Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 7:35 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: ./ZrPt3.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 53 24 7 1805 554 93 Max 54 25 8 1810 571 96 Sum 1941 889 277 65117 20377 3407 bravais-lattice index = 14 lattice parameter (alat) = 7.5400 a.u. unit-cell volume = 428.6622 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 34.00 number of Kohn-Sham states= 42 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.540007 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 Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Zr 4.00 91.22400 Zr( 1.00) Pt 10.00 195.08400 Pt( 1.00) 48 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 180 deg rotation - cart. axis [1,0,1] cryst. s( 9) = ( 0 0 1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 10 180 deg rotation - cart. axis [-1,0,1] cryst. s(10) = ( 0 0 -1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 11 90 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 0 0 -1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 12 90 deg rotation - cart. axis [0,-1,0] cryst. s(12) = ( 0 0 1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 13 180 deg rotation - cart. axis [0,1,1] cryst. s(13) = ( -1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(13) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 14 180 deg rotation - cart. axis [0,1,-1] cryst. s(14) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(14) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 15 90 deg rotation - cart. axis [-1,0,0] cryst. s(15) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(15) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 16 90 deg rotation - cart. axis [1,0,0] cryst. s(16) = ( 1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(16) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 17 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(17) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(17) = ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 18 120 deg rotation - cart. axis [-1,1,1] cryst. s(18) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(18) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 19 120 deg rotation - cart. axis [1,1,-1] cryst. s(19) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(19) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 20 120 deg rotation - cart. axis [1,-1,1] cryst. s(20) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(20) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 21 120 deg rotation - cart. axis [1,1,1] cryst. s(21) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(21) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 22 120 deg rotation - cart. axis [-1,1,-1] cryst. s(22) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(22) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 23 120 deg rotation - cart. axis [1,-1,-1] cryst. s(23) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(23) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 120 deg rotation - cart. axis [-1,-1,1] cryst. s(24) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(24) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 25 inversion cryst. s(25) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s(25) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 26 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(26) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(26) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 27 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(27) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(27) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 28 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(28) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(28) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 29 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(29) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(29) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 30 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(30) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(30) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 31 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(31) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(31) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 32 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(32) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(32) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 33 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(33) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(33) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 34 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(34) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(34) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 35 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(35) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(35) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 36 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(36) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(36) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 37 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(37) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(37) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 38 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(38) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(38) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 39 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(39) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(39) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 40 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(40) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(40) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 41 inv. 120 deg rotation - cart. axis [-1,-1,-1] cryst. s(41) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s(41) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 42 inv. 120 deg rotation - cart. axis [-1,1,1] cryst. s(42) = ( 0 0 1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s(42) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 43 inv. 120 deg rotation - cart. axis [1,1,-1] cryst. s(43) = ( 0 0 1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s(43) = ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 44 inv. 120 deg rotation - cart. axis [1,-1,1] cryst. s(44) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s(44) = ( -0.0000000 1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 45 inv. 120 deg rotation - cart. axis [1,1,1] cryst. s(45) = ( 0 -1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(45) = ( -0.0000000 -0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 46 inv. 120 deg rotation - cart. axis [-1,1,-1] cryst. s(46) = ( 0 1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(46) = ( 0.0000000 0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 47 inv. 120 deg rotation - cart. axis [1,-1,-1] cryst. s(47) = ( 0 1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(47) = ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 48 inv. 120 deg rotation - cart. axis [-1,-1,1] cryst. s(48) = ( 0 -1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s(48) = ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group O_h (m-3m) there are 16 classes and 6 irreducible representations the character table: E -E 8C3 -8C3 3C2 6C4 -6C4 6C2' i -i 8S6 -8S6 -3C2 -6C2' G_6+ 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 2.00 -2.00 1.00 -1.00 G_7+ 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 2.00 -2.00 1.00 -1.00 G_8+ 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 4.00 -4.00 -1.00 1.00 G_6- 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 -2.00 2.00 -1.00 1.00 G_7- 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 -2.00 2.00 -1.00 1.00 G_8- 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 -4.00 4.00 1.00 -1.00 3s_h 6S4 -6S4 6s_d -3s_h -6s_d G_6+ 0.00 1.41 -1.41 0.00 G_7+ 0.00 -1.41 1.41 0.00 G_8+ 0.00 0.00 0.00 0.00 G_6- 0.00 -1.41 1.41 0.00 G_7- 0.00 1.41 -1.41 0.00 G_8- 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 17 19 20 18 24 21 22 23 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -17 -19 -20 -18 -24 -21 -22 -23 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 4 -4 3 -3 180 deg rotation - cart. axis [0,0,1] 6C4 7 8 15 16 12 11 90 deg rotation - cart. axis [0,0,-1] -6C4 -7 -8 -15 -16 -12 -11 90 deg rotation - cart. axis [0,0,-1] E 6C2'-6C2' 5 -5 6 -6 14 -13 -14 13 -10 -9 10 9 180 deg rotation - cart. axis [1,1,0] i 25 inversion -i -25 inversion E 8S6 41 43 44 42 48 45 46 47 inv. 120 deg rotation - cart. axis [-1,-1,-1] -8S6 -41 -43 -44 -42 -48 -45 -46 -47 inv. 120 deg rotation - cart. axis [-1,-1,-1] E 3s_h-3s_h 26 -26 28 -28 27 -27 inv. 180 deg rotation - cart. axis [0,0,1] 6S4 31 32 39 40 36 35 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -31 -32 -39 -40 -36 -35 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d-6s_d 29 -29 30 -30 38 -37 -38 37 -34 -33 34 33 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 307 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0032573 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0032573 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0032573 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0032573 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0032573 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0032573 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0032573 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0032573 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0032573 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0032573 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0032573 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0032573 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0032573 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0032573 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0032573 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0032573 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0032573 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0032573 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0032573 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0032573 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0032573 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0032573 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0032573 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0032573 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0032573 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0032573 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0032573 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0032573 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0032573 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0032573 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0032573 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0032573 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0032573 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0032573 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0032573 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0032573 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0032573 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0032573 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0032573 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0032573 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0032573 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0032573 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0032573 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0032573 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0032573 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0032573 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0032573 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0032573 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0032573 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0032573 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0032573 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0032573 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0032573 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0032573 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0032573 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0032573 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0032573 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0032573 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0032573 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0032573 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0032573 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0032573 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032573 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0032573 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0032573 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0032573 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0032573 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0032573 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0032573 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0032573 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0032573 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0032573 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0032573 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0032573 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0032573 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0032573 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0032573 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0032573 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0032573 k( 85) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0032573 k( 86) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0032573 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0032573 k( 88) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0032573 k( 89) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0032573 k( 90) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0032573 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0032573 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0032573 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0032573 k( 94) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0032573 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0032573 k( 96) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0032573 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0032573 k( 98) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0032573 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0032573 k( 100) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0032573 k( 101) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0032573 k( 102) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0032573 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0032573 k( 104) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0032573 k( 105) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0032573 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0032573 k( 107) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0032573 k( 108) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0032573 k( 109) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0032573 k( 110) = ( 0.2589286 0.2589286 -0.0000000), wk = 0.0032573 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0032573 k( 112) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0032573 k( 113) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0032573 k( 114) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0032573 k( 115) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0032573 k( 116) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0032573 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0032573 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0032573 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0032573 k( 120) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0032573 k( 121) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0032573 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0032573 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0032573 k( 124) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0032573 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0032573 k( 126) = ( 0.1160714 0.1160714 -0.0000000), wk = 0.0032573 k( 127) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0032573 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0032573 k( 129) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0032573 k( 130) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0032573 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0032573 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0032573 k( 133) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0032573 k( 134) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0032573 k( 135) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0032573 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0032573 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0032573 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0032573 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 141) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0032573 k( 142) = ( 0.0144928 0.0144927 0.0144927), wk = 0.0032573 k( 143) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032573 k( 144) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0032573 k( 145) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0032573 k( 146) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032573 k( 147) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0032573 k( 148) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0032573 k( 149) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032573 k( 150) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0032573 k( 151) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0032573 k( 152) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032573 k( 153) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0032573 k( 154) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0032573 k( 155) = ( 0.1086957 0.1086956 0.1086956), wk = 0.0032573 k( 156) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0032573 k( 157) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0032573 k( 158) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032573 k( 159) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0032573 k( 160) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0032573 k( 161) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032573 k( 162) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0032573 k( 163) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032573 k( 164) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032573 k( 165) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0032573 k( 166) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0032573 k( 167) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032573 k( 168) = ( 0.2028986 0.2028985 0.2028985), wk = 0.0032573 k( 169) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0032573 k( 170) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032573 k( 171) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0032573 k( 172) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0032573 k( 173) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032573 k( 174) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0032573 k( 175) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0032573 k( 176) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032573 k( 177) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0032573 k( 178) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0032573 k( 179) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032573 k( 180) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0032573 k( 181) = ( 0.2971014 0.2971014 0.2971014), wk = 0.0032573 k( 182) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032573 k( 183) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0032573 k( 184) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0032573 k( 185) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032573 k( 186) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032573 k( 187) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0032573 k( 188) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032573 k( 189) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0032573 k( 190) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0032573 k( 191) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032573 k( 192) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0032573 k( 193) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0032573 k( 194) = ( 0.3913044 0.3913043 0.3913043), wk = 0.0032573 k( 195) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0032573 k( 196) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0032573 k( 197) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032573 k( 198) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0032573 k( 199) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0032573 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032573 k( 201) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0032573 k( 202) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0032573 k( 203) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032573 k( 204) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0032573 k( 205) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0032573 k( 206) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032573 k( 207) = ( 0.4855073 0.4855072 0.4855072), wk = 0.0032573 k( 208) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0032573 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 211) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0032573 k( 212) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0032573 k( 213) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0032573 k( 214) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0032573 k( 215) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0032573 k( 216) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0032573 k( 217) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0032573 k( 218) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0032573 k( 219) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0032573 k( 220) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0032573 k( 221) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0032573 