172 13.7172 15.9611 15.9611 15.9731 15.9731 k = 0.1104 0.1104 0.1104 ( 1587 PWs) bands (ev): 4.8689 4.8689 9.0266 9.0266 9.0298 9.0298 9.1216 9.1216 9.6386 9.6386 9.6572 9.6572 9.6587 9.6587 11.2312 11.2312 11.4139 11.4139 11.5373 11.5373 12.4051 12.4051 12.4303 12.4303 12.5502 12.5502 12.5532 12.5532 12.7845 12.7845 12.9954 12.9954 13.1659 13.1659 13.4005 13.4005 13.4008 13.4008 13.6945 13.6945 13.7077 13.7077 15.9763 15.9763 15.9886 15.9886 k = 0.1169 0.1169 0.1169 ( 1584 PWs) bands (ev): 4.9245 4.9245 9.0474 9.0474 9.0512 9.0512 9.1410 9.1410 9.6560 9.6560 9.6750 9.6750 9.6765 9.6765 11.2178 11.2178 11.4221 11.4221 11.5472 11.5472 12.3925 12.3925 12.4190 12.4190 12.4871 12.4871 12.4892 12.4892 12.7580 12.7580 12.9174 12.9174 13.1592 13.1592 13.3737 13.3737 13.3754 13.3754 13.6826 13.6826 13.6992 13.6992 15.9901 15.9901 16.0028 16.0028 k = 0.1234 0.1234 0.1234 ( 1584 PWs) bands (ev): 4.9830 4.9830 9.0692 9.0692 9.0734 9.0734 9.1612 9.1612 9.6739 9.6739 9.6934 9.6934 9.6950 9.6950 11.2038 11.2038 11.4303 11.4303 11.5573 11.5573 12.3664 12.3664 12.3838 12.3838 12.4360 12.4360 12.4482 12.4482 12.7294 12.7294 12.8396 12.8396 13.1530 13.1530 13.3456 13.3456 13.3488 13.3488 13.6718 13.6718 13.6914 13.6914 16.0026 16.0026 16.0154 16.0154 k = 0.1299 0.1299 0.1299 ( 1587 PWs) bands (ev): 5.0445 5.0445 9.0916 9.0916 9.0964 9.0964 9.1821 9.1821 9.6923 9.6923 9.7124 9.7124 9.7139 9.7139 11.1894 11.1894 11.4385 11.4385 11.5676 11.5676 12.3144 12.3144 12.3204 12.3204 12.4101 12.4101 12.4350 12.4350 12.6976 12.6976 12.7638 12.7638 13.1468 13.1468 13.3164 13.3164 13.3211 13.3211 13.6622 13.6622 13.6844 13.6844 16.0134 16.0134 16.0265 16.0265 k = 0.1364 0.1364 0.1364 ( 1587 PWs) bands (ev): 5.1087 5.1087 9.1149 9.1149 9.1204 9.1204 9.2038 9.2038 9.7116 9.7116 9.7323 9.7323 9.7338 9.7338 11.1744 11.1744 11.4465 11.4465 11.5778 11.5778 12.2488 12.2488 12.2498 12.2498 12.3973 12.3973 12.4285 12.4285 12.6562 12.6562 12.6971 12.6971 13.1405 13.1405 13.2863 13.2863 13.2929 13.2929 13.6534 13.6534 13.6779 13.6779 16.0227 16.0227 16.0360 16.0360 k = 0.1429 0.1429 0.1429 ( 1581 PWs) bands (ev): 5.1758 5.1758 9.1390 9.1390 9.1452 9.1452 9.2263 9.2263 9.7314 9.7314 9.7531 9.7531 9.7544 9.7544 11.1591 11.1591 11.4542 11.4542 11.5879 11.5879 12.1775 12.1775 12.1793 12.1793 12.3880 12.3880 12.4237 12.4237 12.5929 12.5929 12.6522 12.6522 13.1339 13.1339 13.2558 13.2558 13.2647 13.2647 13.6455 13.6455 13.6720 13.6720 16.0303 16.0303 16.0437 16.0437 k = 0.1494 0.1494 0.1494 ( 1587 PWs) bands (ev): 5.2457 5.2457 9.1635 9.1635 9.1705 9.1705 9.2493 9.2493 9.7518 9.7518 9.7746 9.7746 9.7756 9.7756 11.1434 11.1434 11.4615 11.4615 11.5976 11.5976 12.1051 12.1051 12.1090 12.1090 12.3799 12.3799 12.4194 12.4194 12.5203 12.5203 12.6165 12.6165 13.1259 13.1259 13.2247 13.2247 13.2369 13.2369 13.6380 13.6380 13.6662 13.6662 16.0361 16.0361 16.0497 16.0497 k = 0.1558 0.1558 0.1558 ( 1587 PWs) bands (ev): 5.3182 5.3182 9.1886 9.1886 9.1964 9.1964 9.2727 9.2727 9.7727 9.7727 9.7967 9.7967 9.7975 9.7975 11.1276 11.1276 11.4684 11.4684 11.6069 11.6069 12.0330 12.0330 12.0387 12.0387 12.3719 12.3719 12.4152 12.4152 12.4472 12.4472 12.5820 12.5820 13.1165 13.1165 13.1936 13.1936 13.2106 13.2106 13.6314 13.6314 13.6610 13.6610 16.0401 16.0401 16.0538 16.0538 k = 0.1623 0.1623 0.1623 ( 1593 PWs) bands (ev): 5.3933 5.3933 9.2139 9.2139 9.2227 9.2227 9.2965 9.2965 9.7940 9.7940 9.8196 9.8196 9.8198 9.8198 11.1109 11.1109 11.4748 11.4748 11.6154 11.6154 11.9617 11.9617 11.9693 11.9693 12.3585 12.3585 12.3805 12.3805 12.4108 12.4108 12.5474 12.5474 13.1042 13.1042 13.1625 13.1625 13.1873 13.1873 13.6253 13.6253 13.6562 13.6562 16.0423 16.0423 16.0561 16.0561 k = 0.1688 0.1688 0.1688 ( 1593 PWs) bands (ev): 5.4710 5.4710 9.2395 9.2395 9.2492 9.2492 9.3205 9.3205 9.8158 9.8158 9.8428 9.8428 9.8431 9.8431 11.0949 11.0949 11.4806 11.4806 11.6228 11.6228 11.8916 11.8916 11.9013 11.9013 12.3000 12.3000 12.3610 12.3610 12.4064 12.4064 12.5123 12.5123 13.0877 13.0877 13.1320 13.1320 13.1686 13.1686 13.6196 13.6196 13.6516 13.6516 16.0426 16.0426 16.0565 16.0565 k = 0.1753 0.1753 0.1753 ( 1592 PWs) bands (ev): 5.5511 5.5511 9.2650 9.2650 9.2758 9.2758 9.3445 9.3445 9.8381 9.8381 9.8663 9.8663 9.8673 9.8673 11.0792 11.0792 11.4857 11.4857 11.6284 11.6284 11.8232 11.8232 11.8359 11.8359 12.2318 12.2318 12.3531 12.3531 12.4016 12.4016 12.4766 12.4766 13.0669 13.0669 13.1022 13.1022 13.1547 13.1547 13.6144 13.6144 13.6473 13.6473 16.0409 16.0409 16.0549 16.0549 k = 0.1818 0.1818 0.1818 ( 1592 PWs) bands (ev): 5.6337 5.6337 9.2903 9.2903 9.3023 9.3023 9.3683 9.3683 9.8609 9.8609 9.8903 9.8903 9.8922 9.8922 11.0634 11.0634 11.4898 11.4898 11.6306 11.6306 11.7567 11.7567 11.7747 11.7747 12.1653 12.1653 12.3457 12.3457 12.3962 12.3962 12.4405 12.4405 13.0431 13.0431 13.0735 13.0735 13.1447 13.1447 13.6095 13.6095 13.6432 13.6432 16.0373 16.0373 16.0514 16.0514 k = 0.1883 0.1883 0.1883 ( 1583 PWs) bands (ev): 5.7185 5.7185 9.3152 9.3152 9.3286 9.3286 9.3918 9.3918 9.8842 9.8842 9.9150 9.9150 9.9179 9.9179 11.0478 11.0478 11.4929 11.4929 11.6243 11.6243 11.6927 11.6927 11.7231 11.7231 12.1012 12.1012 12.3382 12.3382 12.3900 12.3900 12.4042 12.4042 13.0181 13.0181 13.0465 13.0465 13.1374 13.1374 13.6050 13.6050 13.6394 13.6394 16.0317 16.0317 16.0458 16.0458 k = 0.1948 0.1948 0.1948 ( 1583 PWs) bands (ev): 5.8056 5.8056 9.3394 9.3394 9.3540 9.3540 9.4145 9.4145 9.9081 9.9081 9.9401 9.9401 9.9442 9.9442 11.0327 11.0327 11.4943 11.4943 11.5986 11.5986 11.6322 11.6322 11.6925 11.6925 12.0400 12.0400 12.3302 12.3302 12.3673 12.3673 12.3827 12.3827 12.9929 12.9929 13.0211 13.0211 13.1314 13.1314 13.6007 13.6007 13.6356 13.6356 16.0241 16.0241 16.0383 16.0383 k = 0.2013 0.2013 0.2013 ( 1583 PWs) bands (ev): 5.8947 5.8947 9.3624 9.3624 9.3785 9.3785 9.4363 9.4363 9.9326 9.9326 9.9659 9.9659 9.9713 9.9713 11.0180 11.0180 11.4921 11.4921 11.5539 11.5539 11.5772 11.5772 11.6823 11.6823 11.9820 11.9820 12.3210 12.3210 12.3305 12.3305 12.3740 12.3740 12.9686 12.9686 12.9979 12.9979 13.1263 13.1263 13.5966 13.5966 13.6320 13.6320 16.0145 16.0145 16.0286 16.0286 k = 0.2078 0.2078 0.2078 ( 1583 PWs) bands (ev): 5.9858 5.9858 9.3842 9.3842 9.4017 9.4017 9.4567 9.4567 9.9578 9.9578 9.9924 9.9924 9.9993 9.9993 11.0041 11.0041 11.4788 11.4788 11.5034 11.5034 11.5356 11.5356 11.6800 11.6800 11.9274 11.9274 12.2918 12.2918 12.3127 12.3127 12.3637 12.3637 12.9459 12.9459 12.9772 12.9772 13.1219 13.1219 13.5927 13.5927 13.6285 13.6285 16.0027 16.0027 16.0169 16.0169 k = 0.2143 0.2143 0.2143 ( 1583 PWs) bands (ev): 6.0787 6.0787 9.4041 9.4041 9.4231 9.4231 9.4755 9.4755 9.9840 9.9840 10.0197 10.0197 10.0282 10.0282 10.9909 10.9909 11.4436 11.4436 11.4530 11.4530 11.5185 11.5185 11.6797 11.6797 11.8764 11.8764 12.2542 12.2542 12.3018 12.3018 12.3515 12.3515 12.9253 12.9253 12.9595 12.9595 13.1179 13.1179 13.5890 13.5890 13.6251 13.6251 15.9888 15.9888 16.0029 16.0029 k = 0.2208 0.2208 0.2208 ( 1586 PWs) bands (ev): 6.1734 6.1734 9.4220 9.4220 9.4424 9.4424 9.4922 9.4922 10.0111 10.0111 10.0479 10.0479 10.0580 10.0580 10.9787 10.9787 11.3995 11.3995 11.4049 11.4049 11.5133 11.5133 11.6795 11.6795 11.8291 11.8291 12.2164 12.2164 12.2896 12.2896 12.3373 12.3373 12.9073 12.9073 12.9449 12.9449 13.1143 13.1143 13.5855 13.5855 13.6218 13.6218 15.9727 15.9727 15.9868 15.9868 k = 0.2273 0.2273 0.2273 ( 1577 PWs) bands (ev): 6.2696 6.2696 9.4376 9.4376 9.4593 9.4593 9.5067 9.5067 10.0396 10.0396 10.0772 10.0772 10.0891 10.0891 10.9677 10.9677 11.3564 11.3564 11.3603 11.3603 11.5104 11.5104 11.6788 11.6788 11.7861 11.7861 12.1788 12.1788 12.2760 12.2760 12.3210 12.3210 12.8923 12.8923 12.9338 12.9338 13.1108 13.1108 13.5821 13.5821 13.6186 13.6186 15.9544 15.9544 15.9685 15.9685 k = 0.2338 0.2338 0.2338 ( 1577 PWs) bands (ev): 6.3671 6.3671 9.4501 9.4501 9.4730 9.4730 9.5184 9.5184 10.0693 10.0693 10.1077 10.1077 10.1214 10.1214 10.9580 10.9580 11.3166 11.3166 11.3196 11.3196 11.5078 11.5078 11.6773 11.6773 11.7473 11.7473 12.1410 12.1410 12.2603 12.2603 12.3022 12.3022 12.8805 12.8805 12.9259 12.9259 13.1076 13.1076 13.5790 13.5790 13.6155 13.6155 15.9338 15.9338 15.9479 15.9479 k = 0.2403 0.2403 0.2403 ( 1583 PWs) bands (ev): 6.4659 6.4659 9.4594 9.4594 9.4833 9.4833 9.5269 9.5269 10.1004 10.1004 10.1395 10.1395 10.1549 10.1549 10.9499 10.9499 11.2810 11.2810 11.2831 11.2831 11.5050 11.5050 11.6750 11.6750 11.7128 11.7128 12.1032 12.1032 12.2427 12.2427 12.2813 12.2813 12.8719 12.8719 12.9215 12.9215 13.1042 13.1042 13.5757 13.5757 13.6124 13.6124 15.9109 15.9109 15.9250 15.9250 k = 0.2468 0.2468 0.2468 ( 1589 PWs) bands (ev): 6.5656 6.5656 9.4652 9.4652 9.4899 9.4899 9.5323 9.5323 10.1332 10.1332 10.1728 10.1728 10.1899 10.1899 10.9436 10.9436 11.2500 11.2500 11.2512 11.2512 11.5014 11.5014 11.6712 11.6712 11.6831 11.6831 12.0658 12.0658 12.2231 12.2231 12.2582 12.2582 12.8665 12.8665 12.9201 12.9201 13.1012 13.1012 13.5728 13.5728 13.6095 13.6095 