Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:13:52 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: ./InAg3.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 29 24 7 716 554 93 Max 31 25 8 720 567 96 Sum 1057 885 277 25821 20197 3407 bravais-lattice index = 14 lattice parameter (alat) = 7.8310 a.u. unit-cell volume = 480.2371 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 217.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.831024 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 In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 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 Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 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 In 13.00 114.81800 In( 1.00) Ag 11.00 107.86820 Ag( 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= 294 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 2) = ( 0.0000000 0.0131579 -0.0000000), wk = 0.0034014 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0034014 k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0034014 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0034014 k( 6) = ( 0.0000000 0.0657895 -0.0000000), wk = 0.0034014 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0034014 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0034014 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0034014 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0034014 k( 11) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0034014 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0034014 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0034014 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0034014 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0034014 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0034014 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0034014 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0034014 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0034014 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0034014 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0034014 k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0034014 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0034014 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0034014 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0034014 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0034014 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0034014 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0034014 k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0034014 k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0034014 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0034014 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0034014 k( 33) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0034014 k( 34) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0034014 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0034014 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0034014 k( 37) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0034014 k( 38) = ( 0.0000000 0.4868421 -0.0000000), wk = 0.0034014 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034014 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034014 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0034014 k( 42) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0034014 k( 43) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0034014 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0034014 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0034014 k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0034014 k( 47) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0034014 k( 48) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0034014 k( 49) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0034014 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0034014 k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0034014 k( 52) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0034014 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0034014 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0034014 k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0034014 k( 56) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0034014 k( 57) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0034014 k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0034014 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0034014 k( 60) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0034014 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0034014 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0034014 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0034014 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0034014 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0034014 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0034014 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0034014 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0034014 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0034014 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0034014 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0034014 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0034014 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0034014 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0034014 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0034014 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0034014 k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0034014 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034014 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034014 k( 80) = ( 0.4907407 0.4907407 -0.0000000), wk = 0.0034014 k( 81) = ( 0.4814815 0.4814815 -0.0000000), wk = 0.0034014 k( 82) = ( 0.4722222 0.4722222 -0.0000000), wk = 0.0034014 k( 83) = ( 0.4629630 0.4629630 -0.0000000), wk = 0.0034014 k( 84) = ( 0.4537037 0.4537037 -0.0000000), wk = 0.0034014 k( 85) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0034014 k( 86) = ( 0.4351852 0.4351852 -0.0000000), wk = 0.0034014 k( 87) = ( 0.4259259 0.4259259 -0.0000000), wk = 0.0034014 k( 88) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0034014 k( 89) = ( 0.4074074 0.4074074 -0.0000000), wk = 0.0034014 k( 90) = ( 0.3981481 0.3981481 -0.0000000), wk = 0.0034014 k( 91) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0034014 k( 92) = ( 0.3796296 0.3796296 -0.0000000), wk = 0.0034014 k( 93) = ( 0.3703704 0.3703704 -0.0000000), wk = 0.0034014 k( 94) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0034014 k( 95) = ( 0.3518519 0.3518518 -0.0000000), wk = 0.0034014 k( 96) = ( 0.3425926 0.3425926 -0.0000000), wk = 0.0034014 k( 97) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034014 k( 98) = ( 0.3240741 0.3240741 -0.0000000), wk = 0.0034014 k( 99) = ( 0.3148148 0.3148148 -0.0000000), wk = 0.0034014 k( 100) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0034014 k( 101) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0034014 k( 102) = ( 0.2870370 0.2870370 -0.0000000), wk = 0.0034014 k( 103) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0034014 k( 104) = ( 0.2685185 0.2685185 -0.0000000), wk = 0.0034014 k( 105) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0034014 k( 106) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0034014 k( 107) = ( 0.2407407 0.2407407 -0.0000000), wk = 0.0034014 k( 108) = ( 0.2314815 0.2314815 -0.0000000), wk = 0.0034014 k( 109) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0034014 k( 110) = ( 0.2129630 0.2129630 -0.0000000), wk = 0.0034014 k( 111) = ( 0.2037037 0.2037037 -0.0000000), wk = 0.0034014 k( 112) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0034014 k( 113) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0034014 k( 114) = ( 0.1759259 0.1759259 -0.0000000), wk = 0.0034014 k( 115) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0034014 k( 116) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0034014 k( 117) = ( 0.1481482 0.1481481 -0.0000000), wk = 0.0034014 k( 118) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0034014 k( 119) = ( 0.1296296 0.1296296 -0.0000000), wk = 0.0034014 k( 120) = ( 0.1203704 0.1203704 -0.0000000), wk = 0.0034014 k( 121) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0034014 k( 122) = ( 0.1018518 0.1018518 -0.0000000), wk = 0.0034014 k( 123) = ( 0.0925926 0.0925926 -0.0000000), wk = 0.0034014 k( 124) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0034014 k( 125) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0034014 k( 126) = ( 0.0648148 0.0648148 -0.0000000), wk = 0.0034014 k( 127) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0034014 k( 128) = ( 0.0462963 0.0462963 -0.0000000), wk = 0.0034014 k( 129) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0034014 k( 130) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0034014 k( 131) = ( 0.0185185 0.0185185 -0.0000000), wk = 0.0034014 k( 132) = ( 0.0092593 0.0092593 -0.0000000), wk = 0.0034014 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 135) = ( 0.0075758 0.0075758 0.0075758), wk = 0.0034014 k( 136) = ( 0.0151515 0.0151515 0.0151515), wk = 0.0034014 k( 137) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0034014 k( 138) = ( 0.0303030 0.0303030 0.0303030), wk = 0.0034014 k( 139) = ( 0.0378788 0.0378788 0.0378788), wk = 0.0034014 k( 140) = ( 0.0454546 0.0454545 0.0454545), wk = 0.0034014 k( 141) = ( 0.0530303 0.0530303 0.0530303), wk = 0.0034014 k( 142) = ( 0.0606061 0.0606061 0.0606061), wk = 0.0034014 k( 143) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0034014 k( 144) = ( 0.0757576 0.0757576 0.0757576), wk = 0.0034014 k( 145) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0034014 k( 146) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0034014 k( 147) = ( 0.0984848 0.0984848 0.0984848), wk = 0.0034014 k( 148) = ( 0.1060606 0.1060606 0.1060606), wk = 0.0034014 k( 149) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0034014 k( 150) = ( 0.1212121 0.1212121 0.1212121), wk = 0.0034014 k( 151) = ( 0.1287879 0.1287879 0.1287879), wk = 0.0034014 k( 152) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0034014 k( 153) = ( 0.1439394 0.1439394 0.1439394), wk = 0.0034014 k( 154) = ( 0.1515151 0.1515151 0.1515151), wk = 0.0034014 k( 155) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0034014 k( 156) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0034014 k( 157) = ( 0.1742424 0.1742424 0.1742424), wk = 0.0034014 k( 158) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0034014 k( 159) = ( 0.1893939 0.1893939 0.1893939), wk = 0.0034014 k( 160) = ( 0.1969697 0.1969697 0.1969697), wk = 0.0034014 k( 161) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0034014 k( 162) = ( 0.2121212 0.2121212 0.2121212), wk = 0.0034014 k( 163) = ( 0.2196970 0.2196970 0.2196970), wk = 0.0034014 k( 164) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0034014 k( 165) = ( 0.2348485 0.2348485 0.2348485), wk = 0.0034014 k( 166) = ( 0.2424242 0.2424242 0.2424242), wk = 0.0034014 k( 167) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034014 k( 168) = ( 0.2575758 0.2575758 0.2575758), wk = 0.0034014 k( 169) = ( 0.2651515 0.2651515 0.2651515), wk = 0.0034014 k( 170) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0034014 k( 171) = ( 0.2803030 0.2803030 0.2803030), wk = 0.0034014 k( 172) = ( 0.2878788 0.2878788 0.2878788), wk = 0.0034014 k( 173) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0034014 k( 174) = ( 0.3030303 0.3030303 0.3030303), wk = 0.0034014 k( 175) = ( 0.3106061 0.3106061 0.3106061), wk = 0.0034014 k( 176) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0034014 k( 177) = ( 0.3257576 0.3257576 0.3257576), wk = 0.0034014 k( 178) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034014 k( 179) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0034014 k( 180) = ( 0.3484849 0.3484848 0.3484848), wk = 0.0034014 k( 181) = ( 0.3560606 0.3560606 0.3560606), wk = 0.0034014 k( 182) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0034014 k( 183) = ( 0.3712121 0.3712121 0.3712121), wk = 0.0034014 k( 184) = ( 0.3787879 0.3787879 0.3787879), wk = 0.0034014 k( 185) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0034014 k( 186) = ( 0.3939394 0.3939394 0.3939394), wk = 0.0034014 k( 187) = ( 0.4015151 0.4015151 0.4015151), wk = 0.0034014 k( 188) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0034014 k( 189) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0034014 k( 190) = ( 0.4242424 0.4242424 0.4242424), wk = 0.0034014 k( 191) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0034014 k( 192) = ( 0.4393939 0.4393939 0.4393939), wk = 0.0034014 k( 193) = ( 0.4469697 0.4469697 0.4469697), wk = 0.0034014 k( 194) = ( 0.4545455 0.4545454 0.4545454), wk = 0.0034014 k( 195) = ( 0.4621212 0.4621212 0.4621212), wk = 0.0034014 k( 196) = ( 0.4696970 0.4696970 0.4696970), wk = 0.0034014 k( 197) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0034014 k( 198) = ( 0.4848485 0.4848485 0.4848485), wk = 0.0034014 k( 199) = ( 0.4924242 0.4924242 0.4924242), wk = 0.0034014 k( 200) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 k( 201) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 k( 202) = ( 0.4907407 0.5000000 0.4907407), wk = 0.0034014 k( 203) = ( 0.4814815 0.5000000 0.4814815), wk = 0.0034014 k( 204) = ( 0.4722222 0.5000000 0.4722222), wk = 0.0034014 k( 205) = ( 0.4629630 0.5000000 0.4629630), wk = 0.0034014 k( 206) = ( 0.4537037 0.5000000 0.4537037), wk = 0.0034014 k( 207) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0034014 k( 208) = ( 0.4351852 0.5000000 0.4351852), wk = 0.0034014 k( 209) = ( 0.4259259 0.5000000 0.4259259), wk = 0.0034014 k( 210) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0034014 k( 211) = ( 0.4074074 0.5000000 0.4074074), wk = 0.0034014 k( 212) = ( 0.3981481 0.5000000 0.3981481), wk = 0.0034014 k( 213) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0034014 k( 214) = ( 0.3796296 0.5000000 0.3796296), wk = 0.0034014 k( 215) = ( 0.3703704 0.5000000 0.3703704), wk = 0.0034014 k( 216) = ( 0.3611111 0.5000000 0.3611111), wk = 0.0034014 k( 217) = ( 0.3518519 0.5000000 0.3518518), wk = 0.0034014 k( 218) = ( 0.3425926 0.5000000 0.3425926), wk = 0.0034014 k( 219) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0034014 k( 220) = ( 0.3240741 0.5000000 0.3240741), wk = 0.0034014 k( 221) = ( 0.3148148 0.5000000 0.3148148), wk = 0.0034014 k( 222) = ( 0.3055556 0.5000000 0.3055556), wk = 0.0034014 k( 223) = ( 0.2962963 0.5000000 0.2962963), wk = 0.0034014 k( 224) = ( 0.2870370 0.5000000 0.2870370), wk = 0.0034014 k( 225) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0034014 k( 226) = ( 0.2685185 0.5000000 0.2685185), wk = 0.0034014 k( 227) = ( 0.2592593 0.5000000 0.2592593), wk = 0.0034014 k( 228) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0034014 k( 229) = ( 0.2407407 0.5000000 0.2407407), wk = 0.0034014 k( 230) = ( 0.2314815 0.5000000 0.2314815), wk = 0.0034014 k( 231) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0034014 k( 232) = ( 0.2129630 0.5000000 0.2129630), wk = 0.0034014 k( 233) = ( 0.2037037 0.5000000 0.2037037), wk = 0.0034014 k( 234) = ( 0.1944444 0.5000000 0.1944444), wk = 0.0034014 k( 235) = ( 0.1851852 0.5000000 0.1851852), wk = 0.0034014 k( 236) = ( 0.1759259 0.5000000 0.1759259), wk = 0.0034014 k( 237) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0034014 k( 238) = ( 0.1574074 0.5000000 0.1574074), wk = 0.0034014 k( 239) = ( 0.1481482 0.5000000 0.1481481), wk = 0.0034014 k( 240) = ( 0.1388889 0.5000000 0.1388889), wk = 0.0034014 k( 241) = ( 0.1296296 0.5000000 0.1296296), wk = 0.0034014 k( 242) = ( 0.1203704 0.5000000 0.1203704), wk = 0.0034014 k( 243) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0034014 k( 244) = ( 0.1018518 0.5000000 0.1018518), wk = 0.0034014 k( 245) = ( 0.0925926 0.5000000 0.0925926), wk = 0.0034014 k( 246) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0034014 k( 247) = ( 0.0740741 0.5000000 0.0740741), wk = 0.0034014 k( 248) = ( 0.0648148 0.5000000 0.0648148), wk = 0.0034014 k( 249) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0034014 k( 250) = ( 0.0462963 0.5000000 0.0462963), wk = 0.0034014 k( 251) = ( 0.0370370 0.5000000 0.0370370), wk = 0.0034014 k( 252) = ( 0.0277778 0.5000000 0.0277778), wk = 0.0034014 k( 253) = ( 0.0185185 0.5000000 0.0185185), wk = 0.0034014 k( 254) = ( 0.0092593 0.5000000 0.0092593), wk = 0.0034014 k( 255) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034014 k( 256) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034014 k( 257) = ( 0.5000000 0.5000000 0.0131579), wk = 0.0034014 k( 258) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0034014 k( 259) = ( 0.5000000 0.5000000 0.0394737), wk = 0.0034014 k( 260) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0034014 k( 261) = ( 0.5000000 0.5000000 0.0657895), wk = 0.0034014 k( 262) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0034014 k( 263) = ( 0.5000000 0.5000000 0.0921053), wk = 0.0034014 k( 264) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0034014 k( 265) = ( 0.5000000 0.5000000 0.1184210), wk = 0.0034014 k( 266) = ( 0.5000000 0.5000000 0.1315789), wk = 0.0034014 k( 267) = ( 0.5000000 0.5000000 0.1447368), wk = 0.0034014 k( 268) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0034014 k( 269) = ( 0.5000000 0.5000000 0.1710526), wk = 0.0034014 k( 270) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0034014 k( 271) = ( 0.5000000 0.5000000 0.1973684), wk = 0.0034014 k( 272) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0034014 k( 273) = ( 0.5000000 0.5000000 0.2236842), wk = 0.0034014 k( 274) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0034014 k( 275) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0034014 k( 276) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0034014 k( 277) = ( 0.5000000 0.5000000 0.2763158), wk = 0.0034014 k( 278) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0034014 k( 279) = ( 0.5000000 0.5000000 0.3026316), wk = 0.0034014 k( 280) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0034014 k( 281) = ( 0.5000000 0.5000000 0.3289474), wk = 0.0034014 k( 282) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0034014 k( 283) = ( 0.5000000 0.5000000 0.3552632), wk = 0.0034014 k( 284) = ( 0.5000000 0.5000000 0.3684210), wk = 0.0034014 k( 285) = ( 0.5000000 0.5000000 0.3815789), wk = 0.0034014 k( 286) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0034014 k( 287) = ( 0.5000000 0.5000000 0.4078947), wk = 0.0034014 k( 288) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0034014 k( 289) = ( 0.5000000 0.5000000 0.4342105), wk = 0.0034014 k( 290) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0034014 k( 291) = ( 0.5000000 0.5000000 0.4605263), wk = 0.0034014 k( 292) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0034014 k( 293) = ( 0.5000000 0.5000000 0.4868421), wk = 0.0034014 k( 294) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 2) = ( 0.0000000 0.0131579 0.0000000), wk = 0.0034014 k( 3) = ( 0.0000000 0.0263158 0.0000000), wk = 0.0034014 k( 4) = ( 0.0000000 0.0394737 0.0000000), wk = 0.0034014 k( 5) = ( 0.0000000 0.0526316 0.0000000), wk = 0.0034014 k( 6) = ( 0.0000000 0.0657895 0.0000000), wk = 0.0034014 k( 7) = ( 0.0000000 0.0789474 0.0000000), wk = 0.0034014 k( 8) = ( 0.0000000 0.0921053 0.0000000), wk = 0.0034014 k( 9) = ( 0.0000000 0.1052632 0.0000000), wk = 0.0034014 k( 10) = ( 0.0000000 0.1184210 0.0000000), wk = 0.0034014 k( 11) = ( 0.0000000 0.1315790 0.0000000), wk = 0.0034014 k( 12) = ( 0.0000000 0.1447368 0.0000000), wk = 0.0034014 k( 13) = ( 0.0000000 0.1578947 0.0000000), wk = 0.0034014 k( 14) = ( 0.0000000 0.1710526 0.0000000), wk = 0.0034014 k( 15) = ( 0.0000000 0.1842105 0.0000000), wk = 0.0034014 k( 16) = ( 0.0000000 0.1973684 0.0000000), wk = 0.0034014 k( 17) = ( 0.0000000 0.2105263 0.0000000), wk = 0.0034014 k( 18) = ( 0.0000000 0.2236842 0.0000000), wk = 0.0034014 k( 19) = ( 0.0000000 0.2368421 0.0000000), wk = 0.0034014 k( 20) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0034014 k( 21) = ( 0.0000000 0.2631579 0.0000000), wk = 0.0034014 k( 22) = ( 0.0000000 0.2763158 0.0000000), wk = 0.0034014 k( 23) = ( 0.0000000 0.2894737 0.0000000), wk = 0.0034014 k( 24) = ( 0.0000000 0.3026316 0.0000000), wk = 0.0034014 k( 25) = ( 0.0000000 0.3157895 0.0000000), wk = 0.0034014 k( 26) = ( 0.0000000 0.3289474 0.0000000), wk = 0.0034014 k( 27) = ( 0.0000000 0.3421053 0.0000000), wk = 0.0034014 k( 28) = ( 0.0000000 0.3552632 0.0000000), wk = 0.0034014 k( 29) = ( 0.0000000 0.3684211 0.0000000), wk = 0.0034014 k( 30) = ( 0.0000000 0.3815789 0.0000000), wk = 0.0034014 k( 31) = ( 0.0000000 0.3947368 0.0000000), wk = 0.0034014 k( 32) = ( 0.0000000 0.4078947 0.0000000), wk = 0.0034014 k( 33) = ( 0.0000000 0.4210526 0.0000000), wk = 0.0034014 k( 34) = ( 0.0000000 0.4342105 0.0000000), wk = 0.0034014 k( 35) = ( 0.0000000 0.4473684 0.0000000), wk = 0.0034014 k( 36) = ( 0.0000000 0.4605263 0.0000000), wk = 0.0034014 k( 37) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0034014 k( 38) = ( 0.0000000 0.4868421 0.0000000), wk = 0.0034014 k( 39) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034014 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034014 k( 41) = ( 0.0131579 0.5000000 0.0000000), wk = 0.0034014 k( 42) = ( 0.0263158 0.5000000 0.0000000), wk = 0.0034014 k( 43) = ( 0.0394737 0.5000000 0.0000000), wk = 0.0034014 k( 44) = ( 0.0526316 0.5000000 0.0000000), wk = 0.0034014 k( 45) = ( 0.0657895 0.5000000 0.0000000), wk = 0.0034014 k( 46) = ( 0.0789474 0.5000000 0.0000000), wk = 0.0034014 k( 47) = ( 0.0921053 0.5000000 0.0000000), wk = 0.0034014 k( 48) = ( 0.1052632 0.5000000 0.0000000), wk = 0.0034014 k( 49) = ( 0.1184210 0.5000000 0.0000000), wk = 0.0034014 k( 50) = ( 0.1315790 0.5000000 0.0000000), wk = 0.0034014 k( 51) = ( 0.1447368 0.5000000 0.0000000), wk = 0.0034014 k( 52) = ( 0.1578947 0.5000000 0.0000000), wk = 0.0034014 k( 53) = ( 0.1710526 0.5000000 0.0000000), wk = 0.0034014 k( 54) = ( 0.1842105 0.5000000 0.0000000), wk = 0.0034014 k( 55) = ( 0.1973684 0.5000000 0.0000000), wk = 0.0034014 k( 56) = ( 0.2105263 0.5000000 0.0000000), wk = 0.0034014 k( 57) = ( 0.2236842 0.5000000 0.0000000), wk = 0.0034014 k( 58) = ( 0.2368421 0.5000000 0.0000000), wk = 0.0034014 k( 59) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0034014 k( 60) = ( 0.2631579 0.5000000 0.0000000), wk = 0.0034014 k( 61) = ( 0.2763158 0.5000000 0.0000000), wk = 0.0034014 k( 62) = ( 0.2894737 0.5000000 0.0000000), wk = 0.0034014 k( 63) = ( 0.3026316 0.5000000 0.0000000), wk = 0.0034014 k( 64) = ( 0.3157895 0.5000000 0.0000000), wk = 0.0034014 k( 65) = ( 0.3289474 0.5000000 0.0000000), wk = 0.0034014 k( 66) = ( 0.3421053 0.5000000 0.0000000), wk = 0.0034014 k( 67) = ( 0.3552632 0.5000000 0.0000000), wk = 0.0034014 k( 68) = ( 0.3684211 0.5000000 0.0000000), wk = 0.0034014 k( 69) = ( 0.3815789 0.5000000 0.0000000), wk = 0.0034014 k( 70) = ( 0.3947368 0.5000000 0.0000000), wk = 0.0034014 k( 71) = ( 0.4078947 0.5000000 0.0000000), wk = 0.0034014 k( 72) = ( 0.4210526 0.5000000 0.0000000), wk = 0.0034014 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0034014 k( 74) = ( 0.4473684 0.5000000 0.0000000), wk = 0.0034014 k( 75) = ( 0.4605263 0.5000000 0.0000000), wk = 0.0034014 k( 76) = ( 0.4736842 0.5000000 0.0000000), wk = 0.0034014 k( 77) = ( 0.4868421 0.5000000 0.0000000), wk = 0.0034014 k( 78) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034014 k( 79) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034014 k( 80) = ( 0.4907407 0.4907407 0.0000000), wk = 0.0034014 k( 81) = ( 0.4814815 0.4814815 0.0000000), wk = 0.0034014 k( 82) = ( 0.4722222 0.4722222 0.0000000), wk = 0.0034014 k( 83) = ( 0.4629630 0.4629630 0.0000000), wk = 0.0034014 k( 84) = ( 0.4537037 0.4537037 0.0000000), wk = 0.0034014 k( 85) = ( 0.4444444 0.4444444 0.0000000), wk = 0.0034014 k( 86) = ( 0.4351852 0.4351852 0.0000000), wk = 0.0034014 k( 87) = ( 0.4259259 0.4259259 0.0000000), wk = 0.0034014 k( 88) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0034014 k( 89) = ( 0.4074074 0.4074074 0.0000000), wk = 0.0034014 k( 90) = ( 0.3981481 0.3981481 0.0000000), wk = 0.0034014 k( 91) = ( 0.3888889 0.3888889 0.0000000), wk = 0.0034014 k( 92) = ( 0.3796296 0.3796296 0.0000000), wk = 0.0034014 k( 93) = ( 0.3703704 0.3703704 