k( 222) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0032573 k( 223) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0032573 k( 224) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0032573 k( 225) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0032573 k( 226) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0032573 k( 227) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0032573 k( 228) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0032573 k( 229) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0032573 k( 230) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0032573 k( 231) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0032573 k( 232) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0032573 k( 233) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0032573 k( 234) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0032573 k( 235) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0032573 k( 236) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0032573 k( 237) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0032573 k( 238) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0032573 k( 239) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0032573 k( 240) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0032573 k( 241) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0032573 k( 242) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0032573 k( 243) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0032573 k( 244) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0032573 k( 245) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0032573 k( 246) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0032573 k( 247) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0032573 k( 248) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0032573 k( 249) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0032573 k( 250) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0032573 k( 251) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0032573 k( 252) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0032573 k( 253) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0032573 k( 254) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0032573 k( 255) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0032573 k( 256) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0032573 k( 257) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0032573 k( 258) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0032573 k( 259) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0032573 k( 260) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0032573 k( 261) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0032573 k( 262) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0032573 k( 263) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0032573 k( 264) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0032573 k( 265) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0032573 k( 266) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032573 k( 267) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 268) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032573 k( 269) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032573 k( 270) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032573 k( 271) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032573 k( 272) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032573 k( 273) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032573 k( 274) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032573 k( 275) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032573 k( 276) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032573 k( 277) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032573 k( 278) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032573 k( 279) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032573 k( 280) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032573 k( 281) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032573 k( 282) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032573 k( 283) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032573 k( 284) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032573 k( 285) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032573 k( 286) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032573 k( 287) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032573 k( 288) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032573 k( 289) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032573 k( 290) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032573 k( 292) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032573 k( 293) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032573 k( 294) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032573 k( 295) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032573 k( 296) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032573 k( 297) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032573 k( 298) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032573 k( 299) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032573 k( 300) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032573 k( 301) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032573 k( 302) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032573 k( 303) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032573 k( 304) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032573 k( 305) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032573 k( 306) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032573 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0000000 0.0125000 0.0000000), wk = 0.0032573 k( 3) = ( 0.0000000 0.0250000 0.0000000), wk = 0.0032573 k( 4) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0032573 k( 5) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0032573 k( 6) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0032573 k( 7) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0032573 k( 8) = ( 0.0000000 0.0875000 0.0000000), wk = 0.0032573 k( 9) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0032573 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0032573 k( 11) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0032573 k( 12) = ( 0.0000000 0.1375000 0.0000000), wk = 0.0032573 k( 13) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0032573 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0032573 k( 15) = ( 0.0000000 0.1750000 0.0000000), wk = 0.0032573 k( 16) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0032573 k( 17) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0032573 k( 18) = ( 0.0000000 0.2125000 0.0000000), wk = 0.0032573 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0032573 k( 20) = ( 0.0000000 0.2375000 0.0000000), wk = 0.0032573 k( 21) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0032573 k( 22) = ( 0.0000000 0.2625000 0.0000000), wk = 0.0032573 k( 23) = ( 0.0000000 0.2750000 0.0000000), wk = 0.0032573 k( 24) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0032573 k( 25) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0032573 k( 26) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0032573 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0032573 k( 28) = ( 0.0000000 0.3375000 0.0000000), wk = 0.0032573 k( 29) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0032573 k( 30) = ( 0.0000000 0.3625000 0.0000000), wk = 0.0032573 k( 31) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0032573 k( 32) = ( 0.0000000 0.3875000 0.0000000), wk = 0.0032573 k( 33) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0032573 k( 34) = ( 0.0000000 0.4125000 0.0000000), wk = 0.0032573 k( 35) = ( 0.0000000 0.4250000 0.0000000), wk = 0.0032573 k( 36) = ( 0.0000000 0.4375000 0.0000000), wk = 0.0032573 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0032573 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0032573 k( 39) = ( 0.0000000 0.4750000 0.0000000), wk = 0.0032573 k( 40) = ( 0.0000000 0.4875000 0.0000000), wk = 0.0032573 k( 41) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 42) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 43) = ( 0.0125000 0.5000000 0.0000000), wk = 0.0032573 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0032573 k( 45) = ( 0.0375000 0.5000000 0.0000000), wk = 0.0032573 k( 46) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0032573 k( 47) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0032573 k( 48) = ( 0.0750000 0.5000000 0.0000000), wk = 0.0032573 k( 49) = ( 0.0875000 0.5000000 0.0000000), wk = 0.0032573 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0032573 k( 51) = ( 0.1125000 0.5000000 0.0000000), wk = 0.0032573 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0032573 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0032573 k( 54) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0032573 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0032573 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0032573 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0032573 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0032573 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0032573 k( 60) = ( 0.2250000 0.5000000 0.0000000), wk = 0.0032573 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0032573 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0032573 k( 63) = ( 0.2625000 0.5000000 0.0000000), wk = 0.0032573 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0032573 k( 65) = ( 0.2875000 0.5000000 0.0000000), wk = 0.0032573 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0032573 k( 67) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0032573 k( 68) = ( 0.3250000 0.5000000 0.0000000), wk = 0.0032573 k( 69) = ( 0.3375000 0.5000000 0.0000000), wk = 0.0032573 k( 70) = ( 0.3500000 0.5000000 0.0000000), wk = 0.0032573 k( 71) = ( 0.3625000 0.5000000 0.0000000), wk = 0.0032573 k( 72) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0032573 k( 73) = ( 0.3875000 0.5000000 0.0000000), wk = 0.0032573 k( 74) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0032573 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0032573 k( 76) = ( 0.4250000 0.5000000 0.0000000), wk = 0.0032573 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0032573 k( 78) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0032573 k( 79) = ( 0.4625000 0.5000000 0.0000000), wk = 0.0032573 k( 80) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0032573 k( 81) = ( 0.4875000 0.5000000 0.0000000), wk = 0.0032573 k( 82) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 83) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 84) = ( 0.4910714 0.4910714 0.0000000), wk = 0.0032573 k( 85) = ( 0.4821429 0.4821429 0.0000000), wk = 0.0032573 k( 86) = ( 0.4732143 0.4732143 0.0000000), wk = 0.0032573 k( 87) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0032573 k( 88) = ( 0.4553571 0.4553571 0.0000000), wk = 0.0032573 k( 89) = ( 0.4464286 0.4464286 0.0000000), wk = 0.0032573 k( 90) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0032573 k( 91) = ( 0.4285714 0.4285714 0.0000000), wk = 0.0032573 k( 92) = ( 0.4196429 0.4196429 0.0000000), wk = 0.0032573 k( 93) = ( 0.4107143 0.4107143 0.0000000), wk = 0.0032573 k( 94) = ( 0.4017857 0.4017857 0.0000000), wk = 0.0032573 k( 95) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0032573 k( 96) = ( 0.3839286 0.3839286 0.0000000), wk = 0.0032573 k( 97) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0032573 k( 98) = ( 0.3660714 0.3660714 0.0000000), wk = 0.0032573 k( 99) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0032573 k( 100) = ( 0.3482143 0.3482143 0.0000000), wk = 0.0032573 k( 101) = ( 0.3392857 0.3392857 0.0000000), wk = 0.0032573 k( 102) = ( 0.3303571 0.3303571 0.0000000), wk = 0.0032573 k( 103) = ( 0.3214286 0.3214286 0.0000000), wk = 0.0032573 k( 104) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0032573 k( 105) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0032573 k( 106) = ( 0.2946429 0.2946429 0.0000000), wk = 0.0032573 k( 107) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0032573 k( 108) = ( 0.2767857 0.2767857 0.0000000), wk = 0.0032573 k( 109) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0032573 k( 110) = ( 0.2589286 0.2589286 0.0000000), wk = 0.0032573 k( 111) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0032573 k( 112) = ( 0.2410714 0.2410714 0.0000000), wk = 0.0032573 k( 113) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0032573 k( 114) = ( 0.2232143 0.2232143 0.0000000), wk = 0.0032573 k( 115) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0032573 k( 116) = ( 0.2053571 0.2053571 0.0000000), wk = 0.0032573 k( 117) = ( 0.1964286 0.1964286 0.0000000), wk = 0.0032573 k( 118) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0032573 k( 119) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0032573 k( 120) = ( 0.1696429 0.1696429 0.0000000), wk = 0.0032573 k( 121) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0032573 k( 122) = ( 0.1517857 0.1517857 0.0000000), wk = 0.0032573 k( 123) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0032573 k( 124) = ( 0.1339286 0.1339286 0.0000000), wk = 0.0032573 k( 125) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0032573 k( 126) = ( 0.1160714 0.1160714 0.0000000), wk = 0.0032573 k( 127) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0032573 k( 128) = ( 0.0982143 0.0982143 0.0000000), wk = 0.0032573 k( 129) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0032573 k( 130) = ( 0.0803571 0.0803571 0.0000000), wk = 0.0032573 k( 131) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0032573 k( 132) = ( 0.0625000 0.0625000 0.0000000), wk = 0.0032573 k( 133) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0032573 k( 134) = ( 0.0446429 0.0446429 0.0000000), wk = 0.0032573 k( 135) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0032573 k( 136) = ( 0.0267857 0.0267857 0.0000000), wk = 0.0032573 k( 137) = ( 0.0178571 0.0178571 0.0000000), wk = 0.0032573 k( 138) = ( 0.0089286 0.0089286 0.0000000), wk = 0.0032573 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 141) = ( 0.0072464 0.0072464 0.0072464), wk = 0.0032573 k( 142) = ( 0.0144928 0.0144928 0.0144928), wk = 0.0032573 k( 143) = ( 0.0217391 0.0217391 0.0217391), wk = 0.0032573 k( 144) = ( 0.0289855 0.0289855 0.0289855), wk = 0.0032573 k( 145) = ( 0.0362319 0.0362319 0.0362319), wk = 0.0032573 k( 146) = ( 0.0434783 0.0434783 0.0434783), wk = 0.0032573 k( 147) = ( 0.0507246 0.0507246 0.0507246), wk = 0.0032573 k( 148) = ( 0.0579710 0.0579710 0.0579710), wk = 0.0032573 k( 149) = ( 0.0652174 0.0652174 0.0652174), wk = 0.0032573 k( 150) = ( 0.0724638 0.0724638 0.0724638), wk = 0.0032573 k( 151) = ( 0.0797101 0.0797101 0.0797101), wk = 0.0032573 k( 152) = ( 0.0869565 0.0869565 0.0869565), wk = 0.0032573 k( 153) = ( 0.0942029 0.0942029 0.0942029), wk = 0.0032573 k( 154) = ( 0.1014493 0.1014493 0.1014493), wk = 0.0032573 k( 155) = ( 0.1086957 0.1086957 0.1086957), wk = 0.0032573 k( 156) = ( 0.1159420 0.1159420 0.1159420), wk = 0.0032573 k( 157) = ( 0.1231884 0.1231884 0.1231884), wk = 0.0032573 k( 158) = ( 0.1304348 0.1304348 0.1304348), wk = 0.0032573 k( 159) = ( 0.1376812 0.1376812 0.1376812), wk = 0.0032573 k( 160) = ( 0.1449275 0.1449275 0.1449275), wk = 0.0032573 k( 161) = ( 0.1521739 0.1521739 0.1521739), wk = 0.0032573 k( 162) = ( 0.1594203 0.1594203 0.1594203), wk = 0.0032573 k( 163) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0032573 k( 164) = ( 0.1739130 0.1739130 0.1739130), wk = 0.0032573 k( 165) = ( 0.1811594 0.1811594 0.1811594), wk = 0.0032573 k( 166) = ( 0.1884058 0.1884058 0.1884058), wk = 0.0032573 k( 167) = ( 0.1956522 0.1956522 0.1956522), wk = 0.0032573 k( 168) = ( 0.2028986 0.2028986 0.2028986), wk = 0.0032573 k( 169) = ( 0.2101449 0.2101449 0.2101449), wk = 0.0032573 k( 170) = ( 0.2173913 0.2173913 0.2173913), wk = 0.0032573 k( 171) = ( 0.2246377 0.2246377 0.2246377), wk = 0.0032573 k( 172) = ( 0.2318841 0.2318841 0.2318841), wk = 0.0032573 k( 173) = ( 0.2391304 0.2391304 0.2391304), wk = 0.0032573 k( 174) = ( 0.2463768 0.2463768 0.2463768), wk = 0.0032573 k( 175) = ( 0.2536232 0.2536232 0.2536232), wk = 0.0032573 k( 176) = ( 0.2608696 0.2608696 0.2608696), wk = 0.0032573 k( 177) = ( 0.2681159 0.2681159 0.2681159), wk = 0.0032573 k( 178) = ( 0.2753623 0.2753623 0.2753623), wk = 0.0032573 k( 179) = ( 0.2826087 0.2826087 0.2826087), wk = 0.0032573 k( 180) = ( 0.2898551 0.2898551 0.2898551), wk = 0.0032573 k( 181) = ( 0.2971014 0.2971014 0.2971014), wk = 0.0032573 k( 182) = ( 0.3043478 0.3043478 0.3043478), wk = 0.0032573 k( 183) = ( 0.3115942 0.3115942 0.3115942), wk = 0.0032573 k( 184) = ( 0.3188406 0.3188406 0.3188406), wk = 0.0032573 k( 185) = ( 0.3260870 0.3260870 0.3260870), wk = 0.0032573 k( 186) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0032573 k( 187) = ( 0.3405797 0.3405797 0.3405797), wk = 0.0032573 k( 188) = ( 0.3478261 0.3478261 0.3478261), wk = 0.0032573 k( 189) = ( 0.3550725 0.3550725 0.3550725), wk = 0.0032573 k( 190) = ( 0.3623188 0.3623188 0.3623188), wk = 0.0032573 k( 191) = ( 0.3695652 0.3695652 0.3695652), wk = 0.0032573 k( 192) = ( 0.3768116 0.3768116 0.3768116), wk = 0.0032573 k( 193) = ( 0.3840580 0.3840580 0.3840580), wk = 0.0032573 k( 194) = ( 0.3913044 0.3913044 0.3913044), wk = 0.0032573 k( 195) = ( 0.3985507 0.3985507 0.3985507), wk = 0.0032573 k( 196) = ( 0.4057971 0.4057971 0.4057971), wk = 0.0032573 k( 197) = ( 0.4130435 0.4130435 0.4130435), wk = 0.0032573 k( 198) = ( 0.4202899 0.4202899 0.4202899), wk = 0.0032573 k( 199) = ( 0.4275362 0.4275362 0.4275362), wk = 0.0032573 k( 200) = ( 0.4347826 0.4347826 0.4347826), wk = 0.0032573 k( 201) = ( 0.4420290 0.4420290 0.4420290), wk = 0.0032573 k( 202) = ( 0.4492754 0.4492754 0.4492754), wk = 0.0032573 k( 203) = ( 0.4565217 0.4565217 0.4565217), wk = 0.0032573 k( 204) = ( 0.4637681 0.4637681 0.4637681), wk = 0.0032573 k( 205) = ( 0.4710145 0.4710145 0.4710145), wk = 0.0032573 k( 206) = ( 0.4782609 0.4782609 0.4782609), wk = 0.0032573 k( 207) = ( 0.4855073 0.4855073 0.4855073), wk = 0.0032573 k( 208) = ( 0.4927536 0.4927536 0.4927536), wk = 0.0032573 k( 209) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 210) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 211) = ( 0.4910714 0.5000000 0.4910714), wk = 0.0032573 k( 212) = ( 0.4821429 0.5000000 0.4821429), wk = 0.0032573 k( 213) = ( 0.4732143 0.5000000 0.4732143), wk = 0.0032573 k( 214) = ( 0.4642857 0.5000000 0.4642857), wk = 0.0032573 k( 215) = ( 0.4553571 0.5000000 0.4553571), wk = 0.0032573 k( 216) = ( 0.4464286 0.5000000 0.4464286), wk = 0.0032573 k( 217) = ( 0.4375000 0.5000000 0.4375000), wk = 0.0032573 k( 218) = ( 0.4285714 0.5000000 0.4285714), wk = 0.0032573 k( 219) = ( 0.4196429 0.5000000 0.4196429), wk = 0.0032573 k( 220) = ( 0.4107143 0.5000000 0.4107143), wk = 0.0032573 k( 221) = ( 0.4017857 0.5000000 0.4017857), wk = 0.0032573 k( 222) = ( 0.3928571 0.5000000 0.3928571), wk = 0.0032573 k( 223) = ( 0.3839286 0.5000000 0.3839286), wk = 0.0032573 k( 224) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0032573 k( 225) = ( 0.3660714 0.5000000 0.3660714), wk = 0.0032573 k( 226) = ( 0.3571429 0.5000000 0.3571429), wk = 0.0032573 k( 227) = ( 0.3482143 0.5000000 0.3482143), wk = 0.0032573 k( 228) = ( 0.3392857 0.5000000 0.3392857), wk = 0.0032573 k( 229) = ( 0.3303571 0.5000000 0.3303571), wk = 0.0032573 k( 230) = ( 0.3214286 0.5000000 0.3214286), wk = 0.0032573 k( 231) = ( 0.3125000 0.5000000 0.3125000), wk = 0.0032573 k( 232) = ( 0.3035714 0.5000000 0.3035714), wk = 0.0032573 k( 233) = ( 0.2946429 0.5000000 0.2946429), wk = 0.0032573 k( 234) = ( 0.2857143 0.5000000 0.2857143), wk = 0.0032573 k( 235) = ( 0.2767857 0.5000000 0.2767857), wk = 0.0032573 k( 236) = ( 0.2678571 0.5000000 0.2678571), wk = 0.0032573 k( 237) = ( 0.2589286 0.5000000 0.2589286), wk = 0.0032573 k( 238) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0032573 k( 239) = ( 0.2410714 0.5000000 0.2410714), wk = 0.0032573 k( 240) = ( 0.2321429 0.5000000 0.2321429), wk = 0.0032573 k( 241) = ( 0.2232143 0.5000000 0.2232143), wk = 0.0032573 k( 242) = ( 0.2142857 0.5000000 0.2142857), wk = 0.0032573 k( 243) = ( 0.2053571 0.5000000 0.2053571), wk = 0.0032573 k( 244) = ( 0.1964286 0.5000000 0.1964286), wk = 0.0032573 k( 245) = ( 0.1875000 0.5000000 0.1875000), wk = 0.0032573 k( 246) = ( 0.1785714 0.5000000 0.1785714), wk = 0.0032573 k( 247) = ( 0.1696429 0.5000000 0.1696429), wk = 0.0032573 k( 248) = ( 0.1607143 0.5000000 0.1607143), wk = 0.0032573 k( 249) = ( 0.1517857 0.5000000 0.1517857), wk = 0.0032573 k( 250) = ( 0.1428571 0.5000000 0.1428571), wk = 0.0032573 k( 251) = ( 0.1339286 0.5000000 0.1339286), wk = 0.0032573 k( 252) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0032573 k( 253) = ( 0.1160714 0.5000000 0.1160714), wk = 0.0032573 k( 254) = ( 0.1071429 0.5000000 0.1071429), wk = 0.0032573 k( 255) = ( 0.0982143 0.5000000 0.0982143), wk = 0.0032573 k( 256) = ( 0.0892857 0.5000000 0.0892857), wk = 0.0032573 k( 257) = ( 0.0803571 0.5000000 0.0803571), wk = 0.0032573 k( 258) = ( 0.0714286 0.5000000 0.0714286), wk = 0.0032573 k( 259) = ( 0.0625000 0.5000000 0.0625000), wk = 0.0032573 k( 260) = ( 0.0535714 0.5000000 0.0535714), wk = 0.0032573 k( 261) = ( 0.0446429 0.5000000 0.0446429), wk = 0.0032573 k( 262) = ( 0.0357143 0.5000000 0.0357143), wk = 0.0032573 k( 263) = ( 0.0267857 0.5000000 0.0267857), wk = 0.0032573 k( 264) = ( 0.0178571 0.5000000 0.0178571), wk = 0.0032573 k( 265) = ( 0.0089286 0.5000000 0.0089286), wk = 0.0032573 k( 266) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032573 k( 267) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032573 k( 268) = ( 0.5000000 0.5000000 0.0125000), wk = 0.0032573 k( 269) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0032573 k( 270) = ( 0.5000000 0.5000000 0.0375000), wk = 0.0032573 k( 271) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0032573 k( 272) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032573 k( 273) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0032573 k( 274) = ( 0.5000000 0.5000000 0.0875000), wk = 0.0032573 k( 275) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0032573 k( 276) = ( 0.5000000 0.5000000 0.1125000), wk = 0.0032573 k( 277) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032573 k( 278) = ( 0.5000000 0.5000000 0.1375000), wk = 0.0032573 k( 279) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0032573 k( 280) = ( 0.5000000 0.5000000 0.1625000), wk = 0.0032573 k( 281) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0032573 k( 282) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032573 k( 283) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0032573 k( 284) = ( 0.5000000 0.5000000 0.2125000), wk = 0.0032573 k( 285) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0032573 k( 286) = ( 0.5000000 0.5000000 0.2375000), wk = 0.0032573 k( 287) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032573 k( 288) = ( 0.5000000 0.5000000 0.2625000), wk = 0.0032573 k( 289) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0032573 k( 290) = ( 0.5000000 0.5000000 0.2875000), wk = 0.0032573 k( 291) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0032573 k( 292) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032573 k( 293) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0032573 k( 294) = ( 0.5000000 0.5000000 0.3375000), wk = 0.0032573 k( 295) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0032573 k( 296) = ( 0.5000000 0.5000000 0.3625000), wk = 0.0032573 k( 297) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032573 k( 298) = ( 0.5000000 0.5000000 0.3875000), wk = 0.0032573 k( 299) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0032573 k( 300) = ( 0.5000000 0.5000000 0.4125000), wk = 0.0032573 k( 301) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0032573 k( 302) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032573 k( 303) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0032573 k( 304) = ( 0.5000000 0.5000000 0.4625000), wk = 0.0032573 k( 305) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0032573 k( 306) = ( 0.5000000 0.5000000 0.4875000), wk = 0.0032573 k( 307) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 Dense grid: 65117 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 20377 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 142, 42) NL pseudopotentials 0.13 Mb ( 71, 118) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1810) G-vector shells 0.00 Mb ( 383) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.36 Mb ( 142, 168) Each subspace H/S matrix 0.03 Mb ( 42, 42) Each matrix 0.15 Mb ( 118, 2, 42) The potential is recalculated from file : ./ZrPt3.