15.8857 15.8857 15.8997 15.8997 k = 0.2532 0.2532 0.2532 ( 1589 PWs) bands (ev): 6.6662 6.6662 9.4673 9.4673 9.4926 9.4926 9.5342 9.5342 10.1675 10.1675 10.2077 10.2077 10.2263 10.2263 10.9392 10.9392 11.2239 11.2239 11.2242 11.2242 11.4975 11.4975 11.6567 11.6567 11.6681 11.6681 12.0285 12.0285 12.2016 12.2016 12.2334 12.2334 12.8647 12.8647 12.9220 12.9220 13.0983 13.0983 13.5700 13.5700 13.6067 13.6067 15.8580 15.8580 15.8720 15.8720 k = 0.2597 0.2597 0.2597 ( 1589 PWs) bands (ev): 6.7673 6.7673 9.4655 9.4655 9.4911 9.4911 9.5326 9.5326 10.2035 10.2035 10.2442 10.2442 10.2642 10.2642 10.9371 10.9371 11.2021 11.2021 11.2029 11.2029 11.4931 11.4931 11.6360 11.6360 11.6630 11.6630 11.9917 11.9917 12.1785 12.1785 12.2070 12.2070 12.8660 12.8660 12.9267 12.9267 13.0956 13.0956 13.5674 13.5674 13.6040 13.6040 15.8279 15.8279 15.8418 15.8418 k = 0.2662 0.2662 0.2662 ( 1586 PWs) bands (ev): 6.8686 6.8686 9.4600 9.4600 9.4856 9.4856 9.5276 9.5276 10.2412 10.2412 10.2824 10.2824 10.3037 10.3037 10.9370 10.9370 11.1850 11.1850 11.1869 11.1869 11.4882 11.4882 11.6197 11.6197 11.6572 11.6572 11.9552 11.9552 12.1537 12.1537 12.1793 12.1793 12.8702 12.8702 12.9339 12.9339 13.0929 13.0929 13.5649 13.5649 13.6015 13.6015 15.7954 15.7954 15.8092 15.8092 k = 0.2727 0.2727 0.2727 ( 1586 PWs) bands (ev): 6.9700 6.9700 9.4505 9.4505 9.4759 9.4759 9.5191 9.5191 10.2803 10.2803 10.3220 10.3220 10.3444 10.3444 10.9401 10.9401 11.1729 11.1729 11.1759 11.1759 11.4828 11.4828 11.6078 11.6078 11.6509 11.6509 11.9192 11.9192 12.1277 12.1277 12.1505 12.1505 12.8772 12.8772 12.9435 12.9435 13.0903 13.0903 13.5625 13.5625 13.5990 13.5990 15.7603 15.7603 15.7740 15.7740 k = 0.2792 0.2792 0.2792 ( 1586 PWs) bands (ev): 7.0712 7.0712 9.4373 9.4373 9.4623 9.4623 9.5074 9.5074 10.3209 10.3209 10.3630 10.3630 10.3863 10.3863 10.9461 10.9461 11.1656 11.1656 11.1699 11.1699 11.4771 11.4771 11.6003 11.6003 11.6439 11.6439 11.8837 11.8837 12.1007 12.1007 12.1210 12.1210 12.8865 12.8865 12.9550 12.9550 13.0878 13.0878 13.5603 13.5603 13.5966 13.5966 15.7226 15.7226 15.7362 15.7362 k = 0.2857 0.2857 0.2857 ( 1586 PWs) bands (ev): 7.1717 7.1717 9.4208 9.4208 9.4451 9.4451 9.4926 9.4926 10.3628 10.3628 10.4052 10.4052 10.4294 10.4294 10.9552 10.9552 11.1632 11.1632 11.1686 11.1686 11.4710 11.4710 11.5971 11.5971 11.6363 11.6363 11.8489 11.8489 12.0728 12.0728 12.0909 12.0909 12.8979 12.8979 12.9682 12.9682 13.0853 13.0853 13.5582 13.5582 13.5944 13.5944 15.6824 15.6824 15.6959 15.6959 k = 0.2922 0.2922 0.2922 ( 1586 PWs) bands (ev): 7.2713 7.2713 9.4011 9.4011 9.4247 9.4247 9.4751 9.4751 10.4059 10.4059 10.4485 10.4485 10.4734 10.4734 10.9678 10.9678 11.1655 11.1655 11.1719 11.1719 11.4647 11.4647 11.5981 11.5981 11.6282 11.6282 11.8148 11.8148 12.0445 12.0445 12.0605 12.0605 12.9111 12.9111 12.9828 12.9828 13.0829 13.0829 13.5562 13.5562 13.5922 13.5922 15.6395 15.6395 15.6529 15.6529 k = 0.2987 0.2987 0.2987 ( 1586 PWs) bands (ev): 7.3696 7.3696 9.3786 9.3786 9.4014 9.4014 9.4551 9.4551 10.4500 10.4500 10.4926 10.4926 10.5180 10.5180 10.9840 10.9840 11.1722 11.1722 11.1795 11.1795 11.4582 11.4582 11.6031 11.6031 11.6197 11.6197 11.7815 11.7815 12.0158 12.0158 12.0301 12.0301 12.9258 12.9258 12.9986 12.9986 13.0807 13.0807 13.5543 13.5543 13.5902 13.5902 15.5940 15.5940 15.6073 15.6073 k = 0.3052 0.3052 0.3052 ( 1580 PWs) bands (ev): 7.4663 7.4663 9.3538 9.3538 9.3757 9.3757 9.4331 9.4331 10.4951 10.4951 10.5373 10.5373 10.5632 10.5632 11.0042 11.0042 11.1834 11.1834 11.1914 11.1914 11.4517 11.4517 11.6104 11.6104 11.6123 11.6123 11.7491 11.7491 11.9872 11.9872 11.9998 11.9998 12.9418 12.9418 13.0155 13.0155 13.0785 13.0785 13.5526 13.5526 13.5883 13.5883 15.5458 15.5458 15.5590 15.5590 k = 0.3117 0.3117 0.3117 ( 1580 PWs) bands (ev): 7.5610 7.5610 9.3269 9.3269 9.3479 9.3479 9.4091 9.4091 10.5406 10.5406 10.5820 10.5820 10.6084 10.6084 11.0284 11.0284 11.1987 11.1987 11.2071 11.2071 11.4453 11.4453 11.6014 11.6014 11.6244 11.6244 11.7178 11.7178 11.9588 11.9588 11.9699 11.9699 12.9587 12.9587 13.0331 13.0331 13.0764 13.0764 13.5510 13.5510 13.5866 13.5866 15.4951 15.4951 15.5081 15.5081 k = 0.3182 0.3182 0.3182 ( 1574 PWs) bands (ev): 7.6532 7.6532 9.2983 9.2983 9.3184 9.3184 9.3837 9.3837 10.5866 10.5866 10.6266 10.6266 10.6533 10.6533 11.0570 11.0570 11.2181 11.2181 11.2267 11.2267 11.4390 11.4390 11.5917 11.5917 11.6403 11.6403 11.6880 11.6880 11.9310 11.9310 11.9406 11.9406 12.9765 12.9765 13.0513 13.0513 13.0744 13.0744 13.5496 13.5496 13.5849 13.5849 15.4417 15.4417 15.4546 15.4546 k = 0.3247 0.3247 0.3247 ( 1580 PWs) bands (ev): 7.7426 7.7426 9.2685 9.2685 9.2877 9.2877 9.3570 9.3570 10.6327 10.6327 10.6705 10.6705 10.6975 10.6975 11.0900 11.0900 11.2411 11.2411 11.2493 11.2493 11.4332 11.4332 11.5815 11.5815 11.6540 11.6540 11.6649 11.6649 11.9041 11.9041 11.9119 11.9119 12.9944 12.9944 13.0696 13.0696 13.0725 13.0725 13.5482 13.5482 13.5834 13.5834 15.3858 15.3858 15.3985 15.3985 k = 0.3312 0.3312 0.3312 ( 1580 PWs) bands (ev): 7.8289 7.8289 9.2377 9.2377 9.2561 9.2561 9.3295 9.3295 10.6786 10.6786 10.7134 10.7134 10.7407 10.7407 11.1279 11.1279 11.2676 11.2676 11.2749 11.2749 11.4283 11.4283 11.5707 11.5707 11.6316 11.6316 11.6827 11.6827 11.8787 11.8787 11.8843 11.8843 13.0129 13.0129 13.0708 13.0708 13.0885 13.0885 13.5470 13.5470 13.5820 13.5820 15.3273 15.3273 15.3399 15.3399 k = 0.3377 0.3377 0.3377 ( 1580 PWs) bands (ev): 7.9117 7.9117 9.2062 9.2062 9.2238 9.2238 9.3014 9.3014 10.7242 10.7242 10.7549 10.7549 10.7826 10.7826 11.1706 11.1706 11.2972 11.2972 11.3023 11.3023 11.4252 11.4252 11.5589 11.5589 11.6082 11.6082 11.7064 11.7064 11.8558 11.8558 11.8579 11.8579 13.0313 13.0313 13.0696 13.0696 13.1076 13.1076 13.5459 13.5459 13.5807 13.5807 15.2663 15.2663 15.2787 15.2787 k = 0.3442 0.3442 0.3442 ( 1580 PWs) bands (ev): 7.9907 7.9907 9.1745 9.1745 9.1913 9.1913 9.2729 9.2729 10.7690 10.7690 10.7947 10.7947 10.8230 10.8230 11.2183 11.2183 11.3291 11.3291 11.3295 11.3295 11.4258 11.4258 11.5459 11.5459 11.5884 11.5884 11.7301 11.7301 11.8331 11.8331 11.8380 11.8380 13.0483 13.0483 13.0700 13.0700 13.1266 13.1266 13.5450 13.5450 13.5797 13.5797 15.2029 15.2029 15.2152 15.2152 k = 0.3506 0.3506 0.3506 ( 1586 PWs) bands (ev): 8.0656 8.0656 9.1426 9.1426 9.1587 9.1587 9.2443 9.2443 10.8126 10.8126 10.8324 10.8324 10.8616 10.8616 11.2707 11.2707 11.3517 11.3517 11.3611 11.3611 11.4342 11.4342 11.5323 11.5323 11.5732 11.5732 11.7470 11.7470 11.8104 11.8104 11.8321 11.8321 13.0583 13.0583 13.0774 13.0774 13.1455 13.1455 13.5442 13.5442 13.5787 13.5787 15.1370 15.1370 15.1492 15.1492 k = 0.3571 0.3571 0.3571 ( 1586 PWs) bands (ev): 8.1362 8.1362 9.1109 9.1109 9.1263 9.1263 9.2158 9.2158 10.8546 10.8546 10.8678 10.8678 10.8986 10.8986 11.3278 11.3278 11.3640 11.3640 11.3899 11.3899 11.4550 11.4550 11.5215 11.5215 11.5629 11.5629 11.7492 11.7492 11.7907 11.7907 11.8471 11.8471 13.0596 13.0596 13.0932 13.0932 13.1641 13.1641 13.5436 13.5436 13.5780 13.5780 15.0691 15.0691 15.0811 15.0811 k = 0.3636 0.3636 0.3636 ( 1586 PWs) bands (ev): 8.2023 8.2023 9.0796 9.0796 9.0943 9.0943 9.1876 9.1876 10.8944 10.8944 10.9007 10.9007 10.9341 10.9341 11.3676 11.3676 11.3879 11.3879 11.4087 11.4087 11.4854 11.4854 11.5182 11.5182 11.5591 11.5591 11.7423 11.7423 11.7755 11.7755 11.8790 11.8790 13.0589 13.0589 13.1109 13.1109 13.1822 13.1822 13.5431 13.5431 13.5774 13.5774 14.9990 14.9990 15.0108 15.0108 k = 0.3701 0.3701 0.3701 ( 1586 PWs) bands (ev): 8.2638 8.2638 9.0488 9.0488 9.0630 9.0630 9.1600 9.1600 10.9311 10.9311 10.9312 10.9312 10.9689 10.9689 11.3670 11.3670 11.4089 11.4089 11.4522 11.4522 11.5182 11.5182 11.5216 11.5216 11.5669 11.5669 11.7372 11.7372 11.7673 11.7673 11.9197 11.9197 13.0576 13.0576 13.1287 13.1287 13.1999 13.1999 13.5427 13.5427 13.5770 13.5770 14.9269 14.9269 14.9385 14.9385 k = 0.3766 0.3766 0.3766 ( 1586 PWs) bands (ev): 8.3207 8.3207 9.0187 9.0187 9.0323 9.0323 9.1330 9.1330 10.9587 10.9587 10.9642 10.9642 11.0032 11.0032 11.3647 11.3647 11.3999 11.3999 11.4967 11.4967 11.5394 11.5394 11.5468 11.5468 11.5871 11.5871 11.7422 11.7422 11.7700 11.7700 11.9662 11.9662 13.0563 13.0563 13.1461 13.1461 13.2169 13.2169 13.5425 13.5425 13.5768 13.5768 14.8529 14.8529 14.8645 14.8645 k = 0.3831 0.3831 0.3831 ( 1580 PWs) bands (ev): 8.3729 8.3729 8.9896 8.9896 9.0027 9.0027 9.1068 9.1068 10.9837 10.9837 10.9931 10.9931 11.0373 11.0373 11.3620 11.3620 11.3861 11.3861 11.5010 11.5010 11.5656 11.5656 11.5739 11.5739 11.6277 11.6277 11.7646 11.7646 11.7884 11.7884 12.0174 12.0174 13.0550 13.0550 13.1628 13.1628 13.2331 13.2331 13.5425 13.5425 13.5768 13.5768 14.7774 14.7774 14.7888 14.7888 k = 0.3896 0.3896 0.3896 ( 1580 PWs) bands (ev): 8.4206 8.4206 8.9614 8.9614 8.9740 8.9740 9.0816 9.0816 11.0061 11.0061 11.0185 11.0185 11.0707 11.0707 11.3592 11.3592 11.3704 11.3704 11.4962 11.4962 11.5727 11.5727 11.5810 11.5810 11.6969 11.6969 11.8046 11.8046 11.8231 11.8231 12.0728 12.0728 