0.0000000), wk = 0.0034014 k( 94) = ( 0.3611111 0.3611111 0.0000000), wk = 0.0034014 k( 95) = ( 0.3518519 0.3518519 0.0000000), wk = 0.0034014 k( 96) = ( 0.3425926 0.3425926 0.0000000), wk = 0.0034014 k( 97) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034014 k( 98) = ( 0.3240741 0.3240741 0.0000000), wk = 0.0034014 k( 99) = ( 0.3148148 0.3148148 0.0000000), wk = 0.0034014 k( 100) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0034014 k( 101) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0034014 k( 102) = ( 0.2870370 0.2870370 0.0000000), wk = 0.0034014 k( 103) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0034014 k( 104) = ( 0.2685185 0.2685185 0.0000000), wk = 0.0034014 k( 105) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0034014 k( 106) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0034014 k( 107) = ( 0.2407407 0.2407407 0.0000000), wk = 0.0034014 k( 108) = ( 0.2314815 0.2314815 0.0000000), wk = 0.0034014 k( 109) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0034014 k( 110) = ( 0.2129630 0.2129630 0.0000000), wk = 0.0034014 k( 111) = ( 0.2037037 0.2037037 0.0000000), wk = 0.0034014 k( 112) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0034014 k( 113) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0034014 k( 114) = ( 0.1759259 0.1759259 0.0000000), wk = 0.0034014 k( 115) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0034014 k( 116) = ( 0.1574074 0.1574074 0.0000000), wk = 0.0034014 k( 117) = ( 0.1481482 0.1481482 0.0000000), wk = 0.0034014 k( 118) = ( 0.1388889 0.1388889 0.0000000), wk = 0.0034014 k( 119) = ( 0.1296296 0.1296296 0.0000000), wk = 0.0034014 k( 120) = ( 0.1203704 0.1203704 0.0000000), wk = 0.0034014 k( 121) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0034014 k( 122) = ( 0.1018518 0.1018518 0.0000000), wk = 0.0034014 k( 123) = ( 0.0925926 0.0925926 0.0000000), wk = 0.0034014 k( 124) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0034014 k( 125) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0034014 k( 126) = ( 0.0648148 0.0648148 0.0000000), wk = 0.0034014 k( 127) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0034014 k( 128) = ( 0.0462963 0.0462963 0.0000000), wk = 0.0034014 k( 129) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0034014 k( 130) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0034014 k( 131) = ( 0.0185185 0.0185185 0.0000000), wk = 0.0034014 k( 132) = ( 0.0092593 0.0092593 0.0000000), wk = 0.0034014 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034014 k( 135) = ( 0.0075758 0.0075758 0.0075758), wk = 0.0034014 k( 136) = ( 0.0151515 0.0151515 0.0151515), wk = 0.0034014 k( 137) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0034014 k( 138) = ( 0.0303030 0.0303030 0.0303030), wk = 0.0034014 k( 139) = ( 0.0378788 0.0378788 0.0378788), wk = 0.0034014 k( 140) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0034014 k( 141) = ( 0.0530303 0.0530303 0.0530303), wk = 0.0034014 k( 142) = ( 0.0606061 0.0606061 0.0606061), wk = 0.0034014 k( 143) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0034014 k( 144) = ( 0.0757576 0.0757576 0.0757576), wk = 0.0034014 k( 145) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0034014 k( 146) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0034014 k( 147) = ( 0.0984848 0.0984848 0.0984848), wk = 0.0034014 k( 148) = ( 0.1060606 0.1060606 0.1060606), wk = 0.0034014 k( 149) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0034014 k( 150) = ( 0.1212121 0.1212121 0.1212121), wk = 0.0034014 k( 151) = ( 0.1287879 0.1287879 0.1287879), wk = 0.0034014 k( 152) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0034014 k( 153) = ( 0.1439394 0.1439394 0.1439394), wk = 0.0034014 k( 154) = ( 0.1515151 0.1515151 0.1515151), wk = 0.0034014 k( 155) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0034014 k( 156) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0034014 k( 157) = ( 0.1742424 0.1742424 0.1742424), wk = 0.0034014 k( 158) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0034014 k( 159) = ( 0.1893939 0.1893939 0.1893939), wk = 0.0034014 k( 160) = ( 0.1969697 0.1969697 0.1969697), wk = 0.0034014 k( 161) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0034014 k( 162) = ( 0.2121212 0.2121212 0.2121212), wk = 0.0034014 k( 163) = ( 0.2196970 0.2196970 0.2196970), wk = 0.0034014 k( 164) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0034014 k( 165) = ( 0.2348485 0.2348485 0.2348485), wk = 0.0034014 k( 166) = ( 0.2424242 0.2424242 0.2424242), wk = 0.0034014 k( 167) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034014 k( 168) = ( 0.2575758 0.2575758 0.2575758), wk = 0.0034014 k( 169) = ( 0.2651515 0.2651515 0.2651515), wk = 0.0034014 k( 170) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0034014 k( 171) = ( 0.2803030 0.2803030 0.2803030), wk = 0.0034014 k( 172) = ( 0.2878788 0.2878788 0.2878788), wk = 0.0034014 k( 173) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0034014 k( 174) = ( 0.3030303 0.3030303 0.3030303), wk = 0.0034014 k( 175) = ( 0.3106061 0.3106061 0.3106061), wk = 0.0034014 k( 176) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0034014 k( 177) = ( 0.3257576 0.3257576 0.3257576), wk = 0.0034014 k( 178) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034014 k( 179) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0034014 k( 180) = ( 0.3484849 0.3484849 0.3484849), wk = 0.0034014 k( 181) = ( 0.3560606 0.3560606 0.3560606), wk = 0.0034014 k( 182) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0034014 k( 183) = ( 0.3712121 0.3712121 0.3712121), wk = 0.0034014 k( 184) = ( 0.3787879 0.3787879 0.3787879), wk = 0.0034014 k( 185) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0034014 k( 186) = ( 0.3939394 0.3939394 0.3939394), wk = 0.0034014 k( 187) = ( 0.4015151 0.4015151 0.4015151), wk = 0.0034014 k( 188) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0034014 k( 189) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0034014 k( 190) = ( 0.4242424 0.4242424 0.4242424), wk = 0.0034014 k( 191) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0034014 k( 192) = ( 0.4393939 0.4393939 0.4393939), wk = 0.0034014 k( 193) = ( 0.4469697 0.4469697 0.4469697), wk = 0.0034014 k( 194) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0034014 k( 195) = ( 0.4621212 0.4621212 0.4621212), wk = 0.0034014 k( 196) = ( 0.4696970 0.4696970 0.4696970), wk = 0.0034014 k( 197) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0034014 k( 198) = ( 0.4848485 0.4848485 0.4848485), wk = 0.0034014 k( 199) = ( 0.4924242 0.4924242 0.4924242), wk = 0.0034014 k( 200) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 k( 201) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 k( 202) = ( 0.4907407 0.5000000 0.4907407), wk = 0.0034014 k( 203) = ( 0.4814815 0.5000000 0.4814815), wk = 0.0034014 k( 204) = ( 0.4722222 0.5000000 0.4722222), wk = 0.0034014 k( 205) = ( 0.4629630 0.5000000 0.4629630), wk = 0.0034014 k( 206) = ( 0.4537037 0.5000000 0.4537037), wk = 0.0034014 k( 207) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0034014 k( 208) = ( 0.4351852 0.5000000 0.4351852), wk = 0.0034014 k( 209) = ( 0.4259259 0.5000000 0.4259259), wk = 0.0034014 k( 210) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0034014 k( 211) = ( 0.4074074 0.5000000 0.4074074), wk = 0.0034014 k( 212) = ( 0.3981481 0.5000000 0.3981481), wk = 0.0034014 k( 213) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0034014 k( 214) = ( 0.3796296 0.5000000 0.3796296), wk = 0.0034014 k( 215) = ( 0.3703704 0.5000000 0.3703704), wk = 0.0034014 k( 216) = ( 0.3611111 0.5000000 0.3611111), wk = 0.0034014 k( 217) = ( 0.3518519 0.5000000 0.3518519), wk = 0.0034014 k( 218) = ( 0.3425926 0.5000000 0.3425926), wk = 0.0034014 k( 219) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0034014 k( 220) = ( 0.3240741 0.5000000 0.3240741), wk = 0.0034014 k( 221) = ( 0.3148148 0.5000000 0.3148148), wk = 0.0034014 k( 222) = ( 0.3055556 0.5000000 0.3055556), wk = 0.0034014 k( 223) = ( 0.2962963 0.5000000 0.2962963), wk = 0.0034014 k( 224) = ( 0.2870370 0.5000000 0.2870370), wk = 0.0034014 k( 225) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0034014 k( 226) = ( 0.2685185 0.5000000 0.2685185), wk = 0.0034014 k( 227) = ( 0.2592593 0.5000000 0.2592593), wk = 0.0034014 k( 228) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0034014 k( 229) = ( 0.2407407 0.5000000 0.2407407), wk = 0.0034014 k( 230) = ( 0.2314815 0.5000000 0.2314815), wk = 0.0034014 k( 231) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0034014 k( 232) = ( 0.2129630 0.5000000 0.2129630), wk = 0.0034014 k( 233) = ( 0.2037037 0.5000000 0.2037037), wk = 0.0034014 k( 234) = ( 0.1944444 0.5000000 0.1944444), wk = 0.0034014 k( 235) = ( 0.1851852 0.5000000 0.1851852), wk = 0.0034014 k( 236) = ( 0.1759259 0.5000000 0.1759259), wk = 0.0034014 k( 237) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0034014 k( 238) = ( 0.1574074 0.5000000 0.1574074), wk = 0.0034014 k( 239) = ( 0.1481482 0.5000000 0.1481482), wk = 0.0034014 k( 240) = ( 0.1388889 0.5000000 0.1388889), wk = 0.0034014 k( 241) = ( 0.1296296 0.5000000 0.1296296), wk = 0.0034014 k( 242) = ( 0.1203704 0.5000000 0.1203704), wk = 0.0034014 k( 243) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0034014 k( 244) = ( 0.1018518 0.5000000 0.1018518), wk = 0.0034014 k( 245) = ( 0.0925926 0.5000000 0.0925926), wk = 0.0034014 k( 246) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0034014 k( 247) = ( 0.0740741 0.5000000 0.0740741), wk = 0.0034014 k( 248) = ( 0.0648148 0.5000000 0.0648148), wk = 0.0034014 k( 249) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0034014 k( 250) = ( 0.0462963 0.5000000 0.0462963), wk = 0.0034014 k( 251) = ( 0.0370370 0.5000000 0.0370370), wk = 0.0034014 k( 252) = ( 0.0277778 0.5000000 0.0277778), wk = 0.0034014 k( 253) = ( 0.0185185 0.5000000 0.0185185), wk = 0.0034014 k( 254) = ( 0.0092593 0.5000000 0.0092593), wk = 0.0034014 k( 255) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034014 k( 256) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034014 k( 257) = ( 0.5000000 0.5000000 0.0131579), wk = 0.0034014 k( 258) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0034014 k( 259) = ( 0.5000000 0.5000000 0.0394737), wk = 0.0034014 k( 260) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0034014 k( 261) = ( 0.5000000 0.5000000 0.0657895), wk = 0.0034014 k( 262) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0034014 k( 263) = ( 0.5000000 0.5000000 0.0921053), wk = 0.0034014 k( 264) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0034014 k( 265) = ( 0.5000000 0.5000000 0.1184210), wk = 0.0034014 k( 266) = ( 0.5000000 0.5000000 0.1315790), wk = 0.0034014 k( 267) = ( 0.5000000 0.5000000 0.1447368), wk = 0.0034014 k( 268) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0034014 k( 269) = ( 0.5000000 0.5000000 0.1710526), wk = 0.0034014 k( 270) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0034014 k( 271) = ( 0.5000000 0.5000000 0.1973684), wk = 0.0034014 k( 272) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0034014 k( 273) = ( 0.5000000 0.5000000 0.2236842), wk = 0.0034014 k( 274) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0034014 k( 275) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0034014 k( 276) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0034014 k( 277) = ( 0.5000000 0.5000000 0.2763158), wk = 0.0034014 k( 278) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0034014 k( 279) = ( 0.5000000 0.5000000 0.3026316), wk = 0.0034014 k( 280) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0034014 k( 281) = ( 0.5000000 0.5000000 0.3289474), wk = 0.0034014 k( 282) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0034014 k( 283) = ( 0.5000000 0.5000000 0.3552632), wk = 0.0034014 k( 284) = ( 0.5000000 0.5000000 0.3684211), wk = 0.0034014 k( 285) = ( 0.5000000 0.5000000 0.3815789), wk = 0.0034014 k( 286) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0034014 k( 287) = ( 0.5000000 0.5000000 0.4078947), wk = 0.0034014 k( 288) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0034014 k( 289) = ( 0.5000000 0.5000000 0.4342105), wk = 0.0034014 k( 290) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0034014 k( 291) = ( 0.5000000 0.5000000 0.4605263), wk = 0.0034014 k( 292) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0034014 k( 293) = ( 0.5000000 0.5000000 0.4868421), wk = 0.0034014 k( 294) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034014 Dense grid: 25821 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 20197 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 142, 56) NL pseudopotentials 0.15 Mb ( 71, 136) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 717) G-vector shells 0.00 Mb ( 181) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.49 Mb ( 142, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.23 Mb ( 136, 2, 56) The potential is recalculated from file : ./InAg3.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 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.0 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 5.0 secs Computing kpt #: 7 total cpu time spent up to now is 5.5 secs Computing kpt #: 8 total cpu time spent up to now is 5.9 secs Computing kpt #: 9 total cpu time spent up to now is 6.3 secs Computing kpt #: 10 total cpu time spent up to now is 6.7 secs Computing kpt #: 11 total cpu time spent up to now is 7.1 secs Computing kpt #: 12 total cpu time spent up to now is 7.5 secs Computing kpt #: 13 total cpu time spent up to now is 7.9 secs Computing kpt #: 14 total cpu time spent up to now is 8.3 secs Computing kpt #: 15 total cpu time spent up to now is 8.7 secs Computing kpt #: 16 total cpu time spent up to now is 9.0 secs Computing kpt #: 17 total cpu time spent up to now is 9.3 secs Computing kpt #: 18 total cpu time spent up to now is 9.7 secs Computing kpt #: 19 total cpu time spent up to now is 10.0 secs Computing kpt #: 20 total cpu time spent up to now is 10.3 secs Computing kpt #: 21 total cpu time spent up to now is 10.7 secs Computing kpt #: 22 total cpu time spent up to now is 11.0 secs Computing kpt #: 23 total cpu time spent up to now is 11.4 secs Computing kpt #: 24 total cpu time spent up to now is 11.7 secs Computing kpt #: 25 total cpu time spent up to now is 12.1 secs Computing kpt #: 26 total cpu time spent up to now is 12.4 secs Computing kpt #: 27 total cpu time spent up to now is 12.7 secs Computing kpt #: 28 total cpu time spent up to now is 13.1 secs Computing kpt #: 29 total cpu time spent up to now is 13.4 secs Computing kpt #: 30 total cpu time spent up to now is 13.7 secs Computing kpt #: 31 total cpu time spent up to now is 14.1 secs Computing kpt #: 32 total cpu time spent up to now is 14.4 secs Computing kpt #: 33 total cpu time spent up to now is 14.7 secs Computing kpt #: 34 total cpu time spent up to now is 15.0 secs Computing kpt #: 35 total cpu time spent up to now is 15.4 secs Computing kpt #: 36 total cpu time spent up to now is 15.7 secs Computing kpt #: 37 total cpu time spent up to now is 16.0 secs Computing kpt #: 38 total cpu time spent up to now is 16.3 secs Computing kpt #: 39 total cpu time spent up to now is 16.7 secs Computing kpt #: 40 total cpu time spent up to now is 17.0 secs Computing kpt #: 41 total cpu time spent up to now is 17.3 secs Computing kpt #: 42 total cpu time spent up to now is 17.6 secs Computing kpt #: 43 total cpu time spent up to now is 18.0 secs Computing kpt #: 44 total cpu time spent up to now is 18.3 secs Computing kpt #: 45 total cpu time spent up to now is 18.6 secs Computing kpt #: 46 total cpu time spent up to now is 19.0 secs Computing kpt #: 47 total cpu time spent up to now is 19.3 secs Computing kpt #: 48 total cpu time spent up to now is 19.6 secs Computing kpt #: 49 total cpu time spent up to now is 19.9 secs Computing kpt #: 50 total cpu time spent up to now is 20.2 secs Computing kpt #: 51 total cpu time spent up to now is 20.5 secs Computing kpt #: 52 total cpu time spent up to now is 20.8 secs Computing kpt #: 53 total cpu time spent up to now is 21.1 secs Computing kpt #: 54 total cpu time spent up to now is 21.3 secs Computing kpt #: 55 total cpu time spent up to now is 21.6 secs Computing kpt #: 56 total cpu time spent up to now is 21.9 secs Computing kpt #: 57 total cpu time spent up to now is 22.2 secs Computing kpt #: 58 total cpu time spent up to now is 22.5 secs Computing kpt #: 59 total cpu time spent up to now is 22.8 secs Computing kpt #: 60 total cpu time spent up to now is 23.1 secs Computing kpt #: 61 total cpu time spent up to now is 23.3 secs Computing kpt #: 62 total cpu time spent up to now is 23.6 secs Computing kpt #: 63 total cpu time spent up to now is 23.9 secs Computing kpt #: 64 total cpu time spent up to now is 24.2 secs Computing kpt #: 65 total cpu time spent up to now is 24.5 secs Computing kpt #: 66 total cpu time spent up to now is 24.8 secs Computing kpt #: 67 total cpu time spent up to now is 25.1 secs Computing kpt #: 68 total cpu time spent up to now is 25.5 secs Computing kpt #: 69 total cpu time spent up to now is 25.8 secs Computing kpt #: 70 total cpu time spent up to now is 26.1 secs Computing kpt #: 71 total cpu time spent up to now is 26.4 secs Computing kpt #: 72 total cpu time spent up to now is 26.7 secs Computing kpt #: 73 total cpu time spent up to now is 27.1 secs Computing kpt #: 74 total cpu time spent up to now is 27.5 secs Computing kpt #: 75 total cpu time spent up to now is 27.8 secs Computing kpt #: 76 total cpu time spent up to now is 28.2 secs Computing kpt #: 77 total cpu time spent up to now is 28.5 secs Computing kpt #: 78 total cpu time spent up to now is 28.9 secs Computing kpt #: 79 total cpu time spent up to now is 29.2 secs Computing kpt #: 80 total cpu time spent up to now is 29.5 secs Computing kpt #: 81 total cpu time spent up to now is 29.9 secs Computing kpt #: 82 total cpu time spent up to now is 30.2 secs Computing kpt #: 83 total cpu time spent up to now is 30.6 secs Computing kpt #: 84 total cpu time spent up to now is 30.9 secs Computing kpt #: 85 total cpu time spent up to now is 31.3 secs Computing kpt #: 86 total cpu time spent up to now is 31.6 secs Computing kpt #: 87 total cpu time spent up to now is 32.0 secs Computing kpt #: 88 total cpu time spent up to now is 32.3 secs Computing kpt #: 89 total cpu time spent up to now is 32.7 secs Computing kpt #: 90 total cpu time spent up to now is 33.0 secs Computing kpt #: 91 total cpu time spent up to now is 33.4 secs Computing kpt #: 92 total cpu time spent up to now is 33.7 secs Computing kpt #: 93 total cpu time spent up to now is 34.1 secs Computing kpt #: 94 total cpu time spent up to now is 34.5 secs Computing kpt #: 95 total cpu time spent up to now is 34.9 secs Computing kpt #: 96 total cpu time spent up to now is 35.3 secs Computing kpt #: 97 total cpu time spent up to now is 35.7 secs Computing kpt #: 98 total cpu time spent up to now is 36.0 secs Computing kpt #: 99 total cpu time spent up to now is 36.4 secs Computing kpt #: 100 total cpu time spent up to now is 36.8 secs Computing kpt #: 101 total cpu time spent up to now is 37.2 secs Computing kpt #: 102 total cpu time spent up to now is 37.6 secs Computing kpt #: 103 total cpu time spent up to now is 38.0 secs Computing kpt #: 104 total cpu time spent up to now is 38.4 secs Computing kpt #: 105 total cpu time spent up to now is 38.8 secs Computing kpt #: 106 total cpu time spent up to now is 39.1 secs Computing kpt #: 107 total cpu time spent up to now is 39.5 secs Computing kpt #: 108 total cpu time spent up to now is 39.9 secs Computing kpt #: 109 total cpu time spent up to now is 40.3 secs Computing kpt #: 110 total cpu time spent up to now is 40.7 secs Computing kpt #: 111 total cpu time spent up to now is 41.1 secs Computing kpt #: 112 total cpu time spent up to now is 41.4 secs Computing kpt #: 113 total cpu time spent up to now is 41.7 secs Computing kpt #: 114 total cpu time spent up to now is 42.1 secs Computing kpt #: 115 total cpu time spent up to now is 42.4 secs Computing kpt #: 116 total cpu time spent up to now is 42.7 secs Computing kpt #: 117 total cpu time spent up to now is 43.0 secs Computing kpt #: 118 total cpu time spent up to now is 43.3 secs Computing kpt #: 119 total cpu time spent up to now is 43.7 secs Computing kpt #: 120 total cpu time spent up to now is 44.0 secs Computing kpt #: 121 total cpu time spent up to now is 44.3 secs Computing kpt #: 122 total cpu time spent up to now is 44.6 secs Computing kpt #: 123 total cpu time spent up to now is 45.0 secs Computing kpt #: 124 total cpu time spent up to now is 45.4 secs Computing kpt #: 125 total cpu time spent up to now is 45.7 secs Computing kpt #: 126 total cpu time spent up to now is 46.1 secs Computing kpt #: 127 total cpu time spent up to now is 46.5 secs Computing kpt #: 128 total cpu time spent up to now is 46.9 secs Computing kpt #: 129 total cpu time spent up to now is 47.4 secs Computing kpt #: 130 total cpu time spent up to now is 47.8 secs Computing kpt #: 131 total cpu time spent up to now is 48.4 secs Computing kpt #: 132 total cpu time spent up to now is 48.9 secs Computing kpt #: 133 total cpu time spent up to now is 49.3 secs Computing kpt #: 134 total cpu time spent up to now is 49.8 secs Computing kpt #: 135 total cpu time spent up to now is 50.3 secs Computing kpt #: 136 total cpu time spent up to now is 50.7 secs Computing kpt #: 137 total cpu time spent up to now is 51.2 secs Computing kpt #: 138 total cpu time spent up to now is 51.6 secs Computing kpt #: 139 total cpu time spent up to now is 52.0 secs Computing kpt #: 140 total cpu time spent up to now is 52.3 secs Computing kpt #: 141 total cpu time spent up to now is 52.7 secs Computing kpt #: 142 total cpu time spent up to now is 53.1 secs Computing kpt #: 143 total cpu time spent up to now is 53.4 secs Computing kpt #: 144 total cpu time spent up to now is 53.8 secs Computing kpt #: 145 total cpu time spent up to now is 54.1 secs Computing kpt #: 146 total cpu time spent up to now is 54.4 secs Computing kpt #: 147 total cpu time spent up to now is 54.8 secs Computing kpt #: 148 total cpu time spent up to now is 55.1 secs Computing kpt #: 149 total cpu time spent up to now is 55.4 secs Computing kpt #: 150 total cpu time spent up to now is 55.7 secs Computing kpt #: 151 total cpu time spent up to now is 56.1 secs Computing kpt #: 152 total cpu time spent up to now is 56.4 secs Computing kpt #: 153 total cpu time spent up to now is 56.7 secs Computing kpt #: 154 total cpu time spent up to now is 57.1 secs Computing kpt #: 155 total cpu time spent up to now is 57.4 secs Computing kpt #: 156 total cpu time spent up to now is 57.7 secs Computing kpt #: 157 total cpu time spent up to now is 58.0 secs Computing kpt #: 158 total cpu time spent up to now is 58.3 secs Computing kpt #: 159 total cpu time spent up to now is 58.6 secs Computing kpt #: 160 total cpu time spent up to now is 58.9 secs Computing kpt #: 161 total cpu time spent up to now is 59.2 secs Computing kpt #: 162 total cpu time spent up to now is 59.5 secs Computing kpt #: 163 total cpu time spent up to now is 59.8 secs Computing kpt #: 164 total cpu time spent up to now is 60.1 secs Computing kpt #: 165 total cpu time spent up to now is 60.4 secs Computing kpt #: 166 total cpu time spent up to now is 60.7 secs Computing kpt #: 167 total cpu time spent up to now is 61.0 secs Computing kpt #: 168 total cpu time spent up to now is 61.3 secs Computing kpt #: 169 total cpu time spent up to now is 61.7 secs Computing kpt #: 170 total cpu time spent up to now is 62.0 secs Computing kpt #: 171 total cpu time spent up to now is 62.3 secs Computing kpt #: 172 total cpu time spent up to now is 62.6 secs Computing kpt #: 173 total cpu time spent up to now is 62.9 secs Computing kpt #: 174 total cpu time spent up to now is 63.2 secs Computing kpt #: 175 total cpu time spent up to now is 63.5 secs Computing kpt #: 176 total cpu time spent up to now is 63.7 secs Computing kpt #: 177 total cpu time spent up to now is 64.0 secs Computing kpt #: 178 total cpu time spent up to now is 64.3 secs Computing kpt #: 179 total cpu time spent up to now is 64.5 secs Computing kpt #: 180 total cpu time spent up to now is 64.8 secs Computing kpt #: 181 total cpu time spent up to now is 65.0 secs Computing kpt #: 182 total