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 1.7 secs Computing kpt #: 2 total cpu time spent up to now is 2.1 secs Computing kpt #: 3 total cpu time spent up to now is 2.5 secs Computing kpt #: 4 total cpu time spent up to now is 2.9 secs Computing kpt #: 5 total cpu time spent up to now is 3.3 secs Computing kpt #: 6 total cpu time spent up to now is 3.7 secs Computing kpt #: 7 total cpu time spent up to now is 4.1 secs Computing kpt #: 8 total cpu time spent up to now is 4.5 secs Computing kpt #: 9 total cpu time spent up to now is 4.9 secs Computing kpt #: 10 total cpu time spent up to now is 5.2 secs Computing kpt #: 11 total cpu time spent up to now is 5.6 secs Computing kpt #: 12 total cpu time spent up to now is 6.0 secs Computing kpt #: 13 total cpu time spent up to now is 6.3 secs Computing kpt #: 14 total cpu time spent up to now is 6.6 secs Computing kpt #: 15 total cpu time spent up to now is 6.9 secs Computing kpt #: 16 total cpu time spent up to now is 7.2 secs Computing kpt #: 17 total cpu time spent up to now is 7.5 secs Computing kpt #: 18 total cpu time spent up to now is 7.8 secs Computing kpt #: 19 total cpu time spent up to now is 8.1 secs Computing kpt #: 20 total cpu time spent up to now is 8.4 secs Computing kpt #: 21 total cpu time spent up to now is 8.7 secs Computing kpt #: 22 total cpu time spent up to now is 9.5 secs Computing kpt #: 23 total cpu time spent up to now is 9.8 secs Computing kpt #: 24 total cpu time spent up to now is 10.1 secs Computing kpt #: 25 total cpu time spent up to now is 10.4 secs Computing kpt #: 26 total cpu time spent up to now is 10.7 secs Computing kpt #: 27 total cpu time spent up to now is 11.0 secs Computing kpt #: 28 total cpu time spent up to now is 11.3 secs Computing kpt #: 29 total cpu time spent up to now is 11.6 secs Computing kpt #: 30 total cpu time spent up to now is 11.9 secs Computing kpt #: 31 total cpu time spent up to now is 12.2 secs Computing kpt #: 32 total cpu time spent up to now is 12.5 secs Computing kpt #: 33 total cpu time spent up to now is 12.8 secs Computing kpt #: 34 total cpu time spent up to now is 13.1 secs Computing kpt #: 35 total cpu time spent up to now is 13.4 secs Computing kpt #: 36 total cpu time spent up to now is 13.8 secs Computing kpt #: 37 total cpu time spent up to now is 14.1 secs Computing kpt #: 38 total cpu time spent up to now is 14.4 secs Computing kpt #: 39 total cpu time spent up to now is 14.7 secs Computing kpt #: 40 total cpu time spent up to now is 15.0 secs Computing kpt #: 41 total cpu time spent up to now is 15.3 secs Computing kpt #: 42 total cpu time spent up to now is 15.6 secs Computing kpt #: 43 total cpu time spent up to now is 15.9 secs Computing kpt #: 44 total cpu time spent up to now is 16.2 secs Computing kpt #: 45 total cpu time spent up to now is 16.5 secs Computing kpt #: 46 total cpu time spent up to now is 16.8 secs Computing kpt #: 47 total cpu time spent up to now is 17.1 secs Computing kpt #: 48 total cpu time spent up to now is 17.5 secs Computing kpt #: 49 total cpu time spent up to now is 17.8 secs Computing kpt #: 50 total cpu time spent up to now is 18.1 secs Computing kpt #: 51 total cpu time spent up to now is 18.4 secs Computing kpt #: 52 total cpu time spent up to now is 18.7 secs Computing kpt #: 53 total cpu time spent up to now is 19.0 secs Computing kpt #: 54 total cpu time spent up to now is 19.3 secs Computing kpt #: 55 total cpu time spent up to now is 19.6 secs Computing kpt #: 56 total cpu time spent up to now is 19.9 secs Computing kpt #: 57 total cpu time spent up to now is 20.2 secs Computing kpt #: 58 total cpu time spent up to now is 20.5 secs Computing kpt #: 59 total cpu time spent up to now is 20.9 secs Computing kpt #: 60 total cpu time spent up to now is 21.2 secs Computing kpt #: 61 total cpu time spent up to now is 21.5 secs Computing kpt #: 62 total cpu time spent up to now is 21.9 secs Computing kpt #: 63 total cpu time spent up to now is 22.3 secs Computing kpt #: 64 total cpu time spent up to now is 22.7 secs Computing kpt #: 65 total cpu time spent up to now is 23.1 secs Computing kpt #: 66 total cpu time spent up to now is 23.5 secs Computing kpt #: 67 total cpu time spent up to now is 23.9 secs Computing kpt #: 68 total cpu time spent up to now is 24.2 secs Computing kpt #: 69 total cpu time spent up to now is 24.6 secs Computing kpt #: 70 total cpu time spent up to now is 24.9 secs Computing kpt #: 71 total cpu time spent up to now is 25.2 secs Computing kpt #: 72 total cpu time spent up to now is 25.6 secs Computing kpt #: 73 total cpu time spent up to now is 25.9 secs Computing kpt #: 74 total cpu time spent up to now is 26.2 secs Computing kpt #: 75 total cpu time spent up to now is 26.5 secs Computing kpt #: 76 total cpu time spent up to now is 26.9 secs Computing kpt #: 77 total cpu time spent up to now is 27.2 secs Computing kpt #: 78 total cpu time spent up to now is 27.6 secs Computing kpt #: 79 total cpu time spent up to now is 27.9 secs Computing kpt #: 80 total cpu time spent up to now is 28.3 secs Computing kpt #: 81 total cpu time spent up to now is 28.6 secs Computing kpt #: 82 total cpu time spent up to now is 29.0 secs Computing kpt #: 83 total cpu time spent up to now is 29.5 secs Computing kpt #: 84 total cpu time spent up to now is 29.8 secs Computing kpt #: 85 total cpu time spent up to now is 30.2 secs Computing kpt #: 86 total cpu time spent up to now is 30.5 secs Computing kpt #: 87 total cpu time spent up to now is 30.9 secs Computing kpt #: 88 total cpu time spent up to now is 31.2 secs Computing kpt #: 89 total cpu time spent up to now is 31.5 secs Computing kpt #: 90 total cpu time spent up to now is 31.9 secs Computing kpt #: 91 total cpu time spent up to now is 32.2 secs Computing kpt #: 92 total cpu time spent up to now is 32.5 secs Computing kpt #: 93 total cpu time spent up to now is 32.9 secs Computing kpt #: 94 total cpu time spent up to now is 33.2 secs Computing kpt #: 95 total cpu time spent up to now is 33.5 secs Computing kpt #: 96 total cpu time spent up to now is 33.8 secs Computing kpt #: 97 total cpu time spent up to now is 34.2 secs Computing kpt #: 98 total cpu time spent up to now is 34.5 secs Computing kpt #: 99 total cpu time spent up to now is 34.8 secs Computing kpt #: 100 total cpu time spent up to now is 35.1 secs Computing kpt #: 101 total cpu time spent up to now is 35.5 secs Computing kpt #: 102 total cpu time spent up to now is 35.8 secs Computing kpt #: 103 total cpu time spent up to now is 36.1 secs Computing kpt #: 104 total cpu time spent up to now is 36.4 secs Computing kpt #: 105 total cpu time spent up to now is 36.7 secs Computing kpt #: 106 total cpu time spent up to now is 37.1 secs Computing kpt #: 107 total cpu time spent up to now is 37.4 secs Computing kpt #: 108 total cpu time spent up to now is 37.7 secs Computing kpt #: 109 total cpu time spent up to now is 38.1 secs Computing kpt #: 110 total cpu time spent up to now is 38.4 secs Computing kpt #: 111 total cpu time spent up to now is 38.8 secs Computing kpt #: 112 total cpu time spent up to now is 39.2 secs Computing kpt #: 113 total cpu time spent up to now is 39.7 secs Computing kpt #: 114 total cpu time spent up to now is 40.1 secs Computing kpt #: 115 total cpu time spent up to now is 40.6 secs Computing kpt #: 116 total cpu time spent up to now is 41.1 secs Computing kpt #: 117 total cpu time spent up to now is 41.6 secs Computing kpt #: 118 total cpu time spent up to now is 42.1 secs Computing kpt #: 119 total cpu time spent up to now is 42.6 secs Computing kpt #: 120 total cpu time spent up to now is 43.1 secs Computing kpt #: 121 total cpu time spent up to now is 43.6 secs Computing kpt #: 122 total cpu time spent up to now is 44.0 secs Computing kpt #: 123 total cpu time spent up to now is 44.4 secs Computing kpt #: 124 total cpu time spent up to now is 44.9 secs Computing kpt #: 125 total cpu time spent up to now is 45.3 secs Computing kpt #: 126 total cpu time spent up to now is 45.7 secs Computing kpt #: 127 total cpu time spent up to now is 46.1 secs Computing kpt #: 128 total cpu time spent up to now is 46.5 secs Computing kpt #: 129 total cpu time spent up to now is 46.9 secs Computing kpt #: 130 total cpu time spent up to now is 47.3 secs Computing kpt #: 131 total cpu time spent up to now is 47.7 secs Computing kpt #: 132 total cpu time spent up to now is 48.0 secs Computing kpt #: 133 total cpu time spent up to now is 48.4 secs Computing kpt #: 134 total cpu time spent up to now is 48.8 secs Computing kpt #: 135 total cpu time spent up to now is 49.2 secs Computing kpt #: 136 total cpu time spent up to now is 49.6 secs Computing kpt #: 137 total cpu time spent up to now is 50.0 secs Computing kpt #: 138 total cpu time spent up to now is 50.4 secs Computing kpt #: 139 total cpu time spent up to now is 50.7 secs Computing kpt #: 140 total cpu time spent up to now is 51.0 secs Computing kpt #: 141 total cpu time spent up to now is 51.4 secs Computing kpt #: 142 total cpu time spent up to now is 51.8 secs Computing kpt #: 143 total cpu time spent up to now is 52.2 secs Computing kpt #: 144 total cpu time spent up to now is 52.6 secs Computing kpt #: 145 total cpu time spent up to now is 53.0 secs Computing kpt #: 146 total cpu time spent up to now is 53.4 secs Computing kpt #: 147 total cpu time spent up to now is 53.8 secs Computing kpt #: 148 total cpu time spent up to now is 54.2 secs Computing kpt #: 149 total cpu time spent up to now is 54.6 secs Computing kpt #: 150 total cpu time spent up to now is 55.0 secs Computing kpt #: 151 total cpu time spent up to now is 55.4 secs Computing kpt #: 152 total cpu time spent up to now is 55.8 secs Computing kpt #: 153 total cpu time spent up to now is 56.1 secs Computing kpt #: 154 total cpu time spent up to now is 56.4 secs Computing kpt #: 155 total cpu time spent up to now is 56.7 secs Computing kpt #: 156 total cpu time spent up to now is 57.0 secs Computing kpt #: 157 total cpu time spent up to now is 57.3 secs Computing kpt #: 158 total cpu time spent up to now is 57.6 secs Computing kpt #: 159 total cpu time spent up to now is 58.0 secs Computing kpt #: 160 total cpu time spent up to now is 58.3 secs Computing kpt #: 161 total cpu time spent up to now is 58.6 secs Computing kpt #: 162 total cpu time spent up to now is 58.9 secs Computing kpt #: 163 total cpu time spent up to now is 59.1 secs Computing kpt #: 164 total cpu time spent up to now is 59.4 secs Computing kpt #: 165 total cpu time spent up to now is 59.8 secs Computing kpt #: 166 total cpu time spent up to now is 60.1 secs Computing kpt #: 167 total cpu time spent up to now is 60.4 secs Computing kpt #: 168 total cpu time spent up to now is 60.7 secs Computing kpt #: 169 total cpu time spent up to now is 61.0 secs Computing kpt #: 170 total cpu time spent up to now is 61.3 secs Computing kpt #: 171 total cpu time spent up to now is 61.6 secs Computing kpt #: 172 total cpu time spent up to now is 61.9 secs Computing kpt #: 173 total cpu time spent up to now is 62.2 secs Computing kpt #: 174 total cpu time spent up to now is 62.5 secs Computing kpt #: 175 total cpu time spent up to now is 62.8 secs Computing kpt #: 176 total cpu time spent up to now is 63.1 secs Computing kpt #: 177 total cpu time spent up to now is 63.4 secs Computing kpt #: 178 total cpu time spent up to now is 63.7 secs Computing kpt #: 179 total cpu time spent up to now is 64.0 secs Computing kpt #: 180 total cpu time spent up to now is 64.3 secs Computing kpt #: 181 total cpu time spent up to now is 64.6 secs Computing kpt #: 182 total cpu time spent up to now is 64.9 secs Computing kpt #: 183 total cpu time spent up to now is 65.2 secs Computing kpt #: 184 total cpu time spent up to now is 65.4 secs Computing kpt #: 185 total cpu time spent up to now is 65.7 secs Computing kpt #: 186 total cpu time spent up to now is 66.0 secs Computing kpt #: 187 total cpu time spent up to now is 66.3 secs Computing kpt #: 188 total cpu time spent up to now is 66.6 secs Computing kpt #: 189 total cpu time spent up to now is 66.9 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 67.6 secs Computing kpt #: 192 total cpu time spent up to now is 67.9 secs Computing kpt #: 193 total cpu time spent up to now is 68.2 secs Computing kpt #: 194 total cpu time spent up to now is 68.5 secs Computing kpt #: 195 total cpu time spent up to now is 68.9 secs Computing kpt #: 196 total cpu time spent up to now is 69.2 secs Computing kpt #: 197 total cpu time spent up to now is 69.6 secs Computing kpt #: 198 total cpu time spent up to now is 69.9 secs Computing kpt #: 199 total cpu time spent up to now is 70.3 secs Computing kpt #: 200 total cpu time spent up to now is 70.7 secs Computing kpt #: 201 total cpu time spent up to now is 71.1 secs Computing kpt #: 202 total cpu time spent up to now is 71.5 secs Computing kpt #: 203 total cpu time spent up to now is 71.9 secs Computing kpt #: 204 total cpu time spent up to now is 72.3 secs Computing kpt #: 205 total cpu time spent up to now is 72.6 secs Computing kpt #: 206 total cpu time spent up to now is 72.9 secs Computing kpt #: 207 total cpu time spent up to now is 73.2 secs Computing kpt #: 208 total cpu time spent up to now is 73.8 secs Computing kpt #: 209 total cpu time spent up to now is 74.1 secs Computing kpt #: 210 total cpu time spent up to now is 74.4 secs Computing kpt #: 211 total cpu time spent up to now is 74.8 secs Computing kpt #: 212 total cpu time spent up to now is 75.3 secs Computing kpt #: 213 total cpu time spent up to now is 75.8 secs Computing kpt #: 214 total cpu time spent up to now is 76.1 secs Computing kpt #: 215 total cpu time spent up to now is 76.5 secs Computing kpt #: 216 total cpu time spent up to now is 76.8 secs Computing kpt #: 217 total cpu time spent up to now is 77.2 secs Computing kpt #: 218 total cpu time spent up to now is 77.6 secs Computing kpt #: 219 total cpu time spent up to now is 78.0 secs Computing kpt #: 220 total cpu time spent up to now is 78.4 secs Computing kpt #: 221 total cpu time spent up to now is 78.7 secs Computing kpt #: 222 total cpu time spent up to now is 79.1 secs Computing kpt #: 223 total cpu time spent up to now is 79.4 secs Computing kpt #: 224 total cpu time spent up to now is 79.7 secs Computing kpt #: 225 total cpu time spent up to now is 80.1 secs Computing kpt #: 226 total cpu time spent up to now is 80.4 secs Computing kpt #: 227 total cpu time spent up to now is 80.7 secs Computing kpt #: 228 total cpu time spent up to now is 81.0 secs Computing kpt #: 229 total cpu time spent up to now is 81.3 secs Computing kpt #: 230 total cpu time spent up to now is 81.6 secs Computing kpt #: 231 total cpu time spent up to now is 81.9 secs Computing kpt #: 232 total cpu time spent up to now is 82.2 secs Computing kpt #: 233 total cpu time spent up to now is 82.4 secs Computing kpt #: 234 total cpu time spent up to now is 82.7 secs Computing kpt #: 235 total cpu time spent up to now is 83.0 secs Computing kpt #: 236 total cpu time spent up to now is 83.3 secs Computing kpt #: 237 total cpu time spent up to now is 83.6 secs Computing kpt #: 238 total cpu time spent up to now is 83.9 secs Computing kpt #: 239 total cpu time spent up to now is 84.6 secs Computing kpt #: 240 total cpu time spent up to now is 84.9 secs Computing kpt #: 241 total cpu time spent up to now is 85.2 secs Computing kpt #: 242 total cpu time spent up to now is 85.5 secs Computing kpt #: 243 total cpu time spent up to now is 85.8 secs Computing kpt #: 244 total cpu time spent up to now is 86.1 secs Computing kpt #: 245 total cpu time spent up to now is 86.4 secs Computing kpt #: 246 total cpu time spent up to now is 86.7 secs Computing kpt #: 247 total cpu time spent up to now is 87.0 secs Computing kpt #: 248 total cpu time spent up to now is 87.3 secs Computing kpt #: 249 total cpu time spent up to now is 87.6 secs Computing kpt #: 250 total cpu time spent up to now is 88.0 secs Computing kpt #: 251 total cpu time spent up to now is 88.3 secs Computing kpt #: 252 total cpu time spent up to now is 88.6 secs Computing kpt #: 253 total cpu time spent up to now is 88.9 secs Computing kpt #: 254 total cpu time spent up to now is 89.2 secs Computing kpt #: 255 total cpu time spent up to now is 89.5 secs Computing kpt #: 256 total cpu time spent up to now is 89.8 secs Computing kpt #: 257 total cpu time spent up to now is 90.1 secs Computing kpt #: 258 total cpu time spent up to now is 90.5 secs Computing kpt #: 259 total cpu time spent up to now is 90.8 secs Computing kpt #: 260 total cpu time spent up to now is 91.1 secs Computing kpt #: 261 total cpu time spent up to now is 91.4 secs Computing kpt #: 262 total cpu time spent up to now is 91.7 secs Computing kpt #: 263 total cpu time spent up to now is 92.0 secs Computing kpt #: 264 total cpu time spent up to now is 92.3 secs Computing kpt #: 265 total cpu time spent up to now is 92.6 secs Computing kpt #: 266 total cpu time spent up to now is 92.9 secs Computing kpt #: 267 total cpu time spent up to now is 93.3 secs Computing kpt #: 268 total cpu time spent up to now is 93.8 secs Computing kpt #: 269 total cpu time spent up to now is 94.2 secs Computing kpt #: 270 total cpu time spent up to now is 94.6 secs Computing kpt #: 271 total cpu time spent up to now is 95.0 secs Computing kpt #: 272 total cpu time spent up to now is 95.4 secs Computing kpt #: 273 total cpu time spent up to now is 95.8 secs Computing kpt #: 274 total cpu time spent up to now is 96.2 secs Computing kpt #: 275 total cpu time spent up to now is 96.6 secs Computing kpt #: 276 total cpu time spent up to now is 97.0 secs Computing kpt #: 277 total cpu time spent up to now is 97.4 secs Computing kpt #: 278 total cpu time spent up to now is 97.8 secs Computing kpt #: 279 total cpu time spent up to now is 98.2 secs Computing kpt #: 280 total cpu time spent up to now is 98.6 secs Computing kpt #: 281 total cpu time spent up to now is 99.0 secs Computing kpt #: 282 total cpu time spent up to now is 99.4 secs Computing kpt #: 283 total cpu time spent up to now is 99.8 secs Computing kpt #: 284 total cpu time spent up to now is 100.2 secs Computing kpt #: 285 total cpu time spent up to now is 100.6 secs Computing kpt #: 286 total cpu time spent up to now is 100.9 secs Computing kpt #: 287 total cpu time spent up to now is 101.3 secs Computing kpt #: 288 total cpu time spent up to now is 101.6 secs Computing kpt #: 289 total cpu time spent up to now is 102.0 secs Computing kpt #: 290 total cpu time spent up to now is 102.3 secs Computing kpt #: 291 total cpu time spent up to now is 102.7 secs Computing kpt #: 292 total cpu time spent up to now is 103.0 secs Computing kpt #: 293 total cpu time spent up to now is 103.4 secs Computing kpt #: 294 total cpu time spent up to now is 103.7 secs Computing kpt #: 295 total cpu time spent up to now is 104.1 secs Computing kpt #: 296 total cpu time spent up to now is 104.5 secs Computing kpt #: 297 total cpu time spent up to now is 104.8 secs Computing kpt #: 298 total cpu time spent up to now is 105.2 secs Computing kpt #: 299 total cpu time spent up to now is 105.6 secs Computing kpt #: 300 total cpu time spent up to now is 106.0 secs Computing kpt #: 301 total cpu time spent up to now is 106.3 secs Computing kpt #: 302 total cpu time spent up to now is 106.6 secs Computing kpt #: 303 total cpu time spent up to now is 106.9 secs Computing kpt #: 304 total cpu time spent up to now is 107.4 secs Computing kpt #: 305 total cpu time spent up to now is 107.8 secs Computing kpt #: 306 total cpu time spent up to now is 108.4 secs Computing kpt #: 307 total cpu time spent up to now is 108.7 secs ethr = 2.94E-08, avg # of iterations = 23.8 total cpu time spent up to now is 108.