13.0537 13.0537 13.1788 13.1788 13.2484 13.2484 13.5426 13.5426 13.5771 13.5771 14.7003 14.7003 14.7115 14.7115 k = 0.3961 0.3961 0.3961 ( 1577 PWs) bands (ev): 8.4640 8.4640 8.9343 8.9343 8.9465 8.9465 9.0575 9.0575 11.0259 11.0259 11.0405 11.0405 11.1028 11.1028 11.3547 11.3547 11.3565 11.3565 11.4899 11.4899 11.5711 11.5711 11.5764 11.5764 11.7750 11.7750 11.8572 11.8572 11.8710 11.8710 12.1322 12.1322 13.0525 13.0525 13.1940 13.1940 13.2629 13.2629 13.5429 13.5429 13.5775 13.5775 14.6219 14.6219 14.6329 14.6329 k = 0.4026 0.4026 0.4026 ( 1574 PWs) bands (ev): 8.5033 8.5033 8.9084 8.9084 8.9203 8.9203 9.0346 9.0346 11.0433 11.0433 11.0597 11.0597 11.1333 11.1333 11.3397 11.3397 11.3543 11.3543 11.4833 11.4833 11.5648 11.5648 11.5676 11.5676 11.8562 11.8562 11.9178 11.9178 11.9279 11.9279 12.1955 12.1955 13.0513 13.0513 13.2078 13.2078 13.2758 13.2758 13.5432 13.5432 13.5781 13.5781 14.5424 14.5424 14.5532 14.5532 k = 0.4091 0.4091 0.4091 ( 1574 PWs) bands (ev): 8.5382 8.5382 8.8839 8.8839 8.8954 8.8954 9.0130 9.0130 11.0584 11.0584 11.0763 11.0763 11.1618 11.1618 11.3258 11.3258 11.3521 11.3521 11.4764 11.4764 11.5564 11.5564 11.5576 11.5576 11.9386 11.9386 11.9837 11.9837 11.9907 11.9907 12.2623 12.2623 13.0502 13.0502 13.2206 13.2206 13.2877 13.2877 13.5437 13.5437 13.5790 13.5790 14.4620 14.4620 14.4727 14.4727 k = 0.4156 0.4156 0.4156 ( 1574 PWs) bands (ev): 8.5691 8.5691 8.8608 8.8608 8.8719 8.8719 8.9929 8.9929 11.0713 11.0713 11.0902 11.0902 11.1881 11.1881 11.3134 11.3134 11.3501 11.3501 11.4695 11.4695 11.5474 11.5474 11.5477 11.5477 12.0212 12.0212 12.0538 12.0538 12.0579 12.0579 12.3323 12.3323 13.0491 13.0491 13.2322 13.2322 13.2982 13.2982 13.5443 13.5443 13.5800 13.5800 14.3811 14.3811 14.3916 14.3916 k = 0.4221 0.4221 0.4221 ( 1580 PWs) bands (ev): 8.5962 8.5962 8.8390 8.8390 8.8499 8.8499 8.9742 8.9742 11.0822 11.0822 11.1017 11.1017 11.2119 11.2119 11.3025 11.3025 11.3483 11.3483 11.4626 11.4626 11.5386 11.5386 11.5386 11.5386 12.1029 12.1029 12.1273 12.1273 12.1282 12.1282 12.4048 12.4048 13.0481 13.0481 13.2421 13.2421 13.3070 13.3070 13.5449 13.5449 13.5811 13.5811 14.2999 14.2999 14.3101 14.3101 k = 0.4286 0.4286 0.4286 ( 1592 PWs) bands (ev): 8.6199 8.6199 8.8188 8.8188 8.8294 8.8294 8.9571 8.9571 11.0911 11.0911 11.1106 11.1106 11.2329 11.2329 11.2937 11.2937 11.3464 11.3464 11.4559 11.4559 11.5305 11.5305 11.5306 11.5306 12.1831 12.1831 12.2009 12.2009 12.2038 12.2038 12.4789 12.4789 13.0471 13.0471 13.2504 13.2504 13.3139 13.3139 13.5456 13.5456 13.5824 13.5824 14.2188 14.2188 14.2287 14.2287 k = 0.4351 0.4351 0.4351 ( 1586 PWs) bands (ev): 8.6402 8.6402 8.8003 8.8003 8.8106 8.8106 8.9418 8.9418 11.0986 11.0986 11.1174 11.1174 11.2505 11.2505 11.2881 11.2881 11.3446 11.3446 11.4497 11.4497 11.5239 11.5239 11.5241 11.5241 12.2622 12.2622 12.2758 12.2758 12.2825 12.2825 12.5538 12.5538 13.0465 13.0465 13.2566 13.2566 13.3187 13.3187 13.5464 13.5464 13.5840 13.5840 14.1385 14.1385 14.1479 14.1479 k = 0.4416 0.4416 0.4416 ( 1586 PWs) bands (ev): 8.6575 8.6575 8.7834 8.7834 8.7934 8.7934 8.9283 8.9283 11.1047 11.1047 11.1220 11.1220 11.2622 11.2622 11.2874 11.2874 11.3427 11.3427 11.4441 11.4441 11.5184 11.5184 11.5188 11.5188 12.3408 12.3408 12.3521 12.3521 12.3615 12.3615 12.6281 12.6281 13.0458 13.0458 13.2604 13.2604 13.3208 13.3208 13.5469 13.5469 13.5855 13.5855 14.0595 14.0595 14.0682 14.0682 k = 0.4481 0.4481 0.4481 ( 1586 PWs) bands (ev): 8.6718 8.6718 8.7683 8.7683 8.7780 8.7780 8.9165 8.9165 11.1095 11.1095 11.1249 11.1249 11.2659 11.2659 11.2938 11.2938 11.3407 11.3407 11.4393 11.4393 11.5140 11.5140 11.5146 11.5146 12.4196 12.4196 12.4297 12.4297 12.4400 12.4400 12.7002 12.7002 13.0451 13.0451 13.2613 13.2613 13.3195 13.3195 13.5473 13.5473 13.5869 13.5869 13.9827 13.9827 13.9904 13.9904 k = 0.4545 0.4545 0.4545 ( 1586 PWs) bands (ev): 8.6835 8.6835 8.7549 8.7549 8.7643 8.7643 8.9066 8.9066 11.1133 11.1133 11.1262 11.1262 11.2655 11.2655 11.3030 11.3030 11.3387 11.3387 11.4355 11.4355 11.5107 11.5107 11.5114 11.5114 12.4986 12.4986 12.5082 12.5082 12.5172 12.5172 12.7689 12.7689 13.0445 13.0445 13.2584 13.2584 13.3140 13.3140 13.5474 13.5474 13.5882 13.5882 13.9094 13.9094 13.9155 13.9155 k = 0.4610 0.4610 0.4610 ( 1583 PWs) bands (ev): 8.6926 8.6926 8.7434 8.7434 8.7524 8.7524 8.8984 8.8984 11.1163 11.1163 11.1264 11.1264 11.2646 11.2646 11.3114 11.3114 11.3367 11.3367 11.4328 11.4328 11.5084 11.5084 11.5091 11.5091 12.5775 12.5775 12.5874 12.5874 12.5922 12.5922 12.8324 12.8324 13.0439 13.0439 13.2510 13.2510 13.3031 13.3031 13.5469 13.5469 13.5894 13.5894 13.8413 13.8413 13.8447 13.8447 k = 0.4675 0.4675 0.4675 ( 1583 PWs) bands (ev): 8.6994 8.6994 8.7338 8.7338 8.7422 8.7422 8.8918 8.8918 11.1185 11.1185 11.1259 11.1259 11.2639 11.2639 11.3180 11.3180 11.3348 11.3348 11.4312 11.4312 11.5068 11.5068 11.5074 11.5074 12.6560 12.6560 12.6642 12.6642 12.6667 12.6667 12.8895 12.8895 13.0435 13.0435 13.2372 13.2372 13.2849 13.2849 13.5457 13.5457 13.5902 13.5902 13.7793 13.7793 13.7803 13.7803 k = 0.4740 0.4740 0.4740 ( 1577 PWs) bands (ev): 8.7040 8.7040 8.7265 8.7265 8.7340 8.7340 8.8868 8.8868 11.1202 11.1202 11.1252 11.1252 11.2637 11.2637 11.3228 11.3228 11.3331 11.3331 11.4305 11.4305 11.5058 11.5058 11.5063 11.5063 12.7291 12.7291 12.7358 12.7358 12.7458 12.7458 12.9387 12.9387 13.0431 13.0431 13.2155 13.2155 13.2576 13.2576 13.5431 13.5431 13.5905 13.5905 13.7198 13.7198 13.7291 13.7291 k = 0.4805 0.4805 0.4805 ( 1571 PWs) bands (ev): 8.7062 8.7062 8.7217 8.7217 8.7275 8.7275 8.8832 8.8832 11.1214 11.1214 11.1244 11.1244 11.2636 11.2636 11.3262 11.3262 11.3317 11.3317 11.4305 11.4305 11.5053 11.5053 11.5056 11.5056 12.7891 12.7891 12.8116 12.8116 12.8242 12.8242 12.9788 12.9788 13.0427 13.0427 13.1846 13.1846 13.2198 13.2198 13.5386 13.5386 13.5901 13.5901 13.6662 13.6662 13.6896 13.6896 k = 0.4870 0.4870 0.4870 ( 1568 PWs) bands (ev): 8.7063 8.7063 8.7197 8.7197 8.7229 8.7229 8.8807 8.8807 11.1222 11.1222 11.1236 11.1236 11.2635 11.2635 11.3282 11.3282 11.3306 11.3306 11.4307 11.4307 11.5050 11.5050 11.5051 11.5051 12.8373 12.8373 12.8855 12.8855 12.9009 12.9009 13.0088 13.0088 13.0423 13.0423 13.1439 13.1439 13.1716 13.1716 13.5316 13.5316 13.5889 13.5889 13.6227 13.6227 13.6627 13.6627 k = 0.4935 0.4935 0.4935 ( 1568 PWs) bands (ev): 8.7054 8.7054 8.7192 8.7192 8.7201 8.7201 8.8793 8.8793 11.1227 11.1227 11.1230 11.1230 11.2635 11.2635 11.3293 11.3293 11.3299 11.3299 11.4309 11.4309 11.5049 11.5049 11.5049 11.5049 12.8692 12.8692 12.9543 12.9543 12.9747 12.9747 13.0274 13.0274 13.0412 13.0412 13.0958 13.0958 13.1145 13.1145 13.5233 13.5233 13.5875 13.5875 13.5955 13.5956 13.6479 13.6490 k = 0.5000 0.5000 0.5000 ( 1568 PWs) bands (ev): 8.7050 8.7050 8.7192 8.7192 8.7192 8.7192 8.8788 8.8788 11.1228 11.1228 11.1228 11.1228 11.2635 11.2635 11.3297 11.3297 11.3297 11.3297 11.4310 11.4310 11.5048 11.5048 11.5048 11.5048 12.8805 12.8805 13.0001 13.0001 13.0320 13.0320 13.0320 13.0320 13.0369 13.0369 13.0627 13.0627 13.0627 13.0627 13.5191 13.5191 13.5868 13.5868 13.5868 13.5868 13.6432 13.6432 k = 0.5000 0.5000 0.5000 ( 1568 PWs) bands (ev): 8.7050 8.7050 8.7192 8.7192 8.7192 8.7192 8.8788 8.8788 11.1228 11.1228 11.1228 11.1228 11.2635 11.2635 11.3297 11.3297 11.3297 11.3297 11.4310 11.4310 11.5048 11.5048 11.5048 11.5048 12.8805 12.8805 13.0001 13.0001 13.0320 13.0320 13.0320 13.0320 13.0369 13.0369 13.0627 13.0627 13.0627 13.0627 13.5191 13.5191 13.5868 13.5868 13.5868 13.5868 13.6432 13.6432 k = 0.4921 0.5000 0.4921 ( 1568 PWs) bands (ev): 8.7054 8.7054 8.7193 8.7193 8.7201 8.7201 8.8793 8.8793 11.1227 11.1227 11.1230 11.1230 11.2635 11.2635 11.3293 11.3293 11.3299 11.3299 11.4309 11.4309 11.5047 11.5047 11.5051 11.5051 12.8693 12.8693 12.9546 12.9546 12.9756 12.9756 13.0258 13.0258 13.0410 13.0410 13.0965 13.0965 13.1146 13.1146 13.5233 13.5233 13.5879 13.5879 13.5949 13.5949 13.6464 13.6465 k = 0.4841 0.5000 0.4841 ( 1568 PWs) bands (ev): 8.7065 8.7065 8.7196 8.7196 8.7228 8.7228 8.8807 8.8807 11.1223 11.1223 11.1235 11.1235 11.2635 11.2635 11.3283 11.3283 11.3306 11.3306 11.4306 11.4306 11.5043 11.5043 11.5058 11.5058 12.8374 12.8374 12.8861 12.8861 12.9038 12.9038 13.0025 13.0025 13.0416 13.0416 13.1461 13.1461 13.1741 13.1741 13.5317 13.5317 13.5900 13.5900 13.6190 13.6190 13.6575 13.6575 k = 0.4762 0.5000 0.4762 ( 1572 PWs) bands (ev): 8.7074 8.7074 8.7205 8.7205 8.7276 8.7276 8.8831 8.8831 11.1215 11.1215 11.1242 11.1242 11.2635 11.2635 11.3264 11.3264 11.3316 11.3316 11.4303 11.4303 11.5037 11.5037 11.5071 11.5071 12.7895 12.7895 12.8118 12.8118 12.8308 12.8308 12.9658 12.9658 13.0412 13.0412 13.1881 13.1881 13.2295 13.2295 13.5388 13.5388 13.5912 13.5912 13.6487 13.6487 13.6864 13.6864 k = 0.4683 0.5000 0.4683 ( 1578 PWs) bands (ev): 8.7074 8.7074 8.7224 8.7224 8.7348 8.7348 8.8867 8.8867 11.1204 11.1204 11.1251 11.1251 11.2636 11.2636 11.3234 11.3234 11.3330 11.3330 11.4303 11.4303 11.5030 11.5030 