cpu time spent up to now is 65.3 secs Computing kpt #: 183 total cpu time spent up to now is 65.6 secs Computing kpt #: 184 total cpu time spent up to now is 65.8 secs Computing kpt #: 185 total cpu time spent up to now is 66.1 secs Computing kpt #: 186 total cpu time spent up to now is 66.3 secs Computing kpt #: 187 total cpu time spent up to now is 66.5 secs Computing kpt #: 188 total cpu time spent up to now is 66.8 secs Computing kpt #: 189 total cpu time spent up to now is 67.0 secs Computing kpt #: 190 total cpu time spent up to now is 67.3 secs Computing kpt #: 191 total cpu time spent up to now is 67.5 secs Computing kpt #: 192 total cpu time spent up to now is 67.7 secs Computing kpt #: 193 total cpu time spent up to now is 68.0 secs Computing kpt #: 194 total cpu time spent up to now is 68.2 secs Computing kpt #: 195 total cpu time spent up to now is 68.4 secs Computing kpt #: 196 total cpu time spent up to now is 68.6 secs Computing kpt #: 197 total cpu time spent up to now is 68.9 secs Computing kpt #: 198 total cpu time spent up to now is 69.1 secs Computing kpt #: 199 total cpu time spent up to now is 69.3 secs Computing kpt #: 200 total cpu time spent up to now is 69.5 secs Computing kpt #: 201 total cpu time spent up to now is 69.7 secs Computing kpt #: 202 total cpu time spent up to now is 70.0 secs Computing kpt #: 203 total cpu time spent up to now is 70.2 secs Computing kpt #: 204 total cpu time spent up to now is 70.4 secs Computing kpt #: 205 total cpu time spent up to now is 70.6 secs Computing kpt #: 206 total cpu time spent up to now is 70.8 secs Computing kpt #: 207 total cpu time spent up to now is 71.1 secs Computing kpt #: 208 total cpu time spent up to now is 71.3 secs Computing kpt #: 209 total cpu time spent up to now is 71.5 secs Computing kpt #: 210 total cpu time spent up to now is 71.8 secs Computing kpt #: 211 total cpu time spent up to now is 72.0 secs Computing kpt #: 212 total cpu time spent up to now is 72.3 secs Computing kpt #: 213 total cpu time spent up to now is 72.5 secs Computing kpt #: 214 total cpu time spent up to now is 72.7 secs Computing kpt #: 215 total cpu time spent up to now is 73.0 secs Computing kpt #: 216 total cpu time spent up to now is 73.2 secs Computing kpt #: 217 total cpu time spent up to now is 73.5 secs Computing kpt #: 218 total cpu time spent up to now is 73.7 secs Computing kpt #: 219 total cpu time spent up to now is 74.0 secs Computing kpt #: 220 total cpu time spent up to now is 74.2 secs Computing kpt #: 221 total cpu time spent up to now is 74.5 secs Computing kpt #: 222 total cpu time spent up to now is 74.8 secs Computing kpt #: 223 total cpu time spent up to now is 75.0 secs Computing kpt #: 224 total cpu time spent up to now is 75.3 secs Computing kpt #: 225 total cpu time spent up to now is 75.6 secs Computing kpt #: 226 total cpu time spent up to now is 75.9 secs Computing kpt #: 227 total cpu time spent up to now is 76.1 secs Computing kpt #: 228 total cpu time spent up to now is 76.4 secs Computing kpt #: 229 total cpu time spent up to now is 76.7 secs Computing kpt #: 230 total cpu time spent up to now is 77.1 secs Computing kpt #: 231 total cpu time spent up to now is 77.4 secs Computing kpt #: 232 total cpu time spent up to now is 77.8 secs Computing kpt #: 233 total cpu time spent up to now is 78.2 secs Computing kpt #: 234 total cpu time spent up to now is 78.5 secs Computing kpt #: 235 total cpu time spent up to now is 78.8 secs Computing kpt #: 236 total cpu time spent up to now is 79.2 secs Computing kpt #: 237 total cpu time spent up to now is 79.6 secs Computing kpt #: 238 total cpu time spent up to now is 79.9 secs Computing kpt #: 239 total cpu time spent up to now is 80.3 secs Computing kpt #: 240 total cpu time spent up to now is 80.6 secs Computing kpt #: 241 total cpu time spent up to now is 81.0 secs Computing kpt #: 242 total cpu time spent up to now is 81.3 secs Computing kpt #: 243 total cpu time spent up to now is 81.6 secs Computing kpt #: 244 total cpu time spent up to now is 82.0 secs Computing kpt #: 245 total cpu time spent up to now is 82.3 secs Computing kpt #: 246 total cpu time spent up to now is 82.6 secs Computing kpt #: 247 total cpu time spent up to now is 82.9 secs Computing kpt #: 248 total cpu time spent up to now is 83.3 secs Computing kpt #: 249 total cpu time spent up to now is 83.6 secs Computing kpt #: 250 total cpu time spent up to now is 83.9 secs Computing kpt #: 251 total cpu time spent up to now is 84.2 secs Computing kpt #: 252 total cpu time spent up to now is 84.6 secs Computing kpt #: 253 total cpu time spent up to now is 84.9 secs Computing kpt #: 254 total cpu time spent up to now is 85.2 secs Computing kpt #: 255 total cpu time spent up to now is 85.5 secs Computing kpt #: 256 total cpu time spent up to now is 85.9 secs Computing kpt #: 257 total cpu time spent up to now is 86.2 secs Computing kpt #: 258 total cpu time spent up to now is 86.6 secs Computing kpt #: 259 total cpu time spent up to now is 86.9 secs Computing kpt #: 260 total cpu time spent up to now is 87.2 secs Computing kpt #: 261 total cpu time spent up to now is 87.5 secs Computing kpt #: 262 total cpu time spent up to now is 87.8 secs Computing kpt #: 263 total cpu time spent up to now is 88.2 secs Computing kpt #: 264 total cpu time spent up to now is 88.5 secs Computing kpt #: 265 total cpu time spent up to now is 88.8 secs Computing kpt #: 266 total cpu time spent up to now is 89.1 secs Computing kpt #: 267 total cpu time spent up to now is 89.4 secs Computing kpt #: 268 total cpu time spent up to now is 89.7 secs Computing kpt #: 269 total cpu time spent up to now is 90.0 secs Computing kpt #: 270 total cpu time spent up to now is 90.3 secs Computing kpt #: 271 total cpu time spent up to now is 90.5 secs Computing kpt #: 272 total cpu time spent up to now is 90.8 secs Computing kpt #: 273 total cpu time spent up to now is 91.1 secs Computing kpt #: 274 total cpu time spent up to now is 91.3 secs Computing kpt #: 275 total cpu time spent up to now is 91.6 secs Computing kpt #: 276 total cpu time spent up to now is 91.8 secs Computing kpt #: 277 total cpu time spent up to now is 92.0 secs Computing kpt #: 278 total cpu time spent up to now is 92.3 secs Computing kpt #: 279 total cpu time spent up to now is 92.5 secs Computing kpt #: 280 total cpu time spent up to now is 92.8 secs Computing kpt #: 281 total cpu time spent up to now is 93.0 secs Computing kpt #: 282 total cpu time spent up to now is 93.3 secs Computing kpt #: 283 total cpu time spent up to now is 93.5 secs Computing kpt #: 284 total cpu time spent up to now is 93.7 secs Computing kpt #: 285 total cpu time spent up to now is 94.0 secs Computing kpt #: 286 total cpu time spent up to now is 94.2 secs Computing kpt #: 287 total cpu time spent up to now is 94.4 secs Computing kpt #: 288 total cpu time spent up to now is 94.6 secs Computing kpt #: 289 total cpu time spent up to now is 94.9 secs Computing kpt #: 290 total cpu time spent up to now is 95.1 secs Computing kpt #: 291 total cpu time spent up to now is 95.3 secs Computing kpt #: 292 total cpu time spent up to now is 95.5 secs Computing kpt #: 293 total cpu time spent up to now is 95.7 secs Computing kpt #: 294 total cpu time spent up to now is 96.0 secs ethr = 2.17E-08, avg # of iterations = 18.2 total cpu time spent up to now is 96.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2517 PWs) bands (ev): -1.7725 -1.7725 -1.7725 -1.7725 -0.9419 -0.9419 -0.9419 -0.9419 -0.9175 -0.9175 4.1353 4.1353 6.8467 6.8467 7.4656 7.4656 7.4656 7.4656 7.4688 7.4688 7.6666 7.6666 7.6666 7.6666 8.9869 8.9869 8.9869 8.9869 9.1683 9.1683 9.7090 9.7090 9.7090 9.7090 10.0489 10.0489 10.1952 10.1952 10.4187 10.4187 10.4187 10.4187 13.2204 13.2204 13.3937 13.3937 13.3937 13.3937 16.6758 16.6758 18.3925 18.3925 18.3925 18.3925 21.7340 21.7340 k = 0.0000 0.0132-0.0000 ( 2517 PWs) bands (ev): -1.7724 -1.7724 -1.7724 -1.7724 -0.9419 -0.9419 -0.9418 -0.9418 -0.9174 -0.9174 4.1370 4.1370 6.8476 6.8476 7.4659 7.4659 7.4661 7.4661 7.4692 7.4692 7.6663 7.6663 7.6674 7.6674 8.9859 8.9859 8.9864 8.9864 9.1677 9.1677 9.7082 9.7082 9.7089 9.7089 10.0481 10.0481 10.1935 10.1935 10.4164 10.4164 10.4177 10.4177 13.2186 13.2186 13.3864 13.3864 13.3982 13.3982 16.6835 16.6835 18.3930 18.3930 18.4012 18.4012 21.7316 21.7316 k = 0.0000 0.0263-0.0000 ( 2517 PWs) bands (ev): -1.7724 -1.7724 -1.7722 -1.7722 -0.9418 -0.9418 -0.9415 -0.9415 -0.9174 -0.9174 4.1420 4.1420 6.8503 6.8503 7.4667 7.4667 7.4676 7.4676 7.4703 7.4703 7.6655 7.6655 7.6698 7.6698 8.9832 8.9832 8.9850 8.9850 9.1659 9.1659 9.7058 9.7058 9.7085 9.7085 10.0459 10.0459 10.1886 10.1886 10.4094 10.4094 10.4147 10.4147 13.2078 13.2078 13.3707 13.3707 13.4118 13.4118 16.7057 16.7057 18.3944 18.3944 18.4275 18.4275 21.7238 21.7238 k = 0.0000 0.0395-0.0000 ( 2521 PWs) bands (ev): -1.7722 -1.7722 -1.7719 -1.7719 -0.9416 -0.9416 -0.9411 -0.9411 -0.9172 -0.9172 4.1502 4.1502 6.8548 6.8548 7.4681 7.4681 7.4701 7.4701 7.4723 7.4723 7.6642 7.6642 7.6738 7.6738 8.9786 8.9786 8.9827 8.9827 9.1628 9.1628 9.7016 9.7016 9.7078 9.7078 10.0423 10.0423 10.1802 10.1802 10.3980 10.3980 10.4101 10.4101 13.1726 13.1726 13.3636 13.3636 13.4342 13.4342 16.7401 16.7401 18.3969 18.3969 18.4720 18.4720 21.7097 21.7097 k = 0.0000 0.0526-0.0000 ( 2525 PWs) bands (ev): -1.7721 -1.7721 -1.7714 -1.7714 -0.9414 -0.9414 -0.9404 -0.9404 -0.9171 -0.9171 4.1618 4.1618 6.8610 6.8610 7.4698 7.4698 7.4735 7.4735 7.4751 7.4751 7.6624 7.6624 7.6795 7.6795 8.9721 8.9721 8.9794 8.9794 9.1587 9.1587 9.6959 9.6959 9.7068 9.7068 10.0372 10.0372 10.1682 10.1682 10.3823 10.3823 10.4043 10.4043 13.1040 13.1040 13.3769 13.3769 13.4653 13.4653 16.7830 16.7830 18.4003 18.4003 18.5353 18.5353 21.6880 21.6880 k = 0.0000 0.0658-0.0000 ( 2525 PWs) bands (ev): -1.7719 -1.7719 -1.7708 -1.7708 -0.9411 -0.9411 -0.9394 -0.9394 -0.9168 -0.9168 4.1766 4.1766 6.8689 6.8689 7.4719 7.4719 7.4780 7.4780 7.4789 7.4789 7.6601 7.6601 7.6867 7.6867 8.9640 8.9640 8.9753 8.9753 9.1534 9.1534 9.6887 9.6887 9.7055 9.7055 10.0306 10.0306 10.1523 10.1523 10.3627 10.3627 10.3977 10.3977 13.0076 13.0076 13.4075 13.4075 13.5047 13.5047 16.8306 16.8306 18.4047 18.4047 18.6180 18.6180 21.6576 21.6576 k = 0.0000 0.0789-0.0000 ( 2525 PWs) bands (ev): -1.7716 -1.7716 -1.7701 -1.7701 -0.9407 -0.9407 -0.9383 -0.9383 -0.9165 -0.9165 4.1947 4.1947 6.8786 6.8786 7.4744 7.4744 7.4834 7.4834 7.4836 7.4836 7.6573 7.6573 7.6955 7.6955 8.9542 8.9542 8.9702 8.9702 9.1472 9.1472 9.6799 9.6799 9.7039 9.7039 10.0226 10.0226 10.1324 10.1324 10.3395 10.3395 10.3910 10.3910 12.8913 12.8913 13.4506 13.4506 13.5520 13.5520 16.8792 16.8792 18.4102 18.4102 18.7204 18.7204 21.6182 21.6182 k = 0.0000 0.0921-0.0000 ( 2525 PWs) bands (ev): -1.7713 -1.7713 -1.7693 -1.7693 -0.9403 -0.9403 -0.9370 -0.9370 -0.9162 -0.9162 4.2161 4.2161 6.8900 6.8900 7.4772 7.4772 7.4892 7.4892 7.4896 7.4896 7.6540 7.6540 7.7058 7.7058 8.9427 8.9427 8.9643 8.9643 9.1401 9.1401 9.6696 9.6696 9.7020 9.7020 10.0132 10.0132 10.1086 10.1086 10.3131 10.3131 10.3844 10.3844 12.7605 12.7605 13.5034 13.5034 13.6070 13.6070 16.9260 16.9260 18.4167 18.4167 18.8424 18.8424 21.5704 21.5704 k = 0.0000 0.1053-0.0000 ( 2529 PWs) bands (ev): -1.7709 -1.7709 -1.7683 -1.7683 -0.9398 -0.9398 -0.9356 -0.9356 -0.9158 -0.9158 4.2407 4.2407 6.9030 6.9030 7.4804 7.4804 7.4956 7.4956 7.4967 7.4967 7.6502 7.6502 7.7176 7.7176 8.9297 8.9297 8.9574 8.9574 9.1322 9.1322 9.6578 9.6578 9.6997 9.6997 10.0023 10.0023 10.0808 10.0808 10.2838 10.2838 10.3782 10.3782 12.6189 12.6189 13.5645 13.5645 13.6691 13.6691 16.9688 16.9688 18.4242 18.4242 18.9830 18.9830 21.5154 21.5154 k = 0.0000 0.1184-0.0000 ( 2529 PWs) bands (ev): -1.7705 -1.7705 -1.7673 -1.7673 -0.9392 -0.9392 -0.9340 -0.9340 -0.9153 -0.9153 4.2686 4.2686 6.9176 6.9176 7.4840 7.4840 7.5027 7.5027 7.5044 7.5044 7.6461 7.6461 7.7310 7.7310 8.9153 8.9153 8.9497 8.9497 9.1236 9.1236 9.6445 9.6445 9.6970 9.6970 9.9901 9.9901 10.0495 10.0495 10.2523 10.2523 10.3727 10.3727 12.4693 12.4693 13.6330 13.6330 13.7379 13.7379 17.0066 17.0066 18.4329 18.4329 19.1405 19.1405 21.4546 21.4546 k = 0.0000 0.1316-0.0000 ( 2529 PWs) bands (ev): -1.7701 -1.7701 -1.7661 -1.7661 -0.9386 -0.9386 -0.9322 -0.9322 -0.9148 -0.9148 4.2996 4.2996 6.9338 6.9338 7.4879 7.4879 7.5105 7.5105 7.5125 7.5125 7.6416 7.6416 7.7457 7.7457 8.8995 8.8995 8.9411 8.9411 9.1145 9.1145 9.6299 9.6299 9.6938 9.6938 9.9765 9.9765 10.0151 10.0151 10.2189 10.2189 10.3678 10.3678 12.3140 12.3140 13.7081 13.7081 13.8130 13.8130 17.0389 17.0389 18.4426 18.4426 19.3131 19.3131 21.3894 21.3894 k = 0.0000 0.1447-0.0000 ( 2529 PWs) bands (ev): -1.7697 -1.7697 -1.7648 -1.7648 -0.9380 -0.9380 -0.9302 -0.9302 -0.9142 -0.9142 4.3339 4.3339 6.9515 6.9515 7.4921 7.4921 7.5193 7.5193 7.5210 7.5210 7.6370 7.6370 7.7618 7.7618 8.8824 8.8824 8.9318 8.9318 9.1049 9.1049 9.6138 9.6138 9.6900 9.6900 9.9615 9.9615 9.9778 9.9778 10.1840 10.1840 10.3636 10.3636 12.1548 12.1548 13.7892 13.7892 13.8940 13.8940 17.0658 17.0658 18.4535 18.4535 19.4977 19.4977 21.3214 21.3214 k = 0.0000 0.1579-0.0000 ( 2521 PWs) bands (ev): -1.7691 -1.7691 -1.7634 -1.7634 -0.9373 -0.9373 -0.9280 -0.9280 -0.9137 -0.9137 4.3712 4.3712 6.9707 6.9707 7.4966 7.4966 7.5287 7.5287 7.5292 7.5292 7.6327 7.6327 7.7794 7.7794 8.8642 8.8642 8.9218 8.9218 9.0950 9.0950 9.5966 9.5966 9.6857 9.6857 9.9380 9.9380 9.9453 9.9453 10.1481 10.1481 10.3598 10.3598 11.9932 11.9932 13.8759 13.8759 13.9805 13.9805 17.0877 17.0877 18.4657 18.4657 19.6911 19.6911 21.2520 21.2520 k = 0.0000 0.1711-0.0000 ( 2529 PWs) bands (ev): -1.7686 -1.7686 -1.7620 -1.7620 -0.9366 -0.9366 -0.9260 -0.9260 -0.9131 -0.9131 4.4117 4.4117 6.9911 6.9911 7.5014 7.5014 7.5363 7.5363 7.5387 7.5387 7.6292 7.6292 7.7982 7.7982 8.8448 8.8448 8.9110 8.9110 9.0849 9.0849 9.5782 9.5782 9.6806 9.6806 9.8960 9.8960 9.9276 9.9276 10.1116 10.1116 10.3565 10.3565 11.8305 11.8305 13.9677 13.9677 14.0720 14.0720 17.1051 17.1051 18.4790 18.4790 19.8883 19.8883 21.1825 21.1825 k = 0.0000 0.1842-0.0000 ( 2533 PWs) bands (ev): -1.7681 -1.7681 -1.7606 -1.7606 -0.9358 -0.9358 -0.9237 -0.9237 -0.9125 -0.9125 4.4552 4.4552 7.0129 7.0129 7.5065 7.5065 7.5412 7.5412 7.5492 7.5492 7.6279 7.6279 7.8182 7.8182 8.8245 8.8245 8.8998 8.8998 9.0747 9.0747 9.5586 9.5586 9.6746 9.6746 9.8524 9.8524 9.9084 9.9084 10.0753 10.0753 10.3536 10.3536 11.6679 11.6679 14.0642 14.0642 14.1684 14.1684 17.1186 17.1186 18.4936 18.4936 20.0815 20.0815 21.1097 21.1097 k = 0.0000 0.1974-0.0000 ( 2533 PWs) bands (ev): -1.7675 -1.7675 -1.7590 -1.7590 -0.9351 -0.9351 -0.9213 -0.9213 -0.9118 -0.9118 4.5017 4.5017 7.0358 7.0358 7.5117 7.5117 7.5425 7.5425 7.5603 7.5603 7.6299 7.6299 7.8394 7.8394 8.8035 8.8035 8.8881 8.8881 9.0645 9.0645 9.5381 9.5381 9.6676 9.6676 9.8073 9.8073 9.8877 9.8877 10.0395 10.0395 10.3510 10.3510 11.5063 11.5063 14.1651 14.1651 14.2691 14.2691 17.1287 17.1287 18.5095 18.5095 20.2565 20.2565 20.9840 20.9840 k = 0.0000 0.2105-0.0000 ( 2533 PWs) bands (ev): -1.7669 -1.7669 -1.7574 -1.7574 -0.9342 -0.9342 -0.9188 -0.9188 -0.9111 -0.9111 4.5512 4.5512 7.0599 7.0599 7.5172 7.5172 7.5392 7.5392 7.5720 7.5720 7.6360 7.6360 7.8616 7.8616 8.7817 8.7817 8.8761 8.8761 9.0544 9.0544 9.5166 9.5166 9.6592 9.6592 9.7610 9.7610 9.8654 9.8654 10.0050 10.0050 10.3487 10.3487 11.3465 11.3465 14.2699 14.2699 14.3740 14.3740 17.1360 17.1360 18.5267 18.5267 20.3890 20.3890 20.8528 20.8528 k = 0.0000 0.2237-0.0000 ( 2529 PWs) bands (ev): -1.7663 -1.7663 -1.7558 -1.7558 -0.9334 -0.9334 -0.9162 -0.9162 -0.9104 -0.9104 4.6036 4.6036 7.0848 7.0848 7.5228 7.5228 7.5316 7.5316 7.5841 7.5841 7.6459 7.6459 7.8847 7.8847 8.7595 8.7595 8.8640 8.8640 9.0445 9.0445 9.4946 9.4946 9.6492 9.6492 9.7137 9.7137 9.8412 9.8412 9.9726 9.9726 10.3465 10.3465 11.1893 11.1893 14.3784 14.3784 14.4828 14.4828 17.1408 17.1408 18.5454 18.5454 20.4520 20.4520 20.7168 20.7168 k = 0.0000 0.2368-0.0000 ( 2521 PWs) bands (ev): -1.7657 -1.7657 -1.7541 -1.7541 -0.9325 -0.9325 -0.9136 -0.9136 -0.9096 -0.9096 4.6588 4.6588 7.1106 7.1106 7.5203 7.5203 7.5286 7.5286 7.5966 7.5966 7.6586 7.6586 7.9087 7.9087 8.7368 8.7368 8.8520 8.8520 9.0350 9.0350 9.4717 9.4717 9.6373 9.6373 9.6657 9.6657 9.8151 9.8151 9.9428 9.9428 10.3447 10.3447 11.0356 11.0356 14.4902 14.4902 14.5952 14.5952 17.1435 17.1435 18.5656 18.5656 20.4421 20.4421 20.5769 20.5769 k = 0.0000 0.2500-0.0000 ( 2521 PWs) bands (ev): -1.7650 -1.7650 -1.7524 -1.7524 -0.9317 -0.9317 -0.9110 -0.9110 -0.9089 -0.9089 4.7168 4.7168 7.1368 7.1368 7.5058 7.5058 7.5344 7.5344 7.6093 7.6093 7.6736 7.6736 7.9334 7.9334 8.7138 8.7138 8.8401 8.8401 9.0256 9.0256 9.4482 9.4482 9.6172 9.6172 9.6233 9.6233 9.7872 9.7872 9.9161 9.9161 10.3427 10.3427 10.8861 10.8861 14.6052 14.6052 14.7109 14.7109 17.1445 17.1445 18.5872 18.5872 20.3781 20.3781 20.4335 20.4335 k = 0.0000 0.2632-0.0000 ( 2533 PWs) bands (ev): -1.7645 -1.7645 -1.7509 -1.7509 -0.9309 -0.9309 -0.9085 -0.9085 -0.9083 -0.9083 4.7774 4.7774 7.1633 7.1633 7.4887 7.4887 7.5403 7.5403 7.6221 7.6221 7.6899 7.6899 7.9587 7.9587 8.6907 8.6907 8.8285 8.8285 9.0167 9.0167 9.4240 9.4240 9.5683 9.5683 9.6067 9.6067 9.7576 9.7576 9.8928 9.8928 10.3404 10.3404 10.7416 10.7416 14.7230 14.7230 14.8298 14.8298 17.1441 17.1441 18.6104 18.6104 20.2794 20.2794 20.2872 20.2872 k = 0.0000 0.2763-0.0000 ( 2537 PWs) bands (ev): -1.7639 -1.7639 -1.7493 -1.7493 -0.9301 -0.9301 -0.9076 -0.9076 -0.9059 -0.9059 4.8405 4.8405 7.1896 7.1896 7.4693 7.4693 7.5463 7.5463 7.6352 7.6352 7.7076 7.7076 7.9843 7.9843 8.6677 8.6677 8.8175 8.8175 9.0082 9.0082 9.3993 9.3993 9.5195 9.5195 9.5876 9.5876 9.7270 9.7270 9.8728 9.8728 10.3373 10.3373 10.6034 10.6034 14.8433 14.8433 14.9516 14.9516 17.1424 17.1424 18.6351 18.6351 20.1386 20.1386 20.1595 20.1595 k = 0.0000 0.2895-0.0000 ( 2533 PWs) bands (ev): -1.7633 -1.7633 -1.7476 -1.7476 -0.9293 -0.9293 -0.9068 -0.9068 -0.9034 -0.9034 4.9060 4.9060 7.2151 7.2151 7.4482 7.4482 7.5522 7.5522 7.6483 7.6483 7.7262 7.7262 8.0103 8.0103 8.6450 8.6450 8.8073 8.8073 9.0004 9.0004 9.3734 9.3734 9.4716 9.4716 9.5658 9.5658 9.6959 9.6959 9.8559 9.8559 10.3308 10.3308 10.4746 10.4746 14.9659 14.9659 15.0761 15.0761 17.1398 17.1398 18.6615 18.6615 19.9881 19.9881 20.0272 20.0272 k = 0.0000 0.3026-0.0000 ( 2525 PWs) bands (ev): -1.7626 -1.7626 -1.7460 -1.7460 -0.9284 -0.9284 -0.9061 -0.9061 -0.9008 -0.9008 4.9737 4.9737 7.2386 7.2386 7.4263 7.4263 7.5580 7.5580 7.6613 7.6613 7.7456 7.7456 8.0364 8.0364 8.6227 8.6227 8.7980 8.7980 8.9931 8.9931 9.3452 9.3452 9.4258 9.4258 9.5416 9.5416 9.6647 9.6647 9.8418 9.8418 10.2999 10.2999 10.3770 10.3770 15.0906 15.0906 15.2032 15.2032 17.1364 17.1364 18.6896 18.6896 19.8361 19.8361 19.8876 19.8876 k = 0.0000 0.3158-0.0000 ( 2521 PWs) bands (ev): -1.7621 -1.7621 -1.7445 -1.7445 -0.9276 -0.9276 -0.9053 -0.9053 -0.8983 -0.8983 5.0435 5.0435 7.2570 7.2570 7.4060 7.4060 7.5638 7.5638 7.6742 7.6742 7.7655 7.7655 8.0624 8.0624 8.6011 8.6011 8.7898 8.7898 8.9865 8.9865 9.3124 9.3124 9.3849 9.3849 9.5153 9.5153 9.6337 9.6337 9.8299 9.8299 10.2043 10.2043 10.3511 10.3511 15.2169 15.2169 15.3325 15.3325 17.1324 17.1324 18.7192 18.7192 19.6831 19.6831 19.7437 19.7437 k = 0.0000 0.3289-0.0000 ( 2521 PWs) bands (ev): -1.7615 -1.7615 -1.7430 -1.7430 -0.9269 -0.9269 -0.9047 -0.9047 -0.8960 -0.8960 5.1151 5.1151 7.2649 7.2649 7.3926 7.3926 7.5694 7.5694 7.6867 7.6867 7.7857 7.7857 8.0880 8.0880 8.5803 8.5803 8.7828 8.7828 8.9806 8.9806 9.2726 9.2726 9.3515 9.3515 9.4875 9.4875 9.6031 9.6031 9.8201 9.8201 10.0961 10.0961 10.3456 10.3456 15.3447 15.3447 15.4640 15.4640 17.1279 17.1279 18.7502 18.7502 19.5298 19.5298 19.5974 19.5974 k = 0.0000 0.3421-0.0000 ( 2525 PWs) bands (ev): -1.7610 -1.7610 -1.7416 -1.7416 -0.9262 -0.9262 -0.9041 -0.9041 -0.8937 -0.8937 5.1883 5.1883 7.2556 7.2556 7.3926 7.3926 7.5747 7.5747 7.6989 7.6989 7.8062 7.8062 8.1131 8.1131 8.5607 8.5607 8.7771 8.7771 8.9754 8.9754 9.2266 9.2266 9.3251 9.3251 9.4587 9.4587 9.5729 9.5729 9.8119 9.8119 9.9929 9.9929 10.3431 10.3431 15.4736 15.4736 15.5974 15.5974 17.1231 17.1231 18.7821 18.7821 19.3769 19.3769 19.4498 19.4498 k = 0.0000 0.3553-0.0000 ( 2533 PWs) bands (ev): -1.7606 -1.7606 -1.7404 -1.7404 -0.9256 -0.9256 -0.9035 -0.9035 -0.8916 -0.8916 5.2628 5.2628 7.2296 7.2296 7.4050 7.4050 7.5799 7.5799 7.7105 7.7105 7.8266 7.8266 8.1373 8.1373 8.5424 8.5424 8.7728 8.7728 8.9711 8.9711 9.1770 9.1770 9.3039 9.3039 9.4295 9.4295 9.5432 9.5432 9.8051 9.8051 9.8970 9.8970 10.3416 10.3416 15.6031 15.6031 15.7324 15.7324 17.1182 17.1182 18.8136 18.8136 19.2263 19.2263 19.3021 19.3021 k = 0.0000 0.3684-0.0000 ( 2545 PWs) bands (ev): -1.7602 -1.7602 -1.7392 -1.7392 -0.9250 -0.9250 -0.9031 -0.9031 -0.8897 -0.8897 5.3381 5.3381 7.1928 7.1928 7.4237 7.4237 7.5847 7.5847 7.7216 7.7216 7.8469 7.8469 8.1604 8.1604 8.5257 8.5257 8.7699 8.7699 8.9676 8.9676 9.1258 9.1258 9.2862 9.2862 9.4005 9.4005 9.5142 9.5142 9.7994 9.7994 9.8091 9.8091 10.3406 10.3406 15.7327 15.7327 15.8689 15.8689 17.1133 17.1133 18.8386 18.8386 19.0844 19.0844 19.1551 19.1551 k = 0.0000 0.3816-0.0000 ( 2537 PWs) bands (ev): -1.7597 -1.7597 -1.7380 -1.7380 -0.9244 -0.9244 -0.9025 -0.9025 -0.8877 -0.8877 5.4137 5.4137 7.1494 7.1494 7.4446 7.4446 7.5893 7.5893 7.7321 7.7321 7.8668 7.8668 8.1822 8.1822 8.5111 8.5111 8.7687 8.7687 8.9652 8.9652 9.0744 9.0744 9.2718 9.2718 9.3723 9.3723 9.4862 9.4862 9.7294 9.7294 9.7948 9.7948 10.3398 10.3398 15.8619 15.8619 16.0065 16.0065 17.1084 17.1084 18.8235 18.8235 18.9853 18.9853 19.0098 19.0098 k = 0.0000 0.3947-0.0000 ( 2541 PWs) bands (ev): -1.7594 -1.7594 -1.7369 -1.7369 -0.9239 -0.9239 -0.9021 -0.9021 -0.8860 -0.8860 5.4891 5.4891 7.1016 7.1016 7.4656 7.4656 7.5935 7.5935 7.7417 7.7417 7.8860 7.8860 8.2025 8.2025 8.4986 8.4986 8.7687 8.7687 8.9636 8.9636 9.0238 9.0238 9.2601 9.2601 9.3453 9.3453 9.4592 9.4592 9.6577 9.6577 9.7909 9.7909 10.3391 10.3391 15.9898 15.9898 16.1448 16.1448 17.1038 17.1038 18.7171 18.7171 18.8671 18.8671 18.9809 18.9809 k = 0.0000 0.4079-0.0000 ( 2541 PWs) bands (ev): -1.7590 -1.7590 -1.7360 -1.7360 -0.9234 -0.9234 -0.9016 -0.9016 -0.8845 -0.8845 5.5633 5.5633 7.0508 7.0508 7.4856 7.4856 7.5973 7.5973 7.7504 7.7504 7.9042 7.9042 8.2209 8.2209 8.4887 8.4887 8.7701 8.7701 8.9629 8.9629 8.9750 8.9750 9.2514 9.2514 9.3200 9.3200 9.4335 9.4335 9.5937 9.5937 9.7877 9.7877 10.3386 10.3386 16.1152 16.1152 16.2832 16.2832 17.0994 17.0994 18.5766 18.5766 18.7284 18.7284 19.0144 19.0144 k = 0.0000 0.4211-0.0000 ( 2533 PWs) bands (ev): -1.7586 -1.7586 -1.7351 -1.7351 -0.9230 -0.9230 -0.9012 -0.9012 -0.8831 -0.8831 5.6353 5.6353 6.9986 6.9986 7.5041 7.5041 7.6008 7.6008 7.7581 7.7581 7.9212 7.9212 8.2373 8.2373 8.4814 8.4814 8.7727 8.7727 8.9289 8.9289 8.9631 8.9631 9.2457 9.2457 9.2967 9.2967 9.4096 9.4096 9.5372 9.5372 9.7851 9.7851 10.3382 10.3382 16.2367 16.2367 16.4209 16.4209 17.0954 17.0954 18.4312 18.4312 18.5952 18.5952 19.0574 19.0574 k = 0.0000 0.4342-0.0000 ( 2533 PWs) bands (ev): -1.7584 -1.7584 -1.7344 -1.7344 -0.9226 -0.9226 -0.9008 -0.9008 -0.8819 -0.8819 5.7036 5.7036 6.9466 6.9466 7.5204 7.5204 7.6037 7.6037 7.7647 7.7647 7.9363 7.9363 8.2515 8.2515 8.4765 8.4765 8.7759 8.7759 8.8866 8.8866 8.9639 8.9639 9.2429 9.2429 9.2760 9.2760 9.3879 9.3879 9.4878 9.4878 9.7830 9.7830 10.3378 10.3378 16.3521 16.3521 16.5566 16.5566 17.0919 17.0919 18.2874 18.2874 18.4699 18.4699 19.1048 19.1048 k = 0.0000 0.4474-0.0000 ( 2529 PWs) bands (ev): -1.7581 -1.7581 -1.7338 -1.7338 -0.9223 -0.9223 -0.9005 -0.9005 -0.8809 -0.8809 5.7662 5.7662 6.8970 6.8970 7.5343 7.5343 7.6062 7.6062 7.7703 7.7703 7.9494 7.9494 8.2632 8.2632 8.4740 8.4740 8.7794 8.7794 8.8492 8.8492 8.9652 8.9652 9.2430 9.2430 9.2583 9.2583 9.3690 9.3690 9.4454 9.4454 9.7814 9.7814 10.3375 10.3375 16.4583 16.4583 16.6883 16.6883 17.0888 17.0888 18.1485 18.1485 18.3554 18.3554 19.1551 19.1551 k = 0.0000 0.4605-0.0000 ( 2544 PWs) bands (ev): -1.7581 -1.7581 -1.7334 -1.7334 -0.9222 -0.9222 -0.9004 -0.9004 -0.8802 -0.8802 5.8205 5.8205 6.8525 6.8525 7.5451 7.5451 7.6081 7.6081 7.7746 7.7746 7.9600 7.9600 8.2724 8.2724 8.4733 8.4733 8.7827 8.7827 8.8179 8.8179 8.9665 8.9665 9.2440 9.2440 9.2457 9.2457 9.3534 9.3534 9.4100 9.4100 9.7802 9.7802 10.3372 10.3372 16.5511 16.5511 16.8119 16.8119 17.0863 17.0863 18.0190 18.0190 18.2562 18.2562 19.2070 19.2070 k = 0.0000 0.4737-0.0000 ( 2544 PWs) bands (ev): -1.7580 -1.7580 -1.7330 -1.7330 -0.9220 -0.9220 -0.9002 -0.9002 -0.8796 -0.8796 5.8632 5.8632 6.8168 6.8168 7.5532 7.5532 7.6095 7.6095 7.7777 7.7777 7.9678 7.9678 8.2790 8.2790 8.4739 8.4739 8.7855 8.7855 8.7941 8.7941 8.9679 8.9679 9.2334 9.2334 9.2502 9.2502 9.3418 9.3418 9.3823 9.3823 9.7793 9.7793 10.3370 10.3370 16.6249 16.6249 16.9200 16.9200 17.0844 17.0844 17.9064 17.9064 18.1779 18.1779 19.2586 19.2586 k = 0.0000 0.4868-0.0000 ( 2560 PWs) bands (ev): -1.7580 -1.7580 -1.7330 -1.7330 -0.9220 -0.9220 -0.9003 -0.9003 -0.8794 -0.8794 5.8908 5.8908 6.7932 6.7932 7.5581 7.5581 7.6103 7.6103 7.7794 7.7794 7.9724 7.9724 8.2830 8.2830 8.4746 8.4746 8.7791 8.7791 8.7873 8.7873 8.9687 8.9687 9.2269 9.2269 9.2548 9.2548 9.3345 9.3345 9.3637 9.3637 9.7788 9.7788 10.3368 10.3368 16.6731 16.6731 16.9990 16.9990 17.0832 17.0832 17.8248 17.8248 18.1270 18.1270 19.3039 19.3039 k = 0.0000 0.5000-0.0000 ( 2560 PWs) bands (ev): -1.7579 -1.7579 -1.7329 -1.7329 -0.9220 -0.9220 -0.9003 -0.9003 -0.8793 -0.8793 5.9004 5.9004 6.7850 6.7850 7.5597 7.5597 7.6106 7.6106 7.7800 7.7800 7.9740 7.9740 8.2844 8.2844 8.4750 8.4750 8.7740 8.7740 8.7879 8.7879 8.9691 8.9691 9.2247 9.2247 9.2569 9.2569 9.3321 9.3321 9.3570 9.3570 9.7787 9.7787 10.3368 10.3368 16.6900 16.6900 17.0291 17.0291 17.0828 17.0828 17.7938 17.7938 18.1093 18.1093 19.3251 19.3251 k = 0.0000 0.5000-0.0000 ( 2560 PWs) bands (ev): -1.7579 -1.7579 -1.7329 -1.7329 -0.9220 -0.9220 -0.9003 -0.9003 -0.8793 -0.8793 5.9004 5.9004 6.7850 6.7850 7.5597 7.5597 7.6106 7.6106 7.7800 7.7800 7.9740 7.9740 8.2844 8.2844 8.4750 8.4750 8.7740 8.7740 8.7879 8.7879 8.9691 8.9691 9.2247 9.2247 9.2569 9.2569 9.3321 9.3321 9.3570 9.3570 9.7787 9.7787 10.3368 10.3368 16.6900 16.6900 17.0291 17.0291 17.0828 17.0828 17.7938 17.7938 18.1093 18.1093 19.3251 19.3251 k = 0.0132 0.5000-0.0000 ( 2556 PWs) bands (ev): -1.7579 -1.7579 -1.7329 -1.7329 -0.9218 -0.9218 -0.9003 -0.9003 -0.8793 -0.8793 5.9013 5.9013 6.7864 6.7864 7.5606 7.5606 7.6111 7.6111 7.7798 7.7798 7.9737 7.9737 8.2841 8.2841 8.4738 8.4738 8.7693 8.7693 8.7906 8.7906 8.9705 8.9705 9.2228 9.2228 9.2576 9.2576 9.3322 9.3322 9.3611 9.3611 9.7785 9.7785 10.3354 10.3354 16.6569 16.6569 16.9556 16.9556 17.1821 17.1821 17.7793 17.7793 18.0923 18.0923 19.3374 19.3374 k = 0.0263 0.5000-0.0000 ( 2536 PWs) bands (ev): -1.7577 -1.7577 -1.7328 -1.7328 -0.9216 -0.9216 -0.9002 -0.9002 -0.8791 -0.8791 5.9039 5.9039 6.7905 6.7905 7.5629 7.5629 7.6127 7.6127 7.7794 7.7794 7.9728 7.9728 8.2831 8.2831 8.4701 8.4701 8.7604 8.7604 8.7941 8.7941 8.9745 8.9745 9.2176 9.2176 9.2601 9.2601 9.3328 9.3328 9.3722 9.3722 9.7782 9.7782 10.3314 10.3314 16.5579 16.5579 16.9081 16.9081 17.3068 17.3068 17.7278 17.7278 18.0574 18.0574 19.3750 19.3750 k = 0.0395 0.5000-0.0000 ( 2536 PWs) bands (ev): -1.7575 -1.7575 -1.7328 -1.7328 -0.9213 -0.9213 -0.9003 -0.9003 -0.8790 -0.8790 5.9081 5.9081 6.7973 6.7973 7.5666 7.5666 7.6154 7.6154 7.7783 7.7783 7.9710 7.9710 8.2814 8.2814 8.4639 8.4639 8.7503 8.7503 8.7953 8.7953 8.9805 8.9805 9.2106 9.2106 9.2643 9.2643 9.3339 9.3339 9.3886 9.3886 9.7777 9.7777 10.3244 10.3244 16.4147 16.4147 16.8959 16.8959 17.4253 17.4253 17.6276 17.6276 18.0334 18.0334 19.4380 19.4380 k = 0.0526 0.5000-0.0000 ( 2532 PWs) bands (ev): -1.7573 -1.7573 -1.7328 -1.7328 -0.9209 -0.9209 -0.9005 -0.9005 -0.8789 -0.8789 5.9140 5.9140 6.8069 6.8069 7.5717 7.5717 7.6191 7.6191 7.7769 7.7769 7.9685 7.9685 8.2790 8.2790 8.4555 8.4555 8.7403 8.7403 8.7938 8.7938 8.9879 8.9879 9.2033 9.2033 9.2699 9.2699 9.3360 9.3360 9.4087 9.4087 9.7772 9.7772 10.3147 10.3147 16.2511 16.2511 16.9010 16.9010 17.4741 17.4741 17.5432 17.5432 18.0303 18.0303 19.5229 19.5229 k = 0.0658 0.5000-0.0000 ( 2532 PWs) bands (ev): -1.7570 -1.7570 -1.7328 -1.7328 -0.9203 -0.9203 -0.9007 -0.9007 -0.8787 -0.8787 5.9216 5.9216 6.8191 6.8191 7.5783 7.5783 7.6238 7.6238 7.7750 7.7750 7.9653 7.9653 8.2759 8.2759 8.4449 8.4449 8.7310 8.7310 8.7898 8.7898 8.9956 8.9956 9.1970 9.1970 9.2760 9.2760 9.3395 9.3395 9.4313 9.4313 9.7768 9.7768 10.3022 10.3022 16.0780 16.0780 16.9146 16.9146 17.3074 17.3074 17.6355 17.6355 18.0434 18.0434 19.6149 19.6149 k = 0.0789 0.5000-0.0000 ( 2534 PWs) bands (ev): -1.7566 -1.7566 -1.7329 -1.7329 -0.9197 -0.9197 -0.9010 -0.9010 -0.8785 -0.8785 5.9308 5.9308 6.8339 6.8339 7.5863 7.5863 7.6294 7.6294 7.7727 7.7727 7.9614 7.9614 8.2721 8.2721 8.4326 8.4326 8.7226 8.7226 8.7838 8.7838 9.0028 9.0028 9.1924 9.1924 9.2816 9.2816 9.3451 9.3451 9.4559 9.4559 9.7771 9.7771 10.2872 10.2872 15.8999 15.8999 16.9303 16.9303 17.1241 17.1241 17.7209 17.7209 18.0677 18.0677 19.6748 19.6748 k = 0.0921 0.5000-0.0000 ( 2526 PWs) bands (ev): -1.7562 -1.7562 -1.7329 -1.7329 -0.9189 -0.9189 -0.9013 -0.9013 -0.8782 -0.8782 5.9416 5.9416 6.8513 6.8513 7.5955 7.5955 7.6363 7.6363 7.7700 7.7700 7.9569 7.9569 8.2674 8.2674 8.4188 8.4188 8.7154 8.7154 8.7762 8.7762 9.0088 9.0088 9.1901 9.1901 9.2857 9.2857 9.3532 9.3532 9.4820 9.4820 9.7782 9.7782 10.2697 10.2697 15.7194 15.7194 16.8865 16.8865 16.9965 16.9965 17.7964 17.7964 18.1006 18.1006 19.7070 19.7070 k = 0.1053 0.5000-0.0000 ( 2524 PWs) bands (ev): -1.7557 -1.7557 -1.7330 -1.7330 -0.9181 -0.9181 -0.9017 -0.9017 -0.8779 -0.8779 5.9540 5.9540 6.8711 6.8711 7.6060 7.6060 7.6441 7.6441 7.7668 7.7668 7.9519 7.9519 8.2620 8.2620 8.4040 8.4040 8.7092 8.7092 8.7676 8.7676 9.0130 9.0130 9.1902 9.1902 9.2879 9.2879 9.3636 9.3636 9.5092 9.5092 9.7804 9.7804 10.2499 10.2499 15.5380 15.5380 16.7008 16.7008 17.0102 17.0102 17.8633 17.8633 18.1406 18.1406 19.7320 19.7320 k = 0.1184 0.5000-0.0000 ( 2528 PWs) bands (ev): -1.7552 -1.7552 -1.7331 -1.7331 -0.9172 -0.9172 -0.9021 -0.9021 -0.8776 -0.8776 5.9679 5.9679 6.8934 6.8934 7.6176 7.6176 7.6529 7.6529 7.7633 7.7633 7.9462 7.9462 8.2556 8.2556 8.3884 8.3884 8.7042 8.7042 8.7582 8.7582 9.0155 9.0155 9.1924 9.1924 9.2883 9.2883 9.3752 9.3752 9.5375 9.5375 9.7844 9.7844 10.2278 10.2278 15.3568 15.3568 16.4967 16.4967 17.0444 17.0444 17.9234 17.9234 18.1867 18.1867 19.7555 19.7555 k = 0.1316 0.5000-0.0000 ( 2528 PWs) bands (ev): -1.7547 -1.7547 -1.7332 -1.7332 -0.9162 -0.9162 -0.9026 -0.9026 -0.8772 -0.8772 5.9833 5.9833 6.9179 6.9179 7.6302 7.6302 7.6627 7.6627 7.7592 7.7592 7.9401 7.9401 8.2484 8.2484 8.3724 8.3724 8.7002 8.7002 8.7486 8.7486 9.0163 9.0163 9.1966 9.1966 9.2872 9.2872 9.3870 9.3870 9.5669 9.5669 9.7907 9.7907 10.2036 10.2036 15.1764 15.1764 16.2895 16.2895 17.0851 17.0851 17.9784 17.9784 18.2383 18.2383 19.7794 19.7794 k = 0.1447 0.5000-0.0000 ( 2528 PWs) bands (ev): -1.7541 -1.7541 -1.7333 -1.7333 -0.9152 -0.9152 -0.9031 -0.9031 -0.8767 -0.8767 6.0001 6.0001 6.9447 6.9447 7.6437 7.6437 7.6734 7.6734 7.7549 7.7549 7.9336 7.9336 8.2405 8.2405 8.3565 8.3565 8.6970 8.6970 8.7390 8.7390 9.0158 9.0158 9.2020 9.2020 9.2849 9.2849 9.3977 9.3977 9.5975 9.5975 9.7999 9.7999 10.1776 10.1776 14.9974 14.9974 16.0818 16.0818 17.1307 17.1307 18.0298 18.0298 18.2951 18.2951 19.8045 19.8045 k = 0.1579 0.5000-0.0000 ( 2530 PWs) bands (ev): -1.7535 -1.7535 -1.7334 -1.7334 -0.9141 -0.9141 -0.9036 -0.9036 -0.8762 -0.8762 6.0183 6.0183 6.9736 6.9736 7.6579 7.6579 7.6850 7.6850 7.7501 7.7501 7.9268 7.9268 8.2319 8.2319 8.3408 8.3408 8.6946 8.6946 8.7297 8.7297 9.0145 9.0145 9.2084 9.2084 9.2815 9.2815 9.4061 9.4061 9.6295 9.6295 9.8123 9.8123 10.1498 10.1498 14.8205 14.8205 15.8746 15.8746 17.1808 17.1808 18.0789 18.0789 18.3566 18.3566 19.8310 19.8310 k = 0.1711 0.5000-0.0000 ( 2530 PWs) bands (ev): -1.7529 -1.7529 -1.7335 -1.7335 -0.9130 -0.9130 -0.9042 -0.9042 -0.8756 -0.8756 6.0378 6.0378 7.0043 7.0043 7.6724 7.6724 7.6975 7.6975 7.7450 7.7450 7.9198 7.9198 8.2229 8.2229 8.3256 8.3256 8.6930 8.6930 8.7208 8.7208 9.0128 9.0128 9.2152 9.2152 9.2773 9.2773 9.4114 9.4114 9.6631 9.6631 9.8281 9.8281 10.1207 10.1207 14.6459 14.6459 15.6687 15.6687 17.2351 17.2351 18.1266 18.1266 18.4226 18.4226 19.8593 19.8593 k = 0.1842 0.5000-0.0000 ( 2538 PWs) bands (ev): -1.7523 -1.7523 -1.7336 -1.7336 -0.9119 -0.9119 -0.9048 -0.9048 -0.8749 -0.8749 6.0586 6.0586 7.0369 7.0369 7.6872 7.6872 7.7107 7.7107 7.7398 7.7398 7.9128 7.9128 8.2135 8.2135 8.3110 8.3110 8.6919 8.6919 8.7125 8.7125 9.0108 9.0108 9.2221 9.2221 9.2724 9.2724 9.4131 9.4131 9.6984 9.6984 9.8471 9.8471 10.0902 10.0902 14.4740 14.4740 15.4645 15.4645 17.2934 17.2934 18.1736 18.1736 18.4929 18.4929 19.8895 19.8895 k = 0.1974 0.5000-0.0000 ( 2534 PWs) bands (ev): -1.7515 -1.7515 -1.7338 -1.7338 -0.9108 -0.9108 -0.9054 -0.9054 -0.8742 -0.8742 6.0804 6.0804 7.0710 7.0710 7.7017 7.7017 7.7235 7.7235 7.7356 7.7356 7.9059 7.9059 8.2043 8.2043 8.2971 8.2971 8.6914 8.6914 8.7050 8.7050 9.0088 9.0088 9.2287 9.2287 9.2669 9.2669 9.4113 9.4113 9.7354 9.7354 9.8691 9.8691 10.0592 10.0592 14.3052 14.3052 15.2625 15.2625 17.3556 17.3556 18.2204 18.2204 18.5673 18.5673 19.9218 19.9218 k = 0.2105 0.5000-0.0000 ( 2534 PWs) bands (ev): -1.7508 -1.7508 -1.7339 -1.7339 -0.9096 -0.9096 -0.9061 -0.9061 -0.8734 -0.8734 6.1033 6.1033 7.1065 7.1065 7.7153 7.7153 7.7256 7.7256 7.7427 7.7427 7.8994 7.8994 8.1955 8.1955 8.2840 8.2840 8.6912 8.6912 8.6983 8.6983 9.0071 9.0071 9.2343 9.2343 9.2614 9.2614 9.4061 9.4061 9.7739 9.7739 9.8934 9.8934 10.0283 10.0283 14.1396 14.1396 15.0629 15.0629 17.4216 17.4216 18.2675 18.2675 18.6458 18.6458 19.9562 19.9562 k = 0.2237 0.5000-0.0000 ( 2534 PWs) bands (ev): -1.7501 -1.7501 -1.7340 -1.7340 -0.9086 -0.9086 -0.9067 -0.9067 -0.8725 -0.8725 6.1272 6.1272 7.1431 7.1431 7.7190 7.7190 7.7290 7.7290 7.7579 7.7579 7.8936 7.8936 8.1874 8.1874 8.2718 8.2718 8.6905 8.6905 8.6934 8.6934 9.0056 9.0056 9.2370 9.2370 9.2577 9.2577 9.3977 9.3977 9.8131 9.8131 9.9179 9.9179 10.0001 10.0001 13.9775 13.9775 14.8660 14.8660 17.4912 17.4912 18.3151 18.3151 18.7280 18.7280 19.9928 19.9928 k = 0.2368 0.5000-0.0000 ( 2538 PWs) bands (ev): -1.7494 -1.7494 -1.7342 -1.7342 -0.9079 -0.9079 -0.9069 -0.9069 -0.8716 -0.8716 6.1518 6.1518 7.1806 7.1806 7.7127 7.7127 7.7399 7.7399 7.7744 7.7744 7.8889 7.8889 8.1803 8.1803 8.2605 8.2605 8.6866 8.6866 8.6929 8.6929 9.0044 9.0044 9.2340 9.2340 9.2584 9.2584 9.3867 9.3867 9.8505 9.8505 9.9336 9.9336 9.9858 9.9858 13.8192 13.8192 14.6720 14.6720 17.5643 17.5643 18.3634 18.3634 18.8139 18.8139 20.0316 20.0316 k = 0.2500 0.5000-0.0000 ( 2546 PWs) bands (ev): -1.7488 -1.7488 -1.7344 -1.7344 -0.9084 -0.9084 -0.9062 -0.9062 -0.8707 -0.8707 6.1772 6.1772 7.2186 7.2186 7.7057 7.7057 7.7488 7.7488 7.7914 7.7914 7.8858 7.8858 8.1744 8.1744 8.2505 8.2505 8.6825 8.6825 8.6937 8.6937 9.0035 9.0035 9.2263 9.2263 9.2625 9.2625 9.3734 9.3734 9.8734 9.8734 9.9355 9.9355 10.0031 10.0031 13.6648 13.6648 14.4812 14.4812 17.6408 17.6408 18.4127 18.4127 18.9032 18.9032 20.0727 20.0727 k = 0.2632 0.5000-0.0000 ( 2542 PWs) bands (ev): -1.7480 -1.7480 -1.7345 -1.7345 -0.9090 -0.9090 -0.9051 -0.9051 -0.8696 -0.8696 6.2031 6.2031 7.2569 7.2569 7.6985 7.6985 7.7551 7.7551 7.8090 7.8090 7.8847 7.8847 8.1697 8.1697 8.2421 8.2421 8.6792 8.6792 8.6950 8.6950 9.0030 9.0030 9.2164 9.2164 9.2674 9.2674 9.3584 9.3584 9.8604 9.8604 9.9607 9.9607 10.0362 10.0362 13.5147 13.5147 14.2936 14.2936 17.7203 17.7203 18.4630 18.4630 18.9957 18.9957 20.1161 20.1161 k = 0.2763 0.5000-0.0000 ( 2542 PWs) bands (ev): -1.7473 -1.7473 -1.7347 -1.7347 -0.9096 -0.9096 -0.9041 -0.9041 -0.8685 -0.8685 6.2294 6.2294 7.2950 7.2950 7.6912 7.6912 7.7584 7.7584 7.8268 7.8268 7.8857 7.8857 8.1660 8.1660 8.2359 8.2359 8.6768 8.6768 8.6964 8.6964 9.0028 9.0028 9.2050 9.2050 9.2723 9.2723 9.3420 9.3420 9.8311 9.8311 9.9988 9.9988 10.0757 10.0757 13.3690 13.3690 14.1095 14.1095 17.8029 17.8029 18.5143 18.5143 19.0913 19.0913 20.1618 20.1618 k = 0.2895 0.5000-0.0000 ( 2538 PWs) bands (ev): -1.7467 -1.7467 -1.7348 -1.7348 -0.9103 -0.9103 -0.9032 -0.9032 -0.8674 -0.8674 6.2560 6.2560 7.3325 7.3325 7.6836 7.6836 7.7589 7.7589 7.8445 7.8445 7.8892 7.8892 8.1627 8.1627 8.2327 8.2327 8.6754 8.6754 8.6979 8.6979 9.0028 9.0028 9.1925 9.1925 9.2765 9.2765 9.3250 9.3250 9.7982 9.7982 10.0385 10.0385 10.1203 10.1203 13.2280 13.2280 13.9291 13.9291 17.8883 17.8883 18.5667 18.5667 19.1896 19.1896 20.2098 20.2098 k = 0.3026 0.5000-0.0000 ( 2534 PWs) bands (ev): -1.7460 -1.7460 -1.7349 -1.7349 -0.9109 -0.9109 -0.9023 -0.9023 -0.8662 -0.8662 6.2827 6.2827 7.3690 7.3690 7.6760 7.6760 7.7571 7.7571 7.8614 7.8614 7.8955 7.8955 8.1591 8.1591 8.2330 8.2330 8.6750 8.6750 8.6995 8.6995 9.0030 9.0030 9.1789 9.1789 9.2784 9.2784 9.3091 9.3091 9.7644 9.7644 10.0775 10.0775 10.1697 10.1697 13.0919 13.0919 13.7525 13.7525 17.9763 17.9763 18.6200 18.6200 19.2905 19.2905 20.2602 20.2602 k = 0.3158 0.5000-0.0000 ( 2536 PWs) bands (ev): -1.7454 -1.7454 -1.7350 -1.7350 -0.9115 -0.9115 -0.9015 -0.9015 -0.8651 -0.8651 6.3092 6.3092 7.4037 7.4037 7.6683 7.6683 7.7535 7.7535 7.8760 7.8760 7.9056 7.9056 8.1549 8.1549 8.2373 8.2373 8.6756 8.6756 8.7010 8.7010 9.0032 9.0032 9.1645 9.1645 9.2723 9.2723 9.2998 9.2998 9.7307 9.7307 10.1154 10.1154 10.2233 10.2233 12.9609 12.9609 13.5800 13.5800 18.0666 18.0666 18.6743 18.6743 19.3936 19.3936 20.3129 20.3129 k = 0.3289 0.5000-0.0000 ( 2538 PWs) bands (ev): -1.7448 -1.7448 -1.7351 -1.7351 -0.9121 -0.9121 -0.9007 -0.9007 -0.8639 -0.8639 6.3355 6.3355 7.4364 7.4364 7.6606 7.6606 7.7487 7.7487 7.8873 7.8873 7.9204 7.9204 8.1502 8.1502 8.2449 8.2449 8.6773 8.6773 8.7025 8.7025 9.0033 9.0033 9.1494 9.1494 9.2565 9.2565 9.2996 9.2996 9.6976 9.6976 10.1524 10.1524 10.2806 10.2806 12.8352 12.8352 13.4116 13.4116 18.1589 18.1589 18.7292 18.7292 19.4987 19.4987 20.3679 20.3679 k = 0.3421 0.5000-0.0000 ( 2530 PWs) bands (ev): -1.7442 -1.7442 -1.7352 -1.7352 -0.9126 -0.9126 -0.9000 -0.9000 -0.8627 -0.8627 6.3612 6.3612 7.4663 7.4663 7.6530 7.6530 7.7434 7.7434 7.8963 7.8963 7.9387 7.9387 8.1454 8.1454 8.2552 8.2552 8.6801 8.6801 8.7038 8.7038 9.0033 9.0033 9.1340 9.1340 9.2368 9.2368 9.3023 9.3023 9.6655 9.6655 10.1888 10.1888 10.3411 10.3411 12.7154 12.7154 13.2477 13.2477 18.2530 18.2530 18.7846 18.7846 19.6055 19.6055 20.4251 20.4251 k = 0.3553 0.5000-0.0000 ( 2530 PWs) bands (ev): -1.7437 -1.7437 -1.7353 -1.7353 -0.9132 -0.9132 -0.8994 -0.8994 -0.8616 -0.8616 6.3862 6.3862 7.4931 7.4931 7.6455 7.6455 7.7379 7.7379 7.9044 7.9044 7.9590 7.9590 8.1408 8.1408 8.2672 8.2672 8.6841 8.6841 8.7049 8.7049 9.0030 9.0030 9.1184 9.1184 9.2158 9.2158 9.3056 9.3056 9.6347 9.6347 10.2244 10.2244 10.4045 10.4045 12.6016 12.6016 13.0885 13.0885 18.3483 18.3483 18.8402 18.8402 19.7134 19.7134 20.4845 20.4845 k = 0.3684 0.5000-0.0000 ( 2534 PWs) bands (ev): -1.7433 -1.7433 -1.7354 -1.7354 -0.9137 -0.9137 -0.8988 -0.8988 -0.8606 -0.8606 6.4102 6.4102 7.5164 7.5164 7.6382 7.6382 7.7323 7.7323 7.9123 7.9123 7.9803 7.9803 8.1371 8.1371 8.2800 8.2800 8.6888 8.6888 8.7061 8.7061 9.0023 9.0023 9.1031 9.1031 9.1941 9.1941 9.3090 9.3090 9.6054 9.6054 10.2594 10.2594 10.4705 10.4705 12.4942 12.4942 12.9343 12.9343 18.4445 18.4445 18.8955 18.8955 19.8221 19.8221 20.5459 20.5459 k = 0.3816 0.5000-0.0000 ( 2534 PWs) bands (ev): -1.7429 -1.7429 -1.7354 -1.7354 -0.9142 -0.9142 -0.8983 -0.8983 -0.8595 -0.8595 6.4330 6.4330 7.5361 7.5361 7.6311 7.6311 7.7271 7.7271 7.9201 7.9201 8.0022 8.0022 8.1346 8.1346 8.2927 8.2927 8.6933 8.6933 8.7087 8.7087 9.0011 9.0011 9.0884 9.0884 9.1722 9.1722 9.3122 9.3122 9.5781 9.5781 10.2935 10.2935 10.5388 10.5388 12.3937 12.3937 12.7855 12.7855 18.5408 18.5408 18.9500 18.9500 19.9309 19.9309 20.6090 20.6090 k = 0.3947 0.5000-0.0000 ( 2534 PWs) bands (ev): -1.7425 -1.7425 -1.7355 -1.7355 -0.9146 -0.9146 -0.8978 -0.8978 -0.8586 -0.8586 6.4543 6.4543 7.5521 7.5521 7.6244 7.6244 7.7223 7.7223 7.9277 7.9277 8.0241 8.0241 8.1338 8.1338 8.3046 8.3046 8.6954 8.6954 8.7145 8.7145 8.9992 8.9992 9.0748 9.0748 9.1502 9.1502 9.3152 9.3152 9.5529 9.5529 10.3265 10.3265 10.6090 10.6090 12.3007 12.3007 12.6425 12.6425 18.6365 18.6365 19.0030 19.0030 20.0390 20.0390 20.6735 20.6735 k = 0.4079 0.5000-0.0000 ( 2528 PWs) bands (ev): -1.7422 -1.7422 -1.7355 -1.7355 -0.9149 -0.9149 -0.8974 -0.8974 -0.8577 -0.8577 6.4739 6.4739 7.5647 7.5647 7.6182 7.6182 7.7181 7.7181 7.9348 7.9348 8.0452 8.0452 8.1353 8.1353 8.3150 8.3150 8.6947 8.6947 8.7240 8.7240 8.9966 8.9966 9.0625 9.0625 9.1285 9.1285 9.3180 9.3180 9.5301 9.5301 10.3580 10.3580 10.6807 10.6807 12.2157 12.2157 12.5062 12.5062 18.7305 18.7305 19.0538 19.0538 20.1454 20.1454 20.7387 20.7387 k = 0.4211 0.5000-0.0000 ( 2526 PWs) bands (ev): -1.7419 -1.7419 -1.7355 -1.7355 -0.9153 -0.9153 -0.8971 -0.8971 -0.8569 -0.8569 6.4915 6.4915 7.5744 7.5744 7.6125 7.6125 7.7145 7.7145 7.9411 7.9411 8.0640 8.0640 8.1399 8.1399 8.3234 8.3234 8.6923 8.6923 8.7359 8.7359 8.9933 8.9933 9.0517 9.0517 9.1076 9.1076 9.3204 9.3204 9.5099 9.5099 10.3875 10.3875 10.7531 10.7531 12.1394 12.1394 12.3774 12.3774 18.8215 18.8215 19.1013 19.1013 20.2487 20.2487 20.8037 20.8037 k = 0.4342 0.5000-0.0000 ( 2522 PWs) bands (ev): -1.7417 -1.7417 -1.7355 -1.7355 -0.9155 -0.9155 -0.8968 -0.8968 -0.8562 -0.8562 6.5068 6.5068 7.5814 7.5814 7.6075 7.6075 7.7114 7.7114 7.9465 7.9465 8.0792 8.0792 8.1484 8.1484 8.3295 8.3295 8.6890 8.6890 8.7493 8.7493 8.9893 8.9893 9.0426 9.0426 9.0880 9.0880 9.3225 9.3225 9.4925 9.4925 10.4143 10.4143 10.8249 10.8249 12.0726 12.0726 12.2575 12.2575 18.9077 18.9077 19.1442 19.1442 20.3469 20.3469 20.8639 20.8639 k = 0.4474 0.5000-0.0000 ( 2520 PWs) bands (ev): -1.7415 -1.7415 -1.7354 -1.7354 -0.9158 -0.9158 -0.8965 -0.8965 -0.8556 -0.8556 6.5198 6.5198 7.5863 7.5863 7.6034 7.6034 7.7090 7.7090 7.9507 7.9507 8.0899 8.0899 8.1604 8.1604 8.3333 8.3333 8.6853 8.6853 8.7634 8.7634 8.9843 8.9843 9.0354 9.0354 9.0705 9.0705 9.3242 9.3242 9.4781 9.4781 10.4379 10.4379 10.8941 10.8941 12.0162 12.0162 12.1487 12.1487 18.9867 18.9867 19.1812 19.1812 20.4372 20.4372 20.8241 20.8241 k = 0.4605 0.5000-0.0000 ( 2520 PWs) bands (ev): -1.7414 -1.7414 -1.7354 -1.7354 -0.9159 -0.9159 -0.8963 -0.8963 -0.8552 -0.8552 6.5301 6.5301 7.5893 7.5893 7.6003 7.6003 7.7071 7.7071 7.9538 7.9538 8.0967 8.0967 8.1738 8.1738 8.3349 8.3349 8.6816 8.6816 8.7772 8.7772 8.9783 8.9783 9.0303 9.0303 9.0558 9.0558 9.3255 9.3255 9.4667 9.4667 10.4573 10.4573 10.9577 10.9577 11.9709 11.9709 12.0543 12.0543 19.0555 19.0555 19.2108 19.2108 20.5159 20.5159 20.7470 20.7470 k = 0.4737 0.5000-0.0000 ( 2520 PWs) bands (ev): -1.7413 -1.7413 -1.7354 -1.7354 -0.9161 -0.9161 -0.8962 -0.8962 -0.8548 -0.8548 6.5375 6.5375 7.5907 7.5907 7.5986 7.5986 7.7057 7.7057 7.9560 7.9560 8.1010 8.1010 8.1860 8.1860 8.3350 8.3350 8.6785 8.6785 8.7892 8.7892 8.9718 8.9718 9.0277 9.0277 9.0444 9.0444 9.3264 9.3264 9.4585 9.4585 10.4718 10.4718 11.0108 11.0108 11.9376 11.9376 11.9793 11.9793 19.1104 19.1104 19.2317 19.2317 20.5777 20.5777 20.6876 20.6876 k = 0.4868 0.5000-0.0000 ( 2516 PWs) bands (ev): -1.7412 -1.7412 -1.7354 -1.7354 -0.9161 -0.9161 -0.8961 -0.8961 -0.8546 -0.8546 6.5421 6.5421 7.5909 7.5909 7.5980 7.5980 7.7049 7.7049 7.9572 7.9572 8.1033 8.1033 8.1945 8.1945 8.3345 8.3345 8.6764 8.6764 8.7977 8.7977 8.9665 8.9665 9.0278 9.0278 9.0361 9.0361 9.3270 9.3270 9.4537 9.4537 10.4809 10.4809 11.0471 11.0471 11.9161 11.9161 11.9311 11.9311 19.1467 19.1467 19.2433 19.2433 20.6142 20.6142 20.6536 20.6536 k = 0.5000 0.5000-0.0000 ( 2496 PWs) bands (ev): -1.7411 -1.7411 -1.7353 -1.7353 -0.9160 -0.9160 -0.8960 -0.8960 -0.8544 -0.8544 6.5436 6.5436 7.5910 7.5910 7.5981 7.5981 7.7047 7.7047 7.9577 7.9577 8.1040 8.1040 8.1976 8.1976 8.3343 8.3343 8.6758 8.6758 8.8009 8.8009 8.9646 8.9646 9.0307 9.0307 9.0307 9.0307 9.3273 9.3273 9.4521 9.4521 10.4840 10.4840 11.0601 11.0601 11.9064 11.9064 11.9167 11.9167 19.1597 19.1597 19.2469 19.2469 20.6201 20.6201 20.6488 20.6488 k = 0.5000 0.5000-0.0000 ( 2496 PWs) bands (ev): -1.7411 -1.7411 -1.7353 -1.7353 -0.9160 -0.9160 -0.8960 -0.8960 -0.8544 -0.8544 6.5436 6.5436 7.5910 7.5910 7.5981 7.5981 7.7047 7.7047 7.9577 7.9577 8.1040 8.1040 8.1976 8.1976 8.3343 8.3343 8.6758 8.6758 8.8009 8.8009 8.9646 8.9646 9.0307 9.0307 9.0307 9.0307 9.3273 9.3273 9.4521 9.4521 10.4840 10.4840 11.0601 11.0601 11.9064 11.9064 11.9167 11.9167 19.1597 19.1597 19.2469 19.2469 20.6201 20.6201 20.6488 20.6488 k = 0.4907 0.4907-0.0000 ( 2516 PWs) bands (ev): -1.7412 -1.7412 -1.7354 -1.7354 -0.9161 -0.9161 -0.8961 -0.8961 -0.8546 -0.8546 6.5421 6.5421 7.5909 7.5909 7.5981 7.5981 7.7050 7.7050 7.9572 7.9572 8.1033 8.1033 8.1945 8.1945 8.3345 8.3345 8.6764 8.6764 8.7978 8.7978 8.9665 8.9665 9.0279 9.0279 9.0360 9.0360 9.3270 9.3270 9.4536 9.4536 10.4809 10.4809 11.0474 11.0474 11.9110 11.9110 11.9358 11.9358 19.1468 19.1468 19.2434 19.2434 20.6197 20.6197 20.6481 20.6481 k = 0.4815 0.4815-0.0000 ( 2520 PWs) bands (ev): -1.7413 -1.7413 -1.7354 -1.7354 -0.9161 -0.9161 -0.8962 -0.8962 -0.8548 -0.8548 6.5375 6.5375 7.5900 7.5900 7.5992 7.5992 7.7059 7.7059 7.9561 7.9561 8.1011 8.1011 8.1859 8.1859 8.3350 8.3350 8.6777 8.6777 8.7902 8.7902 8.9716 8.9716 9.0284 9.0284 9.0436 9.0436 9.3265 9.3265 9.4584 9.4584 10.4710 10.4710 11.0144 11.0144 11.9135 11.9135 12.0003 12.0003 19.1097 19.1097 19.2319 19.2319 20.6178 20.6178 20.6475 20.6475 k = 0.4722 0.4722-0.0000 ( 2520 PWs) bands (ev): -1.7414 -1.7414 -1.7354 -1.7354 -0.9159 -0.9159 -0.8963 -0.8963 -0.8552 -0.8552 6.5298 6.5298 7.5871 7.5871 7.6023 7.6023 7.7077 7.7077 7.9542 7.9542 8.0977 8.0977 8.1728 8.1728 8.3348 8.3348 8.6775 8.6775 8.7821 8.7821 8.9777 8.9777 9.0327 9.0327 9.0533 9.0533 9.3256 9.3256 9.4664 9.4664 10.4531 10.4531 10.9720 10.9720 11.9167 11.9167 12.0976 12.0976 19.0516 19.0516 19.2112 19.2112 20.6130 20.6130 20.6502 20.6502 k = 0.4630 0.4630-0.0000 ( 2520 PWs) bands (ev): -1.7415 -1.7415 -1.7354 -1.7354 -0.9158 -0.9158 -0.8965 -0.8965 -0.8556 -0.8556 6.5187 6.5187 7.5821 7.5821 7.6068 7.6068 7.7110 7.7110 7.9517 7.9517 8.0931 8.0931 8.1566 8.1566 8.3329 8.3329 8.6720 8.6720 8.7787 8.7787 8.9829 8.9829 9.0411 9.0411 9.0647 9.0647 9.3244 9.3244 9.4773 9.4773 10.4252 10.4252 10.9311 10.9311 11.9210 11.9210 12.2182 12.2182 18.9752 18.9752 19.1814 19.1814 20.6065 20.6065 20.6570 20.6570 k = 0.4537 0.4537-0.0000 ( 2522 PWs) bands (ev): -1.7417 -1.7417 -1.7355 -1.7355 -0.9156 -0.9156 -0.8967 -0.8967 -0.8562 -0.8562 6.5041 6.5041 7.5752 7.5752 7.6123 7.6123 7.7160 7.7160 7.9488 7.9488 8.0876 8.0876 8.1385 8.1385 8.3286 8.3286 8.6584 8.6584 8.7838 8.7838 8.9870 8.9870 9.0529 9.0529 9.0776 9.0776 9.3229 9.3229 9.4909 9.4909 10.3864 10.3864 10.8988 10.8988 11.9265 11.9265 12.3556 12.3556 18.8829 18.8829 19.1435 19.1435 20.6005 20.6005 20.6675 20.6675 k = 0.4444 0.4444-0.0000 ( 2522 PWs) bands (ev): -1.7419 -1.7419 -1.7355 -1.7355 -0.9153 -0.9153 -0.8970 -0.8970 -0.8569 -0.8569 6.4856 6.4856 7.5665 7.5665 7.6180 7.6180 7.7231 7.7231 7.9456 7.9456 8.0813 8.0813 8.1195 8.1195 8.3217 8.3217 8.6376 8.6376 8.7972 8.7972 8.9905 8.9905 9.0672 9.0672 9.0914 9.0914 9.3213 9.3213 9.5071 9.5071 10.3374 10.3374 10.8783 10.8783 11.9332 11.9332 12.5056 12.5056 18.7771 18.7771 19.0990 19.0990 20.5966 20.5966 20.6811 20.6811 k = 0.4352 0.4352-0.0000 ( 2524 PWs) bands (ev): -1.7421 -1.7421 -1.7356 -1.7356 -0.9150 -0.9150 -0.8973 -0.8973 -0.8578 -0.8578 6.4631 6.4631 7.5565 7.5565 7.6236 7.6236 7.7324 7.7324 7.9422 7.9422 8.0746 8.0746 8.1007 8.1007 8.3121 8.3121 8.6121 8.6121 8.8166 8.8166 8.9939 8.9939 9.0833 9.0833 9.1057 9.1057 9.3196 9.3196 9.5254 9.5254 10.2805 10.2805 10.8694 10.8694 11.9411 11.9411 12.6657 12.6657 18.6601 18.6601 19.0492 19.0492 20.5956 20.5956 20.6976 20.6976 k = 0.4259 0.4259-0.0000 ( 2534 PWs) bands (ev): -1.7425 -1.7425 -1.7357 -1.7357 -0.9148 -0.9148 -0.8977 -0.8977 -0.8588 -0.8588 6.4362 6.4362 7.5455 7.5455 7.6284 7.6284 7.7435 7.7435 7.9388 7.9388 8.0672 8.0672 8.0832 8.0832 8.2999 8.2999 8.5839 8.5839 8.8399 8.8399 8.9975 8.9975 9.1006 9.1006 9.1200 9.1200 9.3179 9.3179 9.5455 9.5455 10.2189 10.2189 10.8707 10.8707 11.9502 11.9502 12.8340 12.8340 18.5339 18.5339 18.9955 18.9955 20.5978 20.5978 20.7168 20.7168 k = 0.4167 0.4167-0.0000 ( 2538 PWs) bands (ev): -1.7428 -1.7428 -1.7357 -1.7357 -0.9145 -0.9145 -0.8981 -0.8981 -0.8599 -0.8599 6.4046 6.4046 7.5341 7.5341 7.6323 7.6323 7.7559 7.7559 7.9354 7.9354 8.0578 8.0578 8.0698 8.0698 8.2856 8.2856 8.5541 8.5541 8.8662 8.8662 9.0016 9.0016 9.1187 9.1187 9.1343 9.1343 9.3166 9.3166 9.5672 9.5672 10.1552 10.1552 10.8800 10.8800 11.9606 11.9606 13.0095 13.0095 18.4005 18.4005 18.9392 18.9392 20.6031 20.6031 20.7385 20.7385 k = 0.4074 0.4074-0.0000 ( 2536 PWs) bands (ev): -1.7432 -1.7432 -1.7358 -1.7358 -0.9141 -0.9141 -0.8985 -0.8985 -0.8611 -0.8611 6.3683 6.3683 7.5227 7.5227 7.6351 7.6351 7.7686 7.7686 7.9320 7.9320 8.0458 8.0458 8.0624 8.0624 8.2695 8.2695 8.5238 8.5238 8.8944 8.8944 