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2553 PWs) bands (ev): 6.6081 6.6081 9.2444 9.2444 9.2444 9.2444 9.4956 9.4956 9.7115 9.7115 9.9000 9.9000 9.9000 9.9000 12.4349 12.4349 12.4349 12.4349 13.2069 13.2069 14.8113 14.8113 14.8113 14.8113 15.7056 15.7056 15.9398 15.9398 16.4205 16.4205 16.4205 16.4205 17.9442 17.9442 17.9442 17.9442 18.7014 18.7014 19.0114 19.0114 19.0114 19.0114 k = 0.0000 0.0125-0.0000 ( 2537 PWs) bands (ev): 6.6102 6.6102 9.2456 9.2456 9.2461 9.2461 9.4969 9.4969 9.7126 9.7126 9.9010 9.9010 9.9013 9.9013 12.4345 12.4345 12.4357 12.4357 13.2071 13.2071 14.8099 14.8099 14.8114 14.8114 15.7038 15.7038 15.9344 15.9344 16.4095 16.4095 16.4171 16.4171 17.9393 17.9393 17.9506 17.9506 18.6815 18.6815 19.0100 19.0100 19.0286 19.0286 k = 0.0000 0.0250-0.0000 ( 2537 PWs) bands (ev): 6.6164 6.6164 9.2490 9.2490 9.2509 9.2509 9.5006 9.5006 9.7160 9.7160 9.9040 9.9040 9.9052 9.9052 12.4333 12.4333 12.4380 12.4380 13.2075 13.2075 14.8056 14.8056 14.8116 14.8116 15.6984 15.6984 15.9178 15.9178 16.3775 16.3775 16.4075 16.4075 17.9232 17.9232 17.9688 17.9688 18.6343 18.6343 19.0059 19.0059 19.0689 19.0689 k = 0.0000 0.0375-0.0000 ( 2537 PWs) bands (ev): 6.6268 6.6268 9.2546 9.2546 9.2590 9.2590 9.5067 9.5067 9.7217 9.7217 9.9091 9.9091 9.9117 9.9117 12.4312 12.4312 12.4417 12.4417 13.2084 13.2084 14.7984 14.7984 14.8118 14.8118 15.6894 15.6894 15.8898 15.8898 16.3265 16.3265 16.3933 16.3933 17.8918 17.8918 17.9964 17.9964 18.5796 18.5796 18.9990 18.9990 19.1159 19.1159 k = 0.0000 0.0500-0.0000 ( 2537 PWs) bands (ev): 6.6414 6.6414 9.2625 9.2625 9.2702 9.2702 9.5153 9.5153 9.7296 9.7296 9.9161 9.9161 9.9209 9.9209 12.4283 12.4283 12.4470 12.4470 13.2097 13.2097 14.7884 14.7884 14.8120 14.8120 15.6766 15.6766 15.8495 15.8495 16.2597 16.2597 16.3763 16.3763 17.8400 17.8400 18.0302 18.0302 18.5301 18.5301 18.9894 18.9894 19.1607 19.1607 k = 0.0000 0.0625-0.0000 ( 2533 PWs) bands (ev): 6.6600 6.6600 9.2725 9.2725 9.2847 9.2847 9.5264 9.5264 9.7397 9.7397 9.9252 9.9252 9.9326 9.9326 12.4243 12.4243 12.4537 12.4537 13.2115 13.2115 14.7755 14.7755 14.8122 14.8122 15.6601 15.6601 15.7969 15.7969 16.1802 16.1802 16.3586 16.3586 17.7647 17.7647 18.0667 18.0667 18.4918 18.4918 18.9771 18.9771 19.1992 19.1992 k = 0.0000 0.0750-0.0000 ( 2537 PWs) bands (ev): 6.6828 6.6828 9.2846 9.2846 9.3022 9.3022 9.5398 9.5398 9.7520 9.7520 9.9364 9.9364 9.9469 9.9469 12.4192 12.4192 12.4619 12.4619 13.2139 13.2139 14.7599 14.7599 14.8121 14.8121 15.6395 15.6395 15.7323 15.7323 16.0910 16.0910 16.3413 16.3413 17.6665 17.6665 18.1024 18.1024 18.4649 18.4649 18.9621 18.9621 19.2298 19.2298 k = 0.0000 0.0875-0.0000 ( 2545 PWs) bands (ev): 6.7096 6.7096 9.2988 9.2988 9.3229 9.3229 9.5557 9.5557 9.7665 9.7665 9.9496 9.9496 9.9638 9.9638 12.4128 12.4128 12.4714 12.4714 13.2170 13.2170 14.7416 14.7416 14.8116 14.8116 15.6147 15.6147 15.6566 15.6566 15.9952 15.9952 16.3252 16.3252 17.5491 17.5491 18.1345 18.1345 18.4457 18.4457 18.9445 18.9445 19.2519 19.2519 k = 0.0000 0.1000-0.0000 ( 2545 PWs) bands (ev): 6.7405 6.7405 9.3148 9.3148 9.3467 9.3467 9.5739 9.5739 9.7830 9.7830 9.9650 9.9650 9.9833 9.9833 12.4051 12.4051 12.4822 12.4822 13.2209 13.2209 14.7207 14.7207 14.8105 14.8105 15.5710 15.5710 15.5850 15.5850 15.8955 15.8955 16.3102 16.3102 17.4169 17.4169 18.1606 18.1606 18.4295 18.4295 18.9244 18.9244 19.2658 19.2658 k = 0.0000 0.1125-0.0000 ( 2545 PWs) bands (ev): 6.7754 6.7754 9.3327 9.3327 9.3734 9.3734 9.5944 9.5944 9.8016 9.8016 9.9826 9.9826 10.0053 10.0053 12.3959 12.3959 12.4942 12.4942 13.2258 13.2258 14.6972 14.6972 14.8082 14.8082 15.4770 15.4770 15.5493 15.5493 15.7951 15.7951 16.2958 16.2958 17.2744 17.2744 18.1790 18.1790 18.4122 18.4122 18.9018 18.9018 19.2718 19.2718 k = 0.0000 0.1250-0.0000 ( 2545 PWs) bands (ev): 6.8143 6.8143 9.3523 9.3523 9.4031 9.4031 9.6172 9.6172 9.8221 9.8221 10.0023 10.0023 10.0299 10.0299 12.3850 12.3850 12.5074 12.5074 13.2318 13.2318 14.6712 14.6712 14.8042 14.8042 15.3761 15.3761 15.5053 15.5053 15.6982 15.6982 16.2810 16.2810 17.1252 17.1252 18.1885 18.1885 18.3909 18.3909 18.8770 18.8770 19.2705 19.2705 k = 0.0000 0.1375-0.0000 ( 2553 PWs) bands (ev): 6.8570 6.8570 9.3735 9.3735 9.4356 9.4356 9.6421 9.6421 9.8445 9.8445 10.0243 10.0243 10.0570 10.0570 12.3724 12.3724 12.5215 12.5215 13.2388 13.2388 14.6429 14.6429 14.7975 14.7975 15.2695 15.2695 15.4493 15.4493 15.6106 15.6106 16.2643 16.2643 16.9731 16.9731 18.1885 18.1885 18.3636 18.3636 18.8499 18.8499 19.2627 19.2627 k = 0.0000 0.1500-0.0000 ( 2565 PWs) bands (ev): 6.9037 6.9037 9.3961 9.3961 9.4709 9.4709 9.6692 9.6692 9.8687 9.8687 10.0485 10.0485 10.0866 10.0866 12.3580 12.3580 12.5367 12.5367 13.2469 13.2469 14.6123 14.6123 14.7864 14.7864 15.1582 15.1582 15.3790 15.3790 15.5370 15.5370 16.2427 16.2427 16.8225 16.8225 18.1787 18.1787 18.3295 18.3295 18.8208 18.8208 19.2487 19.2487 k = 0.0000 0.1625-0.0000 ( 2565 PWs) bands (ev): 6.9541 6.9541 9.4200 9.4200 9.5089 9.5089 9.6984 9.6984 9.8946 9.8946 10.0751 10.0751 10.1188 10.1188 12.3417 12.3417 12.5526 12.5526 13.2561 13.2561 14.5797 14.5797 14.7686 14.7686 15.0433 15.0433 15.2995 15.2995 15.4754 15.4754 16.2106 16.2106 16.6802 16.6802 18.1595 18.1595 18.2881 18.2881 18.7899 18.7899 19.2290 19.2290 k = 0.0000 0.1750-0.0000 ( 2561 PWs) bands (ev): 7.0082 7.0082 9.4450 9.4450 9.5494 9.5494 9.7295 9.7295 9.9222 9.9222 10.1040 10.1040 10.1534 10.1534 12.3235 12.3235 12.5691 12.5691 13.2663 13.2663 14.5450 14.5450 14.7407 14.7407 14.9254 14.9254 15.2208 15.2208 15.4201 15.4201 16.1579 16.1579 16.5576 16.5576 18.1312 18.1312 18.2398 18.2398 18.7573 18.7573 19.2041 19.2041 k = 0.0000 0.1875-0.0000 ( 2553 PWs) bands (ev): 7.0660 7.0660 9.4710 9.4710 9.5924 9.5924 9.7625 9.7625 9.9513 9.9513 10.1354 10.1354 10.1905 10.1905 12.3034 12.3034 12.5860 12.5860 13.2772 13.2772 14.5084 14.5084 14.6988 14.6988 14.8054 14.8054 15.1516 15.1516 15.3670 15.3670 16.0721 16.0721 16.4677 16.4677 18.0946 18.0946 18.1849 18.1849 18.7233 18.7233 19.1744 19.1744 k = 0.0000 0.2000-0.0000 ( 2545 PWs) bands (ev): 7.1273 7.1273 9.4976 9.4976 9.6376 9.6376 9.7972 9.7972 9.9820 9.9820 10.1692 10.1692 10.2301 10.2301 12.2814 12.2814 12.6031 12.6031 13.2886 13.2886 14.4700 14.4700 14.6405 14.6405 14.6838 14.6838 15.0968 15.0968 15.3142 15.3142 15.9525 15.9525 16.4126 16.4126 18.0505 18.0505 18.1243 18.1243 18.6881 18.6881 19.1401 19.1401 k = 0.0000 0.2125-0.0000 ( 2541 PWs) bands (ev): 7.1920 7.1920 9.5248 9.5248 9.6849 9.6849 9.8334 9.8334 10.0141 10.0141 10.2053 10.2053 10.2720 10.2720 12.2576 12.2576 12.6201 12.6201 13.3001 13.3001 14.4292 14.4292 14.5620 14.5620 14.5668 14.5668 15.0562 15.0562 15.2618 15.2618 15.8109 15.8109 16.3808 16.3808 17.9999 17.9999 18.0588 18.0588 18.6519 18.6519 19.1017 19.1017 k = 0.0000 0.2250-0.0000 ( 2549 PWs) bands (ev): 7.2601 7.2601 9.5522 9.5522 9.7341 9.7341 9.8710 9.8710 10.0476 10.0476 10.2439 10.2439 10.3164 10.3164 12.2320 12.2320 12.6368 12.6368 13.3110 13.3110 14.3819 14.3819 14.4445 14.4445 14.4819 14.4819 15.0254 15.0254 15.2108 15.2108 15.6588 15.6588 16.3619 16.3619 17.9437 17.9437 17.9891 17.9891 18.6149 18.6149 19.0596 19.0596 k = 0.0000 0.2375-0.0000 ( 2549 PWs) bands (ev): 7.3314 7.3314 9.5797 9.5797 9.7849 9.7849 9.9098 9.9098 10.0826 10.0826 10.2847 10.2847 10.3632 10.3632 12.2049 12.2049 12.6528 12.6528 13.3203 13.3203 14.2960 14.2960 14.3643 14.3643 14.3910 14.3910 14.9976 14.9976 15.1642 15.1642 15.5029 15.5029 16.3498 16.3498 17.8827 17.8827 17.9161 17.9161 18.5774 18.5774 19.0142 19.0142 k = 0.0000 0.2500-0.0000 ( 2545 PWs) bands (ev): 7.4058 7.4058 9.6069 9.6069 9.8371 9.8371 9.9496 9.9496 10.1190 10.1190 10.3279 10.3279 10.4123 10.4123 12.1763 12.1763 12.6677 12.6677 13.3270 13.3270 14.1762 14.1762 14.2986 14.2986 14.3171 14.3171 14.9651 14.9651 15.1267 15.1267 15.3467 15.3467 16.3417 16.3417 17.8178 17.8178 17.8407 17.8407 18.5397 18.5397 18.9659 18.9659 k = 0.0000 0.2625-0.0000 ( 2553 PWs) bands (ev): 7.4830 7.4830 9.6335 9.6335 9.8904 9.8904 9.9902 9.9902 10.1569 10.1569 10.3733 10.3733 10.4637 10.4637 12.1465 12.1465 12.6810 12.6810 13.3291 13.3291 14.0518 14.0518 14.2087 14.2087 14.2743 14.2743 14.9222 14.9222 15.1019 15.1019 15.1927 15.1927 16.3361 16.3361 17.7500 17.7500 17.7635 17.7635 18.5019 18.5019 18.9153 18.9153 k = 0.0000 0.2750-0.0000 ( 2553 PWs) bands (ev): 7.5630 7.5630 9.6593 9.6593 9.9443 9.9443 10.0313 10.0313 10.1964 10.1964 10.4207 10.4207 10.5174 10.5174 12.1156 12.1156 12.6923 12.6923 13.3244 13.3244 13.9265 13.9265 14.1250 14.1250 14.2328 14.2328 14.8686 14.8686 15.0422 15.0422 15.0889 15.0889 16.3321 16.3321 17.6798 17.6798 17.6854 17.6854 18.4644 18.4644 18.8628 18.8628 k = 0.0000 0.2875-0.0000 ( 2553 PWs) bands (ev): 7.6455 7.6455 9.6839 9.6839 9.9985 9.9985 10.0727 10.0727 10.2375 10.2375 10.4701 10.4701 10.5734 10.5734 12.0838 12.0838 12.7010 12.7010 13.3101 13.3101 13.8014 13.8014 14.0514 14.0514 14.1923 14.1923 14.8074 14.8074 14.8966 14.8966 15.0840 15.0840 16.3293 16.3293 17.6070 17.6070 17.6082 17.6082 18.4274 18.4274 18.8090 18.8090 k = 0.0000 0.3000-0.0000 ( 2553 PWs) bands (ev): 7.7303 7.7303 9.7069 9.7069 10.0525 10.0525 10.1141 10.1141 10.2802 10.2802 10.5214 10.5214 10.6316 10.6316 12.0514 12.0514 12.7063 12.7063 13.2832 13.2832 13.6769 13.6769 13.9911 13.9911 14.1532 14.1532 14.7415 14.7415 14.7569 14.7569 15.0841 15.0841 16.3273 16.3273 17.5290 17.5290 17.5357 17.5357 18.3911 18.3911 18.7544 18.7544 k = 0.0000 0.3125-0.0000 ( 2565 PWs) bands (ev): 7.8171 7.8171 9.7279 9.7279 10.1060 10.1060 10.1551 10.1551 10.3246 10.3246 10.5743 10.5743 10.6920 10.6920 12.0187 12.0187 12.7077 12.7077 13.2418 13.2418 13.5535 13.5535 13.9464 13.9464 14.1156 14.1156 14.6241 14.6241 14.6728 14.6728 15.0873 15.0873 16.3260 16.3260 17.4519 17.4519 17.4631 17.4631 18.3558 18.3558 18.6996 18.6996 k = 0.0000 0.3250-0.0000 ( 2561 PWs) bands (ev): 7.9056 7.9056 9.7465 9.7465 10.1583 10.1583 10.1954 10.1954 10.3703 10.3703 10.6289 10.6289 10.7546 10.7546 11.9860 11.9860 12.7044 12.7044 13.1860 13.1860 13.4320 13.4320 13.9177 13.9177 14.0800 14.0800 14.4991 14.4991 14.6024 14.6024 15.0926 15.0926 16.3252 16.3252 17.3763 17.3763 17.3910 17.3910 18.3217 18.3217 18.6450 18.6450 k = 0.0000 0.3375-0.0000 ( 2561 PWs) bands (ev): 7.9955 7.9955 9.7623 9.7623 10.2093 10.2093 10.2348 10.2348 10.4172 10.4172 10.6849 10.6849 10.8194 10.8194 11.9534 11.9534 12.6956 12.6956 13.1177 13.1177 13.3129 13.3129 13.9029 13.9029 14.0463 14.0463 14.3828 14.3828 14.5313 14.5313 15.0992 15.0992 16.3248 16.3248 17.3028 17.3028 17.3201 17.3201 18.2891 18.2891 18.5913 18.5913 k = 0.0000 0.3500-0.0000 ( 2565 PWs) bands (ev): 8.0863 8.0863 9.7748 9.7748 10.2587 10.2587 10.2728 10.2728 10.4646 10.4646 10.7425 10.7425 10.8862 10.8862 11.9214 11.9214 12.6802 12.6802 13.0400 13.0400 13.1975 13.1975 13.8992 13.8992 14.0143 14.0143 14.2765 14.2765 14.4604 14.4604 15.1067 15.1067 16.3247 16.3247 17.2320 17.2320 17.2509 17.2509 18.2580 18.2580 18.5389 18.5389 k = 0.0000 0.3625-0.0000 ( 2573 PWs) bands (ev): 8.1776 8.1776 9.7836 9.7836 10.3064 10.3064 10.3091 10.3091 10.5116 10.5116 10.8014 10.8014 10.9550 10.9550 11.8903 11.8903 12.6572 12.6572 12.9561 12.9561 13.0872 13.0872 13.9035 13.9035 13.9828 13.9828 14.1820 14.1820 14.3903 14.3903 15.1148 15.1148 16.3249 16.3249 17.1644 17.1644 17.1840 17.1840 18.2288 18.2288 18.4883 18.4883 k = 0.0000 0.3750-0.0000 ( 2569 PWs) bands (ev): 8.2687 8.2687 9.7884 9.7884 10.3435 10.3435 10.3522 10.3522 10.5572 10.5572 10.8618 10.8618 11.0259 11.0259 11.8603 11.8603 12.6250 12.6250 12.8687 12.8687 12.9842 12.9842 13.9130 13.9130 13.9489 13.9489 14.1027 14.1027 14.3219 14.3219 15.1233 15.1233 16.3253 16.3253 17.1004 17.1004 17.1201 17.1201 18.2016 18.2016 18.4402 18.4402 k = 0.0000 0.3875-0.0000 ( 2569 PWs) bands (ev): 8.3591 8.3591 9.7888 9.7888 10.3755 10.3755 10.3961 10.3961 10.6001 10.6001 10.9236 10.9236 11.0987 11.0987 11.8317 11.8317 12.5814 12.5814 12.7800 12.7800 12.8915 12.8915 13.9081 13.9081 13.9259 13.9259 14.0431 14.0431 14.2561 14.2561 15.1318 15.1318 16.3259 16.3259 17.0406 17.0406 17.0597 17.0597 18.1765 18.1765 18.3950 18.3950 k = 0.0000 0.4000-0.0000 ( 2569 PWs) bands (ev): 8.4478 8.4478 9.7846 9.7846 10.4049 10.4049 10.4381 10.4381 10.6393 10.6393 10.9868 10.9868 11.1735 11.1735 11.8045 11.8045 12.5245 12.5245 12.6919 12.6919 12.8122 12.8122 13.8590 13.8590 13.9405 13.9405 14.0047 14.0047 14.1937 14.1937 15.1402 15.1402 16.3265 16.3265 16.9855 16.9855 17.0035 17.0035 18.1537 18.1537 18.3531 18.3531 k = 0.0000 0.4125-0.0000 ( 2569 PWs) bands (ev): 8.5339 8.5339 9.7758 9.7758 10.4314 10.4314 10.4781 10.4781 10.6734 10.6734 11.0511 11.0511 11.2500 11.2500 11.7788 11.7788 12.4541 12.4541 12.6062 12.6062 12.7477 12.7477 13.8068 13.8068 13.9555 13.9555 13.9816 13.9816 14.1356 14.1356 15.1484 15.1484 16.3272 16.3272 16.9355 16.9355 16.9520 16.9520 18.1332 18.1332 18.3149 18.3149 k = 0.0000 0.4250-0.0000 ( 2561 PWs) bands (ev): 8.6160 8.6160 9.7629 9.7629 10.4548 10.4548 10.5158 10.5158 10.7016 10.7016 11.1162 11.1162 11.3284 11.3284 11.7541 11.7541 12.3733 12.3733 12.5246 12.5246 12.6963 12.6963 13.7576 13.7576 13.9674 13.9674 13.9696 13.9696 14.0832 14.0832 15.1560 15.1560 16.3280 16.3280 16.8911 16.8911 16.9059 16.9059 18.1153 18.1153 18.2810 18.2810 k = 0.0000 0.4375-0.0000 ( 2565 PWs) bands (ev): 8.6925 8.6925 9.7465 9.7465 10.4748 10.4748 10.5510 10.5510 10.7233 10.7233 11.1813 11.1813 11.4085 11.4085 11.7300 11.7300 12.2860 12.2860 12.4490 12.4490 12.6555 12.6555 13.7143 13.7143 13.9585 13.9585 13.9812 13.9812 14.0384 14.0384 15.1629 15.1629 16.3287 16.3287 16.8527 16.8527 16.8656 16.8656 18.1000 18.1000 18.2516 18.2516 k = 0.0000 0.4500-0.0000 ( 2573 PWs) bands (ev): 8.7614 8.7614 9.7279 9.7279 10.4914 10.4914 10.5829 10.5829 10.7384 10.7384 11.2452 11.2452 11.4903 11.4903 11.7055 11.7055 12.1956 12.1956 12.3816 12.3816 12.6231 12.6231 13.6782 13.6782 13.9530 13.9530 13.9804 13.9804 14.0112 14.0112 15.1689 15.1689 16.3293 16.3293 16.8207 16.8207 16.8319 16.8319 18.0874 18.0874 18.2271 18.2271 k = 0.0000 0.4625-0.0000 ( 2573 PWs) bands (ev): 8.8201 8.8201 9.7090 9.7090 10.5044 10.5044 10.6108 10.6108 10.7473 10.7473 11.3059 11.3059 11.5738 11.5738 11.6802 11.6802 12.1043 12.1043 12.3251 12.3251 12.5981 12.5981 13.6498 13.6498 13.9496 13.9496 13.9571 13.9571 14.0123 14.0123 15.1738 15.1738 16.3299 16.3299 16.7954 16.7954 16.8050 16.8050 18.0775 18.0775 18.2078 18.2078 k = 0.0000 0.4750-0.0000 ( 2565 PWs) bands (ev): 8.8655 8.8655 9.6924 9.6924 10.5137 10.5137 10.6334 10.6334 10.7511 10.7511 11.3599 11.3599 11.6544 11.6544 11.6588 11.6588 12.0131 12.0131 12.2821 12.2821 12.5802 12.5802 13.6294 13.6294 13.9351 13.9351 13.9477 13.9477 14.0179 14.0179 15.1774 15.1774 16.3303 16.3303 16.7772 16.7772 16.7856 16.7856 18.0704 18.0704 18.1938 18.1938 k = 0.0000 0.4875-0.0000 ( 2560 PWs) bands (ev): 8.8944 8.8944 9.6809 9.6809 10.5193 10.5193 10.6486 10.6486 10.7518 10.7518 11.4006 11.4006 11.6320 11.6320 11.7452 11.7452 11.9228 11.9228 12.2552 12.2552 12.5694 12.5694 13.6171 13.6171 13.9213 13.9213 13.9467 13.9467 14.0219 14.0219 15.1796 15.1796 16.3305 16.3305 16.7662 16.7662 16.7737 16.7737 18.0661 18.0661 18.1853 18.1853 k = 0.0000 0.5000-0.0000 ( 2560 PWs) bands (ev): 8.9044 8.9044 9.6767 9.6767 10.5212 10.5212 10.6541 10.6541 10.7516 10.7516 11.4166 11.4166 11.6223 11.6223 11.8273 11.8273 11.8394 11.8394 12.2460 12.2460 12.5658 12.5658 13.6130 13.6130 13.9166 13.9166 13.9464 13.9464 14.0233 14.0233 15.1804 15.1804 16.3306 16.3306 16.7625 16.7625 16.7698 16.7698 18.0647 18.0647 18.1825 18.1825 k = 0.0000 0.5000-0.0000 ( 2560 PWs) bands (ev): 8.9044 8.9044 9.6767 9.6767 10.5212 10.5212 10.6541 10.6541 10.7516 10.7516 11.4166 11.4166 11.6223 11.6223 11.8273 11.8273 11.8394 11.8394 12.2460 12.2460 12.5658 12.5658 13.6130 13.6130 13.9166 13.9166 13.9464 13.9464 14.0233 14.0233 15.1804 15.1804 16.3306 16.3306 16.7625 16.7625 16.7698 16.7698 18.0647 18.0647 18.1825 18.1825 k = 0.0125 0.5000-0.0000 ( 2560 PWs) bands (ev): 8.9059 8.9059 9.6781 9.6781 10.5222 10.5222 10.6548 10.6548 10.7525 10.7525 11.4163 11.4163 11.6230 11.6230 11.8254 11.8254 11.8400 11.8400 12.2444 12.2444 12.5658 12.5658 13.6085 13.6085 13.9175 13.9175 13.9485 13.9485 14.0258 14.0258 15.1772 15.1772 16.3215 16.3215 16.7671 16.7671 16.7756 16.7756 18.0639 18.0639 18.1839 18.1839 k = 0.0250 0.5000-0.0000 ( 2568 PWs) bands (ev): 8.9105 8.9105 9.6823 9.6823 10.5254 10.5254 10.6569 10.6569 10.7554 10.7554 11.4152 11.4152 11.6249 11.6249 11.8206 11.8206 11.8410 11.8410 12.2400 12.2400 12.5659 12.5659 13.5954 13.5954 13.9199 13.9199 13.9538 13.9538 14.0338 14.0338 15.1679 15.1679 16.2956 16.2956 16.7776 16.7776 16.7946 16.7946 18.0614 18.0614 18.1880 18.1880 k = 0.0375 0.5000-0.0000 ( 2574 PWs) bands (ev): 8.9181 8.9181 9.6893 9.6893 10.5308 10.5308 10.6604 10.6604 10.7602 10.7602 11.4135 11.4135 11.6281 11.6281 11.8137 11.8137 11.8416 11.8416 12.2328 12.2328 12.5660 12.5660 13.5755 13.5755 13.9232 13.9232 13.9607 13.9607 14.0478 14.0478 15.1527 15.1527 16.2569 16.2569 16.7929 16.7929 16.8238 16.8238 18.0571 18.0571 18.1948 18.1948 k = 0.0500 0.5000-0.0000 ( 2570 PWs) bands (ev): 8.9287 8.9287 9.6991 9.6991 10.5382 10.5382 10.6654 10.6654 10.7668 10.7668 11.4112 11.4112 11.6325 11.6325 11.8051 11.8051 11.8415 11.8415 12.2235 12.2235 12.5658 12.5658 13.5504 13.5504 13.9271 13.9271 13.9676 13.9676 14.0676 14.0676 15.1321 15.1321 16.2089 16.2089 16.8133 16.8133 16.8589 16.8589 18.0509 18.0509 18.2045 18.2045 k = 0.0625 0.5000-0.0000 ( 2566 PWs) bands (ev): 8.9423 8.9423 9.7115 9.7115 10.5478 10.5478 10.6718 10.6718 10.7752 10.7752 11.4083 11.4083 11.6378 11.6378 11.7949 11.7949 11.8408 11.8408 12.2125 12.2125 12.5651 12.5651 13.5217 13.5217 13.9311 13.9311 13.9744 13.9744 14.0922 14.0922 15.1066 15.1066 16.1546 16.1546 16.8382 16.8382 16.8971 16.8971 18.0427 18.0427 18.2168 18.2168 k = 0.0750 0.5000-0.0000 ( 2558 PWs) bands (ev): 8.9588 8.9588 9.7266 9.7266 10.5593 10.5593 10.6796 10.6796 10.7854 10.7854 11.4049 11.4049 11.6440 11.6440 11.7831 11.7831 11.8395 11.8395 12.2003 12.2003 12.5638 12.5638 13.4905 13.4905 13.9348 13.9348 13.9812 13.9812 14.1200 14.1200 15.0768 15.0768 16.0956 16.0956 16.8671 16.8671 16.9364 16.9364 18.0326 18.0326 18.2318 18.2318 k = 0.0875 0.5000-0.0000 ( 2562 PWs) bands (ev): 8.9784 8.9784 9.7441 9.7441 10.5729 10.5729 10.6888 10.6888 10.7971 10.7971 11.4011 11.4011 11.6505 11.6505 11.7699 11.7699 11.8378 11.8378 12.1874 12.1874 12.5618 12.5618 13.4576 13.4576 13.9379 13.9379 13.9887 13.9887 14.1494 14.1494 15.0436 15.0436 16.0333 16.0333 16.8992 16.8992 16.9759 16.9759 18.0206 18.0206 18.2491 18.2491 k = 0.1000 0.5000-0.0000 ( 2558 PWs) bands (ev): 9.0008 9.0008 9.7642 9.7642 10.5884 10.5884 10.6994 10.6994 10.8104 10.8104 11.3969 11.3969 11.6568 11.6568 11.7559 11.7559 11.8360 11.8360 12.1743 12.1743 12.5590 12.5590 13.4235 13.4235 13.9403 13.9403 13.9967 13.9967 14.1793 14.1793 15.0076 15.0076 15.9686 15.9686 16.9338 16.9338 17.0148 17.0148 18.0068 18.0068 18.2686 18.2686 k = 0.1125 0.5000-0.0000 ( 2556 PWs) bands (ev): 9.0260 9.0260 9.7865 9.7865 10.6058 10.6058 10.7112 10.7112 10.8251 10.8251 11.3925 11.3925 11.6614 11.6614 11.7423 11.7423 11.8344 11.8344 12.1612 12.1612 12.5556 12.5556 13.3886 13.3886 13.9421 13.9421 14.0053 14.0053 14.2087 14.2087 14.9695 14.9695 15.9020 15.9020 16.9704 16.9704 17.0525 17.0525 17.9912 17.9912 18.2897 18.2897 k = 0.1250 0.5000-0.0000 ( 2548 PWs) bands (ev): 9.0541 9.0541 9.8110 9.8110 10.6250 10.6250 10.7244 10.7244 10.8410 10.8410 11.3880 11.3880 11.6615 11.6615 11.7319 11.7319 11.8331 11.8331 12.1484 12.1484 12.5516 12.5516 13.3532 13.3532 13.9434 13.9434 14.0139 14.0139 14.2365 14.2365 14.9300 14.9300 15.8341 15.8341 17.0082 17.0082 17.0889 17.0889 17.9741 17.9741 18.3122 18.3122 k = 0.1375 0.5000-0.0000 ( 2552 PWs) bands (ev): 9.0850 9.0850 9.8375 9.8375 10.6460 10.6460 10.7388 10.7388 10.8579 10.8579 11.3836 11.3836 11.6536 11.6536 11.7283 11.7283 11.8325 11.8325 12.1361 12.1361 12.5472 12.5472 13.3176 13.3176 13.9443 13.9443 14.0222 14.0222 14.2618 14.2618 14.8902 14.8902 15.7653 15.7653 17.0468 17.0468 17.1237 17.1237 17.9556 17.9556 18.3356 18.3356 k = 0.1500 0.5000-0.0000 ( 2552 PWs) bands (ev): 9.1185 9.1185 9.8658 9.8658 10.6686 10.6686 10.7545 10.7545 10.8757 10.8757 11.3794 11.3794 11.6375 11.6375 11.7316 11.7316 11.8327 11.8327 12.1242 12.1242 12.5427 12.5427 13.2819 13.2819 13.9451 13.9451 14.0296 14.0296 14.2835 14.2835 14.8507 14.8507 15.6959 15.6959 17.0857 17.0857 17.1568 17.1568 17.9358 17.9358 18.3594 18.3594 k = 0.1625 0.5000-0.0000 ( 2560 PWs) bands (ev): 9.1547 9.1547 9.8958 9.8958 10.6927 10.6927 10.7713 10.7713 10.8942 10.8942 11.3757 11.3757 11.6162 11.6162 11.7390 11.7390 11.8341 11.8341 12.1127 12.1127 12.5384 12.5384 13.2464 13.2464 13.9457 13.9457 14.0359 14.0359 14.3002 14.3002 14.8128 14.8128 15.6263 15.6263 17.1245 17.1245 17.1881 17.1881 17.9151 17.9151 18.3832 18.3832 k = 0.1750 0.5000-0.0000 ( 2556 PWs) bands (ev): 9.1934 9.1934 9.9271 9.9271 10.7182 10.7182 10.7892 10.7892 10.9131 10.9131 11.3726 11.3726 11.5918 11.5918 11.7481 11.7481 11.8369 11.8369 12.1017 12.1017 12.5344 12.5344 13.2111 13.2111 13.9463 13.9463 14.0406 14.0406 14.3107 14.3107 14.7775 14.7775 15.5568 15.5568 17.1629 17.1629 17.2175 17.2175 17.8935 17.8935 18.4063 18.4063 k = 0.1875 0.5000-0.0000 ( 2552 PWs) bands (ev): 9.2345 9.2345 9.9595 9.9595 10.7449 10.7449 10.8081 10.8081 10.9322 10.9322 11.3704 11.3704 11.5659 11.5659 11.7577 11.7577 11.8414 11.8414 12.0911 12.0911 12.5310 12.5310 13.1763 13.1763 13.9467 13.9467 14.0434 14.0434 14.3135 14.3135 14.7460 14.7460 15.4878 15.4878 17.2007 17.2007 17.2452 17.2452 17.8714 17.8714 18.4282 18.4282 k = 0.2000 0.5000-0.0000 ( 2554 PWs) bands (ev): 9.2780 9.2780 9.9928 9.9928 10.7727 10.7727 10.8279 10.8279 10.9513 10.9513 11.3693 11.3693 11.5391 11.5391 11.7670 11.7670 11.8478 11.8478 12.0808 12.0808 12.5286 12.5286 13.1422 13.1422 13.9468 13.9468 14.0442 14.0442 14.3075 14.3075 14.7193 14.7193 15.4194 15.4194 17.2377 17.2377 17.2710 17.2710 17.8490 17.8490 18.4481 18.4481 k = 0.2125 0.5000-0.0000 ( 2558 PWs) bands (ev): 9.3238 9.3238 10.0265 10.0265 10.8012 10.8012 10.8485 10.8485 10.9702 10.9702 11.3694 11.3694 11.5122 11.5122 11.7753 11.7753 11.8565 11.8565 12.0709 12.0709 12.5274 12.5274 13.1090 13.1090 13.9463 13.9463 14.0429 14.0429 14.2923 14.2923 14.6975 14.6975 15.3521 15.3521 17.2738 17.2738 17.2950 17.2950 17.8267 17.8267 18.4654 18.4654 k = 0.2250 0.5000-0.0000 ( 2562 PWs) bands (ev): 9.3716 9.3716 10.0605 10.0605 10.8303 10.8303 10.8699 10.8699 10.9888 10.9888 11.3708 11.3708 11.4858 11.4858 11.7825 11.7825 11.8674 11.8674 12.0615 12.0615 12.5274 12.5274 13.0769 13.0769 13.9448 13.9448 14.0396 14.0396 14.2683 14.2683 14.6799 14.6799 15.2861 15.2861 17.3089 17.3089 17.3173 17.3173 17.8047 17.8047 18.4793 18.4793 k = 0.2375 0.5000-0.0000 ( 2562 PWs) bands (ev): 9.4215 9.4215 10.0943 10.0943 10.8595 10.8595 10.8917 10.8917 11.0070 11.0070 11.3732 11.3732 11.4606 11.4606 11.7885 11.7885 11.8802 11.8802 12.0525 12.0525 12.5290 12.5290 13.0462 13.0462 13.9416 13.9416 14.0347 14.0347 14.2371 14.2371 14.6649 14.6649 15.2218 15.2218 17.3375 17.3375 17.3434 17.3434 17.7835 17.7835 18.4887 18.4887 k = 0.2500 0.5000-0.0000 ( 2562 PWs) bands (ev): 9.4732 9.4732 10.1277 10.1277 10.8885 10.8885 10.9139 10.9139 11.0248 11.0248 11.3761 11.3761 11.4379 11.4379 11.7934 11.7934 11.8945 11.8945 12.0443 12.0443 12.5322 12.5322 13.0172 13.0172 13.9358 13.9358 14.0285 14.0285 14.2006 14.2006 14.6508 14.6508 15.1594 15.1594 17.3566 17.3566 17.3764 17.3764 17.7632 17.7632 18.4921 18.4921 k = 0.2625 0.5000-0.0000 ( 2562 PWs) bands (ev): 9.5265 9.5265 10.1601 10.1601 10.9165 10.9165 10.9364 10.9364 11.0423 11.0423 11.3775 11.3775 11.4200 11.4200 11.7972 11.7972 11.9101 11.9101 12.0370 12.0370 12.5369 12.5369 12.9904 12.9904 13.9263 13.9263 14.0209 14.0209 14.1614 14.1614 14.6358 14.6358 15.0993 15.0993 17.3739 17.3739 17.4086 17.4086 17.7443 17.7443 18.4871 18.4871 k = 0.2750 