11.5090 11.5090 12.7297 12.7297 12.7348 12.7348 12.7572 12.7572 12.9179 12.9179 13.0405 13.0405 13.2201 13.2201 13.2806 13.2806 13.5429 13.5429 13.5914 13.5914 13.6693 13.6693 13.7424 13.7424 k = 0.4603 0.5000 0.4603 ( 1586 PWs) bands (ev): 8.7062 8.7062 8.7251 8.7251 8.7444 8.7444 8.8915 8.8915 11.1188 11.1188 11.1257 11.1257 11.2638 11.2638 11.3191 11.3191 11.3347 11.3347 11.4306 11.4306 11.5020 11.5020 11.5117 11.5117 12.6543 12.6543 12.6639 12.6639 12.6836 12.6836 12.8610 12.8610 13.0395 13.0395 13.2433 13.2433 13.3276 13.3276 13.5448 13.5448 13.5907 13.5907 13.6869 13.6869 13.8139 13.8139 k = 0.4524 0.5000 0.4524 ( 1586 PWs) bands (ev): 8.7041 8.7041 8.7283 8.7283 8.7564 8.7564 8.8979 8.8979 11.1168 11.1168 11.1262 11.1262 11.2644 11.2644 11.3134 11.3134 11.3366 11.3366 11.4318 11.4318 11.5013 11.5013 11.5154 11.5154 12.5750 12.5750 12.5899 12.5899 12.6114 12.6114 12.7970 12.7970 13.0383 13.0383 13.2595 13.2595 13.3701 13.3701 13.5451 13.5451 13.5894 13.5894 13.7035 13.7035 13.8947 13.8947 k = 0.4444 0.5000 0.4444 ( 1586 PWs) bands (ev): 8.7010 8.7010 8.7315 8.7315 8.7709 8.7709 8.9062 8.9062 11.1141 11.1141 11.1258 11.1258 11.2654 11.2654 11.3062 11.3062 11.3387 11.3387 11.4339 11.4339 11.5007 11.5007 11.5201 11.5201 12.4959 12.4959 12.5104 12.5104 12.5413 12.5413 12.7274 12.7274 13.0369 13.0369 13.2709 13.2709 13.4080 13.4080 13.5442 13.5442 13.5876 13.5876 13.7189 13.7189 13.9818 13.9819 k = 0.4365 0.5000 0.4365 ( 1590 PWs) bands (ev): 8.6972 8.6972 8.7342 8.7342 8.7875 8.7875 8.9163 8.9163 11.1105 11.1105 11.1242 11.1242 11.2670 11.2670 11.2975 11.2975 11.3407 11.3407 11.4370 11.4370 11.5003 11.5003 11.5258 11.5258 12.4175 12.4175 12.4272 12.4272 12.4730 12.4730 12.6534 12.6534 13.0352 13.0352 13.2787 13.2787 13.4415 13.4415 13.5423 13.5423 13.5853 13.5853 13.7326 13.7326 14.0737 14.0737 k = 0.4286 0.5000 0.4286 ( 1590 PWs) bands (ev): 8.6925 8.6925 8.7362 8.7362 8.8064 8.8064 8.9288 8.9288 11.1060 11.1060 11.1210 11.1210 11.2694 11.2694 11.2877 11.2877 11.3426 11.3426 11.4412 11.4412 11.5003 11.5003 11.5328 11.5328 12.3398 12.3398 12.3422 12.3422 12.4062 12.4062 12.5761 12.5761 13.0333 13.0333 13.2841 13.2841 13.4706 13.4706 13.5397 13.5397 13.5827 13.5827 13.7440 13.7440 14.1697 14.1697 k = 0.4206 0.5000 0.4206 ( 1590 PWs) bands (ev): 8.6868 8.6868 8.7372 8.7372 8.8275 8.8275 8.9436 8.9436 11.1001 11.1001 11.1158 11.1158 11.2712 11.2712 11.2786 11.2786 11.3443 11.3443 11.4466 11.4466 11.5007 11.5007 11.5412 11.5412 12.2544 12.2544 12.2649 12.2649 12.3410 12.3410 12.4967 12.4967 13.0312 13.0312 13.2877 13.2877 13.4955 13.4955 13.5365 13.5365 13.5797 13.5797 13.7531 13.7531 14.2691 14.2691 k = 0.4127 0.5000 0.4127 ( 1586 PWs) bands (ev): 8.6803 8.6803 8.7370 8.7370 8.8506 8.8506 8.9607 8.9607 11.0925 11.0925 11.1081 11.1081 11.2631 11.2631 11.2797 11.2797 11.3458 11.3458 11.4533 11.4533 11.5018 11.5018 11.5505 11.5505 12.1667 12.1667 12.1908 12.1908 12.2777 12.2777 12.4159 12.4159 13.0289 13.0289 13.2901 13.2901 13.5164 13.5164 13.5327 13.5327 13.5764 13.5764 13.7598 13.7598 14.3715 14.3715 k = 0.4048 0.5000 0.4048 ( 1582 PWs) bands (ev): 8.6727 8.6727 8.7353 8.7353 8.8758 8.8758 8.9803 8.9803 11.0826 11.0826 11.0982 11.0982 11.2513 11.2513 11.2851 11.2851 11.3472 11.3472 11.4609 11.4609 11.5035 11.5035 11.5609 11.5609 12.0788 12.0788 12.1188 12.1188 12.2163 12.2163 12.3348 12.3348 13.0265 13.0265 13.2915 13.2915 13.5279 13.5279 13.5337 13.5337 13.5728 13.5728 13.7639 13.7639 14.4766 14.4766 k = 0.3968 0.5000 0.3968 ( 1582 PWs) bands (ev): 8.6640 8.6640 8.7323 8.7323 8.9029 8.9029 9.0022 9.0022 11.0694 11.0694 11.0861 11.0861 11.2394 11.2394 11.2911 11.2911 11.3489 11.3489 11.4695 11.4695 11.5058 11.5058 11.5719 11.5719 11.9913 11.9913 12.0488 12.0488 12.1568 12.1568 12.2545 12.2545 13.0238 13.0238 13.2922 13.2922 13.5232 13.5232 13.5469 13.5469 13.5689 13.5689 13.7656 13.7656 14.5840 14.5840 k = 0.3889 0.5000 0.3889 ( 1582 PWs) bands (ev): 8.6540 8.6540 8.7276 8.7276 8.9320 8.9320 9.0264 9.0264 11.0524 11.0524 11.0724 11.0724 11.2278 11.2278 11.2967 11.2967 11.3514 11.3514 11.4788 11.4788 11.5088 11.5088 11.5830 11.5830 11.9051 11.9051 11.9813 11.9813 12.0993 12.0993 12.1762 12.1762 13.0209 13.0209 13.2922 13.2922 13.5178 13.5178 13.5565 13.5565 13.5649 13.5649 13.7649 13.7649 14.6937 14.6937 k = 0.3810 0.5000 0.3810 ( 1582 PWs) bands (ev): 8.6427 8.6427 8.7214 8.7214 8.9629 8.9629 9.0527 9.0527 11.0315 11.0315 11.0569 11.0569 11.2167 11.2167 11.3006 11.3006 11.3557 11.3557 11.4883 11.4883 11.5124 11.5124 11.5933 11.5933 11.8208 11.8208 11.9165 11.9165 12.0434 12.0434 12.1020 12.1020 13.0179 13.0179 13.2918 13.2918 13.5118 13.5118 13.5588 13.5588 13.5647 13.5647 13.7620 13.7620 14.8055 14.8055 k = 0.3730 0.5000 0.3730 ( 1582 PWs) bands (ev): 8.6299 8.6299 8.7135 8.7135 8.9957 8.9957 9.0810 9.0810 11.0072 11.0072 11.0396 11.0396 11.2061 11.2061 11.3014 11.3014 11.3625 11.3625 11.4971 11.4971 11.5164 11.5164 11.6015 11.6015 11.7399 11.7399 11.8549 11.8549 11.9883 11.9883 12.0348 12.0348 13.0147 13.0147 13.2910 13.2910 13.5054 13.5054 13.5544 13.5544 13.5680 13.5680 13.7570 13.7570 14.9192 14.9192 k = 0.3651 0.5000 0.3651 ( 1582 PWs) bands (ev): 8.6156 8.6156 8.7039 8.7039 9.0301 9.0301 9.1111 9.1111 10.9797 10.9797 11.0198 11.0198 11.1957 11.1957 11.2987 11.2987 11.3717 11.3717 11.5034 11.5034 11.5197 11.5197 11.6058 11.6058 11.6655 11.6655 11.7972 11.7972 11.9330 11.9330 11.9786 11.9786 13.0113 13.0113 13.2899 13.2899 13.4985 13.4985 13.5492 13.5492 13.5688 13.5688 13.7501 13.7501 15.0349 15.0349 k = 0.3571 0.5000 0.3571 ( 1590 PWs) bands (ev): 8.5993 8.5993 8.6922 8.6922 9.0662 9.0662 9.1430 9.1430 10.9496 10.9496 10.9975 10.9975 11.1852 11.1852 11.2921 11.2921 11.3817 11.3817 11.5021 11.5021 11.5173 11.5173 11.6012 11.6012 11.6098 11.6098 11.7447 11.7447 11.8791 11.8791 11.9355 11.9355 13.0078 13.0078 13.2883 13.2883 13.4910 13.4910 13.5435 13.5435 13.5671 13.5671 13.7414 13.7414 15.1524 15.1524 k = 0.3492 0.5000 0.3492 ( 1578 PWs) bands (ev): 8.5816 8.5816 8.6790 8.6790 9.1039 9.1039 9.1765 9.1765 10.9173 10.9173 10.9729 10.9729 11.1740 11.1740 11.2818 11.2818 11.3892 11.3892 11.4737 11.4737 11.5102 11.5102 11.5845 11.5845 11.5943 11.5943 11.7001 11.7001 11.8293 11.8293 11.9068 11.9068 13.0042 13.0042 13.2869 13.2869 13.4833 13.4833 13.5376 13.5376 13.5631 13.5631 13.7312 13.7312 15.2717 15.2717 k = 0.3413 0.5000 0.3413 ( 1578 PWs) bands (ev): 8.5619 8.5619 8.6637 8.6637 9.1430 9.1430 9.2114 9.2114 10.8831 10.8831 10.9458 10.9458 11.1604 11.1604 11.2666 11.2666 11.3798 11.3798 11.4373 11.4373 11.4997 11.4997 11.5756 11.5756 11.5881 11.5881 11.6677 11.6677 11.7838 11.7838 11.8931 11.8931 13.0004 13.0004 13.2850 13.2850 13.4749 13.4749 13.5312 13.5312 13.5568 13.5568 13.7195 13.7195 15.3927 15.3927 k = 0.3333 0.5000 0.3333 ( 1578 PWs) bands (ev): 8.5402 8.5402 8.6464 8.6464 9.1835 9.1835 9.2477 9.2477 10.8473 10.8473 10.9165 10.9165 11.1423 11.1423 11.2456 11.2456 11.3398 11.3398 11.4255 11.4255 11.4828 11.4828 11.5548 11.5548 11.5980 11.5980 11.6514 11.6514 11.7415 11.7415 11.8930 11.8930 12.9965 12.9965 13.2829 13.2829 13.4659 13.4659 13.5244 13.5244 13.5483 13.5483 13.7066 13.7066 15.5154 15.5154 k = 0.3254 0.5000 0.3254 ( 1578 PWs) bands (ev): 8.5164 8.5164 8.6269 8.6269 9.2254 9.2254 9.2852 9.2852 10.8103 10.8103 10.8851 10.8851 11.1167 11.1167 11.2184 11.2184 11.2960 11.2960 11.4127 11.4127 11.4627 11.4627 11.5416 11.5416 11.6082 11.6082 11.6505 11.6505 11.7020 11.7020 11.9033 11.9033 12.9926 12.9926 13.2806 13.2806 13.4565 13.4565 13.5171 13.5171 13.5379 13.5379 13.6928 13.6928 15.6397 15.6397 k = 0.3175 0.5000 0.3175 ( 1584 PWs) bands (ev): 8.4904 8.4904 8.6051 8.6051 9.2684 9.2684 9.3239 9.3239 10.7722 10.7722 10.8517 10.8517 11.0812 11.0812 11.1853 11.1853 11.2611 11.2611 11.3876 11.3876 11.4430 11.4430 11.5424 11.5424 11.6152 11.6152 11.6591 11.6591 11.6676 11.6676 11.9208 11.9208 12.9885 12.9885 13.2782 13.2782 13.4464 13.4464 13.5091 13.5091 13.5257 13.5257 13.6782 13.6782 15.7656 15.7656 k = 0.3095 0.5000 0.3095 ( 1572 PWs) bands (ev): 8.4624 8.4624 8.5813 8.5813 9.3127 9.3127 9.3636 9.3636 10.7338 10.7338 10.8170 10.8170 11.0373 11.0373 11.1468 11.1468 11.2369 11.2369 11.3550 11.3550 11.4254 11.4254 11.5542 11.5542 11.6090 11.6090 11.6461 11.6461 11.6768 11.6768 11.9432 11.9432 12.9847 12.9847 13.2756 13.2756 13.4359 13.4359 13.5006 13.5006 13.5122 13.5122 13.6633 13.6633 15.8931 15.8931 k = 0.3016 0.5000 0.3016 ( 1564 PWs) bands (ev): 8.4322 8.4322 8.5552 8.5552 9.3579 9.3579 9.4041 9.4041 10.6945 10.6945 10.7805 10.7805 10.9890 10.9890 11.1041 11.1041 11.2207 11.2207 11.3192 11.3192 11.4111 11.4111 11.5716 11.5716 11.5817 11.5817 11.6503 11.6503 11.6959 11.6959 11.9689 11.9689 12.9807 12.9807 13.2729 13.2729 13.4248 13.4248 13.4906 13.4906 13.4982 13.4982 13.6483 13.6483 16.0222 16.0222 k = 0.2937 0.5000 0.2937 ( 1564 PWs) bands (ev): 8.3999 8.3999 8.5268 8.5268 9.4040 9.4040 9.4453 9.4453 10.6550 10.6550 10.7428 