9.0065 9.0065 9.1370 9.1370 9.1486 9.1486 9.3159 9.3159 9.5903 9.5903 10.0918 10.0918 10.8957 10.8957 11.9722 11.9722 13.1912 13.1912 18.2613 18.2613 18.8812 18.8812 20.6114 20.6114 20.7627 20.7627 k = 0.3981 0.3981-0.0000 ( 2536 PWs) bands (ev): -1.7436 -1.7436 -1.7359 -1.7359 -0.9138 -0.9138 -0.8990 -0.8990 -0.8624 -0.8624 6.3271 6.3271 7.5117 7.5117 7.6364 7.6364 7.7802 7.7802 7.9284 7.9284 8.0346 8.0346 8.0589 8.0589 8.2522 8.2522 8.4938 8.4938 8.9234 8.9234 9.0123 9.0123 9.1537 9.1537 9.1638 9.1638 9.3162 9.3162 9.6145 9.6145 10.0303 10.0303 10.9167 10.9167 11.9851 11.9851 13.3784 13.3784 18.1178 18.1178 18.8225 18.8225 20.6224 20.6224 20.7892 20.7892 k = 0.3889 0.3889-0.0000 ( 2536 PWs) bands (ev): -1.7441 -1.7441 -1.7360 -1.7360 -0.9135 -0.9135 -0.8995 -0.8995 -0.8638 -0.8638 6.2810 6.2810 7.5015 7.5015 7.6364 7.6364 7.7893 7.7893 7.9242 7.9242 8.0266 8.0266 8.0582 8.0582 8.2346 8.2346 8.4647 8.4647 8.9517 8.9517 9.0203 9.0203 9.1674 9.1674 9.1807 9.1807 9.3182 9.3182 9.6394 9.6394 9.9718 9.9718 10.9419 10.9419 11.9993 11.9993 13.5705 13.5705 17.9708 17.9708 18.7639 18.7639 20.6358 20.6358 20.8179 20.8179 k = 0.3796 0.3796-0.0000 ( 2544 PWs) bands (ev): -1.7447 -1.7447 -1.7362 -1.7362 -0.9132 -0.9132 -0.9000 -0.9000 -0.8654 -0.8654 6.2301 6.2301 7.4922 7.4922 7.6350 7.6350 7.7944 7.7944 7.9192 7.9192 8.0224 8.0224 8.0599 8.0599 8.2176 8.2176 8.4376 8.4376 8.9762 8.9762 9.0327 9.0327 9.1787 9.1787 9.1976 9.1976 9.3225 9.3225 9.6648 9.6648 9.9173 9.9173 10.9707 10.9707 12.0147 12.0147 13.7671 13.7671 17.8214 17.8214 18.7059 18.7059 20.6516 20.6516 20.8485 20.8485 k = 0.3704 0.3704-0.0000 ( 2540 PWs) bands (ev): -1.7452 -1.7452 -1.7364 -1.7364 -0.9130 -0.9130 -0.9005 -0.9005 -0.8669 -0.8669 6.1748 6.1748 7.4841 7.4841 7.6322 7.6322 7.7950 7.7950 7.9133 7.9133 8.0218 8.0218 8.0630 8.0630 8.2026 8.2026 8.4141 8.4141 8.9927 8.9927 9.0535 9.0535 9.1883 9.1883 9.2127 9.2127 9.3306 9.3306 9.6904 9.6904 9.8676 9.8676 11.0026 11.0026 12.0314 12.0314 13.9679 13.9679 17.6703 17.6703 18.6491 18.6491 20.6693 20.6693 20.8810 20.8810 k = 0.3611 0.3611-0.0000 ( 2550 PWs) bands (ev): -1.7459 -1.7459 -1.7366 -1.7366 -0.9129 -0.9129 -0.9010 -0.9010 -0.8687 -0.8687 6.1152 6.1152 7.4770 7.4770 7.6281 7.6281 7.7910 7.7910 7.9062 7.9062 8.0232 8.0232 8.0663 8.0663 8.1905 8.1905 8.3962 8.3962 9.0012 9.0012 9.0818 9.0818 9.1964 9.1964 9.2249 9.2249 9.3429 9.3429 9.7152 9.7152 9.8238 9.8238 11.0373 11.0373 12.0493 12.0493 14.1725 14.1725 17.5181 17.5181 18.5939 18.5939 20.6889 20.6889 20.9150 20.9150 k = 0.3519 0.3519-0.0000 ( 2550 PWs) bands (ev): -1.7466 -1.7466 -1.7369 -1.7369 -0.9128 -0.9128 -0.9015 -0.9015 -0.8705 -0.8705 6.0520 6.0520 7.4708 7.4708 7.6228 7.6228 7.7832 7.7832 7.8982 7.8982 8.0234 8.0234 8.0698 8.0698 8.1811 8.1811 8.3874 8.3874 9.0046 9.0046 9.1141 9.1141 9.2028 9.2028 9.2345 9.2345 9.3598 9.3598 9.7356 9.7356 9.7899 9.7899 11.0746 11.0746 12.0686 12.0686 14.3807 14.3807 17.3652 17.3652 18.5406 18.5406 20.7101 20.7101 20.9504 20.9504 k = 0.3426 0.3426-0.0000 ( 2546 PWs) bands (ev): -1.7472 -1.7472 -1.7372 -1.7372 -0.9127 -0.9127 -0.9020 -0.9020 -0.8724 -0.8724 5.9854 5.9854 7.4653 7.4653 7.6166 7.6166 7.7726 7.7726 7.8894 7.8894 8.0187 8.0187 8.0753 8.0753 8.1721 8.1721 8.3906 8.3906 9.0047 9.0047 9.1482 9.1482 9.2073 9.2073 9.2426 9.2426 9.3805 9.3805 9.7324 9.7324 9.7853 9.7853 11.1141 11.1141 12.0892 12.0892 14.5920 14.5920 17.2122 17.2122 18.4896 18.4896 20.7326 20.7326 20.9870 20.9870 k = 0.3333 0.3333-0.0000 ( 2546 PWs) bands (ev): -1.7480 -1.7480 -1.7376 -1.7376 -0.9129 -0.9129 -0.9024 -0.9024 -0.8744 -0.8744 5.9160 5.9160 7.4600 7.4600 7.6096 7.6096 7.7601 7.7601 7.8800 7.8800 8.0082 8.0082 8.0828 8.0828 8.1623 8.1623 8.4075 8.4075 9.0018 9.0018 9.1823 9.1823 9.2103 9.2103 9.2507 9.2507 9.4041 9.4041 9.7094 9.7094 9.8059 9.8059 11.1559 11.1559 12.1112 12.1112 14.8061 14.8061 17.0594 17.0594 18.4409 18.4409 20.7563 20.7563 21.0246 21.0246 k = 0.3241 0.3241-0.0000 ( 2550 PWs) bands (ev): -1.7487 -1.7487 -1.7381 -1.7381 -0.9131 -0.9131 -0.9028 -0.9028 -0.8765 -0.8765 5.8444 5.8444 7.4545 7.4545 7.6018 7.6018 7.7464 7.7464 7.8701 7.8701 7.9937 7.9937 8.0872 8.0872 8.1553 8.1553 8.4368 8.4368 8.9962 8.9962 9.2040 9.2040 9.2233 9.2233 9.2600 9.2600 9.4297 9.4297 9.6876 9.6876 9.8308 9.8308 11.1997 11.1997 12.1344 12.1344 15.0228 15.0228 16.9072 16.9072 18.3948 18.3948 20.7808 20.7808 21.0630 21.0630 k = 0.3148 0.3148-0.0000 ( 2546 PWs) bands (ev): -1.7495 -1.7495 -1.7387 -1.7387 -0.9135 -0.9135 -0.9031 -0.9031 -0.8786 -0.8786 5.7709 5.7709 7.4482 7.4482 7.5936 7.5936 7.7323 7.7323 7.8599 7.8599 7.9777 7.9777 8.0805 8.0805 8.1590 8.1590 8.4759 8.4759 8.9880 8.9880 9.2043 9.2043 9.2536 9.2536 9.2734 9.2734 9.4566 9.4566 9.6702 9.6702 9.8566 9.8566 11.2454 11.2454 12.1590 12.1590 15.2415 15.2415 16.7560 16.7560 18.3514 18.3514 20.8058 20.8058 21.1020 21.1020 k = 0.3056 0.3056-0.0000 ( 2542 PWs) bands (ev): -1.7503 -1.7503 -1.7392 -1.7392 -0.9139 -0.9139 -0.9034 -0.9034 -0.8807 -0.8807 5.6961 5.6961 7.4405 7.4405 7.5851 7.5851 7.7182 7.7182 7.8491 7.8491 7.9616 7.9616 8.0627 8.0627 8.1740 8.1740 8.5223 8.5223 8.9775 8.9775 9.2015 9.2015 9.2743 9.2743 9.2997 9.2997 9.4844 9.4844 9.6574 9.6574 9.8823 9.8823 11.2931 11.2931 12.1850 12.1850 15.4615 15.4615 16.6063 16.6063 18.3110 18.3110 20.8309 20.8309 21.1416 21.1416 k = 0.2963 0.2963-0.0000 ( 2542 PWs) bands (ev): -1.7511 -1.7511 -1.7399 -1.7399 -0.9145 -0.9145 -0.9038 -0.9038 -0.8830 -0.8830 5.6205 5.6205 7.4310 7.4310 7.5764 7.5764 7.7046 7.7046 7.8379 7.8379 7.9463 7.9463 8.0391 8.0391 8.1953 8.1953 8.5741 8.5741 8.9652 8.9652 9.1976 9.1976 9.2885 9.2885 9.3339 9.3339 9.5128 9.5128 9.6491 9.6491 9.9080 9.9080 11.3426 11.3426 12.2123 12.2123 15.6816 15.6816 16.4594 16.4594 18.2737 18.2737 20.8554 20.8554 21.1814 21.1814 k = 0.2870 0.2870-0.0000 ( 2546 PWs) bands (ev): -1.7520 -1.7520 -1.7407 -1.7407 -0.9152 -0.9152 -0.9041 -0.9041 -0.8854 -0.8854 5.5444 5.5444 7.4192 7.4192 7.5676 7.5676 7.6918 7.6918 7.8261 7.8261 7.9325 7.9325 8.0129 8.0129 8.2202 8.2202 8.6299 8.6299 8.9516 8.9516 9.1935 9.1935 9.3025 9.3025 9.3691 9.3691 9.5414 9.5414 9.6448 9.6448 9.9333 9.9333 11.3939 11.3939 12.2409 12.2409 15.8970 15.8970 16.3195 16.3195 18.2397 18.2397 20.8783 20.8783 21.2210 21.2210 k = 0.2778 0.2778-0.0000 ( 2536 PWs) bands (ev): -1.7528 -1.7528 -1.7415 -1.7415 -0.9160 -0.9160 -0.9043 -0.9043 -0.8877 -0.8877 5.4682 5.4682 7.4049 7.4049 7.5591 7.5591 7.6803 7.6803 7.8139 7.8139 7.9202 7.9202 7.9856 7.9856 8.2474 8.2474 8.6886 8.6886 8.9377 8.9377 9.1893 9.1893 9.3173 9.3173 9.4042 9.4042 9.5701 9.5701 9.6444 9.6444 9.9583 9.9583 11.4469 11.4469 12.2708 12.2708 16.0594 16.0594 16.2346 16.2346 18.2096 18.2096 20.8979 20.8979 21.2454 21.2454 k = 0.2685 0.2685-0.0000 ( 2530 PWs) bands (ev): -1.7537 -1.7537 -1.7424 -1.7424 -0.9168 -0.9168 -0.9046 -0.9046 -0.8900 -0.8900 5.3924 5.3924 7.3879 7.3879 7.5509 7.5509 7.6699 7.6699 7.8011 7.8011 7.9093 7.9093 7.9581 7.9581 8.2763 8.2763 8.7493 8.7493 8.9242 8.9242 9.1856 9.1856 9.3328 9.3328 9.4383 9.4383 9.5984 9.5984 9.6477 9.6477 9.9828 9.9828 11.5019 11.5019 12.3022 12.3022 15.9872 15.9872 16.3853 16.3853 18.1839 18.1839 20.9119 20.9119 21.2410 21.2410 k = 0.2593 0.2593-0.0000 ( 2532 PWs) bands (ev): -1.7546 -1.7546 -1.7434 -1.7434 -0.9177 -0.9177 -0.9050 -0.9050 -0.8925 -0.8925 5.3172 5.3172 7.3683 7.3683 7.5430 7.5430 7.6606 7.6606 7.7879 7.7879 7.8991 7.8991 7.9311 7.9311 8.3066 8.3066 8.8102 8.8102 8.9128 8.9128 9.1827 9.1827 9.3491 9.3491 9.4712 9.4712 9.6255 9.6255 9.6554 9.6554 10.0068 10.0068 11.5586 11.5586 12.3349 12.3349 15.8529 15.8529 16.5978 16.5978 18.1637 18.1637 20.9160 20.9160 21.2348 21.2348 k = 0.2500 0.2500-0.0000 ( 2524 PWs) bands (ev): -1.7555 -1.7555 -1.7443 -1.7443 -0.9187 -0.9187 -0.9052 -0.9052 -0.8949 -0.8949 5.2429 5.2429 7.3464 7.3464 7.5355 7.5355 7.6523 7.6523 7.7747 7.7747 7.8873 7.8873 7.9070 7.9070 8.3380 8.3380 8.8635 8.8635 8.9107 8.9107 9.1812 9.1812 9.3660 9.3660 9.5021 9.5021 9.6490 9.6490 9.6701 9.6701 10.0304 10.0304 11.6171 11.6171 12.3689 12.3689 15.7142 15.7142 16.8123 16.8123 18.1510 18.1510 20.9048 20.9048 21.2293 21.2293 k = 0.2407 0.2407-0.0000 ( 2528 PWs) bands (ev): -1.7565 -1.7565 -1.7455 -1.7455 -0.9198 -0.9198 -0.9057 -0.9057 -0.8974 -0.8974 5.1697 5.1697 7.3226 7.3226 7.5285 7.5285 7.6446 7.6446 7.7617 7.7617 7.8679 7.8679 7.8912 7.8912 8.3703 8.3703 8.8774 8.8774 8.9485 8.9485 9.1822 9.1822 9.3835 9.3835 9.5304 9.5304 9.6676 9.6676 9.6932 9.6932 10.0533 10.0533 11.6773 11.6773 12.4042 12.4042 15.5759 15.5759 17.0202 17.0202 18.1492 18.1492 20.8723 20.8723 21.2221 21.2221 k = 0.2315 0.2315-0.0000 ( 2532 PWs) bands (ev): -1.7574 -1.7574 -1.7467 -1.7467 -0.9209 -0.9209 -0.9061 -0.9061 -0.8999 -0.8999 5.0980 5.0980 7.2973 7.2973 7.5219 7.5219 7.6373 7.6373 7.7489 7.7489 7.8430 7.8430 7.8815 7.8815 8.4032 8.4032 8.8730 8.8730 9.0029 9.0029 9.1883 9.1883 9.4014 9.4014 9.5554 9.5554 9.6863 9.6863 9.7201 9.7201 10.0756 10.0756 11.7394 11.7394 12.4408 12.4408 15.4391 15.4391 17.2138 17.2138 18.1648 18.1648 20.8149 20.8149 21.1705 21.1705 k = 0.2222 0.2222-0.0000 ( 2532 PWs) bands (ev): -1.7584 -1.7584 -1.7479 -1.7479 -0.9220 -0.9220 -0.9066 -0.9066 -0.9024 -0.9024 5.0280 5.0280 7.2710 7.2710 7.5158 7.5158 7.6303 7.6303 7.7367 7.7367 7.8173 7.8173 7.8731 7.8731 8.4368 8.4368 8.8685 8.8685 9.0504 9.0504 9.2047 9.2047 9.4196 9.4196 9.5769 9.5769 9.7076 9.7076 9.7482 9.7482 10.0974 10.0974 11.8033 11.8033 12.4787 12.4787 15.3043 15.3043 17.3815 17.3815 18.2082 18.2082 20.7318 20.7318 21.0209 21.0209 k = 0.2130 0.2130-0.0000 ( 2536 PWs) bands (ev): -1.7593 -1.7593 -1.7492 -1.7492 -0.9232 -0.9232 -0.9072 -0.9072 -0.9049 -0.9049 4.9597 4.9597 7.2439 7.2439 7.5101 7.5101 7.6232 7.6232 7.7252 7.7252 7.7920 7.7920 7.8646 7.8646 8.4707 8.4707 8.8657 8.8657 9.0823 9.0823 9.2374 9.2374 9.4379 9.4379 9.5953 9.5953 9.7316 9.7316 9.7771 9.7771 10.1185 10.1185 11.8690 11.8690 12.5178 12.5178 15.1718 15.1718 17.5096 17.5096 18.2925 18.2925 20.6229 20.6229 20.8422 20.8422 k = 0.2037 0.2037-0.0000 ( 2542 PWs) bands (ev): -1.7603 -1.7603 -1.7506 -1.7506 -0.9244 -0.9244 -0.9079 -0.9079 -0.9074 -0.9074 4.8935 4.8935 7.2165 7.2165 7.5049 7.5049 7.6160 7.6160 7.7143 7.7143 7.7674 7.7674 7.8556 7.8556 8.5048 8.5048 8.8654 8.8654 9.0986 9.0986 9.2859 9.2859 9.4562 9.4562 9.6114 9.6114 9.7573 9.7573 9.8066 9.8066 10.1390 10.1390 11.9365 11.9365 12.5582 12.5582 15.0419 15.0419 17.5911 17.5911 18.4238 18.4238 20.4874 20.4874 20.6671 20.6671 k = 0.1944 0.1944-0.0000 ( 2550 PWs) bands (ev): -1.7613 -1.7613 -1.7520 -1.7520 -0.9256 -0.9256 -0.9101 -0.9101 -0.9083 -0.9083 4.8294 4.8294 7.1889 7.1889 7.5001 7.5001 7.6083 7.6083 7.7039 7.7039 7.7441 7.7441 7.8459 7.8459 8.5389 8.5389 8.8674 8.8674 9.1056 9.1056 9.3429 9.3429 9.4746 9.4746 9.6261 9.6261 9.7837 9.7837 9.8370 9.8370 10.1589 10.1589 12.0058 12.0058 12.5996 12.5996 14.9148 14.9148 17.6323 17.6323 18.5948 18.5948 20.3273 20.3273 20.5053 20.5053 k = 0.1852 0.1852-0.0000 ( 2536 PWs) bands (ev): -1.7621 -1.7621 -1.7533 -1.7533 -0.9267 -0.9267 -0.9124 -0.9124 -0.9088 -0.9088 4.7676 4.7676 7.1617 7.1617 7.4958 7.4958 7.6002 7.6002 7.6935 7.6935 7.7229 7.7229 7.8356 7.8356 8.5730 8.5730 8.8718 8.8718 9.1083 9.1083 9.4025 9.4025 9.4930 9.4930 9.6406 9.6406 9.8100 9.8100 9.8687 9.8687 10.1782 10.1782 12.0769 12.0769 12.6422 12.6422 14.7906 14.7906 17.6462 17.6462 18.7915 18.7915 20.1525 20.1525 20.3538 20.3538 k = 0.1759 0.1759-0.0000 ( 2534 PWs) bands (ev): -1.7630 -1.7630 -1.7547 -1.7547 -0.9279 -0.9279 -0.9148 -0.9148 -0.9094 -0.9094 4.7083 4.7083 7.1347 7.1347 7.4919 7.4919 7.5917 7.5917 7.6808 7.6808 7.7058 7.7058 7.8246 7.8246 8.6068 8.6068 8.8780 8.8780 9.1092 9.1092 9.4610 9.4610 9.5113 9.5113 9.6561 9.6561 9.8354 9.8354 9.9014 9.9014 10.1968 10.1968 12.1495 12.1495 12.6857 12.6857 14.6695 14.6695 17.6425 17.6425 19.0026 19.0026 19.9741 19.9741 20.2068 20.2068 k = 0.1667 0.1667-0.0000 ( 2544 PWs) bands (ev): -1.7639 -1.7639 -1.7562 -1.7562 -0.9291 -0.9291 -0.9173 -0.9173 -0.9101 -0.9101 4.6515 4.6515 7.1083 7.1083 7.4882 7.4882 7.5827 7.5827 7.6643 7.6643 7.6944 7.6944 7.8129 7.8129 8.6401 8.6401 8.8858 8.8858 9.1093 9.1093 9.5137 9.5137 9.5309 9.5309 9.6744 9.6744 9.8596 9.8596 9.9353 9.9353 10.2147 10.2147 12.2237 12.2237 12.7302 12.7302 14.5519 14.5519 17.6270 17.6270 19.2192 19.2192 19.8002 19.8002 20.0619 20.0619 k = 0.1574 0.1574-0.0000 ( 2538 PWs) bands (ev): -1.7647 -1.7647 -1.7576 -1.7576 -0.9303 -0.9303 -0.9196 -0.9196 -0.9107 -0.9107 4.5973 4.5973 7.0826 7.0826 7.4851 7.4851 7.5735 7.5735 7.6458 7.6458 7.6872 7.6872 7.8009 7.8009 8.6727 8.6727 8.8950 8.8950 9.1093 9.1093 9.5434 9.5434 9.5652 9.5652 9.6988 9.6988 9.8828 9.8828 9.9701 9.9701 10.2320 10.2320 12.2993 12.2993 12.7754 12.7754 14.4378 14.4378 17.6025 17.6025 19.4238 19.4238 19.6463 19.6463 19.9200 19.9200 k = 0.1481 0.1481-0.0000 ( 2534 PWs) bands (ev): -1.7655 -1.7655 -1.7590 -1.7590 -0.9314 -0.9314 -0.9218 -0.9218 -0.9113 -0.9113 4.5458 4.5458 7.0577 7.0577 7.4822 7.4822 7.5641 7.5641 7.6269 7.6269 7.6821 7.6821 7.7886 7.7886 8.7046 8.7046 8.9051 8.9051 9.1095 9.1095 9.5612 9.5612 9.5997 9.5997 9.7316 9.7316 9.9050 9.9050 10.0057 10.0057 10.2487 10.2487 12.3761 12.3761 12.8211 12.8211 14.3276 14.3276 17.5704 17.5704 19.4327 19.4327 19.6782 19.6782 19.7992 19.7992 k = 0.1389 0.1389-0.0000 ( 2530 PWs) bands (ev): -1.7663 -1.7663 -1.7604 -1.7604 -0.9325 -0.9325 -0.9240 -0.9240 -0.9120 -0.9120 4.4971 4.4971 7.0339 7.0339 7.4797 7.4797 7.5546 7.5546 7.6085 7.6085 7.6783 7.6783 7.7763 7.7763 8.7355 8.7355 8.9156 8.9156 9.1103 9.1103 9.5777 9.5777 9.6239 9.6239 9.7721 9.7721 9.9263 9.9263 10.0418 10.0418 10.2648 10.2648 12.4539 12.4539 12.8673 12.8673 14.2215 14.2215 17.5310 17.5310 19.2925 19.2925 19.6207 19.6207 19.9283 19.9283 k = 0.1296 0.1296-0.0000 ( 2538 PWs) bands (ev): -1.7670 -1.7670 -1.7618 -1.7618 -0.9336 -0.9336 -0.9261 -0.9261 -0.9126 -0.9126 4.4513 4.4513 7.0111 7.0111 7.4775 7.4775 7.5451 7.5451 7.5909 7.5909 7.6753 7.6753 7.7639 7.7639 8.7652 8.7652 8.9260 8.9260 9.1117 9.1117 9.5933 9.5933 9.6406 9.6406 9.8160 9.8160 9.9470 9.9470 10.0781 10.0781 10.2803 10.2803 12.5322 12.5322 12.9137 12.9137 14.1199 14.1199 17.4844 17.4844 19.1537 19.1537 19.4886 19.4886 20.1426 20.1426 k = 0.1204 0.1204-0.0000 ( 2538 PWs) bands (ev): -1.7677 -1.7677 -1.7631 -1.7631 -0.9347 -0.9347 -0.9282 -0.9282 -0.9132 -0.9132 4.4084 4.4084 6.9895 6.9895 7.4756 7.4756 7.5358 7.5358 7.5743 7.5743 7.6730 7.6730 7.7519 7.7519 8.7936 8.7936 8.9361 8.9361 9.1139 9.1139 9.6081 9.6081 9.6530 9.6530 9.8593 9.8593 9.9678 9.9678 10.1146 10.1146 10.2952 10.2952 12.6107 12.6107 12.9600 12.9600 14.0229 14.0229 17.4306 17.4306 19.0257 19.0257 19.3574 19.3574 20.3575 20.3575 k = 0.1111 0.1111-0.0000 ( 2526 PWs) bands (ev): -1.7684 -1.7684 -1.7643 -1.7643 -0.9356 -0.9356 -0.9300 -0.9300 -0.9137 -0.9137 4.3685 4.3685 6.9693 6.9693 7.4740 7.4740 7.5268 7.5268 7.5589 7.5589 7.6713 7.6713 7.7403 7.7403 8.8206 8.8206 8.9455 8.9455 9.1170 9.1170 9.6222 9.6222 9.6628 9.6628 9.8991 9.8991 9.9894 9.9894 10.1509 10.1509 10.3097 10.3097 12.6889 12.6889 13.0060 13.0060 13.9310 13.9310 17.3696 17.3696 18.9107 18.9107 19.2306 19.2306 20.5668 20.5668 k = 0.1019 0.1019-0.0000 ( 2528 PWs) bands (ev): -1.7690 -1.7690 -1.7655 -1.7655 -0.9366 -0.9366 -0.9318 -0.9318 -0.9143 -0.9143 4.3316 4.3316 6.9504 6.9504 7.4725 7.4725 7.5181 7.5181 7.5444 7.5444 7.6699 7.6699 7.7293 7.7293 8.8459 8.8459 8.9540 8.9540 9.1210 9.1210 9.6354 9.6354 9.6710 9.6710 9.9331 9.9331 10.0127 10.0127 10.1866 10.1866 10.3235 10.3235 12.7660 12.7660 13.0513 13.0513 13.8445 13.8445 17.3021 17.3021 18.8094 18.8094 19.1095 19.1095 20.7674 20.7674 k = 0.0926 0.0926-0.0000 ( 2524 PWs) bands (ev): -1.7696 -1.7696 -1.7666 -1.7666 -0.9374 -0.9374 -0.9335 -0.9335 -0.9148 -0.9148 4.2978 4.2978 6.9329 6.9329 7.4713 7.4713 7.5099 7.5099 7.5312 7.5312 7.6689 7.6689 7.7189 7.7189 8.8694 8.8694 8.9613 8.9613 9.1258 9.1258 9.6476 9.6476 9.6780 9.6780 9.9605 9.9605 10.0381 10.0381 10.2213 10.2213 10.3369 10.3369 12.8412 12.8412 13.0956 13.0956 13.7640 13.7640 17.2290 17.2290 18.7219 18.7219 18.9951 18.9951 20.9565 20.9565 k = 0.0833 0.0833-0.0000 ( 2528 PWs) bands (ev): -1.7701 -1.7701 -1.7677 -1.7677 -0.9383 -0.9383 -0.9350 -0.9350 -0.9153 -0.9153 4.2672 4.2672 6.9169 6.9169 7.4702 7.4702 7.5022 7.5022 7.5191 7.5191 7.6681 7.6681 7.7093 7.7093 8.8910 8.8910 8.9675 8.9675 9.1312 9.1312 9.6589 9.6589 9.6841 9.6841 9.9815 9.9815 10.0647 10.0647 10.2546 10.2546 10.3497 10.3497 12.9136 12.9136 13.1387 13.1387 13.6898 13.6898 17.1522 17.1522 18.6476 18.6476 18.8883 18.8883 21.1308 21.1308 k = 0.0741 0.0741-0.0000 ( 2532 PWs) bands (ev): -1.7706 -1.7706 -1.7687 -1.7687 -0.9391 -0.9391 -0.9365 -0.9365 -0.9158 -0.9158 4.2396 4.2396 6.9024 6.9024 7.4693 7.4693 7.4951 7.4951 7.5081 7.5081 7.6676 7.6676 7.7006 7.7006 8.9106 8.9106 8.9726 8.9726 9.1370 9.1370 9.6691 9.6691 9.6894 9.6894 9.9979 9.9979 10.0907 10.0907 10.2860 10.2860 10.3619 10.3619 12.9818 12.9818 13.1802 13.1802 13.6225 13.6225 17.0736 17.0736 18.5855 18.5855 18.7899 18.7899 21.2872 21.2872 k = 0.0648 0.0648-0.0000 ( 2532 PWs) bands (ev): -1.7711 -1.7711 -1.7696 -1.7696 -0.9397 -0.9397 -0.9378 -0.9378 -0.9162 -0.9162 4.2153 4.2153 6.8895 6.8895 7.4686 7.4686 7.4886 7.4886 7.4985 7.4985 7.6671 7.6671 7.6928 7.6928 8.9282 8.9282 8.9766 8.9766 9.1429 9.1429 9.6782 9.6782 9.6941 9.6941 10.0110 10.0110 10.1148 10.1148 10.3150 10.3150 10.3735 10.3735 13.0442 13.0442 13.2199 13.2199 13.5628 13.5628 16.9958 16.9958 18.5343 18.5343 18.7008 18.7008 21.4225 21.4225 k = 0.0556 0.0556-0.0000 ( 2530 PWs) bands (ev): -1.7714 -1.7714 -1.7703 -1.7703 -0.9403 -0.9403 -0.9389 -0.9389 -0.9165 -0.9165 4.1941 4.1941 6.8783 6.8783 7.4680 7.4680 7.4830 7.4830 7.4901 7.4901 7.6669 7.6669 7.6859 7.6859 8.9435 8.9435 8.9798 8.9798 9.1488 9.1488 9.6862 9.6862 9.6980 9.6980 10.0216 10.0216 10.1362 10.1362 10.3412 10.3412 10.3842 10.3842 13.0989 13.0989 13.2576 13.2576 13.5114 13.5114 16.9212 16.9212 18.4929 18.4929 18.6217 18.6217 21.5333 21.5333 k = 0.0463 0.0463-0.0000 ( 2530 PWs) bands (ev): -1.7718 -1.7718 -1.7710 -1.7710 -0.9408 -0.9408 -0.9398 -0.9398 -0.9168 -0.9168 4.1762 4.1762 6.8687 6.8687 7.4675 7.4675 7.4780 7.4780 7.4831 7.4831 7.6667 7.6667 7.6800 7.6800 8.9566 8.9566 8.9822 8.9822 9.1542 9.1542 9.6930 9.6930 9.7014 9.7014 10.0302 10.0302 10.1543 10.1543 10.3641 10.3641 10.3939 10.3939 13.1441 13.1441 13.2930 13.2930 13.4691 13.4691 16.8527 16.8527 18.4601 18.4601 18.5532 18.5532 21.6170 21.6170 k = 0.0370 0.0370-0.0000 ( 2522 PWs) bands (ev): -1.7720 -1.7720 -1.7715 -1.7715 -0.9412 -0.9412 -0.9406 -0.9406 -0.9170 -0.9170 4.1615 4.1615 6.8608 6.8608 7.4671 7.4671 7.4739 7.4739 7.4774 7.4774 7.6666 7.6666 7.6752 7.6752 8.9675 8.9675 8.9841 8.9841 9.1590 9.1590 9.6988 9.6988 9.7041 9.7041 10.0371 10.0371 10.1692 10.1692 10.3833 10.3833 10.4024 10.4024 13.1782 13.1782 13.3253 13.3253 13.4367 13.4367 16.7925 16.7925 18.4346 18.4346 18.4962 18.4962 21.6729 21.6729 k = 0.0278 0.0278-0.0000 ( 2522 PWs) bands (ev): -1.7722 -1.7722 -1.7719 -1.7719 -0.9415 -0.9415 -0.9412 -0.9412 -0.9172 -0.9172 4.1501 4.1501 6.8547 6.8547 7.4667 7.4667 7.4704 7.4704 7.4732 7.4732 7.6666 7.6666 7.6714 7.6714 8.9759 8.9759 8.9853 8.9853 9.1630 9.1630 9.7032 9.7032 9.7062 9.7062 10.0423 10.0423 10.1806 10.1806 10.3986 10.3986 10.4093 10.4093 13.2008 13.2008 13.3533 13.3533 13.4145 13.4145 16.7430 16.7430 18.4157 18.4157 18.4512 18.4512 21.7057 21.7057 k = 0.0185 0.0185-0.0000 ( 2517 PWs) bands (ev): -1.7723 -1.7723 -1.7722 -1.7722 -0.9417 -0.9417 -0.9416 -0.9416 -0.9174 -0.9174 4.1419 4.1419 6.8503 6.8503 7.4662 7.4662 7.4678 7.4678 7.4706 7.4706 7.6666 7.6666 7.6687 7.6687 8.9820 8.9820 8.9862 8.9862 9.1659 9.1659 9.7065 9.7065 9.7078 9.7078 10.0460 10.0460 10.1887 10.1887 10.4097 10.4097 10.4144 10.4144 13.2134 13.2134 13.3751 13.3751 13.4015 13.4015 16.7062 16.7062 18.4026 18.4026 18.4187 18.4187 21.7232 21.7232 k = 0.0093 0.0093-0.0000 ( 2517 PWs) bands (ev): -1.7724 -1.7724 -1.7724 -1.7724 -0.9419 -0.9419 -0.9418 -0.9418 -0.9174 -0.9174 4.1370 4.1370 6.8476 6.8476 7.4658 7.4658 7.4662 7.4662 7.4692 7.4692 7.6666 7.6666 7.6671 7.6671 8.9856 8.9856 8.9867 8.9867 9.1677 9.1677 9.7084 9.7084 9.7087 9.7087 10.0481 10.0481 10.1935 10.1935 10.4165 10.4165 10.4176 10.4176 13.2190 13.2190 13.3889 13.3889 13.3954 13.3954 16.6835 16.6835 18.3950 18.3950 18.3990 18.3990 21.7316 21.7316 k = 0.0000 0.0000 0.0000 ( 2517 PWs) bands (ev): -1.7725 -1.7725 -1.7725 -1.7725 -0.9419 -0.9419 -0.9419 -0.9419 -0.9175 -0.9175 4.1353 4.1353 6.8467 6.8467 7.4656 7.4656 7.4656 7.4656 7.4688 7.4688 7.6666 7.6666 7.6666 7.6666 8.9869 8.9869 8.9869 8.9869 9.1683 9.1683 9.7090 9.7090 9.7090 9.7090 10.0489 10.0489 10.1952 10.1952 10.4187 10.4187 10.4187 10.4187 13.2204 13.2204 13.3937 13.3937 13.3937 13.3937 16.6758 16.6758 18.3925 18.3925 18.3925 18.3925 21.7340 21.7340 k = 0.0000 0.0000 0.0000 ( 2517 PWs) bands (ev): -1.7725 -1.7725 -1.7725 -1.7725 -0.9419 -0.9419 -0.9419 -0.9419 -0.9175 -0.9175 4.1353 4.1353 6.8467 6.8467 7.4656 7.4656 7.4656 7.4656 7.4688 7.4688 7.6666 7.6666 7.6666 7.6666 8.9869 8.9869 8.9869 8.9869 9.1683 9.1683 9.7090 9.7090 9.7090 9.7090 10.0489 10.0489 10.1952 10.1952 10.4187 10.4187 10.4187 10.4187 13.2204 13.2204 13.3937 13.3937 13.3937 13.3937 16.6758 16.6758 18.3925 18.3925 18.3925 18.3925 21.7340 21.7340 k = 0.0076 0.0076 0.0076 ( 2517 PWs) bands (ev): -1.7724 -1.7724 -1.7724 -1.7724 -0.9419 -0.9419 -0.9419 -0.9419 -0.9174 -0.9174 4.1370 4.1370 6.8476 6.8476 7.4657 7.4657 7.4662 7.4662 7.4692 7.4692 7.6668 7.6668 7.6669 7.6669 8.9856 8.9856 8.9868 8.9868 9.1677 9.1677 9.7085 9.7085 9.7085 9.7085 10.0481 10.0481 10.1935 10.1935 10.4165 10.4165 10.4176 10.4176 13.2190 13.2190 13.3910 13.3910 13.3932 13.3932 16.6835 16.6835 18.3968 18.3968 18.3972 18.3972 21.7315 21.7315 k = 0.0152 0.0152 0.0152 ( 2517 PWs) bands (ev): -1.7723 -1.7723 -1.7722 -1.7722 -0.9417 -0.9417 -0.9416 -0.9416 -0.9174 -0.9174 4.1419 4.1419 6.8503 6.8503 7.4660 7.4660 7.4680 7.4680 7.4706 7.4706 7.6674 7.6674 7.6679 7.6679 8.9817 8.9817 8.9865 8.9865 9.1659 9.1659 9.7071 9.7071 9.7071 9.7071 10.0459 10.0459 10.1887 10.1887 10.4098 10.4098 10.4143 10.4143 13.2149 13.2149 13.3831 13.3831 13.3918 13.3918 16.7066 16.7066 18.4099 18.4099 18.4115 18.4115 21.7229 21.7229 k = 0.0227 0.0227 0.0227 ( 2517 PWs) bands (ev): -1.7722 -1.7722 -1.7719 -1.7719 -0.9414 -0.9414 -0.9412 -0.9412 -0.9172 -0.9172 4.1501 4.1501 6.8547 6.8547 7.4662 7.4662 7.4710 7.4710 7.4732 7.4732 7.6685 7.6685 7.6697 7.6697 8.9752 8.9752 8.9860 8.9860 9.1630 9.1630 9.7048 9.7048 9.7048 9.7048 10.0422 10.0422 10.1806 10.1806 10.3986 10.3986 10.4090 10.4090 13.2075 13.2075 13.3707 13.3707 13.3895 13.3895 16.7446 16.7446 18.4317 18.4317 18.4351 18.4351 21.7046 21.7046 k = 0.0303 0.0303 0.0303 ( 2523 PWs) bands (ev): -1.7720 -1.7720 -1.7715 -1.7715 -0.9411 -0.9411 -0.9407 -0.9407 -0.9171 -0.9171 4.1616 4.1616 6.8609 6.8609 7.4661 7.4661 7.4752 7.4752 7.4771 7.4771 7.6699 7.6699 7.6720 7.6720 8.9659 8.9659 8.9854 8.9854 9.1590 9.1590 9.7014 9.7014 9.7015 9.7015 10.0370 10.0370 10.1693 10.1693 10.3832 10.3832 10.4018 10.4018 13.1964 13.1964 13.3550 13.3550 13.3863 13.3863 16.7969 16.7969 18.4620 18.4620 18.4680 18.4680 21.6710 21.6710 k = 0.0379 0.0379 0.0379 ( 2529 PWs) bands (ev): -1.7717 -1.7717 -1.7710 -1.7710 -0.9406 -0.9406 -0.9400 -0.9400 -0.9168 -0.9168 4.1764 4.1764 6.8688 6.8688 7.4660 7.4660 7.4806 7.4806 7.4822 7.4822 7.6717 7.6717 7.6751 7.6751 8.9540 8.9540 8.9846 8.9846 9.1543 9.1543 9.6972 9.6972 9.6972 9.6972 10.0301 10.0301 10.1546 10.1546 10.3636 10.3636 10.3930 10.3930 13.1808 13.1808 13.3375 13.3375 13.3822 13.3822 16.8628 16.8628 18.5007 18.5007 18.5101 18.5101 21.6172 21.6172 k = 0.0455 0.0455 0.0455 ( 2529 PWs) bands (ev): -1.7714 -1.7714 -1.7704 -1.7704 -0.9401 -0.9401 -0.9391 -0.9391 -0.9165 -0.9165 4.1944 4.1944 6.8784 6.8784 7.4657 7.4657 7.4871 7.4871 7.4885 7.4885 7.6740 7.6740 7.6789 7.6789 8.9393 8.9393 8.9837 8.9837 9.1488 9.1488 9.6921 9.6921 9.6921 9.6921 10.0215 10.0215 10.1367 10.1367 10.3401 10.3401 10.3829 10.3829 13.1599 13.1599 13.3196 13.3196 13.3772 13.3772 16.9413 16.9413 18.5476 18.5476 18.5610 18.5610 21.5429 21.5429 k = 0.0530 0.0530 0.0530 ( 2523 PWs) bands (ev): -1.7710 -1.7710 -1.7696 -1.7696 -0.9393 -0.9393 -0.9380 -0.9380 -0.9161 -0.9161 4.2156 4.2156 6.8897 6.8897 7.4655 7.4655 7.4948 7.4948 7.4959 7.4959 7.6768 7.6768 7.6835 7.6835 8.9218 8.9218 8.9827 8.9827 9.1428 9.1428 9.6862 9.6862 9.6862 9.6862 