0.5000-0.0000 ( 2564 PWs) bands (ev): 9.5814 9.5814 10.1913 10.1913 10.9430 10.9430 10.9589 10.9589 11.0596 11.0596 11.3731 11.3731 11.4118 11.4118 11.8001 11.8001 11.9262 11.9262 12.0310 12.0310 12.5430 12.5430 12.9660 12.9660 13.9123 13.9123 14.0103 14.0103 14.1233 14.1233 14.6185 14.6185 15.0416 15.0416 17.3898 17.3898 17.4399 17.4399 17.7272 17.7272 18.4689 18.4689 k = 0.2875 0.5000-0.0000 ( 2564 PWs) bands (ev): 9.6375 9.6375 10.2210 10.2210 10.9672 10.9672 10.9808 10.9808 11.0769 11.0769 11.3633 11.3633 11.4134 11.4134 11.8020 11.8020 11.9423 11.9423 12.0270 12.0270 12.5504 12.5504 12.9449 12.9449 13.8937 13.8937 13.9919 13.9919 14.0926 14.0926 14.5980 14.5980 14.9865 14.9865 17.4042 17.4042 17.4701 17.4701 17.7120 17.7120 18.4304 18.4304 k = 0.3000 0.5000-0.0000 ( 2564 PWs) bands (ev): 9.6947 9.6947 10.2487 10.2487 10.9890 10.9890 11.0009 11.0009 11.0946 11.0946 11.3543 11.3543 11.4196 11.4196 11.8029 11.8029 11.9574 11.9574 12.0258 12.0258 12.5585 12.5585 12.9276 12.9276 13.8706 13.8706 13.9608 13.9608 14.0747 14.0747 14.5737 14.5737 14.9339 14.9339 17.4172 17.4172 17.4994 17.4994 17.6990 17.6990 18.3699 18.3699 k = 0.3125 0.5000-0.0000 ( 2568 PWs) bands (ev): 9.7527 9.7527 10.2744 10.2744 11.0072 11.0072 11.0186 11.0186 11.1132 11.1132 11.3497 11.3497 11.4272 11.4272 11.8029 11.8029 11.9699 11.9699 12.0287 12.0287 12.5667 12.5667 12.9153 12.9153 13.8436 13.8436 13.9192 13.9192 14.0678 14.0678 14.5457 14.5457 14.8836 14.8836 17.4290 17.4290 17.5276 17.5276 17.6886 17.6886 18.2957 18.2957 k = 0.3250 0.5000-0.0000 ( 2564 PWs) bands (ev): 9.8112 9.8112 10.2977 10.2977 11.0183 11.0183 11.0361 11.0361 11.1332 11.1332 11.3510 11.3510 11.4351 11.4351 11.8019 11.8019 11.9789 11.9789 12.0367 12.0367 12.5741 12.5741 12.9088 12.9088 13.8132 13.8132 13.8725 13.8725 14.0666 14.0666 14.5144 14.5144 14.8352 14.8352 17.4395 17.4395 17.5546 17.5546 17.6808 17.6808 18.2167 18.2167 k = 0.3375 0.5000-0.0000 ( 2564 PWs) bands (ev): 9.8700 9.8700 10.3187 10.3187 11.0206 11.0206 11.0548 11.0548 11.1546 11.1546 11.3582 11.3582 11.4428 11.4428 11.8000 11.8000 11.9847 11.9847 12.0492 12.0492 12.5798 12.5798 12.9095 12.9095 13.7802 13.7802 13.8240 13.8240 14.0678 14.0678 14.4804 14.4804 14.7885 14.7885 17.4489 17.4489 17.5803 17.5803 17.6758 17.6758 18.1381 18.1381 k = 0.3500 0.5000-0.0000 ( 2568 PWs) bands (ev): 9.9287 9.9287 10.3372 10.3372 11.0159 11.0159 11.0739 11.0739 11.1768 11.1768 11.3706 11.3706 11.4500 11.4500 11.7973 11.7973 11.9892 11.9892 12.0641 12.0641 12.5831 12.5831 12.9180 12.9180 13.7448 13.7448 13.7757 13.7757 14.0695 14.0695 14.4449 14.4449 14.7429 14.7429 17.4571 17.4571 17.6043 17.6043 17.6738 17.6738 18.0623 18.0623 k = 0.3625 0.5000-0.0000 ( 2562 PWs) bands (ev): 9.9869 9.9869 10.3534 10.3534 11.0058 11.0058 11.0932 11.0932 11.1989 11.1989 11.3867 11.3867 11.4566 11.4566 11.7937 11.7937 11.9936 11.9936 12.0798 12.0798 12.5835 12.5835 12.9349 12.9349 13.7076 13.7076 13.7288 13.7288 14.0703 14.0703 14.4090 14.4090 14.6984 14.6984 17.4641 17.4641 17.6261 17.6261 17.6747 17.6747 17.9910 17.9910 k = 0.3750 0.5000-0.0000 ( 2562 PWs) bands (ev): 10.0442 10.0442 10.3673 10.3673 10.9920 10.9920 11.1126 11.1126 11.2201 11.2201 11.4048 11.4048 11.4630 11.4630 11.7894 11.7894 11.9987 11.9987 12.0952 12.0952 12.5814 12.5814 12.9597 12.9597 13.6684 13.6684 13.6849 13.6849 14.0687 14.0687 14.3740 14.3740 14.6552 14.6552 17.4700 17.4700 17.6446 17.6446 17.6789 17.6789 17.9260 17.9260 k = 0.3875 0.5000-0.0000 ( 2558 PWs) bands (ev): 10.1001 10.1001 10.3792 10.3792 10.9756 10.9756 11.1320 11.1320 11.2399 11.2399 11.4226 11.4226 11.4701 11.4701 11.7845 11.7845 12.0047 12.0047 12.1097 12.1097 12.5773 12.5773 12.9916 12.9916 13.6281 13.6281 13.6446 13.6446 14.0630 14.0630 14.3416 14.3416 14.6134 14.6134 17.4745 17.4745 17.6578 17.6578 17.6865 17.6865 17.8693 17.8693 k = 0.4000 0.5000-0.0000 ( 2550 PWs) bands (ev): 10.1540 10.1540 10.3894 10.3894 10.9575 10.9575 11.1514 11.1514 11.2576 11.2576 11.4373 11.4373 11.4797 11.4797 11.7791 11.7791 12.0118 12.0118 12.1229 12.1229 12.5719 12.5719 13.0297 13.0297 13.5885 13.5885 13.6072 13.6072 14.0514 14.0514 14.3136 14.3136 14.5736 14.5736 17.4776 17.4776 17.6634 17.6634 17.6967 17.6967 17.8247 17.8247 k = 0.4125 0.5000-0.0000 ( 2550 PWs) bands (ev): 10.2051 10.2051 10.3981 10.3981 10.9384 10.9384 11.1704 11.1704 11.2726 11.2726 11.4467 11.4467 11.4936 11.4936 11.7733 11.7733 12.0196 12.0196 12.1344 12.1344 12.5659 12.5659 13.0725 13.0725 13.5513 13.5513 13.5725 13.5725 14.0324 14.0324 14.2915 14.2915 14.5366 14.5366 17.4791 17.4791 17.6585 17.6585 17.7074 17.7074 17.7972 17.7972 k = 0.4250 0.5000-0.0000 ( 2550 PWs) bands (ev): 10.2526 10.2526 10.4059 10.4059 10.9189 10.9189 11.1891 11.1891 11.2847 11.2847 11.4515 11.4515 11.5103 11.5103 11.7672 11.7672 12.0280 12.0280 12.1441 12.1441 12.5599 12.5599 13.1187 13.1187 13.5172 13.5172 13.5408 13.5408 14.0059 14.0059 14.2758 14.2758 14.5032 14.5032 17.4786 17.4786 17.6421 17.6421 17.7185 17.7185 17.7882 17.7882 k = 0.4375 0.5000-0.0000 ( 2546 PWs) bands (ev): 10.2952 10.2952 10.4134 10.4134 10.8995 10.8995 11.2070 11.2070 11.2935 11.2935 11.4536 11.4536 11.5276 11.5276 11.7610 11.7610 12.0365 12.0365 12.1519 12.1519 12.5544 12.5544 13.1666 13.1666 13.4864 13.4864 13.5132 13.5132 13.9730 13.9730 14.2656 14.2656 14.4739 14.4739 17.4760 17.4760 17.6207 17.6207 17.7300 17.7300 17.7910 17.7910 k = 0.4500 0.5000-0.0000 ( 2554 PWs) bands (ev): 10.3311 10.3311 10.4213 10.4213 10.8811 10.8811 11.2238 11.2238 11.2990 11.2990 11.4545 11.4545 11.5437 11.5437 11.7550 11.7550 12.0447 12.0447 12.1578 12.1578 12.5496 12.5496 13.2144 13.2144 13.4586 13.4586 13.4909 13.4909 13.9365 13.9365 14.2597 14.2597 14.4494 14.4494 17.4713 17.4713 17.6011 17.6011 17.7414 17.7414 17.7987 17.7987 k = 0.4625 0.5000-0.0000 ( 2550 PWs) bands (ev): 10.3580 10.3580 10.4309 10.4309 10.8645 10.8645 11.2393 11.2393 11.3011 11.3011 11.4547 11.4547 11.5576 11.5576 11.7496 11.7496 12.0519 12.0519 12.1620 12.1620 12.5459 12.5459 13.2599 13.2599 13.4333 13.4333 13.4748 13.4748 13.9000 13.9000 14.2564 14.2564 14.4302 14.4302 17.4651 17.4651 17.5862 17.5862 17.7515 17.7515 17.8078 17.8078 k = 0.4750 0.5000-0.0000 ( 2544 PWs) bands (ev): 10.3750 10.3750 10.4418 10.4418 10.8511 10.8511 11.2526 11.2526 11.3004 11.3004 11.4547 11.4547 11.5683 11.5683 11.7452 11.7452 12.0575 12.0575 12.1648 12.1648 12.5431 12.5431 13.3005 13.3005 13.4102 13.4102 13.4652 13.4652 13.8680 13.8680 14.2547 14.2547 14.4163 14.4163 17.4590 17.4590 17.5765 17.5765 17.7594 17.7594 17.8162 17.8162 k = 0.4875 0.5000-0.0000 ( 2544 PWs) bands (ev): 10.3835 10.3835 10.4509 10.4509 10.8423 10.8423 11.2627 11.2627 11.2980 11.2980 11.4546 11.4546 11.5751 11.5751 11.7422 11.7422 12.0612 12.0612 12.1663 12.1663 12.5415 12.5415 13.3341 13.3341 13.3883 13.3883 13.4609 13.4609 13.8455 13.8455 14.2540 14.2540 14.4080 14.4080 17.4546 17.4546 17.5713 17.5713 17.7644 17.7644 17.8222 17.8222 k = 0.5000 0.5000-0.0000 ( 2544 PWs) bands (ev): 10.3861 10.3861 10.4545 10.4545 10.8392 10.8392 11.2667 11.2667 11.2965 11.2965 11.4546 11.4546 11.5774 11.5774 11.7412 11.7412 12.0625 12.0625 12.1667 12.1667 12.5410 12.5410 13.3551 13.3551 13.3715 13.3715 13.4598 13.4598 13.8373 13.8373 14.2537 14.2537 14.4052 14.4052 17.4530 17.4530 17.5696 17.5696 17.7661 17.7661 17.8244 17.8244 k = 0.5000 0.5000-0.0000 ( 2544 PWs) bands (ev): 10.3861 10.3861 10.4545 10.4545 10.8392 10.8392 11.2667 11.2667 11.2965 11.2965 11.4546 11.4546 11.5774 11.5774 11.7412 11.7412 12.0625 12.0625 12.1667 12.1667 12.5410 12.5410 13.3551 13.3551 13.3715 13.3715 13.4598 13.4598 13.8373 13.8373 14.2537 14.2537 14.4052 14.4052 17.4530 17.4530 17.5696 17.5696 17.7661 17.7661 17.8244 17.8244 k = 0.4911 0.4911-0.0000 ( 2544 PWs) bands (ev): 10.3832 10.3832 10.4512 10.4512 10.8423 10.8423 11.2626 11.2626 11.2980 11.2980 11.4547 11.4547 11.5750 11.5750 11.7422 11.7422 12.0612 12.0612 12.1663 12.1663 12.5415 12.5415 13.3340 13.3340 13.3884 13.3884 13.4608 13.4608 13.8457 13.8457 14.2539 14.2539 14.4081 14.4081 17.4547 17.4547 17.5713 17.5713 17.7644 17.7644 17.8221 17.8222 k = 0.4821 0.4821-0.0000 ( 2544 PWs) bands (ev): 10.3708 10.3708 10.4461 10.4461 10.8507 10.8507 11.2528 11.2528 11.3000 11.3000 11.4550 11.4550 11.5683 11.5683 11.7447 11.7447 12.0572 12.0572 12.1650 12.1650 12.5435 12.5435 13.3014 13.3014 13.4094 13.4094 13.4641 13.4641 13.8695 13.8695 14.2542 14.2542 14.4169 14.4169 17.4596 17.4596 17.5763 17.5763 17.7592 17.7592 17.8160 17.8160 k = 0.4732 0.4732-0.0000 ( 2542 PWs) bands (ev): 10.3423 10.3423 10.4478 10.4478 10.8619 10.8619 11.2402 11.2402 11.2996 11.2996 11.4559 11.4559 11.5579 11.5579 11.7475 11.7475 12.0502 12.0502 12.1636 12.1636 12.5474 12.5474 13.2633 13.2633 13.4305 13.4305 13.4707 13.4707 13.9054 13.9054 14.2539 14.2539 14.4321 14.4321 17.4673 17.4673 17.5850 17.5850 17.7509 17.7509 17.8073 17.8073 k = 0.4643 0.4643-0.0000 ( 2558 PWs) bands (ev): 10.2986 10.2986 10.4577 10.4577 10.8732 10.8732 11.2264 11.2264 11.2956 11.2956 11.4578 11.4578 11.5448 11.5448 11.7493 11.7493 12.0396 12.0396 12.1629 12.1629 12.5542 12.5542 13.2216 13.2216 13.4516 13.4516 13.4822 13.4822 13.9494 13.9494 14.2527 14.2527 14.4541 14.4541 17.4772 17.4772 17.5974 17.5974 17.7402 17.7402 17.7973 17.7973 k = 0.4554 0.4554-0.0000 ( 2554 PWs) bands (ev): 10.2437 10.2437 10.4736 10.4736 10.8821 10.8821 11.2122 11.2122 11.2880 11.2880 11.4600 11.4600 11.5299 11.5299 11.7490 11.7490 12.0244 12.0244 12.1645 12.1645 12.5645 12.5645 13.1781 13.1781 13.4708 13.4708 13.5011 13.5011 13.9979 13.9979 14.2510 14.2510 14.4827 14.4827 17.4884 17.4884 17.6139 17.6139 17.7280 17.7280 17.7870 17.7870 k = 0.4464 0.4464-0.0000 ( 2550 PWs) bands (ev): 10.1804 10.1804 10.4940 10.4940 10.8866 10.8866 11.1978 11.1978 11.2775 11.2775 11.4610 11.4610 11.5146 11.5146 11.7465 11.7465 12.0042 12.0042 12.1696 12.1696 12.5790 12.5790 13.1344 13.1344 13.4879 13.4879 13.5281 13.5281 14.0469 14.0469 14.2509 14.2509 14.5174 14.5174 17.4997 17.4997 17.6341 17.6341 17.7157 17.7157 17.7772 17.7772 k = 0.4375 0.4375-0.0000 ( 2550 PWs) bands (ev): 10.1103 10.1103 10.5177 10.5177 10.8855 10.8855 11.1831 11.1831 11.2649 11.2649 11.4571 11.4571 11.5022 11.5022 11.7420 11.7420 11.9798 11.9798 12.1783 12.1783 12.5978 12.5978 13.0919 13.0919 13.5048 13.5048 13.5607 13.5607 14.0902 14.0902 14.2573 14.2573 14.5572 14.5572 17.5098 17.5098 17.6568 17.6568 17.7051 17.7051 17.7695 17.7695 k = 0.4286 0.4286-0.0000 ( 2562 PWs) bands (ev): 10.0346 10.0346 10.5437 10.5437 10.8784 10.8784 11.1676 11.1676 11.2508 11.2508 11.4439 11.4439 11.4962 11.4962 11.7358 11.7358 11.9531 11.9531 12.1902 12.1902 12.6210 12.6210 13.0518 13.0518 13.5229 13.5229 13.5974 13.5974 14.1191 14.1191 14.2785 14.2785 14.6011 14.6011 17.5177 17.5177 17.6759 17.6759 17.7000 17.7000 17.7675 17.7675 k = 0.4196 0.4196-0.0000 ( 2558 PWs) bands (ev): 9.9542 9.9542 10.5707 10.5707 10.8656 10.8656 11.1505 11.1505 11.2354 11.2354 11.4230 11.4230 11.4946 11.4946 11.7277 11.7277 11.9272 11.9272 12.2046 12.2046 12.6484 12.6484 13.0154 13.0154 13.5425 13.5425 13.6373 13.6373 14.1292 14.1292 14.3187 14.3187 14.6482 14.6482 17.5222 17.5222 17.6778 17.6778 17.7077 17.7077 17.7792 17.7792 k = 0.4107 0.4107-0.0000 ( 2566 PWs) bands (ev): 9.8698 9.8698 10.5970 10.5970 10.8482 10.8482 11.1315 11.1315 11.2182 11.2182 11.3981 11.3981 11.4934 11.4934 11.7163 11.7163 11.9065 11.9065 12.2205 12.2205 12.6799 12.6799 12.9836 12.9836 13.5636 13.5636 13.6797 13.6797 14.1262 14.1262 14.3723 14.3723 14.6978 14.6978 17.5227 17.5227 17.6709 17.6709 17.7163 17.7163 17.8088 17.8088 k = 0.4018 0.4018-0.0000 ( 2570 PWs) bands (ev): 9.7818 9.7818 10.6200 10.6200 10.8281 10.8281 11.1106 11.1106 11.1981 11.1981 11.3713 11.3713 11.4905 11.4905 11.7000 11.7000 11.8948 11.8948 12.2376 12.2376 12.7150 12.7150 12.9577 12.9577 13.5862 13.5862 13.7240 13.7240 14.1167 14.1167 14.4326 14.4326 14.7489 14.7489 17.5194 17.5194 17.6612 17.6612 17.7253 17.7253 17.8504 17.8504 k = 0.3929 0.3929-0.0000 ( 2570 PWs) bands (ev): 9.6909 9.6909 10.6362 10.6362 10.8074 10.8074 11.0881 11.0881 11.1743 11.1743 11.3439 11.3439 11.4852 11.4852 11.6792 11.6792 11.8936 11.8936 12.2560 12.2560 12.7528 12.7528 12.9391 12.9391 13.6101 13.6101 13.7695 13.7695 14.1048 14.1048 14.4963 14.4963 14.8009 14.8009 17.5130 17.5130 17.6499 17.6499 17.7382 17.7382 17.8994 17.8994 k = 0.3839 0.3839-0.0000 ( 2566 PWs) bands (ev): 9.5973 9.5973 10.6412 10.6412 10.7886 10.7886 11.0642 11.0642 11.1462 11.1462 11.3167 11.3167 11.4774 11.4774 11.6570 11.6570 11.9007 11.9007 12.2762 12.2762 12.7916 12.7916 12.9300 12.9300 13.6351 13.6351 13.8150 13.8150 14.0932 14.0932 14.5616 14.5616 14.8533 14.8533 17.5043 17.5043 17.6378 17.6378 17.7551 17.7551 17.9534 17.9534 k = 0.3750 0.3750-0.0000 ( 2562 PWs) bands (ev): 9.5017 9.5017 10.6324 10.6324 10.7723 10.7723 11.0387 11.0387 11.1137 11.1137 11.2899 11.2899 11.4677 11.4677 11.6381 11.6381 11.9126 11.9126 12.2997 12.2997 12.8268 12.8268 12.9350 12.9350 13.6611 13.6611 13.8588 13.8588 14.0847 14.0847 14.6274 14.6274 14.9055 14.9055 17.4943 17.4943 17.6262 17.6262 17.7755 17.7755 18.0115 18.0115 k = 0.3661 0.3661-0.0000 ( 2564 PWs) bands (ev): 9.4042 9.4042 10.6111 10.6111 10.7556 10.7556 11.0107 11.0107 11.0774 11.0774 11.2624 11.2624 11.4570 11.4570 11.6273 11.6273 11.9257 11.9257 12.3277 12.3277 12.8520 12.8520 12.9602 12.9602 13.6878 13.6878 13.8973 13.8973 14.0834 14.0834 14.6933 14.6933 14.9570 14.9570 17.4836 17.4836 17.6158 17.6158 17.7987 17.7987 18.0731 18.0731 k = 0.3571 0.3571-0.0000 ( 2568 PWs) bands (ev): 9.3052 9.3052 10.5812 10.5812 10.7347 10.7347 10.9787 10.9787 11.0380 11.0380 11.2324 11.2324 11.4457 11.4457 11.6291 11.6291 11.9376 11.9376 12.3614 12.3614 12.8681 12.8681 13.0043 13.0043 13.7148 13.7148 13.9256 13.9256 14.0950 14.0950 14.7587 14.7587 15.0075 15.0075 17.4730 17.4730 17.6072 17.6072 17.8240 17.8240 18.1378 18.1378 k = 0.3482 0.3482-0.0000 ( 2568 PWs) bands (ev): 9.2051 9.2051 10.5457 10.5457 10.7075 10.7075 10.9418 10.9418 10.9961 10.9961 11.1979 11.1979 11.4321 11.4321 11.6475 11.6475 11.9473 11.9473 12.4010 12.4010 12.8820 12.8820 13.0599 13.0599 13.7417 13.7417 13.9411 13.9411 14.1231 14.1231 14.8233 14.8233 15.0566 15.0566 17.4628 17.4628 17.6009 17.6009 17.8512 17.8512 18.2052 18.2052 k = 0.3393 0.3393-0.0000 ( 2562 PWs) bands (ev): 9.1041 9.1041 10.5069 10.5069 10.6741 10.6741 10.8994 10.8994 10.9528 10.9528 11.1587 11.1587 11.4137 11.4137 11.6844 11.6844 11.9552 11.9552 12.4455 12.4455 12.8982 12.8982 13.1220 13.1220 13.7680 13.7680 13.9480 13.9480 14.1646 14.1646 14.8865 14.8865 15.1041 15.1041 17.4539 17.4539 17.5973 17.5973 17.8797 17.8797 18.2751 18.2751 k = 0.3304 0.3304-0.0000 ( 2562 PWs) bands (ev): 9.0026 9.0026 10.4658 10.4658 10.6352 10.6352 10.8521 10.8521 10.9087 10.9087 11.1152 11.1152 11.3890 11.3890 11.7383 11.7383 11.9623 11.9623 12.4928 12.4928 12.9187 12.9187 13.1880 13.1880 13.7928 13.7928 13.9528 13.9528 14.2144 14.2144 14.9480 14.9480 15.1500 15.1500 17.4468 17.4468 17.5967 17.5967 17.9095 17.9095 18.3470 18.3470 k = 0.3214 0.3214-0.0000 ( 2570 PWs) bands (ev): 8.9008 8.9008 10.4232 10.4232 10.5920 10.5920 10.8007 10.8007 10.8640 10.8640 11.0687 11.0687 11.3577 11.3577 11.8060 11.8060 11.9703 11.9703 12.5403 12.5403 12.9453 12.9453 13.2560 13.2560 13.8158 13.8158 13.9609 13.9609 14.2687 14.2687 15.0072 15.0072 15.1944 15.1944 17.4420 17.4420 17.5993 17.5993 17.9402 17.9402 18.4209 18.4209 k = 0.3125 0.3125-0.0000 ( 2572 PWs) bands (ev): 8.7990 8.7990 10.3795 10.3795 10.5456 10.5456 10.7462 10.7462 10.8190 10.8190 11.0202 11.0202 11.3202 11.3202 11.8827 11.8827 11.9821 11.9821 12.5849 12.5849 12.9795 12.9795 13.3237 13.3237 13.8378 13.8378 13.9751 13.9751 14.3259 14.3259 15.0636 15.0636 15.2377 15.2377 17.4401 17.4401 17.6053 17.6053 17.9716 17.9716 18.4964 18.4964 k = 0.3036 0.3036-0.0000 ( 2578 PWs) bands (ev): 8.6974 8.6974 10.3350 10.3350 10.4966 10.4966 10.6897 10.6897 10.7736 10.7736 10.9704 10.9704 11.2771 11.2771 11.9520 11.9520 12.0128 12.0128 12.6238 12.6238 13.0224 13.0224 13.3881 13.3881 13.8615 13.8615 13.9962 13.9962 14.3848 14.3848 15.1165 15.1165 15.2806 15.2806 17.4414 17.4414 17.6151 17.6151 18.0037 18.0037 18.5734 18.5734 k = 0.2946 0.2946-0.0000 ( 2582 PWs) bands (ev): 8.5962 8.5962 10.2899 10.2899 10.4459 10.4459 10.6318 10.6318 10.7279 10.7279 10.9198 10.9198 11.2290 11.2290 11.9824 11.9824 12.0923 12.0923 12.6554 12.6554 13.0742 13.0742 13.4462 13.4462 13.8912 13.8912 14.0235 14.0235 14.4449 14.4449 15.1651 15.1651 15.3239 15.3239 17.4459 17.4459 17.6289 17.6289 18.0361 18.0361 18.6516 18.6516 k = 0.2857 0.2857-0.0000 ( 2580 PWs) bands (ev): 8.4957 8.4957 10.2444 10.2444 10.3939 10.3939 10.5734 10.5734 10.6821 10.6821 10.8689 10.8689 11.1766 11.1766 11.9996 11.9996 12.1938 12.1938 12.6794 12.6794 13.1336 13.1336 13.4951 13.4951 13.9309 13.9309 14.0562 14.0562 14.5056 14.5056 15.2093 15.2093 15.3684 15.3684 17.4537 17.4537 17.6473 17.6473 18.0688 18.0688 18.7308 18.7308 k = 0.2768 0.2768-0.0000 ( 2584 PWs) bands (ev): 8.3961 8.3961 10.1986 10.1986 10.3412 10.3412 10.5148 10.5148 10.6362 10.6362 10.8180 10.8180 11.1208 11.1208 12.0161 12.0161 12.3037 12.3037 12.6968 12.6968 13.1977 13.1977 13.5345 13.5345 13.9812 13.9812 14.0948 14.0948 14.5668 14.5668 15.2493 15.2493 15.4145 15.4145 17.4643 17.4643 17.6705 17.6705 18.1014 18.1014 18.8108 18.8108 k = 0.2679 0.2679-0.0000 ( 2584 PWs) bands (ev): 8.2975 8.2975 10.1526 10.1526 10.2880 10.2880 10.4565 10.4565 10.5903 10.5903 10.7674 10.7674 11.0623 11.0623 12.0335 12.0335 12.4186 12.4186 12.7092 12.7092 13.2622 13.2622 13.5682 13.5682 14.0378 14.0378 14.1418 14.1418 14.6281 14.6281 15.2865 15.2865 15.4621 15.4621 17.4775 17.4775 17.6990 17.6990 18.1340 18.1340 18.8914 18.8914 k = 0.2589 0.2589-0.0000 ( 2572 PWs) bands (ev): 8.2003 8.2003 10.1065 10.1065 10.2346 10.2346 10.3990 10.3990 10.5446 10.5446 10.7172 10.7172 11.0016 11.0016 12.0521 12.0521 12.5350 12.5350 12.7202 12.7202 13.3211 13.3211 13.6031 13.6031 14.0927 14.0927 14.2013 14.2013 14.6891 14.6891 15.3227 15.3227 15.5106 15.5106 17.4929 17.4929 17.7330 17.7330 18.1661 18.1661 18.9723 18.9724 k = 0.2500 0.2500-0.0000 ( 2556 PWs) bands (ev): 8.1046 8.1046 10.0604 10.0604 10.1814 10.1814 10.3424 10.3424 10.4990 10.4990 10.6677 10.6677 10.9394 10.9394 12.0719 12.0719 12.6386 12.6386 12.7444 12.7444 13.3677 13.3677 13.6477 13.6477 14.1411 14.1411 14.2739 14.2739 14.7495 14.7495 15.3603 15.3603 15.5596 15.5596 17.5099 17.5099 17.7727 17.7727 18.1978 18.1978 19.0533 19.0533 k = 0.2411 0.2411-0.0000 ( 2566 PWs) bands (ev): 8.0106 8.0106 10.0144 10.0144 10.1286 10.1286 10.2870 10.2870 10.4537 10.4537 10.6190 10.6190 10.8763 10.8763 12.0926 12.0926 12.6827 12.6827 12.8284 12.8284 13.3979 13.3979 13.7075 13.7075 14.1842 14.1842 14.3541 14.3541 14.8090 14.8090 15.4022 15.4022 15.6085 15.6085 17.5283 17.5283 17.8180 17.8180 18.2287 18.2287 19.1337 19.1337 k = 0.2321 0.2321-0.0000 ( 2574 PWs) bands (ev): 7.9184 7.9184 9.9685 9.9685 10.0762 10.0762 10.2332 10.2332 10.4089 10.4089 10.5712 10.5712 10.8127 10.8127 12.1140 12.1140 12.6880 12.6880 12.9511 12.9511 13.4140 13.4140 13.7816 13.7816 14.2246 14.2246 14.4362 14.4362 14.8670 14.8670 15.4511 15.4511 15.6568 15.6568 17.5478 17.5478 17.8685 17.8685 18.2587 18.2587 19.2127 19.2127 k = 0.2232 0.2232-0.0000 ( 2566 PWs) bands (ev): 7.8283 7.8283 9.9229 9.9229 10.0244 10.0244 10.1809 10.1809 10.3645 10.3645 10.5245 10.5245 10.7493 10.7493 12.1359 12.1359 12.6843 12.6843 13.0813 13.0813 13.4220 13.4220 13.8657 13.8657 14.2636 14.2636 14.5156 14.5156 14.9233 14.9233 15.5096 15.5096 15.7045 15.7045 17.5684 17.5684 17.9238 17.9238 18.2875 18.2875 19.2883 19.2883 k = 0.2143 0.2143-0.0000 ( 2566 PWs) bands (ev): 7.7403 7.7403 9.8777 9.8777 9.9734 9.9734 10.1305 10.1305 10.3206 10.3206 10.4789 10.4789 10.6865 10.6865 12.1582 12.1582 12.6768 12.6768 13.2087 13.2087 13.4311 13.4311 13.9559 13.9559 14.3019 14.3019 14.5891 14.5891 14.9778 14.9778 15.5798 15.5798 15.7513 15.7513 17.5900 17.5900 17.9833 17.9833 18.3149 18.3149 19.3548 19.3548 k = 0.2054 0.2054-0.0000 ( 2562 PWs) bands (ev): 7.6548 7.6548 9.8330 9.8330 9.9233 9.9233 10.0818 10.0818 10.2775 10.2775 10.4347 10.4347 10.6246 10.6246 12.1805 12.1805 12.6671 12.6671 13.3090 13.3090 13.4663 13.4663 14.0494 14.0494 14.3401 14.3401 14.6551 14.6551 15.0307 15.0307 15.6625 15.6625 15.7974 15.7974 17.6125 17.6125 18.0465 18.0465 18.3407 18.3407 19.4035 19.4035 k = 0.1964 0.1964-0.0000 ( 2562 PWs) bands (ev): 7.5717 7.5717 9.7890 9.7890 9.8741 9.8741 10.0351 10.0351 10.2351 10.2351 10.3917 10.3917 10.5640 10.5640 12.2027 12.2027 12.6559 12.6559 13.3457 13.3457 13.5650 13.5650 14.1438 14.1438 14.3788 14.3788 14.7128 14.7128 15.0823 15.0823 15.7568 15.7568 15.8436 15.8436 17.6359 17.6359 18.1128 18.1128 18.3645 18.3645 19.4361 19.4361 k = 0.1875 0.1875-0.0000 ( 2564 PWs) bands (ev): 7.4913 7.4913 9.7458 9.7458 9.8259 9.8259 9.9902 9.9902 10.1936 10.1936 10.3502 10.3502 10.5052 10.5052 12.2245 12.2245 12.6434 12.6434 13.3475 13.3475 13.6988 13.6988 14.2366 14.2366 14.4190 14.4190 14.7634 14.7634 15.1330 15.1330 15.8534 15.8534 15.8981 15.8981 17.6603 17.6603 18.1813 18.1813 18.3860 18.3860 19.4596 19.4596 k = 0.1786 0.1786-0.0000 ( 2564 PWs) bands (ev): 7.4137 7.4137 9.7036 9.7036 9.7789 9.7789 9.9473 9.9473 10.1530 10.1530 10.3103 10.3103 10.4484 10.4484 12.2459 12.2459 12.6302 12.6302 13.3397 13.3397 13.8424 13.8424 14.3238 14.3238 14.4630 14.4630 14.8088 14.8088 15.1828 15.1828 15.9150 15.9150 15.9964 15.9964 17.6856 17.6856 18.2515 18.2515 18.4051 18.4051 19.4769 19.4769 k = 0.1696 0.1696-0.0000 ( 2560 PWs) bands (ev): 7.3390 7.3390 9.6626 9.6626 9.7331 9.7331 9.9062 9.9062 10.1135 10.1135 10.2719 10.2719 10.3939 10.3939 12.2665 12.2665 12.6164 12.6164 13.3285 13.3285 13.9893 13.9893 14.3990 14.3990 14.5148 14.5148 14.8525 14.8525 15.2317 15.2317 15.9580 15.9580 16.1203 16.1203 17.7117 17.7117 18.3225 18.3225 18.4214 18.4214 19.4891 19.4891 k = 0.1607 0.1607-0.0000 ( 2566 PWs) bands (ev): 7.2674 7.2674 9.6229 9.6229 9.6886 9.6886 9.8669 9.8669 10.0753 10.0753 10.2351 10.2351 10.3419 10.3419 12.2862 12.2862 12.6022 12.6022 13.3161 13.3161 14.1368 14.1368 14.4574 14.4574 14.5765 14.5765 14.8990 14.8990 15.2794 15.2794 15.9972 15.9972 16.2529 16.2529 17.7387 17.7387 18.3935 18.3935 18.4348 18.4348 19.4964 19.4964 k = 0.1518 0.1518-0.0000 ( 2564 PWs) bands (ev): 7.1989 7.1989 9.5846 9.5846 9.6455 9.6455 9.8294 9.8294 10.0383 10.0383 10.2000 10.2000 10.2927 10.2927 12.3050 12.3050 12.5878 12.5878 13.3033 13.3033 14.2824 14.2824 14.5022 14.5022 14.6417 14.6417 14.9534 14.9534 15.3257 15.3257 16.0342 16.0342 16.3908 16.3908 17.7665 17.7665 18.4416 18.4416 18.4671 18.4671 19.4989 19.4989 k = 0.1429 0.1429-0.0000 ( 2556 PWs) bands (ev): 7.1338 7.1338 9.5479 9.5479 9.6041 9.6041 9.7937 9.7937 10.0029 10.0029 10.1667 10.1667 10.2463 10.2463 12.3225 12.3225 12.5734 12.5734 13.2907 13.2907 14.4227 14.4227 14.5395 14.5395 14.7037 14.7037 15.0199 15.0199 15.3704 