10.7428 10.9392 10.9392 11.0590 11.0590 11.2094 11.2094 11.2827 11.2827 11.3998 11.3998 11.5494 11.5494 11.5931 11.5931 11.6614 11.6614 11.7170 11.7170 11.9969 11.9969 12.9766 12.9766 13.2700 13.2700 13.4129 13.4129 13.4770 13.4770 13.4852 13.4852 13.6333 13.6333 16.1527 16.1527 k = 0.2857 0.5000 0.2857 ( 1568 PWs) bands (ev): 8.3656 8.3656 8.4962 8.4962 9.4507 9.4507 9.4871 9.4871 10.6151 10.6151 10.7039 10.7039 10.8902 10.8902 11.0133 11.0133 11.2006 11.2006 11.2465 11.2465 11.3911 11.3911 11.5185 11.5185 11.6157 11.6157 11.6747 11.6747 11.7394 11.7394 12.0267 12.0267 12.9725 12.9725 13.2668 13.2668 13.4002 13.4002 13.4599 13.4599 13.4736 13.4736 13.6188 13.6188 16.2848 16.2848 k = 0.2778 0.5000 0.2778 ( 1564 PWs) bands (ev): 8.3292 8.3292 8.4634 8.4634 9.4983 9.4983 9.5296 9.5296 10.5755 10.5755 10.6646 10.6646 10.8431 10.8431 10.9684 10.9684 11.1929 11.1929 11.2117 11.2117 11.3842 11.3842 11.4898 11.4898 11.6396 11.6396 11.6894 11.6894 11.7628 11.7628 12.0578 12.0578 12.9686 12.9686 13.2634 13.2634 13.3868 13.3868 13.4412 13.4412 13.4616 13.4616 13.6052 13.6052 16.4184 16.4184 k = 0.2698 0.5000 0.2698 ( 1572 PWs) bands (ev): 8.2910 8.2910 8.4285 8.4285 9.5462 9.5462 9.5723 9.5723 10.5360 10.5360 10.6248 10.6248 10.7985 10.7985 10.9251 10.9251 11.1752 11.1752 11.1877 11.1877 11.3786 11.3786 11.4636 11.4636 11.6637 11.6637 11.7054 11.7054 11.7867 11.7867 12.0893 12.0893 12.9647 12.9647 13.2598 13.2598 13.3725 13.3725 13.4215 13.4215 13.4488 13.4488 13.5928 13.5928 16.5533 16.5533 k = 0.2619 0.5000 0.2619 ( 1572 PWs) bands (ev): 8.2511 8.2511 8.3917 8.3917 9.5947 9.5947 9.6156 9.6156 10.4969 10.4969 10.5849 10.5849 10.7566 10.7566 10.8839 10.8839 11.1425 11.1425 11.1796 11.1796 11.3734 11.3734 11.4412 11.4412 11.6879 11.6879 11.7228 11.7228 11.8114 11.8114 12.1215 12.1215 12.9610 12.9610 13.2556 13.2556 13.3573 13.3573 13.4010 13.4010 13.4351 13.4351 13.5818 13.5818 16.6897 16.6897 k = 0.2540 0.5000 0.2540 ( 1568 PWs) bands (ev): 8.2096 8.2096 8.3530 8.3530 9.6433 9.6433 9.6591 9.6591 10.4583 10.4583 10.5451 10.5451 10.7176 10.7176 10.8453 10.8453 11.1103 11.1103 11.1712 11.1712 11.3680 11.3680 11.4236 11.4236 11.7112 11.7112 11.7423 11.7423 11.8366 11.8366 12.1539 12.1539 12.9576 12.9576 13.2512 13.2512 13.3410 13.3410 13.3802 13.3802 13.4207 13.4207 13.5724 13.5724 16.8276 16.8276 k = 0.2460 0.5000 0.2460 ( 1568 PWs) bands (ev): 8.1667 8.1667 8.3127 8.3127 9.6916 9.6916 9.7032 9.7032 10.4204 10.4204 10.5054 10.5054 10.6815 10.6815 10.8092 10.8092 11.0789 11.0789 11.1612 11.1612 11.3615 11.3615 11.4118 11.4118 11.7328 11.7328 11.7644 11.7644 11.8621 11.8621 12.1860 12.1860 12.9544 12.9544 13.2456 13.2456 13.3238 13.3238 13.3595 13.3595 13.4055 13.4055 13.5647 13.5647 16.9668 16.9668 k = 0.2381 0.5000 0.2381 ( 1570 PWs) bands (ev): 8.1226 8.1226 8.2708 8.2708 9.7389 9.7389 9.7484 9.7484 10.3831 10.3831 10.4662 10.4662 10.6482 10.6482 10.7759 10.7759 11.0485 11.0485 11.1493 11.1493 11.3544 11.3544 11.4056 11.4056 11.7526 11.7526 11.7889 11.7889 11.8877 11.8877 12.2175 12.2175 12.9514 12.9514 13.2385 13.2385 13.3055 13.3055 13.3391 13.3391 13.3899 13.3899 13.5588 13.5588 17.1074 17.1074 k = 0.2302 0.5000 0.2302 ( 1570 PWs) bands (ev): 8.0777 8.0777 8.2278 8.2278 9.7842 9.7842 9.7954 9.7954 10.3466 10.3466 10.4275 10.4275 10.6176 10.6176 10.7451 10.7451 11.0190 11.0190 11.1351 11.1351 11.3481 11.3481 11.4039 11.4039 11.7711 11.7711 11.8152 11.8152 11.9132 11.9132 12.2481 12.2481 12.9488 12.9488 13.2292 13.2292 13.2868 13.2868 13.3200 13.3200 13.3741 13.3741 13.5548 13.5548 17.2493 17.2493 k = 0.2222 0.5000 0.2222 ( 1570 PWs) bands (ev): 8.0320 8.0320 8.1838 8.1838 9.8278 9.8278 9.8436 9.8436 10.3110 10.3110 10.3896 10.3896 10.5895 10.5895 10.7170 10.7170 10.9904 10.9904 11.1188 11.1188 11.3439 11.3439 11.4053 11.4053 11.7889 11.7889 11.8427 11.8427 11.9387 11.9387 12.2774 12.2774 12.9465 12.9465 13.2166 13.2166 13.2681 13.2681 13.3027 13.3027 13.3583 13.3583 13.5525 13.5525 17.3926 17.3926 k = 0.2143 0.5000 0.2143 ( 1562 PWs) bands (ev): 7.9858 7.9858 8.1390 8.1390 9.8705 9.8705 9.8920 9.8920 10.2766 10.2766 10.3526 10.3526 10.5638 10.5638 10.6914 10.6914 10.9629 10.9629 11.1008 11.1008 11.3422 11.3422 11.4090 11.4090 11.8062 11.8062 11.8709 11.8709 11.9638 11.9638 12.3050 12.3050 12.9447 12.9447 13.2000 13.2000 13.2496 13.2496 13.2882 13.2882 13.3427 13.3427 13.5523 13.5523 17.5373 17.5373 k = 0.2063 0.5000 0.2063 ( 1574 PWs) bands (ev): 7.9394 7.9394 8.0937 8.0937 9.9121 9.9121 9.9401 9.9401 10.2426 10.2426 10.3160 10.3160 10.5404 10.5404 10.6681 10.6681 10.9356 10.9356 11.0809 11.0809 11.3430 11.3430 11.4144 11.4144 11.8232 11.8232 11.8995 11.8995 11.9882 11.9882 12.3305 12.3305 12.9432 12.9432 13.1795 13.1795 13.2309 13.2309 13.2767 13.2767 13.3273 13.3273 13.5537 13.5537 17.6831 17.6831 k = 0.1984 0.5000 0.1984 ( 1572 PWs) bands (ev): 7.8930 7.8930 8.0481 8.0481 9.9531 9.9531 9.9877 9.9877 10.2104 10.2104 10.2809 10.2809 10.5192 10.5192 10.6471 10.6471 10.9096 10.9096 11.0603 11.0603 11.3463 11.3463 11.4215 11.4215 11.8399 11.8399 11.9286 11.9286 12.0121 12.0121 12.3536 12.3536 12.9422 12.9422 13.1561 13.1561 13.2119 13.2119 13.2679 13.2679 13.3123 13.3123 13.5571 13.5571 17.8302 17.8302 k = 0.1905 0.5000 0.1905 ( 1572 PWs) bands (ev): 7.8467 7.8467 8.0024 8.0024 9.9927 9.9927 10.0343 10.0343 10.1800 10.1800 10.2471 10.2471 10.4997 10.4997 10.6280 10.6280 10.8844 10.8844 11.0390 11.0390 11.3516 11.3516 11.4300 11.4300 11.8564 11.8564 11.9578 11.9578 12.0350 12.0350 12.3739 12.3739 12.9415 12.9415 13.1308 13.1308 13.1928 13.1928 13.2608 13.2608 13.2979 13.2979 13.5626 13.5626 17.9784 17.9784 k = 0.1825 0.5000 0.1825 ( 1572 PWs) bands (ev): 7.8009 7.8009 7.9570 7.9570 10.0304 10.0304 10.0787 10.0787 10.1528 10.1528 10.2151 10.2151 10.4820 10.4820 10.6107 10.6107 10.8600 10.8600 11.0174 11.0174 11.3588 11.3588 11.4399 11.4399 11.8726 11.8726 11.9873 11.9873 12.0569 12.0569 12.3911 12.3911 12.9412 12.9412 13.1042 13.1042 13.1738 13.1738 13.2545 13.2545 13.2843 13.2843 13.5700 13.5700 18.1278 18.1278 k = 0.1746 0.5000 0.1746 ( 1572 PWs) bands (ev): 7.7557 7.7557 7.9119 7.9119 10.0620 10.0620 10.1120 10.1120 10.1391 10.1391 10.1873 10.1873 10.4659 10.4659 10.5952 10.5952 10.8365 10.8365 10.9959 10.9959 11.3675 11.3675 11.4512 11.4512 11.8885 11.8885 12.0169 12.0169 12.0776 12.0776 12.4048 12.4048 12.9411 12.9411 13.0768 13.0768 13.1554 13.1554 13.2482 13.2482 13.2723 13.2723 13.5794 13.5794 18.2784 18.2784 k = 0.1667 0.5000 0.1667 ( 1568 PWs) bands (ev): 7.7113 7.7113 7.8676 7.8676 10.0694 10.0694 10.1219 10.1219 10.1458 10.1458 10.1878 10.1878 10.4512 10.4512 10.5811 10.5811 10.8139 10.8139 10.9746 10.9746 11.3777 11.3777 11.4638 11.4638 11.9041 11.9041 12.0465 12.0465 12.0971 12.0971 12.4150 12.4150 12.9410 12.9410 13.0488 13.0488 13.1378 13.1378 13.2408 13.2408 13.2625 13.2625 13.5909 13.5909 18.4299 18.4299 k = 0.1587 0.5000 0.1587 ( 1584 PWs) bands (ev): 7.6678 7.6678 7.8240 7.8240 10.0510 10.0510 10.1128 10.1128 10.1600 10.1600 10.2245 10.2245 10.4378 10.4378 10.5685 10.5685 10.7920 10.7920 10.9535 10.9535 11.3887 11.3887 11.4772 11.4772 11.9191 11.9191 12.0759 12.0759 12.1149 12.1149 12.4210 12.4210 12.9405 12.9405 13.0205 13.0205 13.1211 13.1211 13.2319 13.2319 13.2553 13.2553 13.6041 13.6041 18.5824 18.5824 k = 0.1508 0.5000 0.1508 ( 1584 PWs) bands (ev): 7.6256 7.6256 7.7815 7.7815 10.0277 10.0277 10.0873 10.0873 10.1920 10.1920 10.2657 10.2657 10.4256 10.4256 10.5571 10.5571 10.7712 10.7712 10.9330 10.9330 11.4012 11.4012 11.4923 11.4923 11.9339 11.9339 12.1054 12.1054 12.1315 12.1315 12.4234 12.4234 12.9395 12.9395 12.9923 12.9923 13.1056 13.1056 13.2225 13.2225 13.2503 13.2503 13.6193 13.6193 18.7359 18.7359 k = 0.1429 0.5000 0.1429 ( 1592 PWs) bands (ev): 7.5846 7.5846 7.7402 7.7402 10.0042 10.0042 10.0612 10.0612 10.2252 10.2252 10.3065 10.3065 10.4142 10.4142 10.5466 10.5466 10.7513 10.7513 10.9132 10.9132 11.4144 11.4144 11.5084 11.5084 11.9479 11.9479 12.1337 12.1337 12.1474 12.1474 12.4219 12.4219 12.9369 12.9369 12.9649 12.9649 13.0912 13.0912 13.2135 13.2135 13.2464 13.2464 13.6361 13.6361 18.8901 18.8901 k = 0.1349 0.5000 0.1349 ( 1592 PWs) bands (ev): 7.5452 7.5452 7.7003 7.7003 9.9814 9.9814 10.0361 10.0361 10.2576 10.2576 10.3462 10.3462 10.4041 10.4041 10.5375 10.5375 10.7323 10.7323 10.8941 10.8941 11.4285 11.4285 11.5258 11.5258 11.9616 11.9616 12.1552 12.1552 12.1686 12.1686 12.4167 12.4167 12.9276 12.9276 12.9434 12.9434 13.0780 13.0780 13.2057 13.2057 13.2434 13.2434 13.6543 13.6543 19.0450 19.0450 k = 0.1270 0.5000 0.1270 ( 1592 PWs) bands (ev): 7.5073 7.5073 7.6619 7.6619 9.9596 9.9596 10.0121 10.0121 10.2890 10.2890 10.3838 10.3838 10.3956 10.3956 10.5295 10.5295 10.7144 10.7144 10.8758 10.8758 11.4432 11.4432 11.5444 11.5444 11.9748 11.9748 12.1680 12.1680 12.1968 12.1968 12.4080 12.4080 12.9039 12.9039 12.9350 12.9350 13.0659 13.0659 13.1996 13.1996 13.2408 13.2408 13.6737 13.6737 19.2004 19.2004 k = 0.1190 0.5000 