10.0111 10.0111 10.1157 10.1157 10.3128 10.3128 10.3717 10.3717 13.1335 13.1335 13.3027 13.3027 13.3714 13.3714 17.0315 17.0315 18.6024 18.6024 18.6206 18.6206 21.4511 21.4511 k = 0.0606 0.0606 0.0606 ( 2526 PWs) bands (ev): -1.7705 -1.7705 -1.7687 -1.7687 -0.9386 -0.9386 -0.9368 -0.9368 -0.9157 -0.9157 4.2400 4.2400 6.9025 6.9025 7.4651 7.4651 7.5036 7.5036 7.5042 7.5042 7.6800 7.6800 7.6888 7.6888 8.9016 8.9016 8.9816 8.9816 9.1364 9.1364 9.6793 9.6793 9.6794 9.6794 9.9988 9.9988 10.0914 10.0914 10.2819 10.2819 10.3598 10.3598 13.1018 13.1018 13.2871 13.2871 13.3648 13.3648 17.1324 17.1324 18.6648 18.6648 18.6885 18.6885 21.3451 21.3451 k = 0.0682 0.0682 0.0682 ( 2526 PWs) bands (ev): -1.7700 -1.7700 -1.7678 -1.7678 -0.9377 -0.9377 -0.9355 -0.9355 -0.9153 -0.9153 4.2677 4.2677 6.9170 6.9170 7.4648 7.4648 7.5135 7.5135 7.5136 7.5136 7.6837 7.6837 7.6949 7.6949 8.8786 8.8786 8.9804 8.9804 9.1296 9.1296 9.6716 9.6716 9.6718 9.6718 9.9843 9.9843 10.0642 10.0642 10.2477 10.2477 10.3475 10.3475 13.0657 13.0657 13.2729 13.2729 13.3575 13.3575 17.2431 17.2431 18.7345 18.7345 18.7644 18.7644 21.2279 21.2279 k = 0.0758 0.0758 0.0758 ( 2538 PWs) bands (ev): -1.7695 -1.7695 -1.7668 -1.7668 -0.9369 -0.9369 -0.9342 -0.9342 -0.9149 -0.9149 4.2984 4.2984 6.9329 6.9329 7.4645 7.4645 7.5238 7.5238 7.5243 7.5243 7.6877 7.6877 7.7017 7.7017 8.8531 8.8531 8.9791 8.9791 9.1226 9.1226 9.6630 9.6630 9.6633 9.6633 9.9674 9.9674 10.0342 10.0342 10.2105 10.2105 10.3351 10.3351 13.0263 13.0263 13.2598 13.2598 13.3493 13.3493 17.3624 17.3624 18.8111 18.8111 18.8479 18.8479 21.1014 21.1014 k = 0.0833 0.0833 0.0833 ( 2538 PWs) bands (ev): -1.7689 -1.7689 -1.7657 -1.7657 -0.9359 -0.9359 -0.9326 -0.9326 -0.9143 -0.9143 4.3323 4.3323 6.9502 6.9502 7.4642 7.4642 7.5350 7.5350 7.5362 7.5362 7.6924 7.6924 7.7095 7.7095 8.8253 8.8253 8.9777 8.9777 9.1154 9.1154 9.6535 9.6535 9.6541 9.6541 9.9478 9.9478 10.0021 10.0021 10.1707 10.1707 10.3228 10.3228 12.9846 12.9846 13.2473 13.2473 13.3405 13.3405 17.4896 17.4896 18.8939 18.8939 18.9384 18.9384 20.9677 20.9677 k = 0.0909 0.0909 0.0909 ( 2532 PWs) bands (ev): -1.7682 -1.7682 -1.7645 -1.7645 -0.9349 -0.9349 -0.9308 -0.9308 -0.9137 -0.9137 4.3693 4.3693 6.9689 6.9689 7.4641 7.4641 7.5470 7.5470 7.5490 7.5490 7.6976 7.6976 7.7181 7.7181 8.7953 8.7953 8.9764 8.9764 9.1082 9.1082 9.6432 9.6432 9.6442 9.6442 9.9248 9.9248 9.9689 9.9689 10.1286 10.1286 10.3109 10.3109 12.9415 12.9415 13.2350 13.2350 13.3309 13.3309 17.6235 17.6235 18.9823 18.9823 19.0356 19.0356 20.8284 20.8284 k = 0.0985 0.0985 0.0985 ( 2532 PWs) bands (ev): -1.7675 -1.7675 -1.7632 -1.7632 -0.9338 -0.9338 -0.9290 -0.9290 -0.9131 -0.9131 4.4093 4.4093 6.9887 6.9887 7.4641 7.4641 7.5597 7.5597 7.5625 7.5625 7.7034 7.7034 7.7277 7.7277 8.7634 8.7634 8.9750 8.9750 9.1007 9.1007 9.6319 9.6319 9.6336 9.6336 9.8969 9.8969 9.9360 9.9360 10.0847 10.0847 10.2994 10.2994 12.8978 12.8978 13.2228 13.2228 13.3207 13.3207 17.7633 17.7633 19.0755 19.0755 19.1387 19.1387 20.6851 20.6851 k = 0.1061 0.1061 0.1061 ( 2532 PWs) bands (ev): -1.7668 -1.7668 -1.7619 -1.7619 -0.9326 -0.9326 -0.9271 -0.9271 -0.9125 -0.9125 4.4522 4.4522 7.0094 7.0094 7.4642 7.4642 7.5729 7.5729 7.5767 7.5767 7.7099 7.7099 7.7383 7.7383 8.7300 8.7300 8.9735 8.9735 9.0932 9.0932 9.6197 9.6197 9.6223 9.6223 9.8631 9.8631 9.9049 9.9049 10.0392 10.0392 10.2884 10.2884 12.8541 12.8541 13.2104 13.2104 13.3097 13.3097 17.9078 17.9078 19.1720 19.1720 19.2467 19.2467 20.5396 20.5396 k = 0.1136 0.1136 0.1136 ( 2538 PWs) bands (ev): -1.7661 -1.7661 -1.7606 -1.7606 -0.9315 -0.9315 -0.9252 -0.9252 -0.9119 -0.9119 4.4981 4.4981 7.0308 7.0308 7.4646 7.4646 7.5866 7.5866 7.5915 7.5915 7.7171 7.7171 7.7500 7.7500 8.6953 8.6953 8.9720 8.9720 9.0854 9.0854 9.6063 9.6063 9.6104 9.6104 9.8243 9.8243 9.8753 9.8753 9.9929 9.9929 10.2780 10.2780 12.8109 12.8109 13.1978 13.1978 13.2980 13.2980 18.0556 18.0556 19.2697 19.2697 19.3582 19.3582 20.3939 20.3939 k = 0.1212 0.1212 0.1212 ( 2539 PWs) bands (ev): -1.7653 -1.7653 -1.7593 -1.7593 -0.9303 -0.9303 -0.9232 -0.9232 -0.9113 -0.9113 4.5468 4.5468 7.0528 7.0528 7.4656 7.4656 7.6008 7.6008 7.6067 7.6067 7.7252 7.7252 7.7629 7.7629 8.6598 8.6598 8.9704 8.9704 9.0775 9.0775 9.5917 9.5917 9.5977 9.5977 9.7820 9.7820 9.8460 9.8460 9.9461 9.9461 10.2682 10.2682 12.7685 12.7685 13.1847 13.1847 13.2856 13.2856 18.2049 18.2049 19.3653 19.3653 19.4711 19.4711 20.2512 20.2512 k = 0.1288 0.1288 0.1288 ( 2536 PWs) bands (ev): -1.7645 -1.7645 -1.7578 -1.7578 -0.9291 -0.9291 -0.9211 -0.9211 -0.9105 -0.9105 4.5983 4.5983 7.0748 7.0748 7.4672 7.4672 7.6152 7.6152 7.6221 7.6221 7.7345 7.7345 7.7770 7.7770 8.6240 8.6240 8.9686 8.9686 9.0694 9.0694 9.5755 9.5755 9.5843 9.5843 9.7377 9.7377 9.8162 9.8162 9.8996 9.8996 10.2590 10.2590 12.7272 12.7272 13.1711 13.1711 13.2725 13.2725 18.3530 18.3530 19.4523 19.4523 19.5811 19.5811 20.1159 20.1159 k = 0.1364 0.1364 0.1364 ( 2530 PWs) bands (ev): -1.7636 -1.7636 -1.7563 -1.7563 -0.9279 -0.9279 -0.9189 -0.9189 -0.9098 -0.9098 4.6524 4.6524 7.0966 7.0966 7.4698 7.4698 7.6297 7.6297 7.6373 7.6373 7.7450 7.7450 7.7926 7.7926 8.5881 8.5881 8.9667 8.9667 9.0608 9.0608 9.5575 9.5575 9.5702 9.5702 9.6922 9.6922 9.7857 9.7857 9.8542 9.8542 10.2504 10.2504 12.6873 12.6873 13.1570 13.1570 13.2587 13.2587 18.4952 18.4952 19.5190 19.5190 19.6796 19.6796 19.9965 19.9965 k = 0.1439 0.1439 0.1439 ( 2536 PWs) bands (ev): -1.7628 -1.7628 -1.7550 -1.7550 -0.9267 -0.9267 -0.9167 -0.9167 -0.9091 -0.9091 4.7091 4.7091 7.1174 7.1174 7.4736 7.4736 7.6442 7.6442 7.6522 7.6522 7.7569 7.7569 7.8094 7.8094 8.5526 8.5526 8.9645 8.9645 9.0517 9.0517 9.5372 9.5372 9.5552 9.5552 9.6462 9.6462 9.7545 9.7545 9.8107 9.8107 10.2423 10.2423 12.6489 12.6489 13.1422 13.1422 13.2441 13.2441 18.6232 18.6232 19.5471 19.5471 19.7483 19.7483 19.9048 19.9048 k = 0.1515 0.1515 0.1515 ( 2536 PWs) bands (ev): -1.7620 -1.7620 -1.7535 -1.7535 -0.9256 -0.9256 -0.9145 -0.9145 -0.9083 -0.9083 4.7682 4.7682 7.1367 7.1367 7.4790 7.4790 7.6587 7.6587 7.6665 7.6665 7.7706 7.7706 7.8278 7.8278 8.5181 8.5181 8.9618 8.9618 9.0418 9.0418 9.5143 9.5143 9.5393 9.5393 9.6003 9.6003 9.7228 9.7228 9.7700 9.7700 10.2347 10.2347 12.6121 12.6121 13.1267 13.1267 13.2286 13.2286 18.7224 18.7224 19.5289 19.5289 19.7582 19.7582 19.8443 19.8443 k = 0.1591 0.1591 0.1591 ( 2536 PWs) bands (ev): -1.7612 -1.7612 -1.7521 -1.7521 -0.9245 -0.9245 -0.9123 -0.9123 -0.9076 -0.9076 4.8297 4.8297 7.1538 7.1538 7.4866 7.4866 7.6730 7.6730 7.6800 7.6800 7.7861 7.7861 7.8477 7.8477 8.4852 8.4852 8.9584 8.9584 9.0310 9.0310 9.4884 9.4884 9.5221 9.5221 9.5554 9.5554 9.6909 9.6909 9.7331 9.7331 10.2275 10.2275 12.5771 12.5771 13.1105 13.1105 13.2124 13.2124 18.7707 18.7707 19.4840 19.4840 19.6958 19.6958 19.8081 19.8081 k = 0.1667 0.1667 0.1667 ( 2557 PWs) bands (ev): -1.7605 -1.7605 -1.7509 -1.7509 -0.9235 -0.9235 -0.9102 -0.9102 -0.9069 -0.9069 4.8933 4.8933 7.1678 7.1678 7.4968 7.4968 7.6870 7.6870 7.6925 7.6925 7.8033 7.8033 7.8691 7.8691 8.4542 8.4542 8.9540 8.9540 9.0186 9.0186 9.4594 9.4594 9.5023 9.5023 9.5128 9.5128 9.6593 9.6593 9.7002 9.7002 10.2207 10.2207 12.5438 12.5438 13.0935 13.0935 13.1952 13.1952 18.7524 18.7524 19.4182 19.4182 19.5823 19.5823 19.8166 19.8166 k = 0.1742 0.1742 0.1742 ( 2536 PWs) bands (ev): -1.7595 -1.7595 -1.7494 -1.7494 -0.9224 -0.9224 -0.9078 -0.9078 -0.9060 -0.9060 4.9588 4.9588 7.1783 7.1783 7.5099 7.5099 7.7010 7.7010 7.7042 7.7042 7.8223 7.8223 7.8922 7.8922 8.4261 8.4261 8.9485 8.9485 9.0046 9.0046 9.4283 9.4283 9.4685 9.4685 9.4852 9.4852 9.6287 9.6287 9.6721 9.6721 10.2144 10.2144 12.5124 12.5124 13.0757 13.0757 13.1771 13.1771 18.6750 18.6750 19.3195 19.3195 19.4431 19.4431 19.8922 19.8922 k = 0.1818 0.1818 0.1818 ( 2536 PWs) bands (ev): -1.7587 -1.7587 -1.7481 -1.7481 -0.9215 -0.9215 -0.9056 -0.9056 -0.9052 -0.9052 5.0262 5.0262 7.1847 7.1847 7.5260 7.5260 7.7147 7.7147 7.7152 7.7152 7.8428 7.8428 7.9167 7.9167 8.4011 8.4011 8.9412 8.9412 8.9882 8.9882 9.3956 9.3956 9.4302 9.4302 9.4626 9.4626 9.5994 9.5994 9.6480 9.6480 10.2084 10.2084 12.4828 12.4828 13.0569 13.0569 13.1580 13.1580 18.5598 18.5598 19.1941 19.1941 19.2920 19.2920 20.0201 20.0201 k = 0.1894 0.1894 0.1894 ( 2542 PWs) bands (ev): -1.7579 -1.7579 -1.7470 -1.7470 -0.9207 -0.9207 -0.9045 -0.9045 -0.9035 -0.9035 5.0950 5.0950 7.1870 7.1870 7.5449 7.5449 7.7254 7.7254 7.7282 7.7282 7.8645 7.8645 7.9427 7.9427 8.3799 8.3799 8.9316 8.9316 8.9691 8.9691 9.3628 9.3628 9.3951 9.3951 9.4380 9.4380 9.5720 9.5720 9.6277 9.6277 10.2027 10.2027 12.4551 12.4551 13.0371 13.0371 13.1379 13.1379 18.4232 18.4232 19.0541 19.0541 19.1355 19.1355 20.1789 20.1789 k = 0.1970 0.1970 0.1970 ( 2539 PWs) bands (ev): -1.7572 -1.7572 -1.7458 -1.7458 -0.9201 -0.9201 -0.9036 -0.9036 -0.9013 -0.9013 5.1650 5.1650 7.1853 7.1853 7.5661 7.5661 7.7351 7.7351 7.7415 7.7415 7.8873 7.8873 7.9703 7.9703 8.3632 8.3632 8.9194 8.9194 8.9469 8.9469 9.3314 9.3314 9.3639 9.3639 9.4113 9.4113 9.5470 9.5470 9.6105 9.6105 10.1973 10.1973 12.4292 12.4292 13.0163 13.0163 13.1166 13.1166 18.2747 18.2747 18.9066 18.9066 18.9769 18.9769 20.3561 20.3561 k = 0.2045 0.2045 0.2045 ( 2539 PWs) bands (ev): -1.7564 -1.7564 -1.7447 -1.7447 -0.9195 -0.9195 -0.9027 -0.9027 -0.8993 -0.8993 5.2360 5.2360 7.1800 7.1800 7.5890 7.5890 7.7444 7.7444 7.7546 7.7546 7.9107 7.9107 7.9992 7.9992 8.3513 8.3513 8.9039 8.9039 8.9213 8.9213 9.3027 9.3027 9.3368 9.3368 9.3829 9.3829 9.5243 9.5243 9.5959 9.5959 10.1921 10.1921 12.4051 12.4051 12.9944 12.9944 13.0941 13.0941 18.1194 18.1194 18.7558 18.7558 18.8181 18.8181 20.5450 20.5450 k = 0.2121 0.2121 0.2121 ( 2539 PWs) bands (ev): -1.7557 -1.7557 -1.7436 -1.7436 -0.9191 -0.9191 -0.9018 -0.9018 -0.8972 -0.8972 5.3075 5.3075 7.1716 7.1716 7.6129 7.6129 7.7533 7.7533 7.7676 7.7676 7.9346 7.9346 8.0296 8.0296 8.3448 8.3448 8.8851 8.8851 8.8927 8.8927 9.2777 9.2777 9.3126 9.3126 9.3545 9.3545 9.5038 9.5038 9.5835 9.5835 10.1872 10.1872 12.3828 12.3828 12.9713 12.9713 13.0704 13.0704 17.9600 17.9600 18.6038 18.6038 18.6601 18.6601 20.7421 20.7421 k = 0.2197 0.2197 0.2197 ( 2545 PWs) bands (ev): -1.7550 -1.7550 -1.7428 -1.7428 -0.9188 -0.9188 -0.9009 -0.9009 -0.8954 -0.8954 5.3791 5.3791 7.1609 7.1609 7.6371 7.6371 7.7619 7.7619 7.7804 7.7804 7.9587 7.9587 8.0612 8.0612 8.3440 8.3440 8.8614 8.8614 8.8628 8.8628 9.2569 9.2569 9.2883 9.2883 9.3294 9.3294 9.4850 9.4850 9.5730 9.5730 10.1825 10.1825 12.3622 12.3622 12.9468 12.9468 13.0452 13.0452 17.7984 17.7984 18.4520 18.4520 18.5037 18.5037 20.9451 20.9451 k = 0.2273 0.2273 0.2273 ( 2551 PWs) bands (ev): -1.7545 -1.7545 -1.7419 -1.7419 -0.9187 -0.9187 -0.8999 -0.8999 -0.8935 -0.8935 5.4502 5.4502 7.1483 7.1483 7.6609 7.6609 7.7701 7.7701 7.7930 7.7930 7.9826 7.9826 8.0940 8.0940 8.3490 8.3490 8.8283 8.8283 8.8378 8.8378 9.2404 9.2404 9.2603 9.2603 9.3118 9.3118 9.4678 9.4678 9.5644 9.5644 10.1779 10.1779 12.3434 12.3434 12.9210 12.9210 13.0186 13.0186 17.6354 17.6354 18.3013 18.3013 18.3495 18.3495 21.1527 21.1527 k = 0.2348 0.2348 0.2348 ( 2539 PWs) bands (ev): -1.7538 -1.7538 -1.7411 -1.7411 -0.9187 -0.9187 -0.8989 -0.8989 -0.8917 -0.8917 5.5204 5.5204 7.1349 7.1349 7.6842 7.6842 7.7780 7.7780 7.8057 7.8057 8.0061 8.0061 8.1278 8.1278 8.3598 8.3598 8.7946 8.7946 8.8108 8.8108 9.2282 9.2282 9.2282 9.2282 9.3018 9.3018 9.4518 9.4518 9.5575 9.5575 10.1737 10.1737 12.3264 12.3264 12.8938 12.8938 12.9905 12.9905 17.4719 17.4719 18.1525 18.1525 18.1979 18.1979 21.3639 21.3639 k = 0.2424 0.2424 0.2424 ( 2542 PWs) bands (ev): -1.7532 -1.7532 -1.7405 -1.7405 -0.9188 -0.9188 -0.8979 -0.8979 -0.8900 -0.8900 5.5888 5.5888 7.1213 7.1213 7.7063 7.7063 7.7854 7.7854 7.8183 7.8183 8.0285 8.0285 8.1621 8.1621 8.3761 8.3761 8.7617 8.7617 8.7830 8.7830 9.1938 9.1938 9.2194 9.2194 9.2973 9.2973 9.4368 9.4368 9.5522 9.5522 10.1696 10.1696 12.3110 12.3110 12.8650 12.8650 12.9608 12.9608 17.3084 17.3084 18.0060 18.0060 18.0493 18.0493 21.5775 21.5775 k = 0.2500 0.2500 0.2500 ( 2542 PWs) bands (ev): -1.7527 -1.7527 -1.7399 -1.7399 -0.9191 -0.9191 -0.8969 -0.8969 -0.8884 -0.8884 5.6548 5.6548 7.1083 7.1083 7.7271 7.7271 7.7923 7.7923 7.8311 7.8311 8.0497 8.0497 8.1967 8.1967 8.3968 8.3968 8.7312 8.7312 8.7557 8.7557 9.1586 9.1586 9.2136 9.2136 9.2969 9.2969 9.4227 9.4227 9.5486 9.5486 10.1656 10.1656 12.2973 12.2973 12.8345 12.8345 12.9293 12.9293 17.1451 17.1451 17.8623 17.8623 17.9039 17.9039 21.7916 21.7916 k = 0.2576 0.2576 0.2576 ( 2542 PWs) bands (ev): -1.7522 -1.7522 -1.7394 -1.7394 -0.9195 -0.9195 -0.8959 -0.8959 -0.8869 -0.8869 5.7173 5.7173 7.0970 7.0970 7.7463 7.7463 7.7985 7.7985 7.8444 7.8444 8.0689 8.0689 8.2310 8.2310 8.4200 8.4200 8.7060 8.7060 8.7302 8.7302 9.1233 9.1233 9.2100 9.2100 9.2999 9.2999 9.4093 9.4093 9.5466 9.5466 10.1618 10.1618 12.2853 12.2853 12.8024 12.8024 12.8961 12.8961 16.9825 16.9825 17.7217 17.7217 17.7621 17.7621 21.9975 21.9975 k = 0.2652 0.2652 0.2652 ( 2533 PWs) bands (ev): -1.7517 -1.7517 -1.7390 -1.7390 -0.9201 -0.9201 -0.8948 -0.8948 -0.8854 -0.8854 5.7757 5.7757 7.0881 7.0881 7.7636 7.7636 7.8039 7.8039 7.8588 7.8588 8.0857 8.0857 8.2644 8.2644 8.4423 8.4423 8.6901 8.6901 8.7079 8.7079 9.0884 9.0884 9.2082 9.2082 9.3057 9.3057 9.3968 9.3968 9.5464 9.5464 10.1582 10.1582 12.2750 12.2750 12.7685 12.7685 12.8610 12.8610 16.8208 16.8208 17.5845 17.5845 17.6240 17.6240 22.0671 22.0671 k = 0.2727 0.2727 0.2727 ( 2521 PWs) bands (ev): -1.7512 -1.7512 -1.7387 -1.7387 -0.9207 -0.9207 -0.8937 -0.8937 -0.8841 -0.8841 5.8288 5.8288 7.0824 7.0824 7.7783 7.7783 7.8083 7.8083 7.8750 7.8750 8.0995 8.0995 8.2959 8.2959 8.4591 8.4591 8.6891 8.6891 8.6899 8.6899 9.0542 9.0542 9.2078 9.2078 9.3142 9.3142 9.3851 9.3851 9.5480 9.5480 10.1548 10.1548 12.2662 12.2662 12.7326 12.7326 12.8238 12.8238 16.6600 16.6600 17.4509 17.4509 17.4899 17.4899 21.8270 21.8270 k = 0.2803 0.2803 0.2803 ( 2521 PWs) bands (ev): -1.7509 -1.7509 -1.7386 -1.7386 -0.9215 -0.9215 -0.8928 -0.8928 -0.8829 -0.8829 5.8757 5.8757 7.0808 7.0808 7.7899 7.7899 7.8113 7.8113 7.8938 7.8938 8.1097 8.1097 8.3238 8.3238 8.4678 8.4678 8.6775 8.6775 8.7069 8.7069 9.0212 9.0212 9.2083 9.2083 9.3247 9.3247 9.3741 9.3741 9.5512 9.5512 10.1515 10.1515 12.2591 12.2591 12.6948 12.6948 12.7847 12.7847 16.5005 16.5005 17.3213 17.3213 17.3600 17.3600 21.5489 21.5489 k = 0.2879 0.2879 0.2879 ( 2515 PWs) bands (ev): -1.7505 -1.7505 -1.7385 -1.7385 -0.9224 -0.9224 -0.8917 -0.8917 -0.8818 -0.8818 5.9158 5.9158 7.0837 7.0837 7.7979 7.7979 7.8126 7.8126 7.9158 7.9158 8.1163 8.1163 8.3452 8.3452 8.4723 8.4723 8.6713 8.6713 8.7423 8.7423 8.9897 8.9897 9.2094 9.2094 9.3373 9.3373 9.3641 9.3641 9.5561 9.5561 10.1484 10.1484 12.2537 12.2537 12.6550 12.6550 12.7434 12.7434 16.3423 16.3423 17.1958 17.1958 17.2344 17.2344 21.2676 21.2676 k = 0.2955 0.2955 0.2955 ( 2515 PWs) bands (ev): -1.7503 -1.7503 -1.7385 -1.7385 -0.9234 -0.9234 -0.8908 -0.8908 -0.8808 -0.8808 5.9483 5.9483 7.0913 7.0913 7.8021 7.8021 7.8119 7.8119 7.9414 7.9414 8.1193 8.1193 8.3563 8.3563 8.4806 8.4806 8.6716 8.6716 8.7905 8.7905 8.9604 8.9604 9.2109 9.2109 9.3507 9.3507 9.3565 9.3565 9.5628 9.5628 10.1455 10.1455 12.2499 12.2499 12.6131 12.6131 12.6999 12.6999 16.1856 16.1856 17.0746 17.0746 17.1133 17.1133 20.9870 20.9870 k = 0.3030 0.3030 0.3030 ( 2503 PWs) bands (ev): -1.7500 -1.7500 -1.7386 -1.7386 -0.9244 -0.9244 -0.8898 -0.8898 -0.8798 -0.8798 5.9733 5.9733 7.1038 7.1038 7.8028 7.8028 7.8090 7.8090 7.9704 7.9704 8.1195 8.1195 8.3565 8.3565 8.4970 8.4970 8.6784 8.6784 8.8461 8.8461 8.9348 8.9348 9.2128 9.2128 9.3466 9.3466 9.3700 9.3700 9.5713 9.5713 10.1428 10.1428 12.2477 12.2477 12.5690 12.5690 12.6542 12.6542 16.0304 16.0304 16.9578 16.9578 16.9969 16.9969 20.7080 20.7080 k = 0.3106 0.3106 0.3106 ( 2503 PWs) bands (ev): -1.7498 -1.7498 -1.7389 -1.7389 -0.9257 -0.9257 -0.8889 -0.8889 -0.8791 -0.8791 5.9907 5.9907 7.1204 7.1204 7.7998 7.7998 7.8034 7.8034 8.0025 8.0025 8.1177 8.1177 8.3504 8.3504 8.5190 8.5190 8.6912 8.6912 8.8920 8.8920 8.9275 8.9275 9.2147 9.2147 9.3406 9.3406 9.3895 9.3895 9.5814 9.5814 10.1402 10.1402 12.2472 12.2472 12.5228 12.5228 12.6063 12.6063 15.8770 15.8770 16.8457 16.8457 16.8853 16.8853 20.4312 20.4312 k = 0.3182 0.3182 0.3182 ( 2503 PWs) bands (ev): -1.7497 -1.7497 -1.7392 -1.7392 -0.9270 -0.9270 -0.8880 -0.8880 -0.8784 -0.8784 6.0010 6.0010 7.1404 7.1404 7.7936 7.7936 7.7949 7.7949 8.0373 8.0373 8.1149 8.1149 8.3430 8.3430 8.5427 8.5427 8.7093 8.7093 8.8835 8.8835 8.9816 8.9816 9.2168 9.2168 9.3367 9.3367 9.4120 9.4120 9.5933 9.5933 10.1379 10.1379 12.2484 12.2484 12.4744 12.4744 12.5560 12.5560 15.7253 15.7253 16.7383 16.7383 16.7785 16.7785 20.1569 20.1569 k = 0.3258 0.3258 0.3258 ( 2503 PWs) bands (ev): -1.7496 -1.7496 -1.7396 -1.7396 -0.9284 -0.9284 -0.8872 -0.8872 -0.8778 -0.8778 6.0049 6.0049 7.1630 7.1630 7.7834 7.7834 7.7843 7.7843 8.0735 8.0735 8.1119 8.1119 8.3379 8.3379 8.5649 8.5649 8.7319 8.7319 8.8704 8.8704 9.0457 9.0457 9.2190 9.2190 9.3362 9.3362 9.4384 9.4384 9.6067 9.6067 10.1358 10.1358 12.2512 12.2512 12.4239 12.4239 12.5036 12.5036 15.5756 15.5756 16.6357 16.6357 16.6767 16.6767 19.8853 19.8853 k = 0.3333 0.3333 0.3333 ( 2509 PWs) bands (ev): -1.7495 -1.7495 -1.7401 -1.7401 -0.9299 -0.9299 -0.8864 -0.8864 -0.8774 -0.8774 6.0034 6.0034 7.1871 7.1871 7.7692 7.7692 7.7721 7.7721 8.1093 8.1093 8.1095 8.1095 8.3381 8.3381 8.5829 8.5829 8.7579 8.7579 8.8634 8.8634 9.1065 9.1065 9.2212 9.2212 9.3414 9.3414 9.4700 9.4700 9.6218 9.6218 10.1339 10.1339 12.2555 12.2555 12.3716 12.3716 12.4489 12.4489 15.4279 15.4279 16.5380 16.5380 16.5799 16.5799 19.6168 19.6168 k = 0.3409 0.3409 0.3409 ( 2497 PWs) bands (ev): -1.7495 -1.7495 -1.7406 -1.7406 -0.9313 -0.9313 -0.8856 -0.8856 -0.8769 -0.8769 5.9973 5.9973 7.2118 7.2118 7.7526 7.7526 7.7576 7.7576 8.1081 8.1081 8.1416 8.1416 8.3468 8.3468 8.5952 8.5952 8.7870 8.7870 8.8647 8.8647 9.1574 9.1574 9.2236 9.2236 9.3554 9.3554 9.5091 9.5091 9.6385 9.6385 10.1324 10.1324 12.2601 12.2601 12.3189 12.3189 12.3920 12.3920 15.2824 15.2824 16.4453 16.4453 16.4882 16.4882 19.3515 19.3515 k = 0.3485 0.3485 0.3485 ( 2503 PWs) bands (ev): -1.7495 -1.7495 -1.7412 -1.7412 -0.9329 -0.9329 -0.8848 -0.8848 -0.8766 -0.8766 5.9875 5.9875 7.2363 7.2363 7.7338 7.7338 7.7410 7.7410 8.1076 8.1076 8.1671 8.1671 8.3667 8.3667 8.6009 8.6009 8.8183 8.8183 8.8744 8.8744 9.1929 9.1929 9.2259 9.2259 9.3803 9.3803 9.5587 9.5587 9.6567 9.6567 10.1311 10.1311 12.2476 12.2476 12.2830 12.2830 12.3331 12.3331 15.1392 15.1392 16.3575 16.3575 16.4016 16.4016 19.0899 19.0899 k = 0.3561 0.3561 0.3561 ( 2503 PWs) bands (ev): -1.7496 -1.7496 -1.7419 -1.7419 -0.9344 -0.9344 -0.8841 -0.8841 -0.8764 -0.8764 5.9750 5.9750 7.2600 7.2600 7.7135 7.7135 7.7228 7.7228 8.1083 8.1083 8.1840 8.1840 8.3986 8.3986 8.6014 8.6014 8.8511 8.8511 8.8917 8.8917 9.2132 9.2132 9.2284 9.2284 9.4134 9.4134 9.6210 9.6210 9.6764 9.6764 10.1303 10.1303 12.1952 12.1952 12.2722 12.2722 12.2872 12.2872 14.9984 14.9984 16.2748 16.2748 16.3200 16.3200 18.8320 18.8320 k = 0.3636 0.3636 0.3636 ( 2503 PWs) bands (ev): -1.7497 -1.7497 -1.7425 -1.7425 -0.9360 -0.9360 -0.8834 -0.8834 -0.8762 -0.8762 5.9604 5.9604 7.2825 7.2825 7.6920 7.6920 7.7035 7.7035 8.1098 8.1098 8.1935 8.1935 8.4396 8.4396 8.5992 8.5992 8.8851 8.8851 8.9145 8.9145 9.2236 9.2236 9.2310 9.2310 9.4492 9.4492 9.6958 9.6958 9.6976 9.6976 10.1300 10.1300 12.1354 12.1354 12.2096 12.2096 12.2991 12.2991 14.8601 14.8601 16.1971 16.1971 16.2434 16.2434 18.5783 18.5783 k = 0.3712 0.3712 0.3712 ( 2509 PWs) bands (ev): -1.7498 -1.7498 -1.7433 -1.7433 -0.9376 -0.9376 -0.8828 -0.8828 -0.8761 -0.8761 5.9442 5.9442 7.3035 7.3035 7.6700 7.6700 7.6835 7.6835 8.1121 8.1121 8.1980 8.1980 8.4837 8.4837 8.5986 8.5986 8.9197 8.9197 8.9407 8.9407 9.2288 9.2288 9.2337 9.2337 9.4848 9.4848 9.7204 9.7204 9.7809 9.7809 10.1306 10.1306 12.0732 12.0732 12.1453 12.1453 12.3139 12.3139 14.7245 14.7245 16.1243 16.1243 16.1719 16.1719 18.3292 18.3292 k = 0.3788 0.3788 0.3788 ( 2503 PWs) bands (ev): -1.7499 -1.7499 -1.7439 -1.7439 -0.9391 -0.9391 -0.8821 -0.8821 -0.8760 -0.8760 5.9273 5.9273 7.3229 7.3229 7.6478 7.6478 7.6632 7.6632 8.1150 8.1150 8.1995 8.1995 8.5198 8.5198 8.6093 8.6093 8.9546 8.9546 8.9687 8.9687 9.2318 9.2318 9.2365 9.2365 9.5197 9.5197 9.7446 9.7446 9.8729 9.8729 10.1328 10.1328 12.0094 12.0094 12.0797 12.0797 12.3314 12.3314 14.5919 14.5919 16.0565 16.0565 16.1053 16.1053 18.0849 18.0849 k = 0.3864 0.3864 0.3864 ( 2503 PWs) bands (ev): -1.7501 -1.7501 -1.7446 -1.7446 -0.9406 -0.9406 -0.8816 -0.8816 -0.8761 -0.8761 5.9098 5.9098 7.3406 7.3406 7.6258 7.6258 7.6430 7.6430 8.1183 8.1183 8.1990 8.1990 8.5349 8.5349 8.6429 8.6429 8.9891 8.9891 8.9969 8.9969 9.2341 9.2341 9.2396 9.2396 9.5546 9.5546 9.7704 9.7704 9.9672 9.9672 10.1389 10.1389 11.9442 11.9442 12.0130 12.0130 12.3515 12.3515 14.4623 14.4623 15.9935 15.9935 16.0435 16.0435 17.8461 17.8461 k = 0.3939 0.3939 0.3939 ( 2506 PWs) bands (ev): -1.7502 -1.7502 -1.7454 -1.7454 -0.9421 -0.9421 -0.8810 -0.8810 -0.8761 -0.8761 5.8923 5.8923 7.3567 7.3567 7.6042 7.6042 7.6231 7.6231 8.1217 8.1217 8.1972 8.1972 8.5353 8.5353 8.6922 8.6922 9.0228 9.0228 9.0242 9.0242 9.2367 9.2367 9.2428 9.2428 9.5899 9.5899 9.7979 9.7979 10.0515 10.0515 10.1594 10.1594 11.8781 11.8781 11.9455 11.9455 12.3741 12.3741 14.3360 14.3360 15.9352 15.9352 15.9864 15.9864 17.6131 17.6131 k = 0.4015 0.4015 0.4015 ( 2512 PWs) bands (ev): -1.7504 -1.7504 -1.7462 -1.7462 -0.9436 -0.9436 -0.8806 -0.8806 -0.8762 -0.8762 5.8749 5.8749 7.3710 7.3710 7.5834 7.5834 7.6038 7.6038 8.1253 8.1253 8.1944 8.1944 8.5312 8.5312 8.7464 8.7464 9.0498 9.0498 9.0554 9.0554 9.2401 9.2401 9.2464 9.2464 9.6260 9.6260 9.8268 9.8268 10.0959 10.0959 10.2228 10.2228 11.8113 11.8113 11.8775 11.8775 12.3994 12.3994 14.2134 14.2134 15.8816 15.8816 15.9340 15.9340 17.3866 17.3866 k = 0.4091 0.4091 0.4091 ( 2515 PWs) bands (ev): -1.7506 -1.7506 -1.7470 -1.7470 -0.9451 -0.9451 -0.8801 -0.8801 -0.8763 -0.8763 5.8581 5.8581 7.3840 7.3840 7.5634 7.5634 7.5853 7.5853 8.1288 8.1288 8.1910 8.1910 8.5259 8.5259 8.8009 8.8009 9.0731 9.0731 9.0862 9.0862 9.2447 9.2447 9.2503 9.2503 9.6629 9.6629 9.8573 9.8573 10.1095 10.1095 10.3191 10.3191 11.7444 11.7444 11.8094 11.8094 12.4274 12.4274 14.0945 14.0945 15.8325 15.8325 15.8862 15.8862 17.1675 17.1675 k = 0.4167 0.4167 0.4167 ( 2509 PWs) bands (ev): -1.7507 -1.7507 -1.7477 -1.7477 -0.9464 -0.9464 -0.8796 -0.8796 -0.8763 -0.8763 5.8421 5.8421 7.3954 7.3954 7.5447 7.5447 7.5680 7.5680 8.1323 8.1323 8.1870 8.1870 8.5209 8.5209 8.8538 8.8538 9.0938 9.0938 9.1150 9.1150 9.2508 9.2508 9.2547 9.2547 9.7008 9.7008 9.8893 9.8893 10.1154 10.1154 10.4237 10.4237 11.6777 11.6777 11.7416 11.7416 12.4581 12.4581 13.9800 13.9800 15.7879 15.7879 15.8427 15.8427 16.9564 16.9564 k = 0.4242 0.4242 0.4242 ( 2503 PWs) bands (ev): -1.7509 -1.7509 -1.7483 -1.7483 -0.9476 -0.9476 -0.8792 -0.8792 -0.8764 -0.8764 5.8269 5.8269 7.4055 7.4055 7.5271 7.5271 7.5518 7.5518 8.1356 8.1356 8.1828 8.1828 8.5164 8.5164 8.9037 8.9037 9.1118 9.1118 9.1412 9.1412 9.2584 9.2584 9.2598 9.2598 9.7393 9.7393 9.9224 9.9224 10.1197 10.1197 10.5297 10.5297 11.6117 11.6117 11.6748 11.6748 12.4912 12.4912 13.8701 13.8701 15.7475 15.7475 15.8035 15.8035 16.7544 16.7544 k = 0.4318 0.4318 0.4318 ( 2500 PWs) bands (ev): -1.7510 -1.7510 -1.7489 -1.7489 -0.9488 -0.9488 -0.8788 -0.8788 -0.8765 -0.8765 5.8128 5.8128 7.4142 7.4142 7.5110 7.5110 7.5371 7.5371 8.1388 8.1388 8.1783 8.1783 8.5126 8.5126 8.9494 8.9494 9.1276 9.1276 9.1641 9.1641 9.2657 9.2657 9.2672 9.2672 9.7779 9.7779 9.9566 9.9566 10.1237 10.1237 10.6343 10.6343 11.5472 11.5472 11.6094 11.6094 12.5266 12.5266 13.7654 13.7654 15.7113 15.7113 15.7685 15.7685 16.5626 16.5626 k = 0.4394 0.4394 0.4394 ( 2512 PWs) bands (ev): -1.7513 -1.7513 -1.7496 -1.7496 -0.9499 -0.9499 -0.8785 -0.8785 -0.8767 -0.8767 5.7998 5.7998 7.4215 7.4215 7.4963 7.4963 7.5238 7.5238 8.1416 8.1416 8.1738 8.1738 8.5094 8.5094 8.9899 8.9899 9.1419 9.1419 9.1834 9.1834 9.2727 9.2727 9.2766 9.2766 9.8159 9.8159 9.9913 9.9913 10.1280 10.1280 10.7354 10.7354 11.4847 11.4847 11.5462 11.5462 12.5639 12.5639 13.6665 13.6665 15.6790 15.6790 15.7374 15.7374 16.3826 16.3826 k = 0.4470 0.4470 0.4470 ( 2506 PWs) bands (ev): -1.7514 -1.7514 -1.7500 -1.7500 -0.9509 -0.9509 -0.8782 -0.8782 -0.8768 -0.8768 5.7882 5.7882 7.4276 7.4276 7.4832 7.4832 7.5122 7.5122 8.1442 8.1442 8.1695 8.1695 8.5069 8.5069 9.0242 9.0242 9.1559 9.1559 9.1989 9.1989 9.2809 9.2809 9.2863 9.2863 9.8526 9.8526 10.0259 10.0259 10.1333 10.1333 10.8313 10.8313 11.4254 