15.3704 16.0695 16.0695 16.5321 16.5321 17.7951 17.7951 18.4482 18.4482 18.5359 18.5359 19.4967 19.4967 k = 0.1339 0.1339-0.0000 ( 2560 PWs) bands (ev): 7.0721 7.0721 9.5128 9.5128 9.5642 9.5642 9.7598 9.7598 9.9689 9.9689 10.1352 10.1352 10.2029 10.2029 12.3388 12.3388 12.5592 12.5592 13.2786 13.2786 14.5486 14.5486 14.5736 14.5736 14.7657 14.7657 15.0995 15.0995 15.4132 15.4132 16.1032 16.1032 16.6750 16.6750 17.8244 17.8244 18.4495 18.4495 18.6037 18.6037 19.4897 19.4897 k = 0.1250 0.1250-0.0000 ( 2556 PWs) bands (ev): 7.0138 7.0138 9.4796 9.4796 9.5261 9.5261 9.7276 9.7276 9.9367 9.9367 10.1055 10.1055 10.1626 10.1626 12.3538 12.3538 12.5453 12.5453 13.2672 13.2672 14.6017 14.6017 14.6480 14.6480 14.8440 14.8440 15.1900 15.1900 15.4541 15.4541 16.1352 16.1352 16.8182 16.8182 17.8545 17.8545 18.4463 18.4463 18.6689 18.6689 19.4781 19.4781 k = 0.1161 0.1161-0.0000 ( 2560 PWs) bands (ev): 6.9592 6.9592 9.4483 9.4483 9.4899 9.4899 9.6972 9.6972 9.9064 9.9064 10.0777 10.0777 10.1253 10.1253 12.3673 12.3673 12.5318 12.5318 13.2568 13.2568 14.6300 14.6300 14.7054 14.7054 14.9500 14.9500 15.2884 15.2884 15.4930 15.4930 16.1658 16.1658 16.9602 16.9602 17.8853 17.8853 18.4385 18.4385 18.7306 18.7306 19.4621 19.4621 k = 0.1071 0.1071-0.0000 ( 2560 PWs) bands (ev): 6.9083 6.9083 9.4190 9.4190 9.4558 9.4558 9.6688 9.6688 9.8780 9.8780 10.0518 10.0518 10.0910 10.0910 12.3794 12.3794 12.5188 12.5188 13.2475 13.2475 14.6560 14.6560 14.7375 14.7375 15.0706 15.0706 15.3922 15.3922 15.5303 15.5303 16.1950 16.1950 17.0994 17.0994 17.9169 17.9169 18.4261 18.4261 18.7880 18.7880 19.4418 19.4418 k = 0.0982 0.0982-0.0000 ( 2550 PWs) bands (ev): 6.8611 6.8611 9.3918 9.3918 9.4237 9.4237 9.6422 9.6422 9.8517 9.8517 10.0279 10.0279 10.0597 10.0597 12.3901 12.3901 12.5064 12.5064 13.2393 13.2393 14.6801 14.6801 14.7575 14.7575 15.1921 15.1921 15.4987 15.4987 15.5670 15.5670 16.2228 16.2228 17.2342 17.2342 17.9491 17.9491 18.4099 18.4099 18.8401 18.8401 19.4175 19.4175 k = 0.0893 0.0893-0.0000 ( 2546 PWs) bands (ev): 6.8178 6.8178 9.3667 9.3667 9.3940 9.3940 9.6176 9.6176 9.8275 9.8275 10.0059 10.0059 10.0314 10.0314 12.3993 12.3993 12.4948 12.4948 13.2322 13.2322 14.7023 14.7023 14.7713 14.7713 15.3075 15.3075 15.5883 15.5883 15.6222 15.6222 16.2493 16.2493 17.3625 17.3625 17.9818 17.9818 18.3910 18.3910 18.8862 18.8862 19.3896 19.3896 k = 0.0804 0.0804-0.0000 ( 2544 PWs) bands (ev): 6.7784 6.7784 9.3438 9.3438 9.3666 9.3666 9.5950 9.5950 9.8056 9.8056 9.9859 9.9859 10.0060 10.0060 12.4073 12.4073 12.4840 12.4840 13.2262 13.2262 14.7226 14.7226 14.7814 14.7814 15.4124 15.4124 15.6282 15.6282 15.7285 15.7285 16.2746 16.2746 17.4820 17.4820 18.0137 18.0137 18.3723 18.3723 18.9254 18.9254 19.3584 19.3584 k = 0.0714 0.0714-0.0000 ( 2540 PWs) bands (ev): 6.7429 6.7429 9.3232 9.3232 9.3417 9.3417 9.5746 9.5746 9.7859 9.7859 9.9680 9.9680 9.9835 9.9835 12.4140 12.4140 12.4741 12.4741 13.2212 13.2212 14.7408 14.7408 14.7891 14.7891 15.5026 15.5026 15.6645 15.6645 15.8405 15.8405 16.2988 16.2988 17.5900 17.5900 18.0420 18.0420 18.3589 18.3589 18.9573 18.9573 19.3240 19.3240 k = 0.0625 0.0625-0.0000 ( 2536 PWs) bands (ev): 6.7115 6.7115 9.3049 9.3049 9.3194 9.3194 9.5564 9.5564 9.7684 9.7684 9.9522 9.9522 9.9637 9.9637 12.4195 12.4195 12.4652 12.4652 13.2172 13.2172 14.7571 14.7571 14.7951 14.7951 15.5731 15.5731 15.7060 15.7060 15.9511 15.9511 16.3219 16.3219 17.6837 17.6837 18.0605 18.0605 18.3595 18.3595 18.9817 18.9817 19.2868 19.2868 k = 0.0536 0.0536-0.0000 ( 2536 PWs) bands (ev): 6.6842 6.6842 9.2890 9.2890 9.2998 9.2998 9.5405 9.5405 9.7533 9.7533 9.9384 9.9384 9.9467 9.9467 12.4240 12.4240 12.4574 12.4574 13.2140 13.2140 14.7714 14.7714 14.7999 14.7999 15.6215 15.6215 15.7550 15.7550 16.0572 16.0572 16.3438 16.3438 17.7613 17.7613 18.0622 18.0622 18.3829 18.3829 18.9986 18.9986 19.2467 19.2467 k = 0.0446 0.0446-0.0000 ( 2534 PWs) bands (ev): 6.6610 6.6610 9.2754 9.2754 9.2831 9.2831 9.5269 9.5269 9.7405 9.7405 9.9267 9.9267 9.9323 9.9323 12.4276 12.4276 12.4506 12.4506 13.2115 13.2115 14.7835 14.7835 14.8036 14.8036 15.6529 15.6529 15.8062 15.8062 16.1558 16.1558 16.3641 16.3641 17.8228 17.8228 18.0468 18.0468 18.4301 18.4301 19.0088 19.0088 19.2039 19.2039 k = 0.0357 0.0357-0.0000 ( 2538 PWs) bands (ev): 6.6420 6.6420 9.2643 9.2643 9.2693 9.2693 9.5157 9.5157 9.7301 9.7301 9.9171 9.9171 9.9207 9.9207 12.4304 12.4304 12.4450 12.4450 13.2097 13.2097 14.7935 14.7935 14.8065 14.8065 15.6739 15.6739 15.8526 15.8526 16.2436 16.2436 16.3825 16.3825 17.8694 17.8694 18.0210 18.0210 18.4933 18.4933 19.0135 19.0135 19.1584 19.1584 k = 0.0268 0.0268-0.0000 ( 2538 PWs) bands (ev): 6.6272 6.6272 9.2556 9.2556 9.2585 9.2585 9.5069 9.5069 9.7219 9.7219 9.9096 9.9096 9.9116 9.9116 12.4324 12.4324 12.4406 12.4406 13.2084 13.2084 14.8013 14.8013 14.8087 14.8087 15.6885 15.6885 15.8903 15.8903 16.3172 16.3172 16.3981 16.3981 17.9033 17.9033 17.9925 17.9925 18.5628 18.5628 19.0144 19.0144 19.1111 19.1111 k = 0.0179 0.0179-0.0000 ( 2538 PWs) bands (ev): 6.6166 6.6166 9.2494 9.2494 9.2507 9.2507 9.5007 9.5007 9.7161 9.7161 9.9043 9.9043 9.9052 9.9052 12.4338 12.4338 12.4375 12.4375 13.2076 13.2076 14.8069 14.8069 14.8102 14.8102 15.6982 15.6982 15.9177 15.9177 16.3733 16.3733 16.4102 16.4102 17.9264 17.9264 17.9673 17.9673 18.6292 18.6292 19.0134 19.0134 19.0650 19.0650 k = 0.0089 0.0089-0.0000 ( 2538 PWs) bands (ev): 6.6102 6.6102 9.2457 9.2457 9.2460 9.2460 9.4969 9.4969 9.7126 9.7126 9.9011 9.9011 9.9013 9.9013 12.4347 12.4347 12.4356 12.4356 13.2071 13.2071 14.8102 14.8102 14.8110 14.8110 15.7038 15.7038 15.9343 15.9343 16.4084 16.4084 16.4178 16.4178 17.9398 17.9398 17.9502 17.9502 18.6808 18.6808 19.0120 19.0120 19.0271 19.0271 k = 0.0000 0.0000 0.0000 ( 2553 PWs) bands (ev): 6.6081 6.6081 9.2444 9.2444 9.2444 9.2444 9.4956 9.4956 9.7115 9.7115 9.9000 9.9000 9.9000 9.9000 12.4349 12.4349 12.4349 12.4349 13.2069 13.2069 14.8113 14.8113 14.8113 14.8113 15.7056 15.7056 15.9398 15.9398 16.4205 16.4205 16.4205 16.4205 17.9442 17.9442 17.9442 17.9442 18.7014 18.7014 19.0114 19.0114 19.0114 19.0114 k = 0.0000 0.0000 0.0000 ( 2553 PWs) bands (ev): 6.6081 6.6081 9.2444 9.2444 9.2444 9.2444 9.4956 9.4956 9.7115 9.7115 9.9000 9.9000 9.9000 9.9000 12.4349 12.4349 12.4349 12.4349 13.2069 13.2069 14.8113 14.8113 14.8113 14.8113 15.7056 15.7056 15.9398 15.9398 16.4205 16.4205 16.4205 16.4205 17.9442 17.9442 17.9442 17.9442 18.7014 18.7014 19.0114 19.0114 19.0114 19.0114 k = 0.0072 0.0072 0.0072 ( 2538 PWs) bands (ev): 6.6102 6.6102 9.2457 9.2457 9.2460 9.2460 9.4969 9.4969 9.7126 9.7126 9.9011 9.9011 9.9013 9.9013 12.4347 12.4347 12.4355 12.4355 13.2071 13.2071 14.8105 14.8105 14.8108 14.8108 15.7038 15.7038 15.9343 15.9343 16.4083 16.4083 16.4181 16.4181 17.9400 17.9400 17.9500 17.9500 18.6809 18.6809 19.0128 19.0128 19.0262 19.0262 k = 0.0145 0.0145 0.0145 ( 2538 PWs) bands (ev): 6.6165 6.6165 9.2495 9.2495 9.2505 9.2505 9.5006 9.5006 9.7161 9.7161 9.9043 9.9043 9.9050 9.9050 12.4341 12.4341 12.4372 12.4372 13.2075 13.2075 14.8078 14.8078 14.8093 14.8093 15.6982 15.6982 15.9181 15.9181 16.3728 16.3728 16.4112 16.4112 17.9275 17.9275 17.9668 17.9668 18.6285 18.6285 19.0169 19.0169 19.0619 19.0619 k = 0.0217 0.0217 0.0217 ( 2538 PWs) bands (ev): 6.6270 6.6270 9.2558 9.2558 9.2580 9.2580 9.5068 9.5068 9.7218 9.7218 9.9097 9.9097 9.9113 9.9113 12.4330 12.4330 12.4401 12.4401 13.2084 13.2084 14.8034 14.8034 14.8067 14.8067 15.6885 15.6885 15.8913 15.8913 16.3161 16.3161 16.4000 16.4000 17.9068 17.9068 17.9922 17.9922 18.5581 18.5581 19.0234 19.0234 19.1047 19.1047 k = 0.0290 0.0290 0.0290 ( 2538 PWs) bands (ev): 6.6416 6.6416 9.2646 9.2646 9.2684 9.2684 9.5154 9.5154 9.7299 9.7299 9.9172 9.9172 9.9201 9.9201 12.4314 12.4314 12.4440 12.4440 13.2097 13.2097 14.7972 14.7972 14.8030 14.8030 15.6740 15.6740 15.8549 15.8549 16.2413 16.2413 16.3850 16.3850 17.8778 17.8778 18.0233 18.0233 18.4784 18.4784 19.0318 19.0318 19.1466 19.1466 k = 0.0362 0.0362 0.0362 ( 2532 PWs) bands (ev): 6.6604 6.6604 9.2758 9.2758 9.2819 9.2819 9.5265 9.5265 9.7403 9.7403 9.9269 9.9269 9.9314 9.9314 12.4292 12.4292 12.4490 12.4490 13.2115 13.2115 14.7893 14.7893 14.7983 14.7983 15.6531 15.6531 15.8103 15.8103 16.1515 16.1515 16.3670 16.3670 17.8400 17.8400 18.0574 18.0574 18.3948 18.3948 19.0411 19.0411 19.1833 19.1833 k = 0.0435 0.0435 0.0435 ( 2535 PWs) bands (ev): 6.6833 6.6833 9.2894 9.2894 9.2982 9.2982 9.5398 9.5398 9.7530 9.7530 9.9388 9.9388 9.9453 9.9453 12.4263 12.4263 12.4551 12.4551 13.2139 13.2139 14.7796 14.7796 14.7923 14.7923 15.6231 15.6231 15.7605 15.7605 16.0497 16.0497 16.3467 16.3467 17.7925 17.7925 18.0917 18.0917 18.3113 18.3113 19.0501 19.0501 19.2119 19.2119 k = 0.0507 0.0507 0.0507 ( 2544 PWs) bands (ev): 6.7102 6.7102 9.3053 9.3053 9.3173 9.3173 9.5555 9.5555 9.7681 9.7681 9.9528 9.9528 9.9617 9.9617 12.4226 12.4226 12.4621 12.4621 13.2170 13.2170 14.7683 14.7683 14.7850 14.7850 15.5794 15.5794 15.7104 15.7104 15.9386 15.9386 16.3246 16.3246 17.7340 17.7340 18.1242 18.1242 18.2318 18.2318 19.0575 19.0575 19.2306 19.2306 k = 0.0580 0.0580 0.0580 ( 2544 PWs) bands (ev): 6.7412 6.7412 9.3233 9.3233 9.3392 9.3392 9.5733 9.5733 9.7856 9.7856 9.9689 9.9689 9.9808 9.9808 12.4180 12.4180 12.4701 12.4701 13.2210 13.2210 14.7552 14.7552 14.7763 14.7763 15.5182 15.5182 15.6644 15.6644 15.8205 15.8205 16.3015 16.3015 17.6630 17.6630 18.1537 18.1537 18.1593 18.1593 19.0615 19.0615 19.2379 19.2379 k = 0.0652 0.0652 0.0652 ( 2544 PWs) bands (ev): 6.7761 6.7761 9.3435 9.3435 9.3639 9.3639 9.5933 9.5933 9.8056 9.8056 9.9873 9.9873 10.0024 10.0024 12.4125 12.4125 12.4789 12.4789 13.2259 13.2259 14.7404 14.7404 14.7658 14.7658 15.4405 15.4405 15.6219 15.6219 15.6972 15.6972 16.2781 16.2781 17.5792 17.5792 18.0959 18.0959 18.1793 18.1793 19.0605 19.0605 19.2331 19.2331 k = 0.0725 0.0725 0.0725 ( 2544 PWs) bands (ev): 6.8150 6.8150 9.3656 9.3656 9.3912 9.3912 9.6152 9.6152 9.8281 9.8281 10.0078 10.0078 10.0267 10.0267 12.4059 12.4059 12.4885 12.4885 13.2318 13.2318 14.7239 14.7239 14.7531 14.7531 15.3501 15.3501 15.5708 15.5708 15.5801 15.5801 16.2547 16.2547 17.4833 17.4833 18.0418 18.0418 18.2006 18.2006 19.0528 19.0528 19.2160 19.2160 k = 0.0797 0.0797 0.0797 ( 2544 PWs) bands (ev): 6.8576 6.8576 9.3896 9.3896 9.4210 9.4210 9.6390 9.6390 9.8531 9.8531 10.0305 10.0305 10.0537 10.0537 12.3982 12.3982 12.4988 12.4988 13.2389 13.2389 14.7057 14.7057 14.7373 14.7373 15.2504 15.2504 15.4430 15.4430 15.5362 15.5362 16.2320 16.2320 17.3775 17.3775 17.9960 17.9960 18.2174 18.2174 19.0374 19.0374 19.1871 19.1871 k = 0.0870 0.0870 0.0870 ( 2556 PWs) bands (ev): 6.9040 6.9040 9.4152 9.4152 9.4532 9.4532 9.6644 9.6644 9.8807 9.8807 10.0554 10.0554 10.0834 10.0834 12.3892 12.3892 12.5097 12.5097 13.2471 13.2471 14.6855 14.6855 14.7170 14.7170 15.1438 15.1438 15.3163 15.3163 15.4892 15.4892 16.2101 16.2101 17.2639 17.2639 17.9571 17.9571 18.2296 18.2296 19.0137 19.0137 19.1471 19.1471 k = 0.0942 0.0942 0.0942 ( 2556 PWs) bands (ev): 6.9540 6.9540 9.4424 9.4424 9.4877 9.4877 9.6915 9.6915 9.9110 9.9110 10.0825 10.0825 10.1158 10.1158 12.3791 12.3791 12.5212 12.5212 13.2565 13.2565 14.6630 14.6630 14.6898 14.6898 15.0323 15.0323 15.1940 15.1940 15.4383 15.4383 16.1894 16.1894 17.1447 17.1447 17.9234 17.9234 18.2373 18.2373 18.9817 18.9817 19.0972 19.0972 k = 0.1014 0.1014 0.1014 ( 2563 PWs) bands (ev): 7.0076 7.0076 9.4711 9.4711 9.5243 9.5243 9.7199 9.7199 9.9440 9.9440 10.1119 10.1119 10.1509 10.1509 12.3678 12.3678 12.5330 12.5330 13.2670 13.2670 14.6375 14.6375 14.6512 14.6512 14.9180 14.9180 15.0812 15.0812 15.3834 15.3834 16.1700 16.1700 17.0217 17.0217 17.8939 17.8939 18.2404 18.2404 18.9422 18.9422 19.0389 19.0389 k = 0.1087 0.1087 0.1087 ( 2569 PWs) bands (ev): 7.0646 7.0646 9.5009 9.5009 9.5628 9.5628 9.7496 9.7496 9.9797 9.9797 10.1436 10.1436 10.1889 10.1889 12.3553 12.3553 12.5451 12.5451 13.2785 13.2785 14.5949 14.5949 14.6063 14.6063 14.8047 14.8047 14.9847 14.9847 15.3245 15.3245 16.1519 16.1519 16.8964 16.8964 17.8676 17.8676 18.2389 18.2389 18.8964 18.8964 18.9734 18.9734 k = 0.1159 0.1159 0.1159 ( 2563 PWs) bands (ev): 7.1248 7.1248 9.5318 9.5318 9.6032 9.6032 9.7803 9.7803 10.0182 10.0182 10.1775 10.1775 10.2296 10.2296 12.3417 12.3417 12.5575 12.5575 13.2909 13.2909 14.5159 14.5159 14.5611 14.5611 14.7016 14.7016 14.9102 14.9102 15.2619 15.2619 16.1349 16.1349 16.7698 16.7698 17.8438 17.8438 18.2324 18.2324 18.8459 18.8459 18.9020 18.9020 k = 0.1232 0.1232 0.1232 ( 2563 PWs) bands (ev): 7.1882 7.1882 9.5637 9.5637 9.6451 9.6451 9.8118 9.8118 10.0595 10.0595 10.2138 10.2138 10.2730 10.2730 12.3272 12.3272 12.5699 12.5699 13.3039 13.3039 14.4152 14.4152 14.4841 14.4841 14.6276 14.6276 14.8570 14.8570 15.1958 15.1958 16.1191 16.1191 16.6431 16.6431 17.8220 17.8220 18.2204 18.2204 18.7929 18.7929 18.8261 18.8261 k = 0.1304 0.1304 0.1304 ( 2569 PWs) bands (ev): 7.2546 7.2546 9.5962 9.5962 9.6882 9.6882 9.8441 9.8441 10.1036 10.1036 10.2524 10.2524 10.3193 10.3193 12.3118 12.3118 12.5822 12.5822 13.3172 13.3172 14.2993 14.2993 14.3769 14.3769 14.5820 14.5820 14.8192 14.8192 15.1267 15.1267 16.1041 16.1041 16.5172 16.5172 17.8018 17.8018 18.2023 18.2023 18.7395 18.7395 18.7467 18.7467 k = 0.1377 0.1377 0.1377 ( 2563 PWs) bands (ev): 7.3237 7.3237 9.6293 9.6293 9.7325 9.7325 9.8770 9.8770 10.1503 10.1503 10.2935 10.2935 10.3683 10.3683 12.2957 12.2957 12.5944 12.5944 13.3303 13.3303 14.1747 14.1747 14.2581 14.2581 14.5472 14.5472 14.7907 14.7907 15.0549 15.0549 16.0895 16.0895 16.3930 16.3930 17.7829 17.7829 18.1773 18.1773 18.6650 18.6650 18.6879 18.6879 k = 0.1449 0.1449 0.1449 ( 2566 PWs) bands (ev): 7.3954 7.3954 9.6628 9.6628 9.7775 9.7775 9.9103 9.9103 10.1996 10.1996 10.3370 10.3370 10.4201 10.4201 12.2792 12.2792 12.6063 12.6063 13.3424 13.3424 14.0458 14.0458 14.1365 14.1365 14.5156 14.5156 14.7673 14.7673 14.9809 14.9809 16.0739 16.0739 16.2724 16.2724 17.7649 17.7649 18.1447 18.1447 18.5818 18.5818 18.6402 18.6402 k = 0.1522 0.1522 0.1522 ( 2569 PWs) bands (ev): 7.4695 7.4695 9.6964 9.6964 9.8229 9.8229 9.9439 9.9439 10.2514 10.2514 10.3830 10.3830 10.4746 10.4746 12.2623 12.2623 12.6177 12.6177 13.3526 13.3526 13.9152 13.9152 14.0160 14.0160 14.4849 14.4849 14.7469 14.7469 14.9050 14.9050 16.0517 16.0517 16.1615 16.1615 17.7477 17.7477 18.1044 18.1044 18.4981 18.4981 18.5977 18.5977 k = 0.1594 0.1594 0.1594 ( 2569 PWs) bands (ev): 7.5457 7.5457 9.7300 9.7300 9.8684 9.8684 9.9777 9.9777 10.3055 10.3055 10.4314 10.4314 10.5317 10.5317 12.2453 12.2453 12.6286 12.6286 13.3588 13.3588 13.7849 13.7849 13.8995 13.8995 14.4544 14.4544 14.7280 14.7280 14.8278 14.8278 15.9939 15.9939 16.0898 16.0898 17.7310 17.7310 18.0568 18.0568 18.4148 18.4148 18.5612 18.5612 k = 0.1667 0.1667 0.1667 ( 2557 PWs) bands (ev): 7.6237 7.6237 9.7634 9.7634 9.9137 9.9137 10.0115 10.0115 10.3617 10.3617 10.4823 10.4823 10.5915 10.5915 12.2285 12.2285 12.6388 12.6388 13.3575 13.3575 13.6559 13.6559 13.7911 13.7911 14.4238 14.4238 14.7097 14.7097 14.7496 14.7496 15.8934 15.8934 16.0647 16.0647 17.7147 17.7147 18.0032 18.0032 18.3327 18.3327 18.5305 18.5305 k = 0.1739 0.1739 0.1739 ( 2563 PWs) bands (ev): 7.7033 7.7033 9.7963 9.7963 9.9584 9.9584 10.0453 10.0453 10.4199 10.4199 10.5356 10.5356 10.6537 10.6537 12.2121 12.2121 12.6480 12.6480 13.3425 13.3425 13.5294 13.5294 13.6978 13.6978 14.3927 14.3927 14.6711 14.6711 14.6916 14.6916 15.7856 15.7856 16.0512 16.0512 17.6984 17.6984 17.9453 17.9453 18.2526 18.2526 18.5049 18.5049 k = 0.1812 0.1812 0.1812 ( 2575 PWs) bands (ev): 7.7842 7.7842 9.8285 9.8285 10.0021 10.0021 10.0788 10.0788 10.4798 10.4798 10.5911 10.5911 10.7184 10.7184 12.1964 12.1964 12.6560 12.6560 13.3045 13.3045 13.4064 13.4064 13.6288 13.6288 14.3612 14.3612 14.5926 14.5926 14.6731 14.6731 15.6795 15.6795 16.0408 16.0408 17.6820 17.6820 17.8847 17.8847 18.1752 18.1752 18.4835 18.4835 k = 0.1884 0.1884 0.1884 ( 2572 PWs) bands (ev): 7.8659 7.8659 9.8598 9.8598 10.0444 10.0444 10.1120 10.1120 10.5412 10.5412 10.6487 10.6487 10.7852 10.7852 12.1816 12.1816 12.6624 12.6624 13.2398 13.2398 13.2881 13.2881 13.5884 13.5884 14.3288 14.3288 14.5149 14.5149 14.6539 14.6539 15.5773 15.5773 16.0318 16.0318 17.6649 17.6649 17.8233 17.8233 18.1015 18.1015 18.4653 18.4653 k = 0.1957 0.1957 0.1957 ( 2566 PWs) bands (ev): 7.9481 7.9481 9.8898 9.8898 10.0849 10.0849 10.1446 10.1446 10.6040 10.6040 10.7081 10.7081 10.8542 10.8542 12.1679 12.1679 12.6664 12.6664 13.1557 13.1557 13.1758 13.1758 13.5694 13.5694 14.2950 14.2950 14.4392 14.4392 14.6339 14.6339 15.4798 15.4798 16.0236 16.0236 17.6469 17.6469 17.7623 17.7623 18.0323 18.0323 18.4497 18.4497 k = 0.2029 0.2029 0.2029 ( 2572 PWs) bands (ev): 8.0305 8.0305 9.9182 9.9182 10.1232 10.1232 10.1764 10.1764 10.6679 10.6679 10.7691 10.7691 10.9249 10.9249 12.1557 12.1557 12.6668 12.6668 13.0628 13.0628 13.0717 13.0717 13.5618 13.5618 14.2582 14.2582 14.3675 14.3675 14.6126 14.6126 15.3877 15.3877 16.0162 16.0162 17.6275 17.6275 17.7032 17.7032 17.9686 17.9686 18.4360 18.4360 k = 0.2101 0.2101 0.2101 ( 2566 PWs) bands (ev): 8.1124 8.1124 9.9448 9.9448 10.1588 10.1588 10.2073 10.2073 10.7328 10.7328 10.8311 10.8311 10.9972 10.9972 12.1451 12.1451 12.6609 12.6609 12.9683 12.9683 12.9793 12.9793 13.5586 13.5586 14.2146 14.2146 14.3040 14.3040 14.5900 14.5900 15.3017 15.3017 16.0092 16.0092 17.6059 17.6059 17.6467 17.6467 17.9112 17.9112 18.4238 18.4238 k = 0.2174 0.2174 0.2174 ( 2566 PWs) bands (ev): 8.1936 8.1936 9.9690 9.9690 10.1912 10.1912 10.2370 10.2370 10.7984 10.7984 10.8936 10.8936 11.0706 11.0706 12.1364 12.1364 12.6441 12.6441 12.8763 12.8763 12.9041 12.9041 13.5565 13.5565 14.1604 14.1604 14.2531 14.2531 14.5659 14.5659 15.2221 15.2221 16.0027 16.0027 17.5818 17.5818 17.5937 17.5937 17.8612 17.8612 18.4127 18.4127 k = 0.2246 0.2246 0.2246 ( 2572 PWs) bands (ev): 8.2735 8.2735 9.9905 9.9905 10.2198 10.2198 10.2651 10.2651 10.8645 10.8645 10.9561 10.9561 11.1449 11.1449 12.1296 12.1296 12.6116 12.6116 12.7897 12.7897 12.8524 12.8524 13.5533 13.5533 14.0975 14.0975 14.2133 14.2133 14.5401 14.5401 15.1494 15.1494 15.9967 15.9967 17.5447 17.5447 17.5550 17.5550 17.8188 17.8188 18.4026 18.4026 k = 0.2319 0.2319 0.2319 ( 2566 PWs) bands (ev): 8.3516 8.3516 10.0088 10.0088 10.2442 10.2442 10.2914 10.2914 10.9309 10.9309 11.0176 11.0176 11.2195 11.2195 12.1247 12.1247 12.5642 12.5642 12.7107 12.7107 12.8243 12.8243 13.5477 13.5477 14.0317 14.0317 14.1797 14.1797 14.5126 14.5126 15.0841 15.0841 15.9910 15.9910 17.5002 17.5002 17.5258 17.5258 17.7842 17.7842 18.3934 18.3934 k = 0.2391 0.2391 0.2391 ( 2566 PWs) bands (ev): 8.4274 8.4274 10.0234 10.0234 10.2635 10.2635 10.3155 10.3155 10.9973 10.9973 11.0774 11.0774 11.2937 11.2937 12.1216 12.1216 12.5107 12.5107 12.6418 12.6418 12.8128 12.8128 13.5386 13.5386 13.9665 13.9665 14.1492 14.1492 14.4834 14.4834 15.0265 15.0265 15.9856 15.9856 17.4604 17.4604 17.4951 17.4951 17.7565 17.7565 18.3848 18.3848 k = 0.2464 0.2464 0.2464 ( 2560 PWs) bands (ev): 8.5005 8.5005 10.0340 10.0340 10.2773 10.2773 10.3370 10.3370 11.0633 11.0633 11.1343 11.1343 11.3670 11.3670 12.1201 12.1201 12.4595 12.4595 12.5851 12.5851 12.8109 12.8109 13.5255 13.5255 13.9039 13.9039 14.1208 14.1208 14.4526 14.4526 14.9770 14.9770 15.9805 15.9805 17.4254 17.4254 17.4641 17.4641 17.7346 17.7346 18.3769 18.3769 k = 0.2536 0.2536 0.2536 ( 2560 PWs) bands (ev): 8.5703 8.5703 10.0399 10.0399 10.2848 10.2848 10.3554 10.3554 11.1286 11.1286 11.1876 11.1876 11.4385 11.4385 12.1198 12.1198 12.4160 12.4160 12.5431 12.5431 12.8148 12.8148 13.5076 13.5076 13.8452 13.8452 14.0939 14.0939 14.4202 14.4202 14.9357 14.9357 15.9757 15.9757 17.3952 17.3952 17.4342 17.4342 17.7174 17.7174 18.3696 18.3696 k = 0.2609 0.2609 0.2609 ( 2560 PWs) bands (ev): 8.6364 8.6364 10.0409 10.0409 10.2856 10.2856 10.3705 10.3705 11.1925 11.1925 11.2361 11.2361 11.5073 11.5073 12.1212 12.1212 12.3830 12.3830 12.5176 12.5176 12.8229 12.8229 13.4847 13.4847 13.7912 13.7912 14.0682 14.0682 14.3865 14.3865 14.9029 14.9029 15.9712 15.9712 17.3697 17.3697 17.4062 17.4062 17.7040 17.7040 18.3630 18.3630 k = 0.2681 0.2681 0.2681 ( 2554 PWs) bands (ev): 8.6984 8.6984 10.0365 10.0365 10.2790 10.2790 10.3817 10.3817 11.2542 11.2542 11.2794 11.2794 11.5721 11.5721 12.1260 12.1260 12.3621 12.3621 12.5091 12.5091 12.8346 12.8346 13.4569 13.4569 13.7426 13.7426 14.0437 14.0437 14.3517 14.3517 14.8787 14.8787 15.9669 15.9669 17.3487 17.3487 17.3807 17.3807 17.6936 17.6936 18.3570 18.3570 k = 0.2754 0.2754 0.2754 ( 2554 PWs) bands (ev): 8.7560 8.7560 10.0265 10.0265 10.2651 10.2651 10.3887 10.3887 11.3129 11.3129 11.3172 11.3172 11.6319 11.6319 12.1374 12.1374 12.3533 12.3533 12.5167 12.5167 12.8502 12.8502 13.4249 13.4249 13.6993 13.6993 14.0203 14.0203 14.3162 14.3162 14.8630 14.8630 15.9628 15.9628 17.3318 17.3318 17.3582 17.3582 17.6857 17.6857 18.3517 18.3517 k = 0.2826 0.2826 0.2826 ( 2548 PWs) bands (ev): 8.8091 8.8091 10.0109 10.0109 10.2436 10.2436 10.3914 10.3914 11.3496 11.3496 11.3672 11.3672 11.6859 11.6859 12.1591 12.1591 12.3558 12.3558 12.5379 12.5379 12.8700 12.8700 13.3904 13.3904 13.6609 13.6609 13.9982 13.9982 14.2804 14.2804 14.8559 14.8559 15.9588 15.9588 17.3185 17.3185 17.3386 17.3386 17.6801 17.6801 18.3471 18.3471 k = 0.2899 0.2899 0.2899 ( 2539 PWs) bands (ev): 8.8573 8.8573 9.9896 9.9896 10.2151 10.2151 10.3895 10.3895 11.3774 11.3774 11.4159 11.4159 11.7344 11.7344 12.1945 12.1945 12.3677 12.3677 12.5694 12.5694 12.8946 12.8946 13.3554 13.3554 13.6267 13.6267 13.9775 13.9775 14.2448 14.2448 14.8571 14.8571 15.9550 15.9550 17.3085 17.3085 17.3218 17.3218 17.6765 17.6765 18.3434 18.3434 k = 0.2971 0.2971 0.2971 ( 2545 PWs) bands (ev): 8.9006 8.9006 9.9630 9.9630 10.1799 10.1799 10.3831 10.3831 11.4013 11.4013 11.4580 11.4580 11.7790 11.7790 12.2447 12.2447 12.3866 12.3866 12.6073 12.6073 12.9247 12.9247 13.3224 13.3224 13.5958 13.5958 13.9583 13.9583 14.2100 14.2100 14.8665 14.8665 15.9514 15.9514 17.3011 17.3011 17.3076 17.3076 17.6749 17.6749 18.3406 18.3406 k = 0.3043 0.3043 0.3043 ( 2545 PWs) bands (ev): 8.9391 8.9391 9.9315 9.9315 10.1389 10.1389 10.3722 10.3722 11.4225 11.4225 11.4928 11.4928 11.8220 11.8220 12.3089 12.3089 12.4097 12.4097 12.6477 12.6477 12.9609 12.9609 13.2945 13.2945 13.5678 13.5678 13.9412 13.9412 14.1767 14.1767 14.8837 14.8837 15.9479 15.9479 17.2954 17.2954 17.2956 17.2956 17.6753 17.6753 18.3387 18.3387 k = 0.3116 0.3116 0.3116 ( 2533 PWs) bands (ev): 8.9728 8.9728 9.8955 9.8955 10.0929 10.0929 10.3571 10.3571 11.4415 11.4415 11.5208 11.5208 11.8654 11.8654 12.3852 12.3852 12.4347 12.4347 12.6858 12.6858 13.0031 13.0031 13.2747 13.2747 13.5426 13.5426 13.9268 13.9268 14.1459 14.1459 14.9083 14.9083 15.9446 15.9446 17.2850 17.2850 17.2915 17.2915 17.6775 17.6775 18.3380 18.3380 k = 0.3188 0.3188 0.3188 ( 2539 PWs) bands (ev): 9.0019 9.0019 9.8556 9.8556 10.0429 10.0429 10.3381 10.3381 11.4591 11.4591 11.5431 11.5431 11.9104 11.9104 12.4595 