0.1190 ( 1592 PWs) bands (ev): 7.4712 7.4712 7.6252 7.6252 9.9390 9.9390 9.9893 9.9893 10.3189 10.3189 10.3862 10.3862 10.4215 10.4215 10.5226 10.5226 10.6974 10.6974 10.8584 10.8584 11.4585 11.4585 11.5639 11.5639 11.9874 11.9874 12.1781 12.1781 12.2258 12.2258 12.3961 12.3961 12.8771 12.8771 12.9285 12.9285 13.0547 13.0547 13.1956 13.1956 13.2383 13.2383 13.6940 13.6940 19.3562 19.3562 k = 0.1111 0.5000 0.1111 ( 1592 PWs) bands (ev): 7.4370 7.4370 7.5903 7.5903 9.9196 9.9196 9.9680 9.9680 10.3472 10.3472 10.3787 10.3787 10.4557 10.4557 10.5171 10.5171 10.6815 10.6815 10.8419 10.8419 11.4741 11.4741 11.5845 11.5845 11.9994 11.9994 12.1863 12.1863 12.2551 12.2551 12.3814 12.3814 12.8502 12.8502 12.9208 12.9208 13.0442 13.0442 13.1937 13.1937 13.2363 13.2363 13.7148 13.7148 19.5121 19.5121 k = 0.1032 0.5000 0.1032 ( 1592 PWs) bands (ev): 7.4047 7.4047 7.5574 7.5574 9.9015 9.9015 9.9480 9.9480 10.3711 10.3711 10.3744 10.3744 10.4852 10.4852 10.5152 10.5152 10.6667 10.6667 10.8264 10.8264 11.4899 11.4899 11.6060 11.6060 12.0107 12.0107 12.1930 12.1930 12.2841 12.2841 12.3642 12.3642 12.8238 12.8238 12.9112 12.9112 13.0345 13.0345 13.1940 13.1940 13.2345 13.2345 13.7358 13.7358 19.6678 19.6678 k = 0.0952 0.5000 0.0952 ( 1586 PWs) bands (ev): 7.3744 7.3744 7.5265 7.5265 9.8848 9.8848 9.9297 9.9297 10.3656 10.3656 10.3984 10.3984 10.4978 10.4978 10.5293 10.5293 10.6531 10.6531 10.8120 10.8120 11.5058 11.5058 11.6284 11.6284 12.0213 12.0213 12.1985 12.1985 12.3121 12.3121 12.3458 12.3458 12.7981 12.7981 12.8998 12.8998 13.0253 13.0253 13.1962 13.1962 13.2330 13.2330 13.7569 13.7569 19.8230 19.8230 k = 0.0873 0.5000 0.0873 ( 1586 PWs) bands (ev): 7.3462 7.3462 7.4977 7.4977 9.8692 9.8692 9.9125 9.9125 10.3600 10.3600 10.4206 10.4206 10.4971 10.4971 10.5554 10.5554 10.6407 10.6407 10.7987 10.7987 11.5215 11.5215 11.6515 11.6515 12.0311 12.0311 12.2026 12.2026 12.3195 12.3195 12.3460 12.3460 12.7735 12.7735 12.8866 12.8866 13.0168 13.0168 13.2000 13.2000 13.2316 13.2316 13.7774 13.7774 19.9771 19.9771 k = 0.0794 0.5000 0.0794 ( 1586 PWs) bands (ev): 7.3203 7.3203 7.4712 7.4712 9.8550 9.8550 9.8969 9.8969 10.3549 10.3549 10.4400 10.4400 10.4954 10.4954 10.5816 10.5816 10.6296 10.6296 10.7866 10.7866 11.5369 11.5369 11.6753 11.6753 12.0401 12.0401 12.2057 12.2057 12.2985 12.2985 12.3729 12.3729 12.7500 12.7500 12.8718 12.8718 13.0089 13.0089 13.2049 13.2049 13.2304 13.2304 13.7972 13.7972 20.1297 20.1297 k = 0.0714 0.5000 0.0714 ( 1590 PWs) bands (ev): 7.2966 7.2966 7.4469 7.4469 9.8419 9.8419 9.8824 9.8824 10.3504 10.3504 10.4554 10.4554 10.4955 10.4955 10.6056 10.6056 10.6200 10.6200 10.7757 10.7757 11.5517 11.5517 11.6996 11.6996 12.0483 12.0483 12.2079 12.2079 12.2748 12.2748 12.4010 12.4010 12.7279 12.7279 12.8554 12.8554 13.0016 13.0016 13.2104 13.2104 13.2295 13.2295 13.8160 13.8160 20.2797 20.2797 k = 0.0635 0.5000 0.0635 ( 1590 PWs) bands (ev): 7.2753 7.2753 7.4251 7.4251 9.8303 9.8303 9.8697 9.8697 10.3464 10.3464 10.4650 10.4650 10.4994 10.4994 10.6110 10.6110 10.6283 10.6283 10.7663 10.7663 11.5659 11.5659 11.7243 11.7243 12.0555 12.0555 12.2093 12.2093 12.2503 12.2503 12.4289 12.4289 12.7074 12.7074 12.8376 12.8376 12.9951 12.9951 13.2161 13.2161 13.2290 13.2290 13.8336 13.8336 20.4262 20.4262 k = 0.0556 0.5000 0.0556 ( 1594 PWs) bands (ev): 7.2564 7.2564 7.4056 7.4056 9.8200 9.8200 9.8584 9.8584 10.3430 10.3430 10.4689 10.4689 10.5069 10.5069 10.6044 10.6044 10.6472 10.6472 10.7583 10.7583 11.5790 11.5790 11.7491 11.7491 12.0616 12.0616 12.2098 12.2098 12.2258 12.2258 12.4564 12.4564 12.6887 12.6887 12.8187 12.8187 12.9893 12.9893 13.2209 13.2209 13.2295 13.2295 13.8495 13.8495 20.5675 20.5675 k = 0.0476 0.5000 0.0476 ( 1586 PWs) bands (ev): 7.2399 7.2399 7.3887 7.3887 9.8114 9.8114 9.8489 9.8489 10.3400 10.3400 10.4695 10.4695 10.5153 10.5153 10.5998 10.5998 10.6634 10.6634 10.7523 10.7523 11.5910 11.5910 11.7739 11.7739 12.0664 12.0664 12.2001 12.2001 12.2117 12.2117 12.4833 12.4833 12.6723 12.6723 12.7988 12.7988 12.9843 12.9843 13.2234 13.2234 13.2325 13.2325 13.8641 13.8641 20.7016 20.7016 k = 0.0397 0.5000 0.0397 ( 1586 PWs) bands (ev): 7.2259 7.2259 7.3743 7.3743 9.8039 9.8039 9.8406 9.8406 10.3375 10.3375 10.4690 10.4690 10.5225 10.5225 10.5967 10.5967 10.6762 10.6762 10.7480 10.7480 11.6016 11.6016 11.7982 11.7982 12.0698 12.0698 12.1772 12.1772 12.2114 12.2114 12.5094 12.5094 12.6584 12.6584 12.7780 12.7780 12.9800 12.9800 13.2238 13.2238 13.2369 13.2369 13.8765 13.8765 20.8253 20.8253 k = 0.0317 0.5000 0.0317 ( 1586 PWs) bands (ev): 7.2143 7.2143 7.3624 7.3624 9.7977 9.7977 9.8338 9.8338 10.3355 10.3355 10.4681 10.4681 10.5277 10.5277 10.5954 10.5954 10.6855 10.6855 10.7458 10.7458 11.6106 11.6106 11.8214 11.8214 12.0710 12.0710 12.1562 12.1562 12.2112 12.2112 12.5341 12.5341 12.6475 12.6475 12.7567 12.7567 12.9765 12.9765 13.2237 13.2237 13.2413 13.2413 13.8869 13.8869 20.9344 20.9344 k = 0.0238 0.5000 0.0238 ( 1586 PWs) bands (ev): 7.2054 7.2054 7.3532 7.3532 9.7929 9.7929 9.8286 9.8286 10.3339 10.3339 10.4673 10.4673 10.5310 10.5310 10.5952 10.5952 10.6914 10.6914 10.7455 10.7455 11.6178 11.6178 11.8425 11.8425 12.0696 12.0696 12.1390 12.1390 12.2111 12.2111 12.5563 12.5563 12.6407 12.6407 12.7352 12.7352 12.9737 12.9737 13.2235 13.2235 13.2450 13.2450 13.8951 13.8951 21.0230 21.0231 k = 0.0159 0.5000 0.0159 ( 1586 PWs) bands (ev): 7.1989 7.1989 7.3466 7.3466 9.7895 9.7895 9.8248 9.8248 10.3328 10.3328 10.4667 10.4667 10.5329 10.5329 10.5958 10.5958 10.6947 10.6947 10.7462 10.7462 11.6231 11.6231 11.8602 11.8602 12.0656 12.0656 12.1272 12.1272 12.2109 12.2109 12.5740 12.5740 12.6397 12.6397 12.7140 12.7140 12.9717 12.9717 13.2233 13.2233 13.2478 13.2478 13.9011 13.9011 21.0858 21.0858 k = 0.0079 0.5000 0.0079 ( 1594 PWs) bands (ev): 7.1950 7.1950 7.3426 7.3426 9.7875 9.7875 9.8225 9.8225 10.3318 10.3318 10.4660 10.4660 10.5337 10.5337 10.5964 10.5964 10.6962 10.6962 10.7472 10.7472 11.6260 11.6260 11.8720 11.8720 12.0607 12.0607 12.1209 12.1209 12.2108 12.2108 12.5844 12.5844 12.6454 12.6454 12.6949 12.6949 12.9705 12.9705 13.2232 13.2232 13.2495 13.2495 13.9046 13.9046 21.1214 21.1214 k = 0.0000 0.5000-0.0000 ( 1622 PWs) bands (ev): 7.1937 7.1937 7.3412 7.3412 9.7868 9.7868 9.8218 9.8218 10.3309 10.3309 10.4652 10.4652 10.5339 10.5339 10.5966 10.5966 10.6966 10.6966 10.7475 10.7475 11.6266 11.6266 11.8760 11.8760 12.0580 12.0580 12.1186 12.1186 12.2107 12.2107 12.5871 12.5871 12.6507 12.6507 12.6843 12.6843 12.9700 12.9700 13.2224 13.2224 13.2501 13.2501 13.9058 13.9058 21.1326 21.1327 k = 0.5000 0.5000-0.0000 ( 1596 PWs) bands (ev): 9.1767 9.1767 9.2043 9.2043 9.2045 9.2045 9.4033 9.4033 10.5635 10.5635 10.5699 10.5699 10.7158 10.7158 10.7625 10.7625 10.8092 10.8092 10.8162 10.8162 10.9878 10.9878 11.1362 11.1362 11.8405 11.8405 11.8830 11.8830 11.8898 11.8898 12.2527 12.2527 12.3382 12.3382 12.7545 12.7545 12.8808 12.8808 12.8923 12.8923 14.4943 14.4943 14.4961 14.4961 15.0953 15.0953 k = 0.5000 0.5000 0.0111 ( 1596 PWs) bands (ev): 9.1759 9.1759 9.2035 9.2035 9.2037 9.2037 9.4023 9.4023 10.5656 10.5656 10.5714 10.5714 10.7168 10.7168 10.7628 10.7628 10.8104 10.8104 10.8181 10.8181 10.9886 10.9886 11.1367 11.1367 11.8386 11.8386 11.8820 11.8820 11.8888 11.8888 12.2502 12.2502 12.3402 12.3402 12.7572 12.7572 12.8820 12.8820 12.8935 12.8935 14.4939 14.4939 14.4957 14.4957 15.0948 15.0948 k = 0.5000 0.5000 0.0222 ( 1596 PWs) bands (ev): 9.1734 9.1734 9.2011 9.2011 9.2012 9.2012 9.3990 9.3990 10.5717 10.5717 10.5761 10.5761 10.7195 10.7195 10.7637 10.7637 10.8139 10.8139 10.8238 10.8238 10.9910 10.9910 11.1382 11.1382 11.8329 11.8329 11.8792 11.8792 11.8860 11.8860 12.2429 12.2429 12.3459 12.3459 12.7648 12.7648 12.8854 12.8854 12.8968 12.8968 14.4927 14.4927 14.4945 14.4945 15.0933 15.0933 k = 0.5000 0.5000 0.0333 ( 1604 PWs) bands (ev): 9.1694 9.1694 9.1971 9.1971 9.1971 9.1971 9.3937 9.3937 10.5819 10.5819 10.5838 10.5838 10.7241 10.7241 10.7654 10.7654 10.8198 10.8198 10.8329 10.8329 10.9949 10.9949 11.1406 11.1406 11.8237 11.8237 11.8744 11.8744 11.8812 11.8812 12.2310 12.2310 12.3548 12.3548 12.7769 12.7769 12.8909 12.8909 12.9022 12.9022 14.4906 14.4906 14.4924 14.4924 15.0907 15.0907 k = 0.5000 0.5000 0.0444 ( 1604 PWs) bands (ev): 9.1639 9.1639 9.1914 9.1914 9.1916 9.1916 9.3865 9.3865 10.5945 10.5945 10.5959 10.5959 10.7304 10.7304 10.7684 10.7684 10.8282 10.8282 10.8452 10.8452 11.0004 11.0004 11.1440 11.1440 11.8115 11.8115 11.8677 11.8677 11.8747 11.8747 12.2155 12.2155 12.3672 12.3672 12.7932 12.7932 12.8987 12.8987 12.9099 12.9099 14.4877 14.4877 14.4896 14.4896 15.0871 15.0871 k = 0.5000 0.5000 0.0556 ( 1612 PWs) bands (ev): 9.1568 9.1568 9.1842 9.1842 9.1846 9.1846 9.3774 9.3774 10.6080 10.6080 10.6136 10.6136 10.7381 10.7381 10.7728 10.7728 10.8390 10.8390 10.8603 10.8603 11.0075 11.0075 11.1484 11.1484 11.7967 11.7967 11.8590 11.8590 11.8664 11.8664 12.1968 12.1968 12.3823 12.3823 12.8126 12.8126 12.9085 12.9085 