11.4254 11.4859 11.4859 12.6025 12.6025 13.5742 13.5742 15.6507 15.6507 15.7104 15.7104 16.2160 16.2160 k = 0.4545 0.4545 0.4545 ( 2500 PWs) bands (ev): -1.7515 -1.7515 -1.7505 -1.7505 -0.9517 -0.9517 -0.8780 -0.8780 -0.8769 -0.8769 5.7780 5.7780 7.4324 7.4324 7.4718 7.4718 7.5025 7.5025 8.1465 8.1465 8.1656 8.1656 8.5050 8.5050 9.0513 9.0513 9.1704 9.1704 9.2106 9.2106 9.2899 9.2899 9.2955 9.2955 9.8867 9.8867 10.0597 10.0597 10.1397 10.1397 10.9200 10.9200 11.3702 11.3702 11.4296 11.4296 12.6415 12.6415 13.4893 13.4893 15.6259 15.6259 15.6871 15.6871 16.0648 16.0648 k = 0.4621 0.4621 0.4621 ( 2497 PWs) bands (ev): -1.7516 -1.7516 -1.7508 -1.7508 -0.9524 -0.9524 -0.8777 -0.8777 -0.8770 -0.8770 5.7693 5.7693 7.4359 7.4359 7.4620 7.4620 7.4947 7.4947 8.1484 8.1484 8.1619 8.1619 8.5035 8.5035 9.0713 9.0713 9.1857 9.1857 9.2191 9.2191 9.2991 9.2991 9.3040 9.3040 9.9171 9.9171 10.0917 10.0917 10.1472 10.1472 10.9990 10.9990 11.3208 11.3208 11.3784 11.3784 12.6796 12.6796 13.4131 13.4131 15.6043 15.6043 15.6676 15.6676 15.9315 15.9315 k = 0.4697 0.4697 0.4697 ( 2503 PWs) bands (ev): -1.7517 -1.7517 -1.7512 -1.7512 -0.9530 -0.9530 -0.8776 -0.8776 -0.8771 -0.8771 5.7620 5.7620 7.4380 7.4380 7.4539 7.4539 7.4888 7.4888 8.1500 8.1500 8.1588 8.1588 8.5024 8.5024 9.0850 9.0850 9.2008 9.2008 9.2250 9.2250 9.3076 9.3076 9.3112 9.3112 9.9427 9.9427 10.1207 10.1207 10.1558 10.1558 11.0655 11.0655 11.2795 11.2795 11.3336 11.3336 12.7154 12.7154 13.3469 13.3469 15.5856 15.5856 15.6517 15.6517 15.8187 15.8187 k = 0.4773 0.4773 0.4773 ( 2512 PWs) bands (ev): -1.7518 -1.7518 -1.7516 -1.7516 -0.9535 -0.9535 -0.8775 -0.8775 -0.8773 -0.8773 5.7563 5.7563 7.4391 7.4391 7.4476 7.4476 7.4847 7.4847 8.1513 8.1513 8.1562 8.1562 8.5016 8.5016 9.0939 9.0939 9.2143 9.2143 9.2291 9.2291 9.3148 9.3148 9.3170 9.3170 9.9626 9.9626 10.1454 10.1454 10.1647 10.1647 11.1149 11.1149 11.2502 11.2502 11.2965 11.2965 12.7470 12.7470 13.2921 13.2921 15.5688 15.5688 15.6395 15.6395 15.7297 15.7297 k = 0.4848 0.4848 0.4848 ( 2512 PWs) bands (ev): -1.7519 -1.7519 -1.7518 -1.7518 -0.9539 -0.9539 -0.8774 -0.8774 -0.8773 -0.8773 5.7522 5.7522 7.4394 7.4394 7.4430 7.4430 7.4822 7.4822 8.1522 8.1522 8.1544 8.1544 8.5011 8.5011 9.0994 9.0994 9.2248 9.2248 9.2318 9.2318 9.3202 9.3202 9.3212 9.3212 9.9767 9.9767 10.1644 10.1644 10.1728 10.1728 11.1410 11.1410 11.2386 11.2386 11.2686 11.2686 12.7721 12.7721 13.2507 13.2507 15.5529 15.5529 15.6308 15.6308 15.6679 15.6679 k = 0.4924 0.4924 0.4924 ( 2512 PWs) bands (ev): -1.7519 -1.7519 -1.7519 -1.7519 -0.9541 -0.9541 -0.8774 -0.8774 -0.8773 -0.8773 5.7498 5.7498 7.4394 7.4394 7.4403 7.4403 7.4809 7.4809 8.1527 8.1527 8.1533 8.1533 8.5008 8.5008 9.1024 9.1024 9.2315 9.2315 9.2333 9.2333 9.3236 9.3236 9.3238 9.3238 9.9850 9.9850 10.1763 10.1763 10.1784 10.1784 11.1464 11.1464 11.2420 11.2420 11.2513 11.2513 12.7885 12.7885 13.2248 13.2248 15.5394 15.5394 15.6256 15.6256 15.6341 15.6341 k = 0.5000 0.5000 0.5000 ( 2512 PWs) bands (ev): -1.7519 -1.7519 -1.7519 -1.7519 -0.9542 -0.9542 -0.8774 -0.8774 -0.8774 -0.8774 5.7489 5.7489 7.4394 7.4394 7.4394 7.4394 7.4805 7.4805 8.1529 8.1529 8.1529 8.1529 8.5007 8.5007 9.1033 9.1033 9.2338 9.2338 9.2338 9.2338 9.3247 9.3247 9.3247 9.3247 9.9877 9.9877 10.1805 10.1805 10.1805 10.1805 11.1459 11.1459 11.2454 11.2454 11.2454 11.2454 12.7943 12.7943 13.2159 13.2159 15.5336 15.5336 15.6238 15.6238 15.6238 15.6238 k = 0.5000 0.5000 0.5000 ( 2512 PWs) bands (ev): -1.7519 -1.7519 -1.7519 -1.7519 -0.9542 -0.9542 -0.8774 -0.8774 -0.8774 -0.8774 5.7489 5.7489 7.4394 7.4394 7.4394 7.4394 7.4805 7.4805 8.1529 8.1529 8.1529 8.1529 8.5007 8.5007 9.1033 9.1033 9.2338 9.2338 9.2338 9.2338 9.3247 9.3247 9.3247 9.3247 9.9877 9.9877 10.1805 10.1805 10.1805 10.1805 11.1459 11.1459 11.2454 11.2454 11.2454 11.2454 12.7943 12.7943 13.2159 13.2159 15.5336 15.5336 15.6238 15.6238 15.6238 15.6238 k = 0.4907 0.5000 0.4907 ( 2512 PWs) bands (ev): -1.7519 -1.7519 -1.7519 -1.7519 -0.9541 -0.9541 -0.8774 -0.8774 -0.8773 -0.8773 5.7498 5.7498 7.4395 7.4395 7.4403 7.4403 7.4809 7.4809 8.1527 8.1527 8.1532 8.1532 8.5008 8.5008 9.1024 9.1024 9.2316 9.2316 9.2332 9.2332 9.3232 9.3232 9.3242 9.3242 9.9850 9.9850 10.1764 10.1764 10.1784 10.1784 11.1465 11.1465 11.2424 11.2424 11.2508 11.2508 12.7885 12.7885 13.2247 13.2247 15.5394 15.5394 15.6261 15.6261 15.6334 15.6334 k = 0.4815 0.5000 0.4815 ( 2512 PWs) bands (ev): -1.7519 -1.7519 -1.7518 -1.7518 -0.9539 -0.9539 -0.8775 -0.8775 -0.8773 -0.8773 5.7522 5.7522 7.4398 7.4398 7.4427 7.4427 7.4822 7.4822 8.1523 8.1523 8.1543 8.1543 8.5011 8.5011 9.0995 9.0995 9.2252 9.2252 9.2314 9.2314 9.3188 9.3188 9.3226 9.3226 9.9768 9.9768 10.1646 10.1646 10.1725 10.1725 11.1428 11.1428 11.2381 11.2381 11.2672 11.2672 12.7721 12.7721 13.2507 13.2507 15.5536 15.5536 15.6337 15.6337 15.6642 15.6642 k = 0.4722 0.5000 0.4722 ( 2512 PWs) bands (ev): -1.7518 -1.7518 -1.7516 -1.7516 -0.9535 -0.9535 -0.8776 -0.8776 -0.8772 -0.8772 5.7563 5.7563 7.4401 7.4401 7.4466 7.4466 7.4846 7.4846 8.1515 8.1515 8.1560 8.1560 8.5016 8.5016 9.0942 9.0942 9.2146 9.2146 9.2287 9.2287 9.3116 9.3116 9.3201 9.3201 9.9628 9.9628 10.1458 10.1458 10.1639 10.1639 11.1234 11.1234 11.2431 11.2431 11.2949 11.2949 12.7469 12.7469 13.2920 13.2920 15.5696 15.5696 15.6490 15.6490 15.7192 15.7192 k = 0.4630 0.5000 0.4630 ( 2504 PWs) bands (ev): -1.7517 -1.7517 -1.7513 -1.7513 -0.9530 -0.9530 -0.8777 -0.8777 -0.8770 -0.8770 5.7620 5.7620 7.4404 7.4404 7.4516 7.4516 7.4886 7.4886 8.1504 8.1504 8.1584 8.1584 8.5024 8.5024 9.0862 9.0862 9.2000 9.2000 9.2252 9.2252 9.3015 9.3015 9.3169 9.3169 9.9432 9.9432 10.1213 10.1213 10.1541 10.1541 11.0853 11.0853 11.2587 11.2587 11.3342 11.3342 12.7161 12.7161 13.3460 13.3460 15.5830 15.5830 15.6749 15.6749 15.7983 15.7983 k = 0.4537 0.5000 0.4537 ( 2498 PWs) bands (ev): -1.7516 -1.7516 -1.7509 -1.7509 -0.9524 -0.9524 -0.8779 -0.8779 -0.8769 -0.8769 5.7693 5.7693 7.4405 7.4405 7.4572 7.4572 7.4948 7.4948 8.1491 8.1491 8.1613 8.1613 8.5035 8.5035 9.0746 9.0746 9.1816 9.1816 9.2212 9.2212 9.2887 9.2887 9.3132 9.3132 9.9179 9.9179 10.0923 10.0923 10.1440 10.1440 11.0343 11.0343 11.2777 11.2777 11.3846 11.3846 12.6835 12.6835 13.4098 13.4098 15.5936 15.5936 15.7128 15.7128 15.8987 15.8987 k = 0.4444 0.5000 0.4444 ( 2502 PWs) bands (ev): -1.7514 -1.7514 -1.7505 -1.7505 -0.9517 -0.9517 -0.8782 -0.8782 -0.8767 -0.8767 5.7780 5.7780 7.4401 7.4401 7.4630 7.4630 7.5035 7.5035 8.1474 8.1474 8.1647 8.1647 8.5049 8.5049 9.0590 9.0590 9.1596 9.1596 9.2168 9.2168 9.2736 9.2736 9.3090 9.3090 9.8875 9.8875 10.0600 10.0600 10.1343 10.1343 10.9754 10.9754 11.2945 11.2945 11.4448 11.4448 12.6534 12.6534 13.4804 13.4804 15.6024 15.6024 15.7626 15.7626 16.0172 16.0172 k = 0.4352 0.5000 0.4352 ( 2500 PWs) bands (ev): -1.7512 -1.7512 -1.7501 -1.7501 -0.9508 -0.9508 -0.8785 -0.8785 -0.8765 -0.8765 5.7883 5.7883 7.4393 7.4393 7.4688 7.4688 7.5151 7.5151 8.1453 8.1453 8.1685 8.1685 8.5068 8.5068 9.0390 9.0390 9.1343 9.1343 9.2117 9.2117 9.2570 9.2570 9.3046 9.3046 9.8527 9.8527 10.0258 10.0258 10.1253 10.1253 10.9120 10.9120 11.3050 11.3050 11.5133 11.5133 12.6304 12.6304 13.5551 13.5551 15.6107 15.6107 15.8243 15.8243 16.1512 16.1512 k = 0.4259 0.5000 0.4259 ( 2504 PWs) bands (ev): -1.7511 -1.7511 -1.7496 -1.7496 -0.9499 -0.9499 -0.8789 -0.8789 -0.8762 -0.8762 5.8000 5.8000 7.4379 7.4379 7.4745 7.4745 7.5294 7.5294 8.1430 8.1430 8.1724 8.1724 8.5092 8.5092 9.0145 9.0145 9.1055 9.1055 9.2034 9.2034 9.2414 9.2414 9.3000 9.3000 9.8143 9.8143 9.9905 9.9905 10.1169 10.1169 10.8465 10.8465 11.3060 11.3060 11.5886 11.5886 12.6183 12.6183 13.6314 13.6314 15.6191 15.6191 15.8979 15.8979 16.2985 16.2985 k = 0.4167 0.5000 0.4167 ( 2508 PWs) bands (ev): -1.7509 -1.7509 -1.7491 -1.7491 -0.9488 -0.9488 -0.8794 -0.8794 -0.8760 -0.8760 5.8131 5.8131 7.4361 7.4361 7.4804 7.4804 7.5461 7.5461 8.1403 8.1403 8.1765 8.1765 8.5123 8.5123 8.9859 8.9859 9.0735 9.0735 9.1881 9.1881 9.2312 9.2312 9.2952 9.2952 9.7727 9.7727 9.9552 9.9552 10.1089 10.1089 10.7808 10.7808 11.2952 11.2952 11.6699 11.6699 12.6202 12.6202 13.7073 13.7073 15.6281 15.6281 15.9837 15.9837 16.4573 16.4573 k = 0.4074 0.5000 0.4074 ( 2504 PWs) bands (ev): -1.7507 -1.7507 -1.7485 -1.7485 -0.9476 -0.9476 -0.8798 -0.8798 -0.8757 -0.8757 5.8276 5.8276 7.4338 7.4338 7.4865 7.4865 7.5650 7.5650 8.1372 8.1372 8.1805 8.1805 8.5162 8.5162 8.9538 8.9538 9.0383 9.0383 9.1652 9.1652 9.2268 9.2268 9.2904 9.2904 9.7285 9.7285 9.9206 9.9206 10.1012 10.1012 10.7163 10.7163 11.2717 11.2717 11.7562 11.7562 12.6380 12.6380 13.7812 13.7812 15.6378 15.6378 16.0819 16.0819 16.6260 16.6260 k = 0.3981 0.5000 0.3981 ( 2508 PWs) bands (ev): -1.7505 -1.7505 -1.7479 -1.7479 -0.9464 -0.9464 -0.8804 -0.8804 -0.8754 -0.8754 5.8432 5.8432 7.4310 7.4310 7.4927 7.4927 7.5857 7.5857 8.1337 8.1337 8.1842 8.1842 8.5209 8.5209 8.9189 8.9189 9.0000 9.0000 9.1376 9.1376 9.2254 9.2254 9.2855 9.2855 9.6821 9.6821 9.8872 9.8872 10.0935 10.0935 10.6541 10.6541 11.2360 11.2360 11.8469 11.8469 12.6719 12.6719 13.8520 13.8520 15.6485 15.6485 16.1925 16.1925 16.8033 16.8033 k = 0.3889 0.5000 0.3889 ( 2516 PWs) bands (ev): -1.7503 -1.7503 -1.7473 -1.7473 -0.9451 -0.9451 -0.8810 -0.8810 -0.8751 -0.8751 5.8599 5.8599 7.4278 7.4278 7.4990 7.4990 7.6082 7.6082 8.1298 8.1298 8.1872 8.1872 8.5266 8.5266 8.8820 8.8820 8.9589 8.9589 9.1071 9.1071 9.2249 9.2249 9.2804 9.2804 9.6339 9.6339 9.8554 9.8554 10.0858 10.0858 10.5949 10.5949 11.1894 11.1894 11.9416 11.9416 12.7210 12.7210 13.9189 13.9189 15.6601 15.6601 16.3153 16.3153 16.9882 16.9882 k = 0.3796 0.5000 0.3796 ( 2516 PWs) bands (ev): -1.7500 -1.7500 -1.7466 -1.7466 -0.9437 -0.9437 -0.8816 -0.8816 -0.8748 -0.8748 5.8777 5.8777 7.4242 7.4242 7.5055 7.5055 7.6321 7.6321 8.1253 8.1253 8.1896 8.1896 8.5334 8.5334 8.8438 8.8438 8.9155 8.9155 9.0748 9.0748 9.2242 9.2242 9.2752 9.2752 9.5847 9.5847 9.8254 9.8254 10.0779 10.0779 10.5392 10.5392 11.1341 11.1341 12.0397 12.0397 12.7835 12.7835 13.9815 13.9815 15.6729 15.6729 16.4500 16.4500 17.1799 17.1799 k = 0.3704 0.5000 0.3704 ( 2508 PWs) bands (ev): -1.7498 -1.7498 -1.7458 -1.7458 -0.9422 -0.9422 -0.8822 -0.8822 -0.8744 -0.8744 5.8964 5.8964 7.4203 7.4203 7.5119 7.5119 7.6574 7.6574 8.1202 8.1202 8.1910 8.1910 8.5412 8.5412 8.8051 8.8051 8.8703 8.8703 9.0413 9.0413 9.2218 9.2218 9.2701 9.2701 9.5355 9.5355 9.7973 9.7973 10.0698 10.0698 10.4873 10.4873 11.0722 11.0722 12.1411 12.1411 12.8577 12.8577 14.0399 14.0399 15.6869 15.6869 16.5962 16.5962 17.3777 17.3777 k = 0.3611 0.5000 0.3611 ( 2512 PWs) bands (ev): -1.7495 -1.7495 -1.7451 -1.7451 -0.9407 -0.9407 -0.8829 -0.8829 -0.8741 -0.8741 5.9158 5.9158 7.4160 7.4160 7.5181 7.5181 7.6836 7.6836 8.1144 8.1144 8.1912 8.1912 8.5497 8.5497 8.7666 8.7666 8.8237 8.8237 9.0075 9.0075 9.2157 9.2157 9.2651 9.2651 9.4881 9.4881 9.7708 9.7708 10.0613 10.0613 10.4393 10.4393 11.0057 11.0057 12.2455 12.2455 12.9418 12.9418 14.0941 14.0941 15.7022 15.7022 16.7532 16.7532 17.5809 17.5809 k = 0.3519 0.5000 0.3519 ( 2508 PWs) bands (ev): -1.7493 -1.7493 -1.7443 -1.7443 -0.9391 -0.9391 -0.8837 -0.8837 -0.8738 -0.8738 5.9358 5.9358 7.4114 7.4114 7.5239 7.5239 7.7108 7.7108 8.1075 8.1075 8.1901 8.1901 8.5585 8.5585 8.7291 8.7291 8.7767 8.7767 8.9741 8.9741 9.2029 9.2029 9.2606 9.2606 9.4452 9.4452 9.7461 9.7461 10.0526 10.0526 10.3952 10.3952 10.9364 10.9364 12.3526 12.3526 13.0342 13.0342 14.1445 14.1445 15.7189 15.7189 16.9202 16.9202 17.7890 17.7890 k = 0.3426 0.5000 0.3426 ( 2516 PWs) bands (ev): -1.7491 -1.7491 -1.7437 -1.7437 -0.9375 -0.9375 -0.8845 -0.8845 -0.8735 -0.8735 5.9561 5.9561 7.4063 7.4063 7.5291 7.5291 7.7386 7.7386 8.0993 8.0993 8.1877 8.1877 8.5668 8.5668 8.6937 8.6937 8.7299 8.7299 8.9422 8.9422 9.1802 9.1802 9.2564 9.2564 9.4104 9.4104 9.7227 9.7227 10.0434 10.0434 10.3547 10.3547 10.8654 10.8654 12.4623 12.4623 13.1337 13.1337 14.1915 14.1915 15.7370 15.7370 17.0965 17.0965 18.0017 18.0017 k = 0.3333 0.5000 0.3333 ( 2508 PWs) bands (ev): -1.7488 -1.7488 -1.7429 -1.7429 -0.9358 -0.9358 -0.8853 -0.8853 -0.8731 -0.8731 5.9767 5.9767 7.4009 7.4009 7.5337 7.5337 7.7669 7.7669 8.0896 8.0896 8.1840 8.1840 8.5726 8.5726 8.6617 8.6617 8.6843 8.6843 8.9128 8.9128 9.1459 9.1459 9.2520 9.2520 9.3865 9.3865 9.7008 9.7008 10.0339 10.0339 10.3180 10.3180 10.7938 10.7938 12.5744 12.5744 13.2393 13.2393 14.2358 14.2358 15.7567 15.7567 17.2815 17.2815 18.2186 18.2186 k = 0.3241 0.5000 0.3241 ( 2520 PWs) bands (ev): -1.7487 -1.7487 -1.7423 -1.7423 -0.9342 -0.9342 -0.8863 -0.8863 -0.8729 -0.8729 5.9972 5.9972 7.3951 7.3951 7.5374 7.5374 7.7954 7.7954 8.0779 8.0779 8.1792 8.1792 8.5716 8.5716 8.6346 8.6346 8.6423 8.6423 8.8873 8.8873 9.1009 9.1009 9.2471 9.2471 9.3731 9.3731 9.6799 9.6799 10.0238 10.0238 10.2845 10.2845 10.7224 10.7224 12.6887 12.6887 13.3500 13.3500 14.2777 14.2777 15.7781 15.7781 17.4743 17.4743 18.4394 18.4394 k = 0.3148 0.5000 0.3148 ( 2520 PWs) bands (ev): -1.7485 -1.7485 -1.7416 -1.7416 -0.9326 -0.9326 -0.8872 -0.8872 -0.8727 -0.8727 6.0174 6.0174 7.3887 7.3887 7.5400 7.5400 7.8238 7.8238 8.0639 8.0639 8.1739 8.1739 8.5590 8.5590 8.5980 8.5980 8.6229 8.6229 8.8676 8.8676 9.0485 9.0485 9.2418 9.2418 9.3676 9.3676 9.6602 9.6602 10.0134 10.0134 10.2542 10.2542 10.6518 10.6518 12.8053 12.8053 13.4652 13.4652 14.3178 14.3178 15.8011 15.8011 17.6743 17.6743 18.6638 18.6638 k = 0.3056 0.5000 0.3056 ( 2516 PWs) bands (ev): -1.7483 -1.7483 -1.7409 -1.7409 -0.9309 -0.9309 -0.8882 -0.8882 -0.8725 -0.8725 6.0372 6.0372 7.3819 7.3819 7.5415 7.5415 7.8517 7.8517 8.0477 8.0477 8.1682 8.1682 8.5368 8.5368 8.5606 8.5606 8.6142 8.6142 8.8544 8.8544 8.9929 8.9929 9.2361 9.2361 9.3672 9.3672 9.6416 9.6416 10.0026 10.0026 10.2267 10.2267 10.5823 10.5823 12.9239 12.9239 13.5845 13.5845 14.3567 14.3567 15.8260 15.8260 17.8809 17.8809 18.8917 18.8917 k = 0.2963 0.5000 0.2963 ( 2516 PWs) bands (ev): -1.7481 -1.7481 -1.7403 -1.7403 -0.9292 -0.9292 -0.8892 -0.8892 -0.8723 -0.8723 6.0560 6.0560 7.3745 7.3745 7.5419 7.5419 7.8785 7.8785 8.0296 8.0296 8.1627 8.1627 8.5106 8.5106 8.5271 8.5271 8.6055 8.6055 8.8445 8.8445 8.9405 8.9405 9.2301 9.2301 9.3700 9.3700 9.6240 9.6240 9.9914 9.9914 10.2019 10.2019 10.5140 10.5140 13.0445 13.0445 13.7073 13.7073 14.3948 14.3948 15.8529 15.8529 18.0936 18.0936 19.1227 19.1227 k = 0.2870 0.5000 0.2870 ( 2526 PWs) bands (ev): -1.7481 -1.7481 -1.7398 -1.7398 -0.9276 -0.9276 -0.8903 -0.8903 -0.8722 -0.8722 6.0737 6.0737 7.3663 7.3663 7.5410 7.5410 7.9024 7.9024 8.0111 8.0111 8.1575 8.1575 8.4835 8.4835 8.4970 8.4970 8.5945 8.5945 8.8225 8.8225 8.9080 8.9080 9.2240 9.2240 9.3745 9.3745 9.6075 9.6075 9.9797 9.9797 10.1794 10.1794 10.4472 10.4472 13.1670 13.1670 13.8334 13.8334 14.4325 14.4325 15.8818 15.8818 18.3117 18.3117 19.3567 19.3567 k = 0.2778 0.5000 0.2778 ( 2526 PWs) bands (ev): -1.7480 -1.7480 -1.7392 -1.7392 -0.9259 -0.9259 -0.8914 -0.8914 -0.8721 -0.8721 6.0900 6.0900 7.3573 7.3573 7.5392 7.5392 7.9188 7.9188 7.9975 7.9975 8.1531 8.1531 8.4577 8.4577 8.4686 8.4686 8.5821 8.5821 8.7761 8.7761 8.9076 8.9076 9.2178 9.2178 9.3798 9.3798 9.5923 9.5923 9.9677 9.9677 10.1591 10.1591 10.3820 10.3820 13.2913 13.2913 13.9624 13.9624 14.4703 14.4703 15.9129 15.9129 18.5350 18.5350 19.5936 19.5936 k = 0.2685 0.5000 0.2685 ( 2526 PWs) bands (ev): -1.7480 -1.7480 -1.7386 -1.7386 -0.9243 -0.9243 -0.8925 -0.8925 -0.8721 -0.8721 6.1046 6.1046 7.3474 7.3474 7.5367 7.5367 7.9179 7.9179 7.9988 7.9988 8.1494 8.1494 8.4339 8.4339 8.4406 8.4406 8.5701 8.5701 8.7204 8.7204 8.9238 8.9238 9.2115 9.2115 9.3851 9.3851 9.5786 9.5786 9.9554 9.9554 10.1409 10.1409 10.3183 10.3183 13.4172 13.4172 14.0941 14.0941 14.5086 14.5086 15.9463 15.9463 18.7629 18.7629 19.8332 19.8332 k = 0.2593 0.5000 0.2593 ( 2526 PWs) bands (ev): -1.7480 -1.7480 -1.7381 -1.7381 -0.9227 -0.9227 -0.8936 -0.8936 -0.8721 -0.8721 6.1171 6.1171 7.3363 7.3363 7.5338 7.5338 7.9002 7.9002 8.0149 8.0149 8.1464 8.1464 8.4082 8.4082 8.4156 8.4156 8.5597 8.5597 8.6647 8.6647 8.9472 8.9472 9.2051 9.2051 9.3897 9.3897 9.5668 9.5668 9.9427 9.9427 10.1246 10.1246 10.2563 10.2563 13.5449 13.5449 14.2283 14.2283 14.5478 14.5478 15.9821 15.9821 18.9950 18.9950 20.0754 20.0754 k = 0.2500 0.5000 0.2500 ( 2534 PWs) bands (ev): -1.7481 -1.7481 -1.7377 -1.7377 -0.9212 -0.9212 -0.8949 -0.8949 -0.8722 -0.8722 6.1272 6.1272 7.3240 7.3240 7.5310 7.5310 7.8756 7.8756 8.0364 8.0364 8.1442 8.1442 8.3772 8.3772 8.3955 8.3955 8.5516 8.5516 8.6131 8.6131 8.9743 8.9743 9.1988 9.1988 9.3925 9.3925 9.5575 9.5575 9.9297 9.9297 10.1101 10.1101 10.1958 10.1958 13.6740 13.6740 14.3648 14.3648 14.5881 14.5881 16.0205 16.0205 19.2311 19.2311 20.3201 20.3201 k = 0.2407 0.5000 0.2407 ( 2528 PWs) bands (ev): -1.7481 -1.7481 -1.7372 -1.7372 -0.9197 -0.9197 -0.8960 -0.8960 -0.8722 -0.8722 6.1349 6.1349 7.3102 7.3102 7.5288 7.5288 7.8488 7.8488 8.0592 8.0592 8.1428 8.1428 8.3437 8.3437 8.3760 8.3760 8.5458 8.5458 8.5691 8.5691 9.0034 9.0034 9.1927 9.1927 9.3932 9.3932 9.5514 9.5514 9.9164 9.9164 10.0972 10.0972 10.1373 10.1373 13.8046 13.8046 14.5033 14.5033 14.6301 14.6301 16.0616 16.0616 19.4707 19.4707 20.5670 20.5670 k = 0.2315 0.5000 0.2315 ( 2528 PWs) bands (ev): -1.7483 -1.7483 -1.7368 -1.7368 -0.9182 -0.9182 -0.8973 -0.8973 -0.8724 -0.8724 6.1399 6.1399 7.2948 7.2948 7.5277 7.5277 7.8218 7.8218 8.0810 8.0810 8.1420 8.1420 8.3078 8.3078 8.3551 8.3551 8.5312 8.5312 8.5464 8.5464 9.0332 9.0332 9.1869 9.1869 9.3908 9.3908 9.5487 9.5487 9.9028 9.9028 10.0754 10.0754 10.0911 10.0911 13.9366 13.9366 14.6431 14.6431 14.6746 14.6746 16.1055 16.1055 19.7134 19.7134 20.8162 20.8162 k = 0.2222 0.5000 0.2222 ( 2528 PWs) bands (ev): -1.7485 -1.7485 -1.7364 -1.7364 -0.9167 -0.9167 -0.8986 -0.8986 -0.8726 -0.8726 6.1420 6.1420 7.2776 7.2776 7.5281 7.5281 7.7954 7.7954 8.1002 8.1002 8.1418 8.1418 8.2704 8.2704 8.3321 8.3321 8.5088 8.5088 8.5453 8.5453 9.0626 9.0626 9.1817 9.1817 9.3854 9.3854 9.5495 9.5495 9.8889 9.8889 10.0220 10.0220 10.0801 10.0801 14.0698 14.0698 14.7189 14.7189 14.7871 14.7871 16.1524 16.1524 19.9587 19.9587 21.0674 21.0674 k = 0.2130 0.5000 0.2130 ( 2524 PWs) bands (ev): -1.7487 -1.7487 -1.7360 -1.7360 -0.9153 -0.9153 -0.8998 -0.8998 -0.8728 -0.8728 6.1413 6.1413 7.2584 7.2584 7.5304 7.5304 7.7707 7.7707 8.1133 8.1133 8.1418 8.1418 8.2350 8.2350 8.3084 8.3084 8.4958 8.4958 8.5478 8.5478 9.0902 9.0902 9.1779 9.1779 9.3770 9.3770 9.5533 9.5533 9.8747 9.8747 9.9680 9.9680 10.0735 10.0735 14.2042 14.2042 14.7675 14.7675 14.9310 14.9310 16.2024 16.2024 20.2058 20.2058 21.3198 21.3198 k = 0.2037 0.5000 0.2037 ( 2528 PWs) bands (ev): -1.7490 -1.7490 -1.7357 -1.7357 -0.9140 -0.9140 -0.9011 -0.9011 -0.8731 -0.8731 6.1379 6.1379 7.2373 7.2373 7.5347 7.5347 7.7478 7.7478 8.1140 8.1140 8.1379 8.1379 8.2120 8.2120 8.2856 8.2856 8.4907 8.4907 8.5526 8.5526 9.1135 9.1135 9.1771 9.1771 9.3663 9.3663 9.5592 9.5592 9.8598 9.8598 9.9159 9.9159 10.0695 10.0695 14.3395 14.3395 14.8186 14.8186 15.0767 15.0767 16.2556 16.2556 20.4525 20.4525 21.4031 21.4031 k = 0.1944 0.5000 0.1944 ( 2524 PWs) bands (ev): -1.7493 -1.7493 -1.7354 -1.7354 -0.9127 -0.9127 -0.9024 -0.9024 -0.8734 -0.8734 6.1318 6.1318 7.2143 7.2143 7.5411 7.5411 7.7272 7.7272 8.0933 8.0933 8.1298 8.1298 8.2113 8.2113 8.2657 8.2657 8.4915 8.4915 8.5597 8.5597 9.1284 9.1284 9.1833 9.1833 9.3540 9.3540 9.5664 9.5664 9.8417 9.8417 9.8686 9.8686 10.0680 10.0680 14.4756 14.4756 14.8728 14.8728 15.2238 15.2238 16.3122 16.3122 20.6899 20.6899 21.1848 21.1848 k = 0.1852 0.5000 0.1852 ( 2520 PWs) bands (ev): -1.7497 -1.7497 -1.7350 -1.7350 -0.9115 -0.9115 -0.9037 -0.9037 -0.8737 -0.8737 6.1234 6.1234 7.1896 7.1896 7.5496 7.5496 7.7091 7.7091 8.0563 8.0563 8.1218 8.1218 8.2227 8.2227 8.2509 8.2509 8.4966 8.4966 8.5689 8.5689 9.1329 9.1329 9.1977 9.1977 9.3405 9.3405 9.5738 9.5738 9.8065 9.8065 9.8401 9.8401 10.0692 10.0692 14.6122 14.6122 14.9304 14.9304 15.3723 15.3723 16.3723 16.3723 20.8168 20.8168 21.0800 21.0800 k = 0.1759 0.5000 0.1759 ( 2518 PWs) bands (ev): -1.7501 -1.7501 -1.7348 -1.7348 -0.9103 -0.9103 -0.9050 -0.9050 -0.8741 -0.8741 6.1129 6.1129 7.1632 7.1632 7.5597 7.5597 7.6936 7.6936 8.0146 8.0146 8.1115 8.1115 8.2313 8.2313 8.2477 8.2477 8.5049 8.5049 8.5799 8.5799 9.1312 9.1312 9.2156 9.2156 9.3265 9.3265 9.5806 9.5806 9.7604 9.7604 9.8247 9.8247 10.0732 10.0732 14.7488 14.7488 14.9922 14.9922 15.5219 15.5219 16.4361 16.4361 20.6543 20.6543 21.2688 21.2688 k = 0.1667 0.5000 0.1667 ( 2514 PWs) bands (ev): -1.7505 -1.7505 -1.7345 -1.7345 -0.9093 -0.9093 -0.9063 -0.9063 -0.8744 -0.8744 6.1006 6.1006 7.1357 7.1357 7.5710 7.5710 7.6811 7.6811 7.9725 7.9725 8.0985 8.0985 8.2288 8.2288 8.2613 8.2613 8.5157 8.5157 8.5926 8.5926 9.1271 9.1271 9.2328 9.2328 9.3129 9.3129 9.5856 9.5856 9.7145 9.7145 9.8119 9.8119 10.0801 10.0801 14.8841 14.8841 15.0592 15.0592 15.6725 15.6725 16.5036 16.5036 20.4370 20.4370 21.5135 21.5135 k = 0.1574 0.5000 0.1574 ( 2518 PWs) bands (ev): -1.7510 -1.7510 -1.7343 -1.7343 -0.9085 -0.9085 -0.9074 -0.9074 -0.8748 -0.8748 6.0868 6.0868 7.1072 7.1072 7.5826 7.5826 7.6718 7.6718 7.9315 7.9315 8.0833 8.0833 8.2270 8.2270 8.2780 8.2780 8.5284 8.5284 8.6067 8.6067 9.1220 9.1220 9.2460 9.2460 9.3013 9.3013 9.5876 9.5876 9.6705 9.6705 9.8007 9.8007 10.0900 10.0900 15.0154 15.0154 15.1344 15.1344 15.8238 15.8238 16.5750 16.5750 20.2152 20.2152 21.5090 21.5090 k = 0.1481 0.5000 0.1481 ( 2522 PWs) bands (ev): -1.7516 -1.7516 -1.7341 -1.7341 -0.9092 -0.9092 -0.9071 -0.9071 -0.8752 -0.8752 6.0720 6.0720 7.0781 7.0781 7.5930 7.5930 7.6667 7.6667 7.8923 7.8923 8.0671 8.0671 8.2276 8.2276 8.2948 8.2948 8.5426 8.5426 8.6221 8.6221 9.1163 9.1163 9.2511 9.2511 9.2957 9.2957 9.5842 9.5842 9.6306 9.6306 9.7913 9.7913 10.1026 10.1026 15.1344 15.1344 15.2261 15.2261 15.9757 15.9757 16.6504 16.6504 19.9945 19.9945 21.3288 21.3288 k = 0.1389 0.5000 0.1389 ( 2526 PWs) bands (ev): -1.7521 -1.7521 -1.7339 -1.7339 -0.9104 -0.9104 -0.9063 -0.9063 -0.8756 -0.8756 6.0565 6.0565 7.0490 7.0490 7.6003 7.6003 7.6671 7.6671 7.8553 7.8553 8.0508 8.0508 8.2300 8.2300 8.3112 8.3112 8.5579 8.5579 8.6385 8.6385 9.1102 9.1102 9.2455 9.2455 9.2986 9.2986 9.5673 9.5673 9.6025 9.6025 9.7838 9.7838 10.1177 10.1177 15.2331 15.2331 15.3419 15.3419 16.1278 16.1278 16.7299 16.7299 19.7763 19.7763 21.1490 21.1490 k = 0.1296 0.5000 0.1296 ( 2526 PWs) bands (ev): -1.7527 -1.7527 -1.7337 -1.7337 -0.9116 -0.9116 -0.9055 -0.9055 -0.8760 -0.8760 6.0405 6.0405 7.0200 7.0200 7.6034 7.6034 7.6735 7.6735 7.8208 7.8208 8.0351 8.0351 8.2338 8.2338 8.3271 8.3271 8.5743 8.5743 8.6557 8.6557 9.1037 9.1037 9.2343 9.2343 9.3056 9.3056 9.5349 9.5349 9.5885 9.5885 9.7783 9.7783 10.1349 10.1349 15.3214 15.3214 15.4722 15.4722 16.2798 16.2798 16.8135 16.8135 19.5613 19.5613 20.9719 20.9719 k = 0.1204 0.5000 0.1204 ( 2526 PWs) bands (ev): -1.7532 -1.7532 -1.7336 -1.7336 -0.9128 -0.9128 -0.9047 -0.9047 -0.8764 -0.8764 6.0245 6.0245 6.9916 6.9916 7.6031 7.6031 7.6843 7.6843 7.7889 7.7889 8.0205 8.0205 8.2383 8.2383 8.3424 8.3424 8.5912 8.5912 8.6734 8.6734 9.0966 9.0966 9.2216 9.2216 9.3128 9.3128 9.4992 9.4992 9.5764 9.5764 9.7747 9.7747 10.1539 10.1539 15.4086 15.4086 15.6070 15.6070 16.4311 16.4311 16.9015 16.9015 19.3499 19.3499 20.7979 20.7979 k = 0.1111 0.5000 0.1111 ( 2520 PWs) bands (ev): -1.7537 -1.7537 -1.7334 -1.7334 -0.9140 -0.9140 -0.9039 -0.9039 -0.8768 -0.8768 6.0086 6.0086 6.9642 6.9642 7.6009 7.6009 7.6969 7.6969 7.7604 7.7604 8.0073 8.0073 8.2434 8.2434 8.3573 8.3573 8.6085 8.6085 8.6912 8.6912 9.0886 9.0886 9.2095 9.2095 9.3190 9.3190 9.4647 9.4647 9.5625 9.5625 9.7726 9.7726 10.1739 10.1739 15.4983 15.4983 15.7427 15.7427 16.5813 16.5813 16.9939 16.9939 19.1422 19.1422 20.6277 20.6277 k = 0.1019 0.5000 0.1019 ( 2516 PWs) bands (ev): -1.7543 -1.7543 -1.7333 -1.7333 -0.9151 -0.9151 -0.9033 -0.9033 -0.8771 -0.8771 5.9932 5.9932 6.9379 6.9379 7.5980 7.5980 7.7072 7.7072 7.7372 7.7372 7.9958 7.9958 8.2487 8.2487 8.3717 8.3717 8.6260 8.6260 8.7089 8.7089 9.0795 9.0795 9.1990 9.1990 9.3237 9.3237 9.4323 9.4323 9.5465 9.5465 9.7717 9.7717 10.1946 10.1946 15.5916 15.5916 15.8777 15.8777 16.7294 16.7294 17.0908 17.0908 18.9385 18.9385 20.4617 20.4617 k = 0.0926 0.5000 0.0926 ( 2524 PWs) bands (ev): -1.7548 -1.7548 -1.7332 -1.7332 -0.9162 -0.9162 -0.9027 -0.9027 -0.8774 -0.8774 5.9785 5.9785 6.9131 6.9131 7.5947 7.5947 7.7009 7.7009 7.7328 7.7328 7.9863 7.9863 8.2540 8.2540 8.3857 8.3857 8.6433 8.6433 8.7260 8.7260 9.0689 9.0689 9.1908 9.1908 9.3269 9.3269 9.4024 9.4024 9.5286 9.5286 9.7715 9.7715 10.2152 10.2152 15.6888 15.6888 16.0110 16.0110 16.8744 16.8744 