12.4595 12.4709 12.4709 12.7173 12.7173 13.0511 13.0511 13.2658 13.2658 13.5205 13.5205 13.9159 13.9159 14.1184 14.1184 14.9400 14.9400 15.9414 15.9414 17.2756 17.2756 17.2879 17.2879 17.6816 17.6816 18.3384 18.3384 k = 0.3261 0.3261 0.3261 ( 2539 PWs) bands (ev): 9.0266 9.0266 9.8125 9.8125 9.9899 9.9899 10.3157 10.3157 11.4755 11.4755 11.5610 11.5610 11.9568 11.9568 12.4830 12.4830 12.5631 12.5631 12.7389 12.7389 13.1038 13.1038 13.2693 13.2693 13.5023 13.5023 13.9100 13.9100 14.0958 14.0958 14.9782 14.9782 15.9383 15.9383 17.2667 17.2667 17.2843 17.2843 17.6874 17.6874 18.3401 18.3401 k = 0.3333 0.3333 0.3333 ( 2542 PWs) bands (ev): 9.0472 9.0472 9.7670 9.7670 9.9347 9.9347 10.2904 10.2904 11.4909 11.4909 11.5759 11.5759 12.0042 12.0042 12.5044 12.5044 12.6560 12.6560 12.7526 12.7526 13.1591 13.1591 13.2841 13.2841 13.4896 13.4896 13.9109 13.9109 14.0795 14.0795 15.0224 15.0224 15.9353 15.9353 17.2579 17.2579 17.2798 17.2798 17.6949 17.6949 18.3432 18.3432 k = 0.3406 0.3406 0.3406 ( 2536 PWs) bands (ev): 9.0638 9.0638 9.7196 9.7196 9.8781 9.8781 10.2627 10.2627 11.5054 11.5054 11.5885 11.5885 12.0521 12.0521 12.5235 12.5235 12.7174 12.7174 12.7885 12.7885 13.2148 13.2148 13.3064 13.3064 13.4841 13.4841 13.9210 13.9210 14.0716 14.0716 15.0720 15.0720 15.9325 15.9325 17.2486 17.2486 17.2738 17.2738 17.7039 17.7039 18.3477 18.3477 k = 0.3478 0.3478 0.3478 ( 2536 PWs) bands (ev): 9.0769 9.0769 9.6711 9.6711 9.8209 9.8209 10.2331 10.2331 11.5189 11.5189 11.5994 11.5994 12.0999 12.0999 12.5403 12.5403 12.7188 12.7188 12.8731 12.8731 13.2679 13.2679 13.3326 13.3326 13.4874 13.4874 13.9428 13.9428 14.0745 14.0745 15.1264 15.1264 15.9299 15.9299 17.2383 17.2383 17.2657 17.2657 17.7140 17.7140 18.3535 18.3535 k = 0.3551 0.3551 0.3551 ( 2536 PWs) bands (ev): 9.0867 9.0867 9.6221 9.6221 9.7637 9.7637 10.2021 10.2021 11.5315 11.5315 11.6091 11.6091 12.1471 12.1471 12.5549 12.5549 12.7051 12.7051 12.9574 12.9574 13.3154 13.3154 13.3636 13.3636 13.4996 13.4996 13.9787 13.9787 14.0903 14.0903 15.1852 15.1852 15.9274 15.9274 17.2266 17.2266 17.2547 17.2547 17.7250 17.7250 18.3608 18.3608 k = 0.3623 0.3623 0.3623 ( 2542 PWs) bands (ev): 9.0935 9.0935 9.5731 9.5731 9.7071 9.7071 10.1702 10.1702 11.5430 11.5430 11.6174 11.6174 12.1933 12.1933 12.5676 12.5676 12.6871 12.6871 13.0240 13.0240 13.3549 13.3549 13.4024 13.4024 13.5225 13.5225 14.0295 14.0295 14.1212 14.1212 15.2475 15.2475 15.9250 15.9250 17.2132 17.2132 17.2403 17.2403 17.7363 17.7363 18.3695 18.3695 k = 0.3696 0.3696 0.3696 ( 2530 PWs) bands (ev): 9.0977 9.0977 9.5248 9.5248 9.6515 9.6515 10.1379 10.1379 11.5534 11.5534 11.6245 11.6245 12.2380 12.2380 12.5784 12.5784 12.6676 12.6676 13.0656 13.0656 13.3850 13.3850 13.4412 13.4412 13.5683 13.5683 14.0943 14.0943 14.1677 14.1677 15.3129 15.3129 15.9229 15.9229 17.1978 17.1978 17.2220 17.2220 17.7477 17.7477 18.3794 18.3794 k = 0.3768 0.3768 0.3768 ( 2533 PWs) bands (ev): 9.0994 9.0994 9.4775 9.4775 9.5973 9.5973 10.1056 10.1056 11.5628 11.5628 11.6302 11.6302 12.2809 12.2809 12.5876 12.5876 12.6483 12.6483 13.0852 13.0852 13.4060 13.4060 13.4638 13.4638 13.6501 13.6501 14.1709 14.1709 14.2291 14.2291 15.3807 15.3807 15.9209 15.9209 17.1801 17.1801 17.1993 17.1993 17.7584 17.7584 18.3903 18.3903 k = 0.3841 0.3841 0.3841 ( 2539 PWs) bands (ev): 9.0988 9.0988 9.4317 9.4317 9.5449 9.5449 10.0736 10.0736 11.5711 11.5711 11.6347 11.6347 12.3218 12.3218 12.5952 12.5952 12.6299 12.6299 13.0903 13.0903 13.4193 13.4193 13.4725 13.4725 13.7586 13.7586 14.2566 14.2566 14.3036 14.3036 15.4502 15.4502 15.9190 15.9190 17.1599 17.1599 17.1719 17.1719 17.7680 17.7680 18.4022 18.4022 k = 0.3913 0.3913 0.3913 ( 2545 PWs) bands (ev): 9.0963 9.0963 9.3878 9.3878 9.4947 9.4947 10.0423 10.0423 11.5783 11.5783 11.6377 11.6377 12.3601 12.3601 12.6013 12.6013 12.6132 12.6132 13.0873 13.0873 13.4267 13.4267 13.4743 13.4743 13.8816 13.8816 14.3491 14.3491 14.3889 14.3889 15.5208 15.5208 15.9174 15.9174 17.1370 17.1370 17.1394 17.1394 17.7760 17.7760 18.4146 18.4146 k = 0.3986 0.3986 0.3986 ( 2533 PWs) bands (ev): 9.0920 9.0920 9.3463 9.3463 9.4468 9.4468 10.0121 10.0121 11.5845 11.5845 11.6394 11.6394 12.3957 12.3957 12.5983 12.5983 12.6060 12.6060 13.0805 13.0805 13.4303 13.4303 13.4726 13.4726 14.0122 14.0122 14.4462 14.4462 14.4826 14.4826 15.5918 15.5918 15.9160 15.9160 17.1017 17.1017 17.1112 17.1112 17.7818 17.7818 18.4275 18.4275 k = 0.4058 0.4058 0.4058 ( 2527 PWs) bands (ev): 9.0860 9.0860 9.3076 9.3076 9.4014 9.4014 9.9831 9.9831 11.5897 11.5897 11.6398 11.6398 12.4282 12.4282 12.5856 12.5856 12.6094 12.6094 13.0721 13.0721 13.4314 13.4314 13.4692 13.4692 14.1468 14.1468 14.5463 14.5463 14.5828 14.5828 15.6625 15.6625 15.9148 15.9148 17.0585 17.0585 17.0825 17.0825 17.7848 17.7848 18.4405 18.4405 k = 0.4130 0.4130 0.4130 ( 2527 PWs) bands (ev): 9.0783 9.0783 9.2719 9.2719 9.3588 9.3588 9.9557 9.9557 11.5941 11.5941 11.6391 11.6391 12.4570 12.4570 12.5751 12.5751 12.6115 12.6115 13.0636 13.0636 13.4312 13.4312 13.4648 13.4648 14.2829 14.2829 14.6480 14.6480 14.6879 14.6879 15.7322 15.7322 15.9138 15.9138 17.0098 17.0098 17.0508 17.0508 17.7845 17.7845 18.4534 18.4534 k = 0.4203 0.4203 0.4203 ( 2527 PWs) bands (ev): 9.0692 9.0692 9.2398 9.2398 9.3191 9.3191 9.9299 9.9299 11.5977 11.5977 11.6374 11.6374 12.4818 12.4818 12.5671 12.5671 12.6125 12.6125 13.0559 13.0559 13.4305 13.4305 13.4602 13.4602 14.4188 14.4188 14.7502 14.7502 14.7966 14.7966 15.7999 15.7999 15.9131 15.9131 16.9555 16.9555 17.0162 17.0162 17.7806 17.7806 18.4659 18.4659 k = 0.4275 0.4275 0.4275 ( 2527 PWs) bands (ev): 9.0586 9.0586 9.2114 9.2114 9.2825 9.2825 9.9060 9.9060 11.6006 11.6006 11.6349 11.6349 12.5018 12.5018 12.5622 12.5622 12.6126 12.6126 13.0495 13.0495 13.4298 13.4298 13.4556 13.4556 14.5528 14.5528 14.8520 14.8520 14.9080 14.9080 15.8647 15.8647 15.9126 15.9126 16.8957 16.8957 16.9790 16.9790 17.7725 17.7725 18.4778 18.4778 k = 0.4348 0.4348 0.4348 ( 2533 PWs) bands (ev): 9.0467 9.0467 9.1870 9.1870 9.2490 9.2490 9.8840 9.8840 11.6029 11.6029 11.6318 11.6318 12.5154 12.5154 12.5615 12.5615 12.6119 12.6119 13.0446 13.0446 13.4293 13.4293 13.4512 13.4512 14.6835 14.6835 14.9525 14.9525 15.0211 15.0211 15.9126 15.9126 15.9257 15.9257 16.8305 16.8305 16.9394 16.9394 17.7602 17.7602 18.4890 18.4890 k = 0.4420 0.4420 0.4420 ( 2533 PWs) bands (ev): 9.0338 9.0338 9.1665 9.1665 9.2189 9.2189 9.8642 9.8642 11.6047 11.6047 11.6283 11.6283 12.5221 12.5221 12.5659 12.5659 12.6106 12.6106 13.0413 13.0413 13.4291 13.4291 13.4473 13.4473 14.8090 14.8090 15.0509 15.0509 15.1354 15.1354 15.9132 15.9132 15.9814 15.9814 16.7599 16.7599 16.8983 16.8983 17.7434 17.7434 18.4992 18.4992 k = 0.4493 0.4493 0.4493 ( 2533 PWs) bands (ev): 9.0206 9.0206 9.1497 9.1497 9.1920 9.1920 9.8465 9.8465 11.6061 11.6061 11.6247 11.6247 12.5237 12.5237 12.5731 12.5731 12.6089 12.6089 13.0395 13.0395 13.4293 13.4293 13.4438 13.4438 14.9272 14.9272 15.1466 15.1466 15.2502 15.2502 15.9147 15.9147 16.0301 16.0301 16.6842 16.6842 16.8569 16.8569 17.7224 17.7224 18.5083 18.5083 k = 0.4565 0.4565 0.4565 ( 2527 PWs) bands (ev): 9.0076 9.0076 9.1361 9.1361 9.1687 9.1687 9.8311 9.8311 11.6071 11.6071 11.6211 11.6211 12.5234 12.5234 12.5806 12.5806 12.6071 12.6071 13.0389 13.0389 13.4298 13.4298 13.4408 13.4408 15.0358 15.0358 15.2389 15.2389 15.3651 15.3651 15.9176 15.9176 16.0699 16.0699 16.6035 16.6035 16.8167 16.8167 17.6978 17.6978 18.5164 18.5164 k = 0.4638 0.4638 0.4638 ( 2527 PWs) bands (ev): 8.9954 8.9954 9.1254 9.1254 9.1488 9.1488 9.8180 9.8180 11.6078 11.6078 11.6178 11.6178 12.5224 12.5224 12.5869 12.5869 12.6051 12.6051 13.0393 13.0393 13.4304 13.4304 13.4383 13.4383 15.1323 15.1323 15.3265 15.3265 15.4797 15.4797 15.9228 15.9228 16.0983 16.0983 16.5182 16.5182 16.7799 16.7799 17.6708 17.6708 18.5232 18.5232 k = 0.4710 0.4710 0.4710 ( 2515 PWs) bands (ev): 8.9848 8.9848 9.1171 9.1171 9.1325 9.1325 9.8073 9.8073 11.6083 11.6083 11.6148 11.6148 12.5214 12.5214 12.5919 12.5919 12.6033 12.6033 13.0403 13.0403 13.4311 13.4311 13.4363 13.4363 15.2141 15.2141 15.4072 15.4072 15.5934 15.5934 15.9316 15.9316 16.1129 16.1129 16.4285 16.4285 16.7488 16.7488 17.6433 17.6433 18.5288 18.5288 k = 0.4783 0.4783 0.4783 ( 2512 PWs) bands (ev): 8.9761 8.9761 9.1109 9.1109 9.1197 9.1197 9.7989 9.7989 11.6087 11.6087 11.6124 11.6124 12.5206 12.5206 12.5954 12.5954 12.6018 12.6018 13.0414 13.0414 13.4318 13.4318 13.4348 13.4348 15.2794 15.2794 15.4775 15.4775 15.7059 15.7059 15.9459 15.9459 16.1119 16.1119 16.3347 16.3347 16.7254 16.7254 17.6175 17.6175 18.5332 18.5332 k = 0.4855 0.4855 0.4855 ( 2512 PWs) bands (ev): 8.9697 8.9697 9.1067 9.1067 9.1106 9.1106 9.7929 9.7929 11.6089 11.6089 11.6105 11.6105 12.5200 12.5200 12.5978 12.5978 12.6006 12.6006 13.0425 13.0425 13.4324 13.4324 13.4337 13.4337 15.3270 15.3270 15.5323 15.5323 15.8168 15.8168 15.9676 15.9676 16.0957 16.0957 16.2373 16.2373 16.7102 16.7102 17.5963 17.5963 18.5363 18.5364 k = 0.4928 0.4928 0.4928 ( 2512 PWs) bands (ev): 8.9658 8.9658 9.1041 9.1041 9.1051 9.1051 9.7893 9.7893 11.6090 11.6090 11.6094 11.6094 12.5196 12.5196 12.5992 12.5992 12.5998 12.5998 13.0432 13.0432 13.4328 13.4328 13.4331 13.4331 15.3560 15.3560 15.5671 15.5671 15.9258 15.9258 15.9973 15.9973 16.0674 16.0674 16.1364 16.1364 16.7021 16.7021 17.5822 17.5822 18.5381 18.5382 k = 0.5000 0.5000 0.5000 ( 2512 PWs) bands (ev): 8.9644 8.9644 9.1033 9.1033 9.1033 9.1033 9.7881 9.7881 11.6090 11.6090 11.6090 11.6090 12.5195 12.5195 12.5996 12.5996 12.5996 12.5996 13.0435 13.0435 13.4329 13.4329 13.4329 13.4329 15.3657 15.3657 15.5789 15.5789 16.0308 16.0308 16.0308 16.0308 16.0341 16.0341 16.0341 16.0341 16.6996 16.6996 17.5773 17.5773 18.5388 18.5388 k = 0.5000 0.5000 0.5000 ( 2512 PWs) bands (ev): 8.9644 8.9644 9.1033 9.1033 9.1033 9.1033 9.7881 9.7881 11.6090 11.6090 11.6090 11.6090 12.5195 12.5195 12.5996 12.5996 12.5996 12.5996 13.0435 13.0435 13.4329 13.4329 13.4329 13.4329 15.3657 15.3657 15.5789 15.5789 16.0308 16.0308 16.0308 16.0308 16.0341 16.0341 16.0341 16.0341 16.6996 16.6996 17.5773 17.5773 18.5388 18.5388 k = 0.4911 0.5000 0.4911 ( 2512 PWs) bands (ev): 8.9658 8.9658 9.1042 9.1042 9.1051 9.1051 9.7893 9.7893 11.6090 11.6090 11.6094 11.6094 12.5196 12.5196 12.5991 12.5991 12.5999 12.5999 13.0432 13.0432 13.4326 13.4326 13.4333 13.4333 15.3559 15.3559 15.5669 15.5669 15.9251 15.9251 15.9972 15.9972 16.0671 16.0671 16.1373 16.1373 16.7021 16.7021 17.5823 17.5823 18.5381 18.5383 k = 0.4821 0.5000 0.4821 ( 2512 PWs) bands (ev): 8.9698 8.9698 9.1070 9.1070 9.1105 9.1105 9.7930 9.7930 11.6089 11.6089 11.6105 11.6105 12.5200 12.5200 12.5976 12.5976 12.6008 12.6008 13.0425 13.0425 13.4316 13.4316 13.4345 13.4345 15.3266 15.3266 15.5319 15.5319 15.8161 15.8161 15.9663 15.9663 16.0951 16.0951 16.2394 16.2394 16.7104 16.7104 17.5965 17.5965 18.5361 18.5362 k = 0.4732 0.5000 0.4732 ( 2512 PWs) bands (ev): 8.9763 8.9763 9.1115 9.1115 9.1194 9.1194 9.7990 9.7990 11.6087 11.6087 11.6123 11.6123 12.5206 12.5206 12.5950 12.5950 12.6023 12.6023 13.0413 13.0413 13.4300 13.4300 13.4365 13.4365 15.2787 15.2787 15.4766 15.4766 15.7063 15.7063 15.9416 15.9416 16.1104 16.1104 16.3384 16.3384 16.7264 16.7264 17.6180 17.6180 18.5327 18.5327 k = 0.4643 0.5000 0.4643 ( 2518 PWs) bands (ev): 8.9853 8.9853 9.1180 9.1180 9.1320 9.1320 9.8075 9.8075 11.6085 11.6085 11.6147 11.6147 12.5213 12.5213 12.5911 12.5911 12.6044 12.6044 13.0400 13.0400 13.4279 13.4279 13.4394 13.4394 15.2129 15.2129 15.4055 15.4055 15.5968 15.5968 15.9227 15.9227 16.1086 16.1086 16.4342 16.4342 16.7519 16.7519 17.6440 17.6440 18.5279 18.5280 k = 0.4554 0.5000 0.4554 ( 2526 PWs) bands (ev): 8.9965 8.9965 9.1264 9.1264 9.1482 9.1482 9.8184 9.8184 11.6081 11.6081 11.6176 11.6176 12.5222 12.5222 12.5858 12.5858 12.6070 12.6070 13.0387 13.0387 13.4254 13.4254 13.4432 13.4432 15.1300 15.1300 15.3235 15.3235 15.4886 15.4886 15.9080 15.9080 16.0882 16.0882 16.5266 16.5266 16.7869 16.7869 17.6716 17.6716 18.5217 18.5217 k = 0.4464 0.5000 0.4464 ( 2530 PWs) bands (ev): 9.0096 9.0096 9.1368 9.1368 9.1681 9.1681 9.8317 9.8317 11.6076 11.6076 11.6209 11.6209 12.5232 12.5232 12.5789 12.5789 12.6102 12.6102 13.0377 13.0377 13.4224 13.4224 13.4479 13.4479 15.0312 15.0312 15.2350 15.2350 15.3828 15.3828 15.8959 15.8959 16.0499 16.0499 16.6155 16.6155 16.8300 16.8300 17.6983 17.6983 18.5140 18.5140 k = 0.4375 0.5000 0.4375 ( 2526 PWs) bands (ev): 9.0244 9.0244 9.1492 9.1492 9.1918 9.1918 9.8474 9.8474 11.6068 11.6068 11.6244 11.6244 12.5242 12.5242 12.5703 12.5703 12.6139 12.6139 13.0373 13.0373 13.4191 13.4191 13.4535 13.4535 14.9186 14.9186 15.1424 15.1424 15.2797 15.2797 15.8849 15.8849 15.9966 15.9966 16.7006 16.7006 16.8787 16.8787 17.7221 17.7221 18.5048 18.5048 k = 0.4286 0.5000 0.4286 ( 2528 PWs) bands (ev): 9.0405 9.0405 9.1639 9.1639 9.2192 9.2192 9.8654 9.8654 11.6058 11.6058 11.6279 11.6279 12.5248 12.5248 12.5600 12.5600 12.6180 12.6180 13.0377 13.0377 13.4157 13.4157 13.4600 13.4600 14.7948 14.7948 15.0472 15.0472 15.1796 15.1796 15.8723 15.8723 15.9326 15.9326 16.7817 16.7817 16.9306 16.9306 17.7421 17.7421 18.4941 18.4941 k = 0.4196 0.5000 0.4196 ( 2532 PWs) bands (ev): 9.0576 9.0576 9.1808 9.1808 9.2504 9.2504 9.8857 9.8857 11.6044 11.6044 11.6312 11.6312 12.5239 12.5239 12.5490 12.5490 12.6225 12.6225 13.0390 13.0390 13.4121 13.4121 13.4674 13.4674 14.6629 14.6629 14.9498 14.9498 15.0826 15.0826 15.8367 15.8367 15.8814 15.8814 16.8585 16.8585 16.9837 16.9837 17.7576 17.7576 18.4819 18.4819 k = 0.4107 0.5000 0.4107 ( 2532 PWs) bands (ev): 9.0753 9.0753 9.2000 9.2000 9.2853 9.2853 9.9082 9.9082 11.6026 11.6026 11.6339 11.6339 12.5180 12.5180 12.5408 12.5408 12.6275 12.6275 13.0413 13.0413 13.4085 13.4085 13.4754 13.4754 14.5254 14.5254 14.8509 14.8509 14.9887 14.9887 15.7577 15.7577 15.8654 15.8654 16.9309 16.9309 17.0366 17.0366 17.7686 17.7686 18.4683 18.4683 k = 0.4018 0.5000 0.4018 ( 2532 PWs) bands (ev): 9.0935 9.0935 9.2215 9.2215 9.3240 9.3240 9.9330 9.9330 11.6004 11.6004 11.6358 11.6358 12.5042 12.5042 12.5383 12.5383 12.6329 12.6329 13.0443 13.0443 13.4049 13.4049 13.4840 13.4840 14.3848 14.3848 14.7511 14.7511 14.8975 14.8975 15.6665 15.6665 15.8551 15.8551 16.9986 16.9986 17.0882 17.0882 17.7754 17.7754 18.4534 18.4534 k = 0.3929 0.5000 0.3929 ( 2528 PWs) bands (ev): 9.1118 9.1118 9.2452 9.2452 9.3662 9.3662 9.9598 9.9598 11.5975 11.5975 11.6365 11.6365 12.4855 12.4855 12.5383 12.5383 12.6389 12.6389 13.0478 13.0478 13.4014 13.4014 13.4927 13.4927 14.2428 14.2428 14.6512 14.6512 14.8090 14.8090 15.5697 15.5697 15.8456 15.8456 17.0615 17.0615 17.1377 17.1377 17.7784 17.7784 18.4373 18.4373 k = 0.3839 0.5000 0.3839 ( 2532 PWs) bands (ev): 9.1302 9.1302 9.2711 9.2711 9.4120 9.4120 9.9888 9.9888 11.5939 11.5939 11.6358 11.6358 12.4641 12.4641 12.5388 12.5388 12.6457 12.6457 13.0509 13.0509 13.3978 13.3978 13.5011 13.5011 14.1016 14.1016 14.5522 14.5522 14.7231 14.7231 15.4697 15.4697 15.8360 15.8360 17.1194 17.1194 17.1846 17.1846 17.7782 17.7782 18.4201 18.4201 k = 0.3750 0.5000 0.3750 ( 2528 PWs) bands (ev): 9.1485 9.1485 9.2989 9.2989 9.4612 9.4612 10.0198 10.0198 11.5894 11.5894 11.6333 11.6333 12.4408 12.4408 12.5387 12.5387 12.6536 12.6536 13.0526 13.0526 13.3940 13.3940 13.5086 13.5086 13.9634 13.9634 14.4550 14.4550 14.6397 14.6397 15.3682 15.3682 15.8262 15.8262 17.1725 17.1725 17.2285 17.2285 17.7753 17.7753 18.4019 18.4019 k = 0.3661 0.5000 0.3661 ( 2536 PWs) bands (ev): 9.1667 9.1667 9.3285 9.3285 9.5136 9.5136 10.0527 10.0527 11.5839 11.5839 11.6288 11.6288 12.4162 12.4162 12.5375 12.5375 12.6628 12.6628 13.0507 13.0507 13.3895 13.3895 13.5141 13.5141 13.8312 13.8312 14.3605 14.3605 14.5589 14.5589 15.2670 15.2670 15.8162 15.8162 17.2208 17.2208 17.2690 17.2690 17.7702 17.7702 18.3830 18.3830 k = 0.3571 0.5000 0.3571 ( 2548 PWs) bands (ev): 9.1847 9.1847 9.3595 9.3595 9.5692 9.5692 10.0874 10.0874 11.5772 11.5772 11.6219 11.6219 12.3907 12.3907 12.5343 12.5343 12.6737 12.6737 13.0424 13.0424 13.3834 13.3834 13.5163 13.5163 13.7101 13.7101 14.2696 14.2696 14.4808 14.4808 15.1681 15.1681 15.8058 15.8058 17.2645 17.2645 17.3057 17.3057 17.7636 17.7636 18.3634 18.3634 k = 0.3482 0.5000 0.3482 ( 2536 PWs) bands (ev): 9.2024 9.2024 9.3918 9.3918 9.6277 9.6277 10.1238 10.1238 11.5690 11.5690 11.6128 11.6128 12.3649 12.3649 12.5285 12.5285 12.6863 12.6863 13.0227 13.0227 13.3735 13.3735 13.5117 13.5117 13.6099 13.6099 14.1834 14.1834 14.4054 14.4054 15.0733 15.0733 15.7951 15.7951 17.3037 17.3037 17.3388 17.3388 17.7559 17.7559 18.3434 18.3434 k = 0.3393 0.5000 0.3393 ( 2536 PWs) bands (ev): 9.2198 9.2198 9.4251 9.4251 9.6889 9.6889 10.1618 10.1618 11.5589 11.5589 11.6013 11.6013 12.3391 12.3391 12.5191 12.5191 12.7006 12.7006 12.9857 12.9857 13.3551 13.3551 13.4895 13.4895 13.5512 13.5512 14.1027 14.1027 14.3326 14.3326 14.9849 14.9849 15.7842 15.7842 17.3381 17.3381 17.3685 17.3685 17.7478 17.7478 18.3231 18.3231 k = 0.3304 0.5000 0.3304 ( 2536 PWs) bands (ev): 9.2367 9.2367 9.4592 9.4592 9.7527 9.7527 10.2013 10.2013 11.5464 11.5464 11.5878 11.5878 12.3138 12.3138 12.5048 12.5048 12.7161 12.7161 12.9279 12.9279 13.3242 13.3242 13.4607 13.4607 13.5310 13.5310 14.0285 14.0285 14.2623 14.2623 14.9051 14.9051 15.7730 15.7730 17.3670 17.3670 17.3957 17.3957 17.7399 17.7399 18.3026 18.3026 k = 0.3214 0.5000 0.3214 ( 2544 PWs) bands (ev): 9.2530 9.2530 9.4938 9.4938 9.8189 9.8189 10.2420 10.2420 11.5309 11.5309 11.5727 11.5727 12.2892 12.2892 12.4834 12.4834 12.7314 12.7314 12.8529 12.8529 13.2861 13.2861 13.4486 13.4486 13.5188 13.5188 13.9615 13.9615 14.1940 14.1940 14.8360 14.8360 15.7616 15.7616 17.3893 17.3893 17.4218 17.4218 17.7327 17.7327 18.2821 18.2821 k = 0.3125 0.5000 0.3125 ( 2544 PWs) bands (ev): 9.2686 9.2686 9.5287 9.5287 9.8872 9.8872 10.2840 10.2840 11.5118 11.5118 11.5566 11.5566 12.2657 12.2657 12.4511 12.4511 12.7380 12.7380 12.7780 12.7780 13.2470 13.2470 13.4493 13.4493 13.5065 13.5065 13.9023 13.9023 14.1274 14.1274 14.7794 14.7794 15.7501 15.7501 17.4050 17.4050 17.4469 17.4469 17.7268 17.7268 18.2619 18.2619 k = 0.3036 0.5000 0.3036 ( 2544 PWs) bands (ev): 9.2834 9.2834 9.5636 9.5636 9.9574 9.9574 10.3270 10.3270 11.4890 11.4890 11.5397 11.5397 12.2435 12.2435 12.4021 12.4021 12.6818 12.6818 12.7681 12.7681 13.2075 13.2075 13.4576 13.4576 13.4927 13.4927 13.8516 13.8516 14.0627 14.0627 14.7358 14.7358 15.7385 15.7385 17.4149 17.4149 17.4706 17.4706 17.7228 17.7228 18.2422 18.2422 k = 0.2946 0.5000 0.2946 ( 2552 PWs) bands (ev): 9.2971 9.2971 9.5983 9.5983 10.0294 10.0294 10.3708 10.3708 11.4627 11.4627 11.5219 11.5219 12.2229 12.2229 12.3319 12.3319 12.6176 12.6176 12.7747 12.7747 13.1681 13.1681 13.4685 13.4685 13.4797 13.4797 13.8093 13.8093 14.0009 14.0009 14.7052 14.7052 15.7271 15.7271 17.4197 17.4197 17.4925 17.4925 17.7211 17.7211 18.2234 18.2234 k = 0.2857 0.5000 0.2857 ( 2556 PWs) bands (ev): 9.3095 9.3095 9.6326 9.6326 10.1028 10.1028 10.4153 10.4153 11.4333 11.4333 11.5030 11.5030 12.2039 12.2039 12.2429 12.2429 12.5664 12.5664 12.7744 12.7744 13.1304 13.1304 13.4588 13.4588 13.4896 13.4896 13.7741 13.7741 13.9447 13.9447 14.6860 14.6860 15.7158 15.7158 17.4200 17.4200 17.5125 17.5125 17.7220 17.7220 18.2057 18.2057 k = 0.2768 0.5000 0.2768 ( 2556 PWs) bands (ev): 9.3205 9.3205 9.6661 9.6661 10.1773 10.1773 10.4603 10.4603 11.4014 11.4014 11.4827 11.4827 12.1417 12.1417 12.1872 12.1872 12.5234 12.5234 12.7632 12.7632 13.0963 13.0963 13.4444 13.4444 13.5068 13.5068 13.7427 13.7427 13.8992 13.8992 14.6763 14.6763 15.7048 15.7048 17.4162 17.4162 17.5307 17.5307 17.7253 17.7253 18.1898 18.1898 k = 0.2679 0.5000 0.2679 ( 2548 PWs) bands (ev): 9.3299 9.3299 9.6986 9.6986 10.2529 10.2529 10.5056 10.5056 11.3676 11.3676 11.4608 11.4608 12.0358 12.0358 12.1718 12.1718 12.4831 12.4831 12.7398 12.7398 13.0656 13.0656 13.4350 13.4350 13.5229 13.5229 13.7109 13.7109 13.8701 13.8701 14.6737 14.6737 15.6943 15.6943 17.4086 17.4086 17.5474 17.5474 17.7307 17.7307 18.1764 18.1764 k = 0.2589 0.5000 0.2589 ( 2550 PWs) bands (ev): 9.3374 9.3374 9.7298 9.7298 10.3291 10.3291 10.5510 10.5510 11.3324 11.3324 11.4373 11.4373 11.9288 11.9288 12.1584 12.1584 12.4418 12.4418 12.7060 12.7060 13.0360 13.0360 13.4346 13.4346 13.5325 13.5325 13.6804 13.6804 13.8595 13.8595 14.6759 14.6759 15.6843 15.6843 17.3976 17.3976 17.5631 17.5631 17.7375 17.7375 18.1664 18.1664 k = 0.2500 0.5000 0.2500 ( 2554 PWs) bands (ev): 9.3428 9.3428 9.7595 9.7595 10.4057 10.4057 10.5962 10.5962 11.2963 11.2963 11.4120 11.4120 11.8232 11.8232 12.1467 12.1467 12.3978 12.3978 12.6649 12.6649 13.0051 13.0051 13.4451 13.4451 13.5270 13.5270 13.6620 13.6620 13.8642 13.8642 14.6810 14.6810 15.6751 15.6751 17.3834 17.3834 17.5782 17.5782 17.7445 17.7445 18.1608 18.1608 k = 0.2411 0.5000 0.2411 ( 2550 PWs) bands (ev): 9.3460 9.3460 9.7872 9.7872 10.4822 10.4822 10.6409 10.6409 11.2600 11.2600 11.3851 11.3851 11.7205 11.7205 12.1366 12.1366 12.3503 12.3503 12.6197 12.6197 12.9719 12.9719 13.4653 13.4653 13.5029 13.5029 13.6629 13.6629 13.8800 13.8800 14.6870 14.6870 15.6669 15.6669 17.3663 17.3663 17.5928 17.5928 17.7507 17.7507 18.1610 18.1610 k = 0.2321 0.5000 0.2321 ( 2550 PWs) bands (ev): 9.3467 9.3467 9.8128 9.8128 10.5583 10.5583 10.6850 10.6850 11.2240 11.2240 11.3565 11.3565 11.6219 11.6219 12.1277 12.1277 12.2999 12.2999 12.5723 12.5723 12.9374 12.9374 13.4639 13.4639 13.4980 13.4980 13.6772 13.6772 13.9041 13.9041 14.6927 14.6927 15.6598 15.6598 17.3466 17.3466 17.6067 17.6067 17.7553 17.7553 18.1679 18.1679 k = 0.2232 0.5000 0.2232 ( 2546 PWs) bands (ev): 9.3447 9.3447 9.8359 9.8359 10.6332 10.6332 10.7280 10.7280 11.1893 11.1893 11.3266 11.3266 11.5279 11.5279 12.1195 12.1195 12.2482 12.2482 12.5238 12.5238 12.9027 12.9027 13.4271 13.4271 13.5316 13.5316 13.6979 13.6979 13.9347 13.9347 14.6968 14.6968 15.6541 15.6541 17.3246 17.3246 17.6187 17.6187 17.7582 17.7582 18.1824 18.1824 k = 0.2143 0.5000 0.2143 ( 2546 PWs) bands (ev): 9.3400 9.3400 9.8561 9.8561 10.7051 10.7051 10.7703 10.7703 11.1568 11.1568 11.2953 11.2953 11.4395 11.4395 12.1102 12.1102 12.1977 12.1977 12.4745 12.4745 12.8690 12.8690 13.3913 13.3913 13.5689 13.5689 13.7222 13.7222 13.9706 13.9706 14.6987 14.6987 15.6500 15.6500 17.3006 17.3006 17.6271 17.6271 17.7608 17.7608 18.2041 18.2041 k = 0.2054 0.5000 0.2054 ( 2562 PWs) bands (ev): 9.3324 9.3324 9.8733 9.8733 10.7683 10.7683 10.8154 10.8154 11.1284 11.1284 11.2629 11.2629 11.3574 11.3574 12.0940 12.0940 12.1554 12.1554 12.4250 12.4250 12.8369 12.8369 13.3592 13.3592 13.6065 13.6065 13.7490 13.7490 14.0112 14.0112 14.6978 14.6978 15.6479 15.6479 17.2749 17.2749 17.6295 17.6295 17.7651 17.7651 18.2321 18.2321 k = 0.1964 0.5000 0.1964 ( 2562 PWs) bands (ev): 9.3220 9.3220 9.8872 9.8872 10.8114 10.8114 10.8714 10.8714 11.1065 11.1065 11.2281 11.2281 11.2841 11.2841 12.0613 12.0613 12.1319 12.1319 12.3759 12.3759 12.8065 12.8065 13.3320 13.3320 13.6425 13.6425 13.7776 13.7776 14.0560 14.0560 14.6939 14.6939 15.6479 