12.9195 12.9195 14.4838 14.4838 14.4857 14.4857 15.0823 15.0823 k = 0.5000 0.5000 0.0667 ( 1604 PWs) bands (ev): 9.1485 9.1485 9.1756 9.1756 9.1762 9.1762 9.3667 9.3667 10.6246 10.6246 10.6350 10.6350 10.7475 10.7475 10.7789 10.7789 10.8524 10.8524 10.8782 10.8782 11.0165 11.0165 11.1539 11.1539 11.7800 11.7800 11.8487 11.8487 11.8567 11.8567 12.1758 12.1758 12.3997 12.3997 12.8347 12.8347 12.9202 12.9202 12.9312 12.9312 14.4793 14.4793 14.4813 14.4813 15.0766 15.0766 k = 0.5000 0.5000 0.0778 ( 1604 PWs) bands (ev): 9.1388 9.1388 9.1657 9.1657 9.1666 9.1666 9.3544 9.3544 10.6437 10.6437 10.6596 10.6596 10.7581 10.7581 10.7866 10.7866 10.8682 10.8682 10.8986 10.8986 11.0268 11.0268 11.1600 11.1600 11.7617 11.7617 11.8369 11.8369 11.8457 11.8457 12.1528 12.1528 12.4189 12.4189 12.8588 12.8588 12.9336 12.9336 12.9445 12.9445 14.4738 14.4738 14.4758 14.4758 15.0697 15.0697 k = 0.5000 0.5000 0.0889 ( 1600 PWs) bands (ev): 9.1280 9.1280 9.1545 9.1545 9.1557 9.1557 9.3408 9.3408 10.6655 10.6655 10.6872 10.6872 10.7698 10.7698 10.7961 10.7961 10.8865 10.8865 10.9216 10.9216 11.0388 11.0388 11.1671 11.1671 11.7421 11.7421 11.8238 11.8238 11.8336 11.8336 12.1285 12.1285 12.4396 12.4396 12.8845 12.8845 12.9485 12.9485 12.9595 12.9595 14.4673 14.4673 14.4694 14.4694 15.0615 15.0615 k = 0.5000 0.5000 0.1000 ( 1600 PWs) bands (ev): 9.1161 9.1161 9.1422 9.1422 9.1437 9.1437 9.3261 9.3261 10.6895 10.6895 10.7170 10.7170 10.7825 10.7825 10.8078 10.8078 10.9073 10.9073 10.9468 10.9468 11.0526 11.0526 11.1750 11.1750 11.7217 11.7217 11.8094 11.8094 11.8205 11.8205 12.1031 12.1031 12.4615 12.4615 12.9112 12.9112 12.9648 12.9648 12.9760 12.9760 14.4599 14.4599 14.4621 14.4621 15.0522 15.0522 k = 0.5000 0.5000 0.1111 ( 1600 PWs) bands (ev): 9.1033 9.1033 9.1290 9.1290 9.1307 9.1307 9.3105 9.3105 10.7156 10.7156 10.7480 10.7480 10.7962 10.7962 10.8224 10.8224 10.9303 10.9303 10.9744 10.9744 11.0681 11.0681 11.1837 11.1837 11.7005 11.7005 11.7940 11.7940 11.8067 11.8067 12.0769 12.0769 12.4843 12.4843 12.9384 12.9384 12.9822 12.9822 12.9939 12.9939 14.4515 14.4515 14.4538 14.4538 15.0416 15.0416 k = 0.5000 0.5000 0.1222 ( 1600 PWs) bands (ev): 9.0897 9.0897 9.1148 9.1148 9.1169 9.1169 9.2940 9.2940 10.7433 10.7433 10.7785 10.7785 10.8108 10.8108 10.8415 10.8415 10.9556 10.9556 11.0041 11.0041 11.0855 11.0855 11.1932 11.1932 11.6789 11.6789 11.7778 11.7778 11.7922 11.7922 12.0504 12.0504 12.5077 12.5077 12.9658 12.9658 13.0005 13.0005 13.0134 13.0134 14.4421 14.4421 14.4444 14.4444 15.0297 15.0297 k = 0.5000 0.5000 0.1333 ( 1584 PWs) bands (ev): 9.0756 9.0756 9.1001 9.1001 9.1024 9.1024 9.2771 9.2771 10.7724 10.7724 10.8057 10.8057 10.8267 10.8267 10.8679 10.8679 10.9831 10.9831 11.0362 11.0362 11.1051 11.1051 11.2036 11.2036 11.6574 11.6574 11.7613 11.7613 11.7777 11.7777 12.0238 12.0238 12.5316 12.5316 12.9930 12.9930 13.0198 13.0198 13.0344 13.0344 14.4316 14.4316 14.4341 14.4341 15.0166 15.0166 k = 0.5000 0.5000 0.1444 ( 1584 PWs) bands (ev): 9.0607 9.0607 9.0845 9.0845 9.0872 9.0872 9.2594 9.2594 10.8016 10.8016 10.8281 10.8281 10.8441 10.8441 10.9020 10.9020 11.0125 11.0125 11.0702 11.0702 11.1269 11.1269 11.2148 11.2148 11.6355 11.6355 11.7440 11.7440 11.7627 11.7627 11.9970 11.9970 12.5558 12.5558 13.0194 13.0194 13.0396 13.0396 13.0570 13.0570 14.4200 14.4200 14.4226 14.4226 15.0018 15.0018 k = 0.5000 0.5000 0.1556 ( 1576 PWs) bands (ev): 9.0453 9.0453 9.0685 9.0685 9.0714 9.0714 9.2415 9.2415 10.8295 10.8295 10.8474 10.8474 10.8643 10.8643 10.9423 10.9423 11.0440 11.0440 11.1064 11.1064 11.1514 11.1514 11.2272 11.2272 11.6137 11.6137 11.7265 11.7265 11.7478 11.7478 11.9703 11.9703 12.5802 12.5802 13.0447 13.0447 13.0600 13.0600 13.0813 13.0813 14.4071 14.4071 14.4099 14.4099 14.9856 14.9856 k = 0.5000 0.5000 0.1667 ( 1576 PWs) bands (ev): 9.0296 9.0296 9.0520 9.0520 9.0552 9.0552 9.2233 9.2233 10.8537 10.8537 10.8651 10.8651 10.8890 10.8890 10.9864 10.9864 11.0769 11.0769 11.1442 11.1442 11.1784 11.1784 11.2406 11.2406 11.5921 11.5921 11.7088 11.7088 11.7332 11.7332 11.9438 11.9438 12.6046 12.6046 13.0689 13.0689 13.0807 13.0807 13.1071 13.1071 14.3929 14.3929 14.3959 14.3959 14.9677 14.9677 k = 0.5000 0.5000 0.1778 ( 1576 PWs) bands (ev): 9.0135 9.0135 9.0352 9.0352 9.0386 9.0386 9.2049 9.2049 10.8742 10.8742 10.8823 10.8823 10.9177 10.9177 11.0329 11.0329 11.1115 11.1115 11.1837 11.1837 11.2082 11.2082 11.2558 11.2558 11.5710 11.5710 11.6913 11.6913 11.7192 11.7192 11.9176 11.9176 12.6288 12.6288 13.0920 13.0920 13.1017 13.1017 13.1339 13.1339 14.3774 14.3774 14.3807 14.3807 14.9482 14.9482 k = 0.5000 0.5000 0.1889 ( 1584 PWs) bands (ev): 8.9973 8.9973 9.0182 9.0182 9.0218 9.0218 9.1865 9.1865 10.8924 10.8924 10.8993 10.8993 10.9481 10.9481 11.0802 11.0802 11.1479 11.1479 11.2242 11.2242 11.2408 11.2408 11.2735 11.2735 11.5502 11.5502 11.6741 11.6741 11.7062 11.7062 11.8916 11.8916 12.6527 12.6527 13.1143 13.1143 13.1225 13.1225 13.1612 13.1612 14.3605 14.3605 14.3640 14.3640 14.9268 14.9268 k = 0.5000 0.5000 0.2000 ( 1580 PWs) bands (ev): 8.9810 8.9810 9.0011 9.0011 9.0049 9.0049 9.1682 9.1682 10.9098 10.9098 10.9163 10.9163 10.9787 10.9787 11.1267 11.1267 11.1862 11.1862 11.2649 11.2649 11.2763 11.2763 11.2962 11.2962 11.5303 11.5303 11.6575 11.6575 11.6946 11.6946 11.8664 11.8664 12.6766 12.6766 13.1361 13.1361 13.1435 13.1435 13.1889 13.1889 14.3422 14.3422 14.3460 14.3460 14.9037 14.9037 k = 0.5000 0.5000 0.2111 ( 1588 PWs) bands (ev): 8.9647 8.9647 8.9839 8.9839 8.9879 8.9879 9.1500 9.1500 10.9264 10.9264 10.9331 10.9331 11.0084 11.0084 11.1696 11.1696 11.2262 11.2262 11.3041 11.3041 11.3140 11.3140 11.3270 11.3270 11.5112 11.5112 11.6419 11.6419 11.6849 11.6849 11.8417 11.8417 12.6998 12.6998 13.1574 13.1574 13.1643 13.1643 13.2162 13.2162 14.3223 14.3223 14.3265 14.3265 14.8787 14.8787 k = 0.5000 0.5000 0.2222 ( 1588 PWs) bands (ev): 8.9484 8.9484 8.9669 8.9669 8.9710 8.9710 9.1320 9.1320 10.9427 10.9427 10.9499 10.9499 11.0365 11.0365 11.2059 11.2059 11.2676 11.2676 11.3442 11.3442 11.3540 11.3540 11.3653 11.3653 11.4937 11.4937 11.6283 11.6283 11.6783 11.6783 11.8177 11.8177 12.7229 12.7229 13.1784 13.1784 13.1850 13.1850 13.2435 13.2435 14.3009 14.3009 14.3054 14.3054 14.8515 14.8515 k = 0.5000 0.5000 0.2333 ( 1596 PWs) bands (ev): 8.9322 8.9322 8.9499 8.9499 8.9541 8.9541 9.1143 9.1143 10.9583 10.9583 10.9663 10.9663 11.0628 11.0628 11.2338 11.2338 11.3094 11.3094 11.3898 11.3898 11.3957 11.3957 11.4048 11.4048 11.4793 11.4793 11.6180 11.6180 11.6759 11.6759 11.7945 11.7945 12.7455 12.7455 13.1989 13.1989 13.2053 13.2053 13.2703 13.2703 14.2777 14.2777 14.2827 14.2827 14.8222 14.8222 k = 0.5000 0.5000 0.2444 ( 1596 PWs) bands (ev): 8.9162 8.9162 8.9332 8.9332 8.9375 8.9375 9.0969 9.0969 10.9736 10.9736 10.9826 10.9826 11.0877 11.0877 11.2546 11.2546 11.3494 11.3494 11.4273 11.4273 11.4393 11.4393 11.4479 11.4479 11.4752 11.4752 11.6144 11.6144 11.6796 11.6796 11.7722 11.7722 12.7676 12.7676 13.2190 13.2190 13.2253 13.2253 13.2967 13.2967 14.2529 14.2529 14.2584 14.2584 14.7908 14.7908 k = 0.5000 0.5000 0.2556 ( 1596 PWs) bands (ev): 8.9005 8.9005 8.9168 8.9168 8.9211 8.9211 9.0800 9.0800 10.9885 10.9885 10.9986 10.9986 11.1109 11.1109 11.2702 11.2702 11.3847 11.3847 11.4289 11.4289 11.4853 11.4853 11.4886 11.4886 11.5066 11.5066 11.6236 11.6236 11.6914 11.6914 11.7510 11.7510 12.7891 12.7891 13.2385 13.2385 13.2448 13.2448 13.3224 13.3224 14.2262 14.2262 14.2323 14.2323 14.7572 14.7572 k = 0.5000 0.5000 0.2667 ( 1596 PWs) bands (ev): 8.8851 8.8851 8.9008 8.9008 8.9051 8.9051 9.0635 9.0635 11.0028 11.0028 11.0142 11.0142 11.1326 11.1326 11.2818 11.2818 11.4120 11.4120 11.4193 11.4193 11.4984 11.4984 11.5344 11.5344 11.5704 11.5704 11.6512 11.6512 11.7130 11.7130 11.7316 11.7316 12.8100 12.8100 13.2575 13.2575 13.2636 13.2636 13.3474 13.3474 14.1977 14.1977 14.2045 14.2045 14.7211 14.7211 k = 0.5000 0.5000 0.2778 ( 1592 PWs) bands (ev): 8.8702 8.8702 8.8852 8.8852 8.8895 8.8895 9.0476 9.0476 11.0165 11.0165 11.0292 11.0292 11.1530 11.1530 11.2901 11.2901 11.4091 11.4091 11.4301 11.4301 11.4982 11.4982 11.5859 11.5859 11.6376 11.6376 11.6942 11.6942 11.7144 11.7144 11.7455 11.7455 12.8302 12.8302 13.2758 13.2758 13.2818 13.2818 13.3716 13.3716 14.1673 14.1673 14.1748 14.1748 14.6827 14.6827 k = 0.5000 0.5000 0.2889 ( 1592 PWs) bands (ev): 8.8555 8.8555 8.8701 8.8701 8.8742 8.8742 9.0321 9.0321 11.0294 11.0294 11.0435 11.0435 11.1720 11.1720 11.2950 11.2950 11.4004 11.4004 11.4401 11.4401 11.4929 11.4929 11.6326 11.6326 11.7071 11.7071 11.7076 11.7076 11.7462 11.7462 11.7867 11.7867 12.8497 12.8497 13.2934 13.2934 13.2992 13.2992 13.3950 13.3950 14.1349 14.1349 14.1434 14.1434 14.6418 14.6418 k = 0.5000 0.5000 0.3000 ( 1592 PWs) bands (ev): 8.8414 8.8414 8.8555 8.8555 8.8595 8.8595 9.0172 9.0172 11.0416 11.0416 11.0570 11.0570 11.1898 11.1898 11.2968 11.2968 11.3939 11.3939 11.4445 11.4445 11.4860 11.4860 11.6491 11.6491 11.7353 11.7353 11.7783 