17.1924 17.1924 18.7390 18.7390 20.3009 20.3009 k = 0.0833 0.5000 0.0833 ( 2524 PWs) bands (ev): -1.7553 -1.7553 -1.7331 -1.7331 -0.9172 -0.9172 -0.9022 -0.9022 -0.8778 -0.8778 5.9647 5.9647 6.8900 6.8900 7.5912 7.5912 7.6824 7.6824 7.7422 7.7422 7.9788 7.9788 8.2593 8.2593 8.3992 8.3992 8.6604 8.6604 8.7423 8.7423 9.0568 9.0568 9.1854 9.1854 9.3286 9.3286 9.3756 9.3756 9.5093 9.5093 9.7720 9.7720 10.2354 10.2354 15.7903 15.7903 16.1414 16.1414 17.0149 17.0149 17.2987 17.2987 18.5440 18.5440 20.1460 20.1460 k = 0.0741 0.5000 0.0741 ( 2528 PWs) bands (ev): -1.7558 -1.7558 -1.7330 -1.7330 -0.9181 -0.9181 -0.9018 -0.9018 -0.8780 -0.8780 5.9519 5.9519 6.8689 6.8689 7.5876 7.5876 7.6646 7.6646 7.7522 7.7522 7.9736 7.9736 8.2642 8.2642 8.4122 8.4122 8.6769 8.6769 8.7571 8.7571 9.0435 9.0435 9.1831 9.1831 9.3278 9.3278 9.3531 9.3531 9.4890 9.4890 9.7727 9.7727 10.2548 10.2548 15.8961 15.8961 16.2679 16.2679 17.1495 17.1495 17.4095 17.4095 18.3536 18.3536 19.9984 19.9984 k = 0.0648 0.5000 0.0648 ( 2528 PWs) bands (ev): -1.7562 -1.7562 -1.7330 -1.7330 -0.9189 -0.9189 -0.9014 -0.9014 -0.8783 -0.8783 5.9403 5.9403 6.8498 6.8498 7.5837 7.5837 7.6494 7.6494 7.7607 7.7607 7.9704 7.9704 8.2687 8.2687 8.4247 8.4247 8.6929 8.6929 8.7702 8.7702 9.0295 9.0295 9.1839 9.1839 9.3196 9.3196 9.3400 9.3400 9.4680 9.4680 9.7737 9.7737 10.2727 10.2727 16.0059 16.0059 16.3892 16.3892 17.2764 17.2764 17.5239 17.5239 18.1681 18.1681 19.8594 19.8594 k = 0.0556 0.5000 0.0556 ( 2538 PWs) bands (ev): -1.7567 -1.7567 -1.7329 -1.7329 -0.9197 -0.9197 -0.9011 -0.9011 -0.8786 -0.8786 5.9300 5.9300 6.8330 6.8330 7.5795 7.5795 7.6368 7.6368 7.7674 7.7674 7.9690 7.9690 8.2728 8.2728 8.4363 8.4363 8.7082 8.7082 8.7809 8.7809 9.0156 9.0156 9.1874 9.1874 9.3042 9.3042 9.3364 9.3364 9.4468 9.4468 9.7747 9.7747 10.2889 10.2889 16.1195 16.1195 16.5038 16.5038 17.3941 17.3941 17.6401 17.6401 17.9879 17.9879 19.7309 19.7309 k = 0.0463 0.5000 0.0463 ( 2538 PWs) bands (ev): -1.7570 -1.7570 -1.7329 -1.7329 -0.9203 -0.9203 -0.9008 -0.9008 -0.8787 -0.8787 5.9211 5.9211 6.8185 6.8185 7.5749 7.5749 7.6273 7.6273 7.7724 7.7724 7.9691 7.9691 8.2763 8.2763 8.4471 8.4471 8.7226 8.7226 8.7889 8.7889 9.0024 9.0024 9.1933 9.1933 9.2892 9.2892 9.3350 9.3350 9.4259 9.4259 9.7758 9.7758 10.3031 10.3031 16.2362 16.2362 16.6100 16.6100 17.5009 17.5009 17.7545 17.7545 17.8142 17.8142 19.6152 19.6152 k = 0.0370 0.5000 0.0370 ( 2534 PWs) bands (ev): -1.7573 -1.7573 -1.7328 -1.7328 -0.9208 -0.9208 -0.9005 -0.9005 -0.8789 -0.8789 5.9138 5.9138 6.8066 6.8066 7.5703 7.5703 7.6205 7.6205 7.7758 7.7758 7.9701 7.9701 8.2792 8.2792 8.4565 8.4565 8.7362 8.7362 8.7938 8.7938 8.9909 8.9909 9.2010 9.2010 9.2767 9.2767 9.3341 9.3341 9.4058 9.4058 9.7767 9.7767 10.3151 10.3151 16.3545 16.3545 16.7063 16.7063 17.5876 17.5876 17.6529 17.6529 17.8643 17.8643 19.5151 19.5151 k = 0.0278 0.5000 0.0278 ( 2540 PWs) bands (ev): -1.7575 -1.7575 -1.7328 -1.7328 -0.9213 -0.9213 -0.9004 -0.9004 -0.8790 -0.8790 5.9080 5.9080 6.7972 6.7972 7.5661 7.5661 7.6158 7.6158 7.7779 7.7779 7.9715 7.9715 8.2815 8.2815 8.4643 8.4643 8.7487 8.7487 8.7955 8.7955 8.9815 8.9815 9.2094 9.2094 9.2671 9.2671 9.3333 9.3333 9.3874 9.3874 9.7776 9.7776 10.3245 10.3245 16.4711 16.4711 16.7920 16.7920 17.4776 17.4776 17.6812 17.6812 17.9614 17.9614 19.4336 19.4336 k = 0.0185 0.5000 0.0185 ( 2540 PWs) bands (ev): -1.7577 -1.7577 -1.7328 -1.7328 -0.9216 -0.9216 -0.9003 -0.9003 -0.8791 -0.8791 5.9038 5.9038 6.7905 6.7905 7.5628 7.5628 7.6128 7.6128 7.7793 7.7793 7.9729 7.9729 8.2831 8.2831 8.4702 8.4702 8.7600 8.7600 8.7942 8.7942 8.9746 8.9746 9.2172 9.2172 9.2608 9.2608 9.3327 9.3327 9.3718 9.3718 9.7782 9.7782 10.3314 10.3314 16.5783 16.5783 16.8701 16.8701 17.3255 17.3255 17.7415 17.7415 18.0396 18.0396 19.3736 19.3736 k = 0.0093 0.5000 0.0093 ( 2560 PWs) bands (ev): -1.7579 -1.7579 -1.7329 -1.7329 -0.9219 -0.9219 -0.9003 -0.9003 -0.8793 -0.8793 5.9013 5.9013 6.7863 6.7863 7.5605 7.5605 7.6111 7.6111 7.7798 7.7798 7.9737 7.9737 8.2840 8.2840 8.4738 8.4738 8.7693 8.7693 8.7906 8.7906 8.9704 8.9704 9.2227 9.2227 9.2577 9.2577 9.3322 9.3322 9.3610 9.3610 9.7785 9.7785 10.3354 10.3354 16.6592 16.6592 16.9509 16.9509 17.1846 17.1846 17.7804 17.7804 18.0912 18.0912 19.3372 19.3372 k = 0.0000 0.5000-0.0000 ( 2560 PWs) bands (ev): -1.7579 -1.7579 -1.7329 -1.7329 -0.9220 -0.9220 -0.9003 -0.9003 -0.8793 -0.8793 5.9004 5.9004 6.7850 6.7850 7.5597 7.5597 7.6106 7.6106 7.7800 7.7800 7.9740 7.9740 8.2844 8.2844 8.4750 8.4750 8.7740 8.7740 8.7879 8.7879 8.9691 8.9691 9.2247 9.2247 9.2569 9.2569 9.3321 9.3321 9.3570 9.3570 9.7787 9.7787 10.3368 10.3368 16.6900 16.6900 17.0291 17.0291 17.0828 17.0828 17.7938 17.7938 18.1093 18.1093 19.3251 19.3251 k = 0.5000 0.5000-0.0000 ( 2496 PWs) bands (ev): -1.7411 -1.7411 -1.7353 -1.7353 -0.9160 -0.9160 -0.8960 -0.8960 -0.8544 -0.8544 6.5436 6.5436 7.5910 7.5910 7.5981 7.5981 7.7047 7.7047 7.9577 7.9577 8.1040 8.1040 8.1976 8.1976 8.3343 8.3343 8.6758 8.6758 8.8009 8.8009 8.9646 8.9646 9.0307 9.0307 9.0307 9.0307 9.3273 9.3273 9.4521 9.4521 10.4840 10.4840 11.0601 11.0601 11.9064 11.9064 11.9167 11.9167 19.1597 19.1597 19.2469 19.2469 20.6201 20.6201 20.6488 20.6488 k = 0.5000 0.5000 0.0132 ( 2520 PWs) bands (ev): -1.7412 -1.7412 -1.7355 -1.7355 -0.9162 -0.9162 -0.8961 -0.8961 -0.8546 -0.8546 6.5407 6.5407 7.5926 7.5926 7.5980 7.5980 7.7066 7.7066 7.9567 7.9567 8.1048 8.1048 8.1944 8.1944 8.3383 8.3383 8.6753 8.6753 8.7997 8.7997 8.9600 8.9600 9.0334 9.0334 9.0348 9.0348 9.3274 9.3274 9.4541 9.4541 10.4843 10.4843 11.0620 11.0620 11.9059 11.9059 11.9162 11.9162 18.9725 18.9725 19.4346 19.4346 20.5311 20.5311 20.5476 20.5476 k = 0.5000 0.5000 0.0263 ( 2520 PWs) bands (ev): -1.7413 -1.7413 -1.7355 -1.7355 -0.9164 -0.9164 -0.8960 -0.8960 -0.8548 -0.8548 6.5321 6.5321 7.5974 7.5974 7.5983 7.5983 7.7128 7.7128 7.9540 7.9540 8.1074 8.1074 8.1860 8.1860 8.3494 8.3494 8.6743 8.6743 8.7966 8.7966 8.9488 8.9488 9.0415 9.0415 9.0456 9.0456 9.3281 9.3281 9.4603 9.4603 10.4854 10.4854 11.0678 11.0678 11.9048 11.9048 11.9149 11.9149 18.7495 18.7495 19.6568 19.6568 20.3498 20.3498 20.3632 20.3632 k = 0.5000 0.5000 0.0395 ( 2520 PWs) bands (ev): -1.7413 -1.7413 -1.7357 -1.7357 -0.9167 -0.9167 -0.8959 -0.8959 -0.8550 -0.8550 6.5182 6.5182 7.5987 7.5987 7.6040 7.6040 7.7239 7.7239 7.9494 7.9494 8.1117 8.1117 8.1748 8.1748 8.3652 8.3652 8.6729 8.6729 8.7923 8.7923 8.9339 8.9339 9.0541 9.0541 9.0598 9.0598 9.3292 9.3292 9.4703 9.4703 10.4872 10.4872 11.0774 11.0774 11.9029 11.9029 11.9127 11.9127 18.5272 18.5272 19.8559 19.8559 20.1445 20.1445 20.1887 20.1887 k = 0.5000 0.5000 0.0526 ( 2520 PWs) bands (ev): -1.7414 -1.7414 -1.7359 -1.7359 -0.9171 -0.9171 -0.8957 -0.8957 -0.8553 -0.8553 6.4996 6.4996 7.5991 7.5991 7.6106 7.6106 7.7411 7.7411 7.9424 7.9424 8.1179 8.1179 8.1632 8.1632 8.3838 8.3838 8.6710 8.6710 8.7877 8.7877 8.9169 8.9169 9.0704 9.0704 9.0762 9.0762 9.3309 9.3309 9.4838 9.4838 10.4897 10.4897 11.0907 11.0907 11.9002 11.9002 11.9097 11.9097 18.3068 18.3068 19.8599 19.8599 19.9329 19.9329 20.2086 20.2086 k = 0.5000 0.5000 0.0658 ( 2520 PWs) bands (ev): -1.7415 -1.7415 -1.7361 -1.7361 -0.9176 -0.9176 -0.8955 -0.8955 -0.8558 -0.8558 6.4769 6.4769 7.5995 7.5995 7.6160 7.6160 7.7645 7.7645 7.9331 7.9331 8.1261 8.1261 8.1524 8.1524 8.4037 8.4037 8.6691 8.6691 8.7838 8.7838 8.8988 8.8988 9.0895 9.0895 9.0941 9.0941 9.3332 9.3332 9.5002 9.5002 10.4930 10.4930 11.1079 11.1079 11.8967 11.8967 11.9057 11.9057 18.0887 18.0887 19.6798 19.6798 19.7205 19.7205 20.4155 20.4155 k = 0.5000 0.5000 0.0789 ( 2520 PWs) bands (ev): -1.7417 -1.7417 -1.7364 -1.7364 -0.9182 -0.9182 -0.8952 -0.8952 -0.8563 -0.8563 6.4510 6.4510 7.5999 7.5999 7.6195 7.6195 7.7939 7.7939 7.9211 7.9211 8.1364 8.1364 8.1435 8.1435 8.4243 8.4243 8.6673 8.6673 8.7812 8.7812 8.8800 8.8800 9.1106 9.1106 9.1134 9.1134 9.3363 9.3363 9.5192 9.5192 10.4971 10.4971 11.1288 11.1288 11.8924 11.8924 11.9009 11.9009 17.8730 17.8730 19.4779 19.4779 19.5092 19.5092 20.4915 20.4915 k = 0.5000 0.5000 0.0921 ( 2528 PWs) bands (ev): -1.7419 -1.7419 -1.7368 -1.7368 -0.9190 -0.9190 -0.8949 -0.8949 -0.8569 -0.8569 6.4224 6.4224 7.6000 7.6000 7.6210 7.6210 7.8280 7.8280 7.9067 7.9067 8.1367 8.1367 8.1492 8.1492 8.4450 8.4450 8.6659 8.6659 8.7805 8.7805 8.8609 8.8609 9.1328 9.1328 9.1339 9.1339 9.3402 9.3402 9.5400 9.5400 10.5020 10.5020 11.1533 11.1533 11.8872 11.8872 11.8950 11.8950 17.6598 17.6598 19.2738 19.2738 19.3002 19.3002 20.2696 20.2696 k = 0.5000 0.5000 0.1053 ( 2528 PWs) bands (ev): -1.7421 -1.7421 -1.7372 -1.7372 -0.9199 -0.9199 -0.8946 -0.8946 -0.8575 -0.8575 6.3918 6.3918 7.5999 7.5999 7.6209 7.6209 7.8656 7.8656 7.8899 7.8899 8.1321 8.1321 8.1648 8.1648 8.4656 8.4656 8.6649 8.6649 8.7822 8.7822 8.8420 8.8420 9.1555 9.1555 9.1556 9.1556 9.3456 9.3456 9.5627 9.5627 10.5078 10.5078 11.1815 11.1815 11.8811 11.8811 11.8881 11.8881 17.4494 17.4494 19.0713 19.0713 19.0941 19.0941 20.0499 20.0499 k = 0.5000 0.5000 0.1184 ( 2520 PWs) bands (ev): -1.7423 -1.7423 -1.7376 -1.7376 -0.9208 -0.9208 -0.8941 -0.8941 -0.8582 -0.8582 6.3597 6.3597 7.5994 7.5994 7.6194 7.6194 7.8714 7.8714 7.9049 7.9049 8.1294 8.1294 8.1837 8.1837 8.4863 8.4863 8.6646 8.6646 8.7866 8.7866 8.8239 8.8239 9.1782 9.1782 9.1783 9.1783 9.3526 9.3526 9.5867 9.5867 10.5145 10.5145 11.2133 11.2133 11.8741 11.8741 11.8802 11.8802 17.2417 17.2417 18.8716 18.8716 18.8913 18.8913 19.8326 19.8326 k = 0.5000 0.5000 0.1316 ( 2520 PWs) bands (ev): -1.7426 -1.7426 -1.7380 -1.7380 -0.9218 -0.9218 -0.8937 -0.8937 -0.8590 -0.8590 6.3267 6.3267 7.5984 7.5984 7.6166 7.6166 7.8513 7.8513 7.9445 7.9445 8.1282 8.1282 8.2064 8.2064 8.5069 8.5069 8.6646 8.6646 8.7936 8.7936 8.8072 8.8072 9.1998 9.1998 9.2019 9.2019 9.3618 9.3618 9.6116 9.6116 10.5221 10.5221 11.2486 11.2486 11.8661 11.8661 11.8711 11.8711 17.0369 17.0369 18.6754 18.6754 18.6921 18.6921 19.6177 19.6177 k = 0.5000 0.5000 0.1447 ( 2520 PWs) bands (ev): -1.7429 -1.7429 -1.7386 -1.7386 -0.9229 -0.9229 -0.8931 -0.8931 -0.8598 -0.8598 6.2931 6.2931 7.5969 7.5969 7.6126 7.6126 7.8303 7.8303 7.9827 7.9827 8.1282 8.1282 8.2338 8.2338 8.5278 8.5278 8.6647 8.6647 8.7929 8.7929 8.8033 8.8033 9.2195 9.2195 9.2263 9.2263 9.3737 9.3737 9.6371 9.6371 10.5307 10.5307 11.2874 11.2874 11.8571 11.8571 11.8609 11.8609 16.8350 16.8350 18.4829 18.4829 18.4968 18.4968 19.4055 19.4055 k = 0.5000 0.5000 0.1579 ( 2524 PWs) bands (ev): -1.7432 -1.7432 -1.7391 -1.7391 -0.9242 -0.9242 -0.8926 -0.8926 -0.8607 -0.8607 6.2593 6.2593 7.5948 7.5948 7.6077 7.6077 7.8084 7.8084 8.0180 8.0180 8.1289 8.1289 8.2663 8.2663 8.5493 8.5493 8.6641 8.6641 8.7820 8.7820 8.8153 8.8153 9.2368 9.2368 9.2516 9.2516 9.3890 9.3890 9.6631 9.6631 10.5403 10.5403 11.3294 11.3294 11.8471 11.8471 11.8494 11.8494 16.6361 16.6361 18.2946 18.2946 18.3057 18.3057 19.1961 19.1961 k = 0.5000 0.5000 0.1711 ( 2524 PWs) bands (ev): -1.7435 -1.7435 -1.7397 -1.7397 -0.9254 -0.9254 -0.8920 -0.8920 -0.8616 -0.8616 6.2256 6.2256 7.5920 7.5920 7.6018 7.6018 7.7863 7.7863 8.0494 8.0494 8.1301 8.1301 8.3040 8.3040 8.5717 8.5717 8.6619 8.6619 8.7761 8.7761 8.8295 8.8295 9.2513 9.2513 9.2776 9.2776 9.4079 9.4079 9.6894 9.6894 10.5511 10.5511 11.3746 11.3746 11.8360 11.8360 11.8365 11.8365 16.4402 16.4402 18.1108 18.1108 18.1190 18.1190 18.9896 18.9896 k = 0.5000 0.5000 0.1842 ( 2520 PWs) bands (ev): -1.7439 -1.7439 -1.7403 -1.7403 -0.9268 -0.9268 -0.8913 -0.8913 -0.8625 -0.8625 6.1922 6.1922 7.5886 7.5886 7.5952 7.5952 7.7640 7.7640 8.0766 8.0766 8.1317 8.1317 8.3466 8.3466 8.5953 8.5953 8.6577 8.6577 8.7762 8.7762 8.8454 8.8454 9.2629 9.2629 9.3043 9.3043 9.4302 9.4302 9.7159 9.7159 10.5632 10.5632 11.4229 11.4229 11.8223 11.8223 11.8237 11.8237 16.2475 16.2475 17.9316 17.9316 17.9369 17.9369 18.7861 18.7861 k = 0.5000 0.5000 0.1974 ( 2512 PWs) bands (ev): -1.7442 -1.7442 -1.7409 -1.7409 -0.9282 -0.9282 -0.8906 -0.8906 -0.8634 -0.8634 6.1594 6.1594 7.5846 7.5846 7.5879 7.5879 7.7419 7.7419 8.0995 8.0995 8.1333 8.1333 8.3927 8.3927 8.6203 8.6203 8.6518 8.6518 8.7826 8.7826 8.8627 8.8627 9.2723 9.2723 9.3316 9.3316 9.4555 9.4555 9.7423 9.7423 10.5765 10.5765 11.4741 11.4741 11.8066 11.8066 11.8104 11.8104 16.0581 16.0581 17.7574 17.7574 17.7597 17.7597 18.5858 18.5858 k = 0.5000 0.5000 0.2105 ( 2520 PWs) bands (ev): -1.7446 -1.7446 -1.7416 -1.7416 -0.9297 -0.9297 -0.8900 -0.8900 -0.8644 -0.8644 6.1271 6.1271 7.5799 7.5799 7.5799 7.5799 7.7199 7.7199 8.1185 8.1185 8.1349 8.1349 8.4403 8.4403 8.6459 8.6459 8.6467 8.6467 8.7947 8.7947 8.8811 8.8811 9.2796 9.2796 9.3595 9.3595 9.4831 9.4831 9.7685 9.7685 10.5912 10.5912 11.5277 11.5277 11.7894 11.7894 11.7961 11.7961 15.8720 15.8720 17.5875 17.5875 17.5884 17.5884 18.3888 18.3888 k = 0.5000 0.5000 0.2237 ( 2520 PWs) bands (ev): -1.7451 -1.7451 -1.7423 -1.7423 -0.9312 -0.9312 -0.8893 -0.8893 -0.8653 -0.8653 6.0958 6.0958 7.5715 7.5715 7.5746 7.5746 7.6984 7.6984 8.1341 8.1341 8.1364 8.1364 8.4862 8.4862 8.6433 8.6433 8.6746 8.6746 8.8116 8.8116 8.9002 8.9002 9.2855 9.2855 9.3880 9.3880 9.5128 9.5128 9.7945 9.7945 10.6075 10.6075 11.5833 11.5833 11.7705 11.7705 11.7812 11.7812 15.6894 15.6894 17.4207 17.4207 17.4248 17.4248 18.1953 18.1953 k = 0.5000 0.5000 0.2368 ( 2520 PWs) bands (ev): -1.7455 -1.7455 -1.7429 -1.7429 -0.9328 -0.9328 -0.8885 -0.8885 -0.8663 -0.8663 6.0654 6.0654 7.5628 7.5628 7.5687 7.5687 7.6775 7.6775 8.1378 8.1378 8.1468 8.1468 8.5238 8.5238 8.6501 8.6501 8.7039 8.7039 8.8325 8.8325 8.9199 8.9199 9.2904 9.2904 9.4173 9.4173 9.5440 9.5440 9.8202 9.8202 10.6254 10.6254 11.6389 11.6389 11.7500 11.7500 11.7675 11.7675 15.5103 15.5103 17.2594 17.2594 17.2669 17.2669 18.0054 18.0054 k = 0.5000 0.5000 0.2500 ( 2504 PWs) bands (ev): -1.7458 -1.7458 -1.7436 -1.7436 -0.9342 -0.9342 -0.8877 -0.8877 -0.8671 -0.8671 6.0360 6.0360 7.5538 7.5538 7.5624 7.5624 7.6573 7.6573 8.1391 8.1391 8.1569 8.1569 8.5450 8.5450 8.6743 8.6743 8.7344 8.7344 8.8569 8.8569 8.9400 8.9400 9.2947 9.2947 9.4472 9.4472 9.5766 9.5766 9.8455 9.8455 10.6450 10.6450 11.6856 11.6856 11.7277 11.7277 11.7636 11.7636 15.3349 15.3349 17.1040 17.1040 17.1148 17.1148 17.8193 17.8193 k = 0.5000 0.5000 0.2632 ( 2504 PWs) bands (ev): -1.7463 -1.7463 -1.7442 -1.7442 -0.9358 -0.9358 -0.8869 -0.8869 -0.8681 -0.8681 6.0079 6.0079 7.5447 7.5447 7.5556 7.5556 7.6378 7.6378 8.1403 8.1403 8.1646 8.1646 8.5506 8.5506 8.7147 8.7147 8.7658 8.7658 8.8840 8.8840 8.9602 8.9602 9.2983 9.2983 9.4779 9.4779 9.6102 9.6102 9.8703 9.8703 10.6665 10.6665 11.6969 11.6969 11.7036 11.7036 11.7957 11.7957 15.1634 15.1634 16.9546 16.9546 16.9690 16.9690 17.6372 17.6372 k = 0.5000 0.5000 0.2763 ( 2504 PWs) bands (ev): -1.7467 -1.7467 -1.7449 -1.7449 -0.9374 -0.9374 -0.8861 -0.8861 -0.8689 -0.8689 5.9809 5.9809 7.5355 7.5355 7.5485 7.5485 7.6192 7.6192 8.1414 8.1414 8.1703 8.1703 8.5483 8.5483 8.7630 8.7630 8.7978 8.7978 8.9133 8.9133 8.9805 8.9805 9.3014 9.3014 9.5093 9.5093 9.6448 9.6448 9.8946 9.8946 10.6899 10.6899 11.6778 11.6778 11.6823 11.6823 11.8542 11.8542 14.9959 14.9959 16.8116 16.8116 16.8295 16.8295 17.4594 17.4594 k = 0.5000 0.5000 0.2895 ( 2504 PWs) bands (ev): -1.7472 -1.7472 -1.7456 -1.7456 -0.9390 -0.9390 -0.8853 -0.8853 -0.8699 -0.8699 5.9552 5.9552 7.5263 7.5263 7.5409 7.5409 7.6015 7.6015 8.1425 8.1425 8.1742 8.1742 8.5433 8.5433 8.8137 8.8137 8.8299 8.8299 8.9444 8.9444 9.0008 9.0008 9.3042 9.3042 9.5416 9.5416 9.6804 9.6804 9.9183 9.9183 10.7154 10.7154 11.6501 11.6501 11.6604 11.6604 11.9199 11.9199 14.8326 14.8326 16.6750 16.6750 16.6966 16.6966 17.2861 17.2861 k = 0.5000 0.5000 0.3026 ( 2512 PWs) bands (ev): -1.7477 -1.7477 -1.7463 -1.7463 -0.9406 -0.9406 -0.8846 -0.8846 -0.8707 -0.8707 5.9308 5.9308 7.5172 7.5172 7.5331 7.5331 7.5849 7.5849 8.1435 8.1435 8.1764 8.1764 8.5374 8.5374 8.8618 8.8618 8.8642 8.8642 8.9768 8.9768 9.0209 9.0209 9.3067 9.3067 9.5748 9.5748 9.7168 9.7168 9.9413 9.9413 10.7431 10.7431 11.6206 11.6206 11.6354 11.6354 11.9887 11.9887 14.6738 14.6738 16.5453 16.5453 16.5706 16.5706 17.1177 17.1177 k = 0.5000 0.5000 0.3158 ( 2500 PWs) bands (ev): -1.7480 -1.7480 -1.7469 -1.7469 -0.9421 -0.9421 -0.8836 -0.8836 -0.8715 -0.8715 5.9079 5.9079 7.5084 7.5084 7.5251 7.5251 7.5695 7.5695 8.1445 8.1445 8.1774 8.1774 8.5317 8.5317 8.8929 8.8929 8.9132 8.9132 9.0102 9.0102 9.0410 9.0410 9.3090 9.3090 9.6090 9.6090 9.7541 9.7541 9.9636 9.9636 10.7730 10.7730 11.5894 11.5894 11.6083 11.6083 12.0594 12.0594 14.5197 14.5197 16.4226 16.4226 16.4517 16.4517 16.9544 16.9544 k = 0.5000 0.5000 0.3289 ( 2512 PWs) bands (ev): -1.7486 -1.7486 -1.7476 -1.7476 -0.9436 -0.9436 -0.8830 -0.8830 -0.8723 -0.8723 5.8863 5.8863 7.4998 7.4998 7.5167 7.5167 7.5554 7.5554 8.1454 8.1454 8.1772 8.1772 8.5262 8.5262 8.9227 8.9227 8.9596 8.9596 9.0439 9.0439 9.0608 9.0608 9.3110 9.3110 9.6440 9.6440 9.7921 9.7921 9.9853 9.9853 10.8050 10.8050 11.5566 11.5566 11.5792 11.5792 12.1311 12.1311 14.3706 14.3706 16.3072 16.3072 16.3401 16.3401 16.7967 16.7967 k = 0.5000 0.5000 0.3421 ( 2512 PWs) bands (ev): -1.7490 -1.7490 -1.7481 -1.7481 -0.9450 -0.9450 -0.8823 -0.8823 -0.8730 -0.8730 5.8663 5.8663 7.4916 7.4916 7.5081 7.5081 7.5427 7.5427 8.1463 8.1463 8.1761 8.1761 8.5214 8.5214 8.9508 8.9508 9.0028 9.0028 9.0779 9.0779 9.0806 9.0806 9.3129 9.3129 9.6800 9.6800 9.8308 9.8308 10.0062 10.0062 10.8391 10.8391 11.5224 11.5224 11.5486 11.5486 12.2032 12.2032 14.2270 14.2270 16.1993 16.1993 16.2360 16.2360 16.6452 16.6452 k = 0.5000 0.5000 0.3553 ( 2512 PWs) bands (ev): -1.7495 -1.7495 -1.7487 -1.7487 -0.9464 -0.9464 -0.8816 -0.8816 -0.8737 -0.8737 5.8478 5.8478 7.4838 7.4838 7.4994 7.4994 7.5316 7.5316 8.1472 8.1472 8.1743 8.1743 8.5173 8.5173 8.9768 8.9768 9.0422 9.0422 9.1002 9.1002 9.1116 9.1116 9.3146 9.3146 9.7165 9.7165 9.8699 9.8699 10.0264 10.0264 10.8751 10.8751 11.4870 11.4870 11.5168 11.5168 12.2752 12.2752 14.0894 14.0894 16.0991 16.0991 16.1396 16.1396 16.5003 16.5003 k = 0.5000 0.5000 0.3684 ( 2512 PWs) bands (ev): -1.7499 -1.7499 -1.7492 -1.7492 -0.9476 -0.9476 -0.8809 -0.8809 -0.8743 -0.8743 5.8308 5.8308 7.4765 7.4765 7.4906 7.4906 7.5218 7.5218 8.1480 8.1480 8.1720 8.1720 8.5137 8.5137 9.0003 9.0003 9.0775 9.0775 9.1195 9.1195 9.1445 9.1445 9.3162 9.3162 9.7534 9.7534 9.9093 9.9093 10.0458 10.0458 10.9127 10.9127 11.4508 11.4508 11.4840 11.4840 12.3464 12.3464 13.9582 13.9582 16.0067 16.0067 16.0511 16.0511 16.3627 16.3627 k = 0.5000 0.5000 0.3816 ( 2496 PWs) bands (ev): -1.7501 -1.7501 -1.7496 -1.7496 -0.9487 -0.9487 -0.8802 -0.8802 -0.8748 -0.8748 5.8155 5.8155 7.4699 7.4699 7.4821 7.4821 7.5135 7.5135 8.1489 8.1489 8.1694 8.1694 8.5107 8.5107 9.0213 9.0213 9.1087 9.1087 9.1383 9.1383 9.1762 9.1762 9.3178 9.3178 9.7901 9.7901 9.9487 9.9487 10.0646 10.0646 10.9514 10.9514 11.4143 11.4143 11.4507 11.4507 12.4161 12.4161 13.8341 13.8341 15.9224 15.9224 15.9707 15.9707 16.2333 16.2333 k = 0.5000 0.5000 0.3947 ( 2496 PWs) bands (ev): -1.7505 -1.7505 -1.7501 -1.7501 -0.9497 -0.9497 -0.8797 -0.8797 -0.8753 -0.8753 5.8016 5.8016 7.4637 7.4637 7.4738 7.4738 7.5063 7.5063 8.1497 8.1497 8.1667 8.1667 8.5082 8.5082 9.0396 9.0396 9.1359 9.1359 9.1563 9.1563 9.2057 9.2057 9.3191 9.3191 9.8260 9.8260 9.9874 9.9874 10.0827 10.0827 10.9905 10.9905 11.3781 11.3781 11.4173 11.4173 12.4833 12.4833 13.7180 13.7180 15.8462 15.8462 15.8984 15.8984 16.1130 16.1130 k = 0.5000 0.5000 0.4079 ( 2496 PWs) bands (ev): -1.7507 -1.7507 -1.7505 -1.7505 -0.9507 -0.9507 -0.8791 -0.8791 -0.8758 -0.8758 5.7893 5.7893 7.4582 7.4582 7.4662 7.4662 7.5001 7.5001 8.1504 8.1504 8.1640 8.1640 8.5062 8.5062 9.0552 9.0552 9.1595 9.1595 9.1731 9.1731 9.2327 9.2327 9.3203 9.3203 9.8603 9.8603 10.0250 10.0250 10.1001 10.1001 11.0289 11.0289 11.3430 11.3430 11.3845 11.3845 12.5470 12.5470 13.6107 13.6107 15.7780 15.7780 15.8343 15.8343 16.0029 16.0029 k = 0.5000 0.5000 0.4211 ( 2496 PWs) bands (ev): -1.7510 -1.7510 -1.7508 -1.7508 -0.9516 -0.9516 -0.8786 -0.8786 -0.8762 -0.8762 5.7787 5.7787 7.4533 7.4533 7.4594 7.4594 7.4949 7.4949 8.1510 8.1510 8.1614 8.1614 8.5046 8.5046 9.0684 9.0684 9.1796 9.1796 9.1884 9.1884 9.2567 9.2567 9.3214 9.3214 9.8920 9.8920 10.0607 10.0607 10.1170 10.1170 11.0655 11.0655 11.3103 11.3103 11.3530 11.3530 12.6062 12.6062 13.5134 13.5134 15.7179 15.7179 15.7787 15.7787 15.9043 15.9043 k = 0.5000 0.5000 0.4342 ( 2500 PWs) bands (ev): -1.7513 -1.7513 -1.7512 -1.7512 -0.9524 -0.9524 -0.8782 -0.8782 -0.8766 -0.8766 5.7696 5.7696 7.4491 7.4491 7.4534 7.4534 7.4904 7.4904 8.1516 8.1516 8.1589 8.1589 8.5033 8.5033 9.0794 9.0794 9.1964 9.1964 9.2018 9.2018 9.2772 9.2772 9.3223 9.3223 9.9202 9.9202 10.0936 10.0936 10.1330 10.1330 11.0982 11.0982 11.2814 11.2814 11.3238 11.3238 12.6595 12.6595 13.4275 13.4275 15.6658 15.6658 15.7315 15.7315 15.8188 15.8188 k = 0.5000 0.5000 0.4474 ( 2504 PWs) bands (ev): -1.7515 -1.7515 -1.7515 -1.7515 -0.9530 -0.9530 -0.8779 -0.8779 -0.8768 -0.8768 5.7622 5.7622 7.4456 7.4456 7.4484 7.4484 7.4868 7.4868 8.1520 8.1520 8.1568 8.1568 8.5023 8.5023 9.0882 9.0882 9.2099 9.2099 9.2131 9.2131 9.2942 9.2942 9.3231 9.3231 9.9442 9.9442 10.1227 10.1227 10.1479 10.1479 11.1245 11.1245 11.2588 11.2588 11.2977 11.2977 12.7056 12.7056 13.3542 13.3542 15.6216 15.6216 15.6928 15.6928 15.7477 15.7477 k = 0.5000 0.5000 0.4605 ( 2512 PWs) bands (ev): -1.7517 -1.7517 -1.7517 -1.7517 -0.9535 -0.9535 -0.8777 -0.8777 -0.8771 -0.8771 5.7564 5.7564 7.4429 7.4429 7.4445 7.4445 7.4840 7.4840 8.1524 8.1524 8.1551 8.1551 8.5016 8.5016 9.0948 9.0948 9.2204 9.2204 9.2220 9.2220 9.3075 9.3075 9.3238 9.3238 9.9631 9.9631 10.1469 10.1469 10.1610 10.1610 11.1412 11.1412 11.2454 11.2454 11.2758 11.2758 12.7433 12.7433 13.2950 13.2950 15.5852 15.5852 15.6626 15.6626 15.6926 15.6926 k = 0.5000 0.5000 0.4737 ( 2512 PWs) bands (ev): -1.7518 -1.7518 -1.7518 -1.7518 -0.9539 -0.9539 -0.8775 -0.8775 -0.8772 -0.8772 5.7523 5.7523 7.4410 7.4410 7.4417 7.4417 7.4821 7.4821 8.1527 8.1527 8.1539 8.1539 8.5011 8.5011 9.0996 9.0996 9.2278 9.2278 9.2285 9.2285 9.3170 9.3170 9.3243 9.3243 9.9768 9.9768 10.1652 10.1652 10.1714 10.1714 11.1470 11.1470 11.2421 11.2421 11.2593 11.2593 12.7712 12.7712 13.2515 13.2515 15.5574 15.5574 15.6411 15.6411 15.6539 15.6539 k = 0.5000 0.5000 0.4868 ( 2512 PWs) bands (ev): -1.7519 -1.7519 -1.7519 -1.7519 -0.9541 -0.9541 -0.8774 -0.8774 -0.8773 -0.8773 5.7498 5.7498 7.4398 7.4398 7.4400 7.4400 7.4809 7.4809 8.1528 8.1528 8.1531 8.1531 8.5008 8.5008 9.1024 9.1024 9.2323 9.2323 9.2324 9.2324 9.3228 9.3228 9.3246 9.3246 9.9850 9.9850 10.1766 10.1766 10.1781 10.1781 11.1467 11.1467 11.2440 11.2440 11.2489 11.2489 12.7884 12.7884 13.2248 13.2248 15.5397 15.5397 15.6281 15.6281 15.6312 15.6312 k = 0.5000 0.5000 0.5000 ( 2512 PWs) bands (ev): -1.7519 -1.7519 -1.7519 -1.7519 -0.9542 -0.9542 -0.8774 -0.8774 -0.8774 -0.8774 5.7489 5.7489 7.4394 7.4394 7.4394 7.4394 7.4805 7.4805 8.1529 8.1529 8.1529 8.1529 8.5007 8.5007 9.1033 9.1033 9.2338 9.2338 9.2338 9.2338 9.3247 9.3247 9.3247 9.3247 9.9877 9.9877 10.1805 10.1805 10.1805 10.1805 11.1459 11.1459 11.2454 11.2454 11.2454 11.2454 12.7943 12.7943 13.2159 13.2159 15.5336 15.5336 15.6238 15.6238 15.6238 15.6238 Writing output data file InAg3.save init_run : 0.17s CPU 0.26s WALL ( 1 calls) electrons : 92.22s CPU 94.12s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.02s WALL ( 1 calls) Called by electrons: c_bands : 92.22s CPU 94.11s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 294 calls) cegterg : 84.40s CPU 85.89s WALL ( 364 calls) Called by sum_band: Called by *egterg: h_psi : 38.46s CPU 39.52s WALL ( 6002 calls) s_psi : 4.00s CPU 3.85s WALL ( 6002 calls) g_psi : 0.08s CPU 0.11s WALL ( 5344 calls) cdiaghg : 38.87s CPU 39.66s WALL ( 5638 calls) cegterg:over : 3.49s CPU 3.47s WALL ( 5344 calls) cegterg:upda : 2.30s CPU 2.32s WALL ( 5344 calls) cegterg:last : 1.69s CPU 1.68s WALL ( 952 calls) cdiaghg:chol : 2.06s CPU 2.15s WALL ( 5638 calls) cdiaghg:inve : 1.40s CPU 1.45s WALL ( 5638 calls) cdiaghg:para : 2.31s CPU 2.41s WALL ( 11276 calls) Called by h_psi: h_psi:vloc : 30.61s CPU 31.32s WALL ( 6002 calls) h_psi:vnl : 7.75s CPU 8.08s WALL ( 6002 calls) add_vuspsi : 4.26s CPU 4.36s WALL ( 6002 calls) General routines calbec : 3.48s CPU 3.70s WALL ( 6002 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 28.62s CPU 29.32s WALL ( 663836 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.14s CPU 0.13s WALL ( 588 calls) Parallel routines fft_scatter : 14.59s CPU 14.65s WALL ( 663859 calls) PWSCF : 1m44.38s CPU 1m54.02s WALL This run was terminated on: 18:15:46 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=