11.7783 11.8039 11.8039 11.8350 11.8350 12.8684 12.8684 13.3102 13.3102 13.3157 13.3157 13.4174 13.4174 14.1006 14.1006 14.1101 14.1101 14.5984 14.5984 k = 0.5000 0.5000 0.3111 ( 1580 PWs) bands (ev): 8.8278 8.8278 8.8416 8.8416 8.8454 8.8454 9.0031 9.0031 11.0531 11.0531 11.0698 11.0698 11.2067 11.2067 11.2957 11.2957 11.3893 11.3893 11.4454 11.4454 11.4793 11.4793 11.6404 11.6404 11.7922 11.7922 11.8499 11.8499 11.8666 11.8666 11.8889 11.8889 12.8864 12.8864 13.3262 13.3262 13.3312 13.3312 13.4390 13.4390 14.0643 14.0643 14.0750 14.0750 14.5508 14.5508 k = 0.5000 0.5000 0.3222 ( 1580 PWs) bands (ev): 8.8147 8.8147 8.8282 8.8282 8.8318 8.8318 8.9895 8.9895 11.0635 11.0635 11.0814 11.0814 11.2222 11.2222 11.2923 11.2923 11.3856 11.3856 11.4441 11.4441 11.4740 11.4740 11.6267 11.6267 11.8575 11.8575 11.9187 11.9187 11.9360 11.9360 11.9468 11.9468 12.9035 12.9035 13.3411 13.3411 13.3455 13.3455 13.4595 13.4595 14.0260 14.0260 14.0381 14.0381 14.4954 14.4956 k = 0.5000 0.5000 0.3333 ( 1588 PWs) bands (ev): 8.8021 8.8021 8.8154 8.8154 8.8187 8.8187 8.9765 8.9765 11.0730 11.0730 11.0918 11.0918 11.2367 11.2367 11.2875 11.2875 11.3819 11.3819 11.4415 11.4415 11.4703 11.4703 11.6121 11.6121 11.9264 11.9264 11.9852 11.9852 12.0077 12.0077 12.0109 12.0109 12.9196 12.9196 13.3549 13.3549 13.3584 13.3584 13.4789 13.4789 13.9857 13.9857 13.9995 13.9995 14.4377 14.4377 k = 0.5000 0.5000 0.3444 ( 1580 PWs) bands (ev): 8.7902 8.7902 8.8034 8.8034 8.8065 8.8065 8.9643 8.9643 11.0817 11.0817 11.1012 11.1012 11.2502 11.2502 11.2824 11.2824 11.3780 11.3780 11.4388 11.4388 11.4692 11.4692 11.5981 11.5981 11.9977 11.9977 12.0521 12.0521 12.0712 12.0712 12.0884 12.0884 12.9350 12.9350 13.3675 13.3675 13.3699 13.3699 13.4973 13.4973 13.9437 13.9437 13.9595 13.9595 14.3777 14.3777 k = 0.5000 0.5000 0.3556 ( 1580 PWs) bands (ev): 8.7790 8.7790 8.7921 8.7921 8.7949 8.7949 8.9529 8.9529 11.0893 11.0893 11.1089 11.1089 11.2625 11.2625 11.2774 11.2774 11.3732 11.3732 11.4360 11.4360 11.4698 11.4698 11.5850 11.5850 12.0707 12.0707 12.1198 12.1198 12.1367 12.1367 12.1674 12.1674 12.9494 12.9494 13.3787 13.3787 13.3795 13.3795 13.5145 13.5145 13.8999 13.8999 13.9181 13.9181 14.3156 14.3156 k = 0.5000 0.5000 0.3667 ( 1588 PWs) bands (ev): 8.7683 8.7683 8.7814 8.7814 8.7839 8.7839 8.9421 8.9421 11.0957 11.0957 11.1151 11.1151 11.2728 11.2728 11.2735 11.2735 11.3676 11.3676 11.4335 11.4335 11.4718 11.4718 11.5726 11.5726 12.1451 12.1451 12.1884 12.1884 12.2039 12.2039 12.2473 12.2473 12.9628 12.9628 13.3869 13.3869 13.3882 13.3882 13.5305 13.5305 13.8547 13.8547 13.8759 13.8759 14.2515 14.2515 k = 0.5000 0.5000 0.3778 ( 1588 PWs) bands (ev): 8.7585 8.7585 8.7717 8.7717 8.7738 8.7738 8.9321 8.9321 11.1014 11.1014 11.1199 11.1199 11.2693 11.2693 11.2835 11.2835 11.3619 11.3619 11.4314 11.4314 11.4750 11.4750 11.5613 11.5613 12.2206 12.2206 12.2579 12.2579 12.2724 12.2724 12.3280 12.3280 12.9752 12.9752 13.3915 13.3915 13.3955 13.3955 13.5452 13.5452 13.8085 13.8085 13.8333 13.8333 14.1858 14.1858 k = 0.5000 0.5000 0.3889 ( 1596 PWs) bands (ev): 8.7494 8.7494 8.7626 8.7626 8.7645 8.7645 8.9230 8.9230 11.1061 11.1061 11.1231 11.1231 11.2666 11.2666 11.2924 11.2924 11.3563 11.3563 11.4299 11.4299 11.4787 11.4787 11.5510 11.5510 12.2966 12.2966 12.3280 12.3280 12.3419 12.3419 12.4089 12.4089 12.9865 12.9865 13.3926 13.3926 13.4001 13.4001 13.5585 13.5585 13.7619 13.7619 13.7911 13.7911 14.1186 14.1186 k = 0.5000 0.5000 0.4000 ( 1596 PWs) bands (ev): 8.7411 8.7411 8.7545 8.7545 8.7560 8.7560 8.9147 8.9147 11.1101 11.1101 11.1252 11.1252 11.2648 11.2648 11.3002 11.3002 11.3509 11.3509 11.4289 11.4289 11.4827 11.4827 11.5418 11.5418 12.3729 12.3729 12.3988 12.3988 12.4124 12.4124 12.4898 12.4898 12.9969 12.9969 13.3891 13.3891 13.4011 13.4011 13.5704 13.5704 13.7162 13.7162 13.7505 13.7505 14.0505 14.0505 k = 0.5000 0.5000 0.4111 ( 1596 PWs) bands (ev): 8.7336 8.7336 8.7471 8.7471 8.7483 8.7483 8.9072 8.9072 11.1134 11.1134 11.1263 11.1263 11.2638 11.2638 11.3070 11.3070 11.3460 11.3460 11.4284 11.4284 11.4867 11.4867 11.5336 11.5336 12.4490 12.4490 12.4699 12.4699 12.4834 12.4834 12.5702 12.5702 13.0062 13.0062 13.3796 13.3796 13.3969 13.3969 13.5804 13.5804 13.6732 13.6732 13.7129 13.7129 13.9821 13.9821 k = 0.5000 0.5000 0.4222 ( 1596 PWs) bands (ev): 8.7269 8.7269 8.7405 8.7405 8.7415 8.7415 8.9005 8.9005 11.1160 11.1160 11.1265 11.1265 11.2632 11.2632 11.3127 11.3127 11.3417 11.3417 11.4283 11.4283 11.4905 11.4905 11.5265 11.5265 12.5241 12.5241 12.5412 12.5412 12.5549 12.5549 12.6496 12.6496 13.0145 13.0145 13.3626 13.3626 13.3851 13.3851 13.5872 13.5872 13.6365 13.6365 13.6800 13.6800 13.9140 13.9140 k = 0.5000 0.5000 0.4333 ( 1596 PWs) bands (ev): 8.7211 8.7211 8.7349 8.7349 8.7356 8.7356 8.8948 8.8948 11.1180 11.1180 11.1261 11.1261 11.2631 11.2631 11.3175 11.3175 11.3381 11.3381 11.4285 11.4285 11.4940 11.4940 11.5205 11.5205 12.5974 12.5974 12.6125 12.6125 12.6266 12.6266 12.7272 12.7272 13.0218 13.0218 13.3368 13.3368 13.3631 13.3631 13.5842 13.5842 13.6151 13.6151 13.6530 13.6530 13.8473 13.8473 k = 0.5000 0.5000 0.4444 ( 1592 PWs) bands (ev): 8.7161 8.7161 8.7300 8.7300 8.7306 8.7306 8.8899 8.8899 11.1196 11.1196 11.1254 11.1254 11.2631 11.2631 11.3214 11.3214 11.3352 11.3352 11.4289 11.4289 11.4972 11.4972 11.5154 11.5154 12.6678 12.6678 12.6835 12.6835 12.6982 12.6982 12.8019 12.8019 13.0279 13.0279 13.3020 13.3020 13.3297 13.3297 13.5686 13.5686 13.6131 13.6131 13.6325 13.6325 13.7838 13.7838 k = 0.5000 0.5000 0.4556 ( 1576 PWs) bands (ev): 8.7122 8.7122 8.7262 8.7262 8.7265 8.7265 8.8859 8.8859 11.1209 11.1209 11.1247 11.1247 11.2633 11.2633 11.3245 11.3245 11.3331 11.3331 11.4296 11.4296 11.5000 11.5000 11.5116 11.5116 12.7333 12.7333 12.7540 12.7540 12.7696 12.7696 12.8719 12.8719 13.0331 13.0331 13.2590 13.2590 13.2858 13.2858 13.5542 13.5542 13.6150 13.6150 13.6177 13.6177 13.7263 13.7263 k = 0.5000 0.5000 0.4667 ( 1568 PWs) bands (ev): 8.7091 8.7091 8.7232 8.7232 8.7233 8.7233 8.8829 8.8829 11.1219 11.1219 11.1241 11.1241 11.2635 11.2635 11.3269 11.3269 11.3316 11.3316 11.4302 11.4302 11.5021 11.5021 11.5087 11.5087 12.7914 12.7914 12.8234 12.8234 12.8403 12.8403 12.9347 12.9347 13.0370 13.0370 13.2093 13.2093 13.2337 13.2337 13.5429 13.5429 13.6068 13.6068 13.6137 13.6137 13.6799 13.6799 k = 0.5000 0.5000 0.4778 ( 1568 PWs) bands (ev): 8.7068 8.7068 8.7209 8.7209 8.7210 8.7210 8.8806 8.8806 11.1224 11.1224 11.1234 11.1234 11.2635 11.2635 11.3284 11.3284 11.3305 11.3305 11.4306 11.4306 11.5036 11.5036 11.5065 11.5065 12.8383 12.8383 12.8913 12.8913 12.9101 12.9101 12.9863 12.9863 13.0396 13.0396 13.1547 13.1547 13.1757 13.1757 13.5326 13.5326 13.5981 13.5981 13.6043 13.6043 13.6532 13.6532 k = 0.5000 0.5000 0.4889 ( 1568 PWs) bands (ev): 8.7054 8.7054 8.7196 8.7196 8.7196 8.7196 8.8793 8.8793 11.1227 11.1227 11.1230 11.1230 11.2635 11.2635 11.3294 11.3294 11.3299 11.3299 11.4309 11.4309 11.5045 11.5045 11.5052 11.5052 12.8695 12.8695 12.9559 12.9559 12.9782 12.9782 13.0211 13.0211 13.0405 13.0405 13.0985 13.0985 13.1143 13.1143 13.5233 13.5233 13.5905 13.5905 13.5917 13.5917 13.6448 13.6453 k = 0.5000 0.5000 0.5000 ( 1568 PWs) bands (ev): 8.7050 8.7050 8.7192 8.7192 8.7192 8.7192 8.8788 8.8788 11.1228 11.1228 11.1228 11.1228 11.2635 11.2635 11.3297 11.3297 11.3297 11.3297 11.4310 11.4310 11.5048 11.5048 11.5048 11.5048 12.8805 12.8805 13.0001 13.0001 13.0320 13.0320 13.0320 13.0320 13.0369 13.0369 13.0627 13.0627 13.0627 13.0627 13.5191 13.5191 13.5868 13.5868 13.5868 13.5868 13.6432 13.6432 Writing output data file FeNi3.save init_run : 0.39s CPU 0.55s WALL ( 1 calls) electrons : 90.50s CPU 92.69s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 90.50s CPU 92.68s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.03s WALL ( 344 calls) cegterg : 82.20s CPU 83.84s WALL ( 459 calls) Called by sum_band: Called by *egterg: h_psi : 34.56s CPU 35.57s WALL ( 7654 calls) s_psi : 3.84s CPU 3.97s WALL ( 7654 calls) g_psi : 0.06s CPU 0.09s WALL ( 6851 calls) cdiaghg : 42.83s CPU 43.47s WALL ( 7195 calls) cegterg:over : 2.71s CPU 2.77s WALL ( 6851 calls) cegterg:upda : 1.50s CPU 1.64s WALL ( 6851 calls) cegterg:last : 1.08s CPU 1.06s WALL ( 1194 calls) cdiaghg:chol : 2.02s CPU 2.23s WALL ( 7195 calls) cdiaghg:inve : 1.54s CPU 1.55s WALL ( 7195 calls) cdiaghg:para : 2.53s CPU 2.42s WALL ( 14390 calls) Called by h_psi: h_psi:vloc : 26.98s CPU 27.78s WALL ( 7654 calls) h_psi:vnl : 7.54s CPU 7.73s WALL ( 7654 calls) add_vuspsi : 4.38s CPU 4.40s WALL ( 7654 calls) General routines calbec : 3.14s CPU 3.31s WALL ( 7654 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 25.64s CPU 26.41s WALL ( 728692 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.07s CPU 0.15s WALL ( 688 calls) Parallel routines fft_scatter : 13.65s CPU 14.04s WALL ( 728715 calls) PWSCF : 1m40.78s CPU 1m52.88s WALL This run was terminated on: 18:12:36 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=