15.6479 17.2476 17.2476 17.6238 17.6238 17.7733 17.7733 18.2644 18.2644 k = 0.1875 0.5000 0.1875 ( 2560 PWs) bands (ev): 9.3087 9.3087 9.8975 9.8975 10.8343 10.8343 10.9325 10.9325 11.0945 11.0945 11.1851 11.1851 11.2281 11.2281 12.0176 12.0176 12.1219 12.1219 12.3278 12.3278 12.7779 12.7779 13.3101 13.3101 13.6758 13.6758 13.8072 13.8072 14.1045 14.1045 14.6871 14.6871 15.6504 15.6504 17.2192 17.2192 17.6099 17.6099 17.7858 17.7858 18.2984 18.2984 k = 0.1786 0.5000 0.1786 ( 2556 PWs) bands (ev): 9.2926 9.2926 9.9041 9.9041 10.8411 10.8411 10.9868 10.9868 11.0918 11.0918 11.1340 11.1340 11.1981 11.1981 11.9728 11.9728 12.1156 12.1156 12.2821 12.2821 12.7509 12.7509 13.2939 13.2939 13.7060 13.7060 13.8366 13.8366 14.1559 14.1559 14.6779 14.6779 15.6558 15.6558 17.1898 17.1898 17.5889 17.5889 17.8016 17.8016 18.3309 18.3309 k = 0.1696 0.5000 0.1696 ( 2556 PWs) bands (ev): 9.2739 9.2739 9.9069 9.9069 10.8342 10.8342 11.0203 11.0203 11.0645 11.0645 11.1195 11.1195 11.1946 11.1946 11.9302 11.9302 12.1085 12.1085 12.2404 12.2404 12.7255 12.7255 13.2832 13.2832 13.7333 13.7333 13.8648 13.8648 14.2090 14.2090 14.6670 14.6670 15.6644 15.6644 17.1597 17.1597 17.5622 17.5622 17.8197 17.8197 18.3585 18.3585 k = 0.1607 0.5000 0.1607 ( 2556 PWs) bands (ev): 9.2529 9.2529 9.9060 9.9060 10.8177 10.8177 11.0042 11.0042 11.0367 11.0367 11.1356 11.1356 11.2243 11.2243 11.8908 11.8908 12.0973 12.0973 12.2058 12.2058 12.7017 12.7017 13.2779 13.2779 13.7582 13.7582 13.8905 13.8905 14.2616 14.2616 14.6562 14.6562 15.6764 15.6764 17.1293 17.1293 17.5312 17.5312 17.8389 17.8389 18.3786 18.3786 k = 0.1518 0.5000 0.1518 ( 2556 PWs) bands (ev): 9.2298 9.2298 9.9014 9.9014 10.7957 10.7957 10.9588 10.9588 11.0191 11.0191 11.1602 11.1602 11.2744 11.2744 11.8552 11.8552 12.0782 12.0782 12.1819 12.1819 12.6796 12.6796 13.2778 13.2778 13.7811 13.7811 13.9131 13.9131 14.3103 14.3103 14.6485 14.6485 15.6923 15.6923 17.0986 17.0986 17.4966 17.4966 17.8586 17.8586 18.3898 18.3898 k = 0.1429 0.5000 0.1429 ( 2550 PWs) bands (ev): 9.2050 9.2050 9.8934 9.8934 10.7709 10.7709 10.9153 10.9153 10.9949 10.9949 11.1889 11.1889 11.3312 11.3312 11.8234 11.8234 12.0512 12.0512 12.1688 12.1688 12.6593 12.6593 13.2824 13.2824 13.8023 13.8023 13.9321 13.9321 14.3497 14.3497 14.6483 14.6483 15.7121 15.7121 17.0681 17.0681 17.4590 17.4590 17.8784 17.8784 18.3923 18.3923 k = 0.1339 0.5000 0.1339 ( 2558 PWs) bands (ev): 9.1789 9.1789 9.8823 9.8823 10.7452 10.7452 10.8760 10.8760 10.9685 10.9685 11.2187 11.2187 11.3888 11.3888 11.7955 11.7955 12.0202 12.0202 12.1630 12.1630 12.6411 12.6411 13.2913 13.2913 13.8221 13.8221 13.9473 13.9473 14.3734 14.3734 14.6616 14.6616 15.7360 15.7360 17.0378 17.0378 17.4187 17.4187 17.8979 17.8979 18.3872 18.3872 k = 0.1250 0.5000 0.1250 ( 2546 PWs) bands (ev): 9.1520 9.1520 9.8685 9.8685 10.7196 10.7196 10.8410 10.8410 10.9421 10.9421 11.2481 11.2481 11.4450 11.4450 11.7713 11.7713 11.9888 11.9888 12.1611 12.1611 12.6251 12.6251 13.3041 13.3041 13.8405 13.8405 13.9588 13.9588 14.3784 14.3784 14.6909 14.6909 15.7641 15.7641 17.0081 17.0081 17.3761 17.3761 17.9169 17.9169 18.3761 18.3761 k = 0.1161 0.5000 0.1161 ( 2554 PWs) bands (ev): 9.1247 9.1247 9.8525 9.8525 10.6945 10.6945 10.8100 10.8100 10.9166 10.9166 11.2761 11.2761 11.4982 11.4982 11.7507 11.7507 11.9590 11.9590 12.1614 12.1614 12.6113 12.6113 13.3204 13.3204 13.8576 13.8576 13.9666 13.9666 14.3673 14.3673 14.7332 14.7332 15.7963 15.7963 16.9791 16.9791 17.3315 17.3315 17.9353 17.9353 18.3608 18.3608 k = 0.1071 0.5000 0.1071 ( 2562 PWs) bands (ev): 9.0975 9.0975 9.8349 9.8349 10.6705 10.6705 10.7827 10.7827 10.8925 10.8925 11.3020 11.3020 11.5475 11.5475 11.7337 11.7337 11.9320 11.9320 12.1632 12.1632 12.5999 12.5999 13.3397 13.3397 13.8734 13.8734 13.9712 13.9712 14.3451 14.3451 14.7829 14.7829 15.8326 15.8326 16.9512 16.9512 17.2849 17.2849 17.9528 17.9528 18.3427 18.3427 k = 0.0982 0.5000 0.0982 ( 2562 PWs) bands (ev): 9.0708 9.0708 9.8161 9.8161 10.6479 10.6479 10.7589 10.7589 10.8702 10.8702 11.3254 11.3254 11.5911 11.5911 11.7209 11.7209 11.9084 11.9084 12.1664 12.1664 12.5906 12.5906 13.3616 13.3616 13.8880 13.8880 13.9728 13.9728 14.3161 14.3161 14.8354 14.8354 15.8727 15.8727 16.9245 16.9245 17.2368 17.2368 17.9695 17.9695 18.3231 18.3231 k = 0.0893 0.5000 0.0893 ( 2556 PWs) bands (ev): 9.0451 9.0451 9.7969 9.7969 10.6267 10.6267 10.7383 10.7383 10.8497 10.8497 11.3459 11.3459 11.6264 11.6264 11.7141 11.7141 11.8886 11.8886 12.1709 12.1709 12.5833 12.5833 13.3858 13.3858 13.9011 13.9011 13.9720 13.9720 14.2830 14.2830 14.8879 14.8879 15.9161 15.9161 16.8992 16.8992 17.1872 17.1872 17.9850 17.9850 18.3030 18.3030 k = 0.0804 0.5000 0.0804 ( 2566 PWs) bands (ev): 9.0206 9.0206 9.7777 9.7777 10.6073 10.6073 10.7205 10.7205 10.8310 10.8310 11.3634 11.3634 11.6475 11.6475 11.7182 11.7182 11.8729 11.8729 12.1769 12.1769 12.5778 12.5778 13.4118 13.4118 13.9126 13.9126 13.9694 13.9694 14.2474 14.2474 14.9385 14.9385 15.9625 15.9625 16.8756 16.8756 17.1365 17.1365 17.9995 17.9995 18.2831 18.2831 k = 0.0714 0.5000 0.0714 ( 2566 PWs) bands (ev): 8.9978 8.9978 9.7591 9.7591 10.5896 10.5896 10.7053 10.7053 10.8144 10.8144 11.3779 11.3779 11.6525 11.6525 11.7346 11.7346 11.8612 11.8612 12.1844 12.1844 12.5738 12.5738 13.4392 13.4392 13.9221 13.9221 13.9656 13.9656 14.2107 14.2107 14.9860 14.9860 16.0113 16.0113 16.8538 16.8538 17.0849 17.0849 18.0127 18.0127 18.2640 18.2640 k = 0.0625 0.5000 0.0625 ( 2558 PWs) bands (ev): 8.9770 8.9770 9.7415 9.7415 10.5739 10.5739 10.6925 10.6925 10.7997 10.7997 11.3895 11.3895 11.6493 11.6493 11.7552 11.7552 11.8530 11.8530 12.1934 12.1934 12.5710 12.5710 13.4675 13.4675 13.9290 13.9290 13.9619 13.9619 14.1739 14.1739 15.0294 15.0294 16.0618 16.0618 16.8341 16.8341 17.0330 17.0330 18.0246 18.0246 18.2462 18.2462 k = 0.0536 0.5000 0.0536 ( 2550 PWs) bands (ev): 8.9584 8.9584 9.7254 9.7254 10.5601 10.5601 10.6818 10.6818 10.7869 10.7869 11.3984 11.3984 11.6438 11.6438 11.7742 11.7742 11.8479 11.8479 12.2033 12.2033 12.5690 12.5690 13.4962 13.4962 13.9321 13.9321 13.9595 13.9595 14.1381 14.1381 15.0682 15.0682 16.1131 16.1131 16.8166 16.8166 16.9812 16.9812 18.0350 18.0350 18.2301 18.2301 k = 0.0446 0.5000 0.0446 ( 2558 PWs) bands (ev): 8.9423 8.9423 9.7112 9.7112 10.5483 10.5483 10.6730 10.6730 10.7761 10.7761 11.4051 11.4051 11.6379 11.6379 11.7902 11.7902 11.8450 11.8450 12.2137 12.2137 12.5678 12.5678 13.5244 13.5244 13.9312 13.9312 13.9591 13.9591 14.1045 14.1045 15.1017 15.1017 16.1640 16.1640 16.8015 16.8015 16.9305 16.9305 18.0440 18.0440 18.2160 18.2160 k = 0.0357 0.5000 0.0357 ( 2566 PWs) bands (ev): 8.9289 8.9289 9.6991 9.6991 10.5386 10.5386 10.6660 10.6660 10.7673 10.7673 11.4098 11.4098 11.6326 11.6326 11.8029 11.8029 11.8434 11.8434 12.2238 12.2238 12.5669 12.5669 13.5513 13.5513 13.9278 13.9278 13.9589 13.9589 14.0748 14.0748 15.1296 15.1296 16.2130 16.2130 16.7889 16.7889 16.8820 16.8820 18.0514 18.0514 18.2042 18.2042 k = 0.0268 0.5000 0.0268 ( 2566 PWs) bands (ev): 8.9183 8.9183 9.6894 9.6894 10.5310 10.5310 10.6607 10.6607 10.7604 10.7604 11.4131 11.4131 11.6282 11.6282 11.8128 11.8128 11.8423 11.8423 12.2328 12.2328 12.5664 12.5664 13.5755 13.5755 13.9236 13.9236 13.9571 13.9571 14.0510 14.0510 15.1517 15.1517 16.2579 16.2579 16.7788 16.7788 16.8378 16.8378 18.0572 18.0572 18.1948 18.1948 k = 0.0179 0.5000 0.0179 ( 2566 PWs) bands (ev): 8.9106 8.9106 9.6824 9.6824 10.5255 10.5255 10.6570 10.6570 10.7555 10.7555 11.4151 11.4151 11.6250 11.6250 11.8203 11.8203 11.8412 11.8412 12.2399 12.2399 12.5660 12.5660 13.5953 13.5953 13.9200 13.9200 13.9530 13.9530 14.0347 14.0347 15.1676 15.1676 16.2955 16.2955 16.7715 16.7715 16.8011 16.8011 18.0614 18.0614 18.1880 18.1880 k = 0.0089 0.5000 0.0089 ( 2560 PWs) bands (ev): 8.9060 8.9060 9.6781 9.6781 10.5223 10.5223 10.6548 10.6548 10.7525 10.7525 11.4163 11.4163 11.6230 11.6230 11.8254 11.8254 11.8400 11.8400 12.2444 12.2444 12.5658 12.5658 13.6084 13.6084 13.9175 13.9175 13.9485 13.9485 14.0259 14.0259 15.1772 15.1772 16.3213 16.3213 16.7661 16.7661 16.7767 16.7767 18.0639 18.0639 18.1839 18.1839 k = 0.0000 0.5000-0.0000 ( 2560 PWs) bands (ev): 8.9044 8.9044 9.6767 9.6767 10.5212 10.5212 10.6541 10.6541 10.7516 10.7516 11.4166 11.4166 11.6223 11.6223 11.8273 11.8273 11.8394 11.8394 12.2460 12.2460 12.5658 12.5658 13.6130 13.6130 13.9166 13.9166 13.9464 13.9464 14.0233 14.0233 15.1804 15.1804 16.3306 16.3306 16.7625 16.7625 16.7698 16.7698 18.0647 18.0647 18.1825 18.1825 k = 0.5000 0.5000-0.0000 ( 2544 PWs) bands (ev): 10.3861 10.3861 10.4545 10.4545 10.8392 10.8392 11.2667 11.2667 11.2965 11.2965 11.4546 11.4546 11.5774 11.5774 11.7412 11.7412 12.0625 12.0625 12.1667 12.1667 12.5410 12.5410 13.3551 13.3551 13.3715 13.3715 13.4598 13.4598 13.8373 13.8373 14.2537 14.2537 14.4052 14.4052 17.4530 17.4530 17.5696 17.5696 17.7661 17.7661 17.8244 17.8244 k = 0.5000 0.5000 0.0125 ( 2544 PWs) bands (ev): 10.3813 10.3813 10.4503 10.4503 10.8215 10.8215 11.2814 11.2814 11.2852 11.2852 11.4646 11.4646 11.5763 11.5763 11.7478 11.7478 12.0653 12.0653 12.1744 12.1744 12.5435 12.5435 13.3409 13.3409 13.3836 13.3836 13.4595 13.4595 13.8378 13.8378 14.2520 14.2520 14.4096 14.4096 17.4542 17.4542 17.5711 17.5711 17.7658 17.7658 17.8244 17.8244 k = 0.5000 0.5000 0.0250 ( 2544 PWs) bands (ev): 10.3671 10.3671 10.4380 10.4380 10.7755 10.7755 11.2444 11.2444 11.3329 11.3329 11.4867 11.4867 11.5743 11.5743 11.7666 11.7666 12.0742 12.0742 12.1963 12.1963 12.5513 12.5513 13.3188 13.3188 13.3991 13.3991 13.4584 13.4584 13.8399 13.8399 14.2469 14.2469 14.4226 14.4226 17.4580 17.4580 17.5754 17.5754 17.7651 17.7651 17.8246 17.8246 k = 0.5000 0.5000 0.0375 ( 2544 PWs) bands (ev): 10.3442 10.3442 10.4179 10.4179 10.7137 10.7137 11.1962 11.1962 11.3952 11.3952 11.5106 11.5106 11.5757 11.5757 11.7947 11.7947 12.0899 12.0899 12.2305 12.2305 12.5644 12.5644 13.2944 13.2944 13.4127 13.4127 13.4566 13.4566 13.8440 13.8440 14.2384 14.2384 14.4435 14.4435 17.4642 17.4642 17.5824 17.5824 17.7638 17.7638 17.8251 17.8251 k = 0.5000 0.5000 0.0500 ( 2552 PWs) bands (ev): 10.3135 10.3135 10.3909 10.3909 10.6443 10.6443 11.1422 11.1422 11.4562 11.4562 11.5323 11.5323 11.5893 11.5893 11.8298 11.8298 12.1125 12.1125 12.2750 12.2750 12.5830 12.5830 13.2681 13.2681 13.4239 13.4239 13.4544 13.4544 13.8514 13.8514 14.2268 14.2268 14.4715 14.4715 17.4726 17.4726 17.5917 17.5917 17.7621 17.7621 17.8260 17.8260 k = 0.5000 0.5000 0.0625 ( 2552 PWs) bands (ev): 10.2760 10.2760 10.3575 10.3575 10.5715 10.5715 11.0849 11.0849 11.4960 11.4960 11.5505 11.5505 11.6313 11.6313 11.8700 11.8700 12.1410 12.1410 12.3281 12.3281 12.6071 12.6071 13.2404 13.2404 13.4324 13.4324 13.4519 13.4519 13.8631 13.8631 14.2122 14.2122 14.5057 14.5057 17.4831 17.4831 17.6029 17.6029 17.7598 17.7598 17.8277 17.8277 k = 0.5000 0.5000 0.0750 ( 2560 PWs) bands (ev): 10.2328 10.2328 10.3189 10.3189 10.4977 10.4977 11.0258 11.0258 11.5120 11.5120 11.5657 11.5657 11.7014 11.7014 11.9142 11.9142 12.1740 12.1740 12.3883 12.3883 12.6370 12.6370 13.2116 13.2116 13.4381 13.4381 13.4493 13.4493 13.8803 13.8803 14.1948 14.1948 14.5451 14.5451 17.4953 17.4953 17.6150 17.6150 17.7569 17.7569 17.8307 17.8307 k = 0.5000 0.5000 0.0875 ( 2544 PWs) bands (ev): 10.1851 10.1851 10.2759 10.2759 10.4240 10.4240 10.9657 10.9657 11.5185 11.5185 11.5783 11.5783 11.7828 11.7828 11.9624 11.9624 12.2099 12.2099 12.4541 12.4541 12.6726 12.6726 13.1823 13.1823 13.4413 13.4413 13.4471 13.4471 13.9036 13.9036 14.1749 14.1749 14.5888 14.5888 17.5091 17.5091 17.6273 17.6273 17.7534 17.7534 17.8357 17.8357 k = 0.5000 0.5000 0.1000 ( 2536 PWs) bands (ev): 10.1338 10.1338 10.2293 10.2293 10.3512 10.3512 10.9053 10.9053 11.5224 11.5224 11.5890 11.5890 11.8649 11.8649 12.0161 12.0161 12.2473 12.2473 12.5243 12.5243 12.7139 12.7139 13.1530 13.1530 13.4423 13.4423 13.4457 13.4457 13.9337 13.9337 14.1528 14.1528 14.6360 14.6360 17.5240 17.5240 17.6384 17.6384 17.7494 17.7494 17.8436 17.8436 k = 0.5000 0.5000 0.1125 ( 2540 PWs) bands (ev): 10.0799 10.0799 10.1800 10.1800 10.2797 10.2797 10.8449 10.8449 11.5259 11.5259 11.5983 11.5983 11.9402 11.9402 12.0789 12.0789 12.2847 12.2847 12.5975 12.5975 12.7606 12.7606 13.1244 13.1244 13.4419 13.4419 13.4456 13.4456 13.9706 13.9706 14.1289 14.1289 14.6860 14.6860 17.5396 17.5396 17.6472 17.6472 17.7447 17.7447 17.8551 17.8551 k = 0.5000 0.5000 0.1250 ( 2540 PWs) bands (ev): 10.0240 10.0240 10.1286 10.1286 10.2096 10.2096 10.7850 10.7850 11.5296 11.5296 11.6066 11.6066 12.0035 12.0035 12.1541 12.1541 12.3211 12.3211 12.6718 12.6718 12.8122 12.8122 13.0975 13.0975 13.4410 13.4410 13.4477 13.4477 14.0145 14.0145 14.1035 14.1035 14.7383 14.7383 17.5555 17.5555 17.6526 17.6526 17.7394 17.7394 17.8711 17.8711 k = 0.5000 0.5000 0.1375 ( 2548 PWs) bands (ev): 9.9670 9.9670 10.0759 10.0759 10.1413 10.1413 10.7257 10.7257 11.5336 11.5336 11.6142 11.6142 12.0553 12.0553 12.2399 12.2399 12.3556 12.3556 12.7449 12.7449 12.8679 12.8679 13.0741 13.0741 13.4410 13.4410 13.4529 13.4529 14.0650 14.0650 14.0770 14.0770 14.7922 14.7922 17.5710 17.5710 17.6540 17.6540 17.7338 17.7338 17.8916 17.8916 k = 0.5000 0.5000 0.1500 ( 2548 PWs) bands (ev): 9.9094 9.9094 10.0222 10.0222 10.0748 10.0748 10.6675 10.6675 11.5381 11.5381 11.6213 11.6213 12.0992 12.0992 12.3316 12.3316 12.3874 12.3874 12.8119 12.8119 12.9268 12.9268 13.0576 13.0576 13.4435 13.4435 13.4623 13.4623 14.0498 14.0498 14.1220 14.1220 14.8475 14.8475 17.5853 17.5853 17.6513 17.6513 17.7281 17.7281 17.9162 17.9162 k = 0.5000 0.5000 0.1625 ( 2556 PWs) bands (ev): 9.8516 9.8516 9.9682 9.9682 10.0101 10.0101 10.6103 10.6103 11.5430 11.5430 11.6278 11.6278 12.1381 12.1381 12.4159 12.4159 12.4251 12.4251 12.8637 12.8637 12.9878 12.9878 13.0555 13.0555 13.4507 13.4507 13.4773 13.4773 14.0225 14.0225 14.1850 14.1850 14.9036 14.9036 17.5972 17.5972 17.6447 17.6447 17.7231 17.7231 17.9444 17.9444 k = 0.5000 0.5000 0.1750 ( 2556 PWs) bands (ev): 9.7942 9.7942 9.9142 9.9142 9.9473 9.9473 10.5544 10.5544 11.5481 11.5481 11.6338 11.6338 12.1735 12.1735 12.4408 12.4408 12.5175 12.5175 12.8889 12.8889 13.0499 13.0499 13.0766 13.0766 13.4655 13.4655 13.4994 13.4994 13.9958 13.9958 14.2537 14.2537 14.9602 14.9602 17.6051 17.6051 17.6345 17.6345 17.7199 17.7199 17.9753 17.9753 k = 0.5000 0.5000 0.1875 ( 2540 PWs) bands (ev): 9.7375 9.7375 9.8606 9.8606 9.8865 9.8865 10.5000 10.5000 11.5534 11.5534 11.6394 11.6394 12.2065 12.2065 12.4620 12.4620 12.6063 12.6063 12.8897 12.8897 13.1127 13.1127 13.1155 13.1155 13.4915 13.4915 13.5298 13.5298 13.9705 13.9705 14.3278 14.3278 15.0170 15.0170 17.6069 17.6069 17.6211 17.6211 17.7200 17.7200 18.0082 18.0082 k = 0.5000 0.5000 0.2000 ( 2540 PWs) bands (ev): 9.6817 9.6817 9.8076 9.8076 9.8276 9.8276 10.4470 10.4470 11.5587 11.5587 11.6443 11.6443 12.2374 12.2374 12.4792 12.4792 12.6886 12.6886 12.8784 12.8784 13.1567 13.1567 13.1765 13.1765 13.5322 13.5322 13.5689 13.5689 13.9480 13.9480 14.4068 14.4068 15.0738 15.0738 17.6014 17.6014 17.6045 17.6045 17.7242 17.7242 18.0424 18.0424 k = 0.5000 0.5000 0.2125 ( 2540 PWs) bands (ev): 9.6272 9.6272 9.7556 9.7556 9.7708 9.7708 10.3957 10.3957 11.5640 11.5640 11.6486 11.6486 12.2668 12.2668 12.4928 12.4928 12.7617 12.7617 12.8625 12.8625 13.1912 13.1912 13.2428 13.2428 13.5887 13.5887 13.6150 13.6150 13.9308 13.9308 14.4903 14.4903 15.1302 15.1302 17.5849 17.5849 17.5889 17.5889 17.7319 17.7319 18.0774 18.0774 k = 0.5000 0.5000 0.2250 ( 2536 PWs) bands (ev): 9.5742 9.5742 9.7046 9.7046 9.7160 9.7160 10.3461 10.3461 11.5693 11.5693 11.6522 11.6522 12.2947 12.2947 12.5029 12.5029 12.8234 12.8234 12.8451 12.8451 13.2176 13.2176 13.3130 13.3130 13.6596 13.6596 13.6638 13.6638 13.9238 13.9238 14.5778 14.5778 15.1861 15.1861 17.5623 17.5623 17.5701 17.5701 17.7415 17.7415 18.1128 18.1128 k = 0.5000 0.5000 0.2375 ( 2536 PWs) bands (ev): 9.5228 9.5228 9.6551 9.6551 9.6634 9.6634 10.2984 10.2984 11.5743 11.5743 11.6550 11.6550 12.3214 12.3214 12.5101 12.5101 12.8273 12.8273 12.8726 12.8726 13.2377 13.2377 13.3875 13.3875 13.7073 13.7073 13.7414 13.7414 13.9351 13.9351 14.6688 14.6688 15.2412 15.2412 17.5367 17.5367 17.5461 17.5461 17.7520 17.7520 18.1480 18.1480 k = 0.5000 0.5000 0.2500 ( 2528 PWs) bands (ev): 9.4731 9.4731 9.6070 9.6070 9.6128 9.6128 10.2524 10.2524 11.5791 11.5791 11.6570 11.6570 12.3469 12.3469 12.5148 12.5148 12.8095 12.8095 12.9102 12.9102 13.2539 13.2539 13.4629 13.4629 13.7398 13.7398 13.8311 13.8311 13.9731 13.9731 14.7630 14.7630 15.2952 15.2952 17.5081 17.5081 17.5171 17.5171 17.7624 17.7624 18.1828 18.1828 k = 0.5000 0.5000 0.2625 ( 2536 PWs) bands (ev): 9.4254 9.4254 9.5606 9.5606 9.5644 9.5644 10.2084 10.2084 11.5836 11.5836 11.6581 11.6581 12.3713 12.3713 12.5176 12.5176 12.7920 12.7920 12.9382 12.9382 13.2679 13.2679 13.5299 13.5299 13.7697 13.7697 13.9261 13.9261 14.0361 14.0361 14.8597 14.8597 15.3481 15.3481 17.4763 17.4763 17.4834 17.4834 17.7722 17.7722 18.2167 18.2167 k = 0.5000 0.5000 0.2750 ( 2536 PWs) bands (ev): 9.3797 9.3797 9.5159 9.5159 9.5183 9.5183 10.1664 10.1664 11.5878 11.5878 11.6584 11.6584 12.3946 12.3946 12.5191 12.5191 12.7746 12.7746 12.9589 12.9589 13.2809 13.2809 13.5738 13.5738 13.8177 13.8177 14.0248 14.0248 14.1158 14.1158 14.9585 14.9585 15.3996 15.3996 17.4415 17.4415 17.4451 17.4451 17.7809 17.7809 18.2496 18.2496 k = 0.5000 0.5000 0.2875 ( 2532 PWs) bands (ev): 9.3361 9.3361 9.4732 9.4732 9.4744 9.4744 10.1264 10.1264 11.5915 11.5915 11.6578 11.6578 12.4168 12.4168 12.5197 12.5197 12.7576 12.7576 12.9742 12.9742 13.2935 13.2935 13.5896 13.5896 13.8932 13.8932 14.1261 14.1261 14.2055 14.2055 15.0589 15.0589 15.4495 15.4495 17.4021 17.4021 17.4034 17.4034 17.7882 17.7882 18.2812 18.2812 k = 0.5000 0.5000 0.3000 ( 2532 PWs) bands (ev): 9.2947 9.2947 9.4324 9.4324 9.4328 9.4328 10.0885 10.0885 11.5949 11.5949 11.6565 11.6565 12.4378 12.4378 12.5198 12.5198 12.7409 12.7409 12.9857 12.9857 13.3060 13.3060 13.5874 13.5874 13.9879 13.9879 14.2292 14.2292 14.3015 14.3015 15.1602 15.1602 15.4977 15.4977 17.3544 17.3544 17.3622 17.3622 17.7939 17.7939 18.3114 18.3114 k = 0.5000 0.5000 0.3125 ( 2532 PWs) bands (ev): 9.2555 9.2555 9.3936 9.3936 9.3938 9.3938 10.0527 10.0527 11.5978 11.5978 11.6544 11.6544 12.4577 12.4577 12.5197 12.5197 12.7246 12.7246 12.9945 12.9945 13.3183 13.3183 13.5768 13.5768 14.0927 14.0927 14.3335 14.3335 14.4018 14.4018 15.2619 15.2619 15.5440 15.5440 17.3019 17.3019 17.3179 17.3179 17.7978 17.7978 18.3399 18.3399 k = 0.5000 0.5000 0.3250 ( 2524 PWs) bands (ev): 9.2186 9.2186 9.3567 9.3567 9.3573 9.3573 10.0191 10.0191 11.6004 11.6004 11.6516 11.6516 12.4764 12.4764 12.5196 12.5196 12.7088 12.7088 13.0017 13.0017 13.3305 13.3305 13.5626 13.5626 14.2026 14.2026 14.4384 14.4384 14.5053 14.5053 15.3632 15.3632 15.5883 15.5883 17.2448 17.2448 17.2706 17.2706 17.7995 17.7995 18.3666 18.3666 k = 0.5000 0.5000 0.3375 ( 2524 PWs) bands (ev): 9.1841 9.1841 9.3222 9.3222 9.3231 9.3231 9.9876 9.9876 11.6025 11.6025 11.6484 11.6484 12.4938 12.4938 12.5197 12.5197 12.6937 12.6937 13.0076 13.0076 13.3426 13.3426 13.5472 13.5472 14.3150 14.3150 14.5436 14.5436 14.6110 14.6110 15.4634 15.4634 15.6305 15.6305 17.1829 17.1829 17.2204 17.2204 17.7988 17.7988 18.3915 18.3915 k = 0.5000 0.5000 0.3500 ( 2524 PWs) bands (ev): 9.1520 9.1520 9.2901 9.2901 9.2912 9.2912 9.9584 9.9584 11.6043 11.6043 11.6446 11.6446 12.5098 12.5098 12.5198 12.5198 12.6794 12.6794 13.0126 13.0126 13.3543 13.3543 13.5316 13.5316 14.4283 14.4283 14.6486 14.6486 14.7186 14.7186 15.5616 15.5616 15.6705 15.6705 17.1165 17.1165 17.1675 17.1675 17.7953 17.7953 18.4144 18.4144 k = 0.5000 0.5000 0.3625 ( 2524 PWs) bands (ev): 9.1224 9.1224 9.2605 9.2605 9.2616 9.2616 9.9314 9.9314 11.6057 11.6057 11.6406 11.6406 12.5202 12.5202 12.5246 12.5246 12.6660 12.6660 13.0171 13.0171 13.3656 13.3656 13.5165 13.5165 14.5414 14.5414 14.7531 14.7531 14.8274 14.8274 15.6566 15.6566 15.7082 15.7082 17.0455 17.0455 17.1125 17.1125 17.7888 17.7888 18.4354 18.4354 k = 0.5000 0.5000 0.3750 ( 2532 PWs) bands (ev): 9.0952 9.0952 9.2334 9.2334 9.2345 9.2345 9.9067 9.9067 11.6068 11.6068 11.6364 11.6364 12.5206 12.5206 12.5380 12.5380 12.6536 12.6536 13.0213 13.0213 13.3763 13.3763 13.5023 13.5023 14.6530 14.6530 14.8565 14.8565 14.9373 14.9373 15.7402 15.7402 15.7508 15.7508 16.9703 16.9703 17.0559 17.0559 17.7787 17.7787 18.4543 18.4543 k = 0.5000 0.5000 0.3875 ( 2536 PWs) bands (ev): 9.0705 9.0705 9.2088 9.2088 9.2098 9.2098 9.8843 9.8843 11.6076 11.6076 11.6321 11.6321 12.5210 12.5210 12.5500 12.5500 12.6425 12.6425 13.0250 13.0250 13.3864 13.3864 13.4892 13.4892 14.7621 14.7621 14.9584 14.9584 15.0477 15.0477 15.7755 15.7755 15.8336 15.8336 16.8909 16.8909 16.9985 16.9985 17.7648 17.7648 18.4713 18.4713 k = 0.5000 0.5000 0.4000 ( 2532 PWs) bands (ev): 9.0483 9.0483 9.1868 9.1868 9.1876 9.1876 9.8642 9.8642 11.6082 11.6082 11.6279 11.6279 12.5213 12.5213 12.5607 12.5607 12.6326 12.6326 13.0285 13.0285 13.3956 13.3956 13.4774 13.4774 14.8676 14.8676 15.0581 15.0581 15.1586 15.1586 15.8061 15.8061 15.9113 15.9113 16.8075 16.8075 16.9413 16.9413 17.7469 17.7469 18.4862 18.4862 k = 0.5000 0.5000 0.4125 ( 2532 PWs) bands (ev): 9.0287 9.0287 9.1673 9.1673 9.1680 9.1680 9.8464 9.8464 11.6086 11.6086 11.6240 11.6240 12.5215 12.5215 12.5700 12.5700 12.6241 12.6241 13.0317 13.0317 13.4040 13.4040 13.4669 13.4669 14.9679 14.9679 15.1547 15.1547 15.2695 15.2695 15.8346 15.8346 15.9793 15.9793 16.7205 16.7205 16.8859 16.8859 17.7249 17.7249 18.4991 18.4991 k = 0.5000 0.5000 0.4250 ( 2540 PWs) bands (ev): 9.0117 9.0117 9.1503 9.1503 9.1509 9.1509 9.8309 9.8309 11.6088 11.6088 11.6203 11.6203 12.5215 12.5215 12.5780 12.5780 12.6169 12.6169 13.0346 13.0346 13.4115 13.4115 13.4579 13.4579 15.0615 15.0615 15.2471 15.2471 15.3804 15.3804 15.8613 15.8613 16.0351 16.0351 16.6301 16.6301 16.8345 16.8345 17.6995 17.6995 18.5100 18.5100 k = 0.5000 0.5000 0.4375 ( 2524 PWs) bands (ev): 8.9973 8.9973 9.1360 9.1360 9.1364 9.1364 9.8179 9.8179 11.6090 11.6090 11.6170 11.6170 12.5213 12.5213 12.5847 12.5847 12.6112 12.6112 13.0372 13.0372 13.4179 13.4179 13.4502 13.4502 15.1465 15.1465 15.3339 15.3339 15.4909 15.4909 15.8867 15.8867 16.0759 16.0759 16.5366 16.5366 16.7893 16.7893 17.6718 17.6718 18.5191 18.5191 k = 0.5000 0.5000 0.4500 ( 2516 PWs) bands (ev): 8.9855 8.9855 9.1243 9.1243 9.1245 9.1245 9.8072 9.8072 11.6090 11.6090 11.6142 11.6142 12.5209 12.5209 12.5901 12.5901 12.6067 12.6067 13.0394 13.0394 13.4232 13.4232 13.4439 13.4439 15.2207 15.2207 15.4126 15.4126 15.6009 15.6009 15.9119 15.9119 16.0990 16.0990 16.4403 16.4403 16.7528 16.7528 17.6437 17.6437 18.5264 18.5264 k = 0.5000 0.5000 0.4625 ( 2512 PWs) bands (ev): 8.9763 8.9763 9.1151 9.1151 9.1152 9.1152 9.7988 9.7988 11.6091 11.6091 11.6120 11.6120 12.5204 12.5204 12.5943 12.5943 12.6035 12.6035 13.0412 13.0412 13.4274 13.4274 13.4391 13.4391 15.2819 15.2819 15.4804 15.4804 15.7102 15.7102 15.9380 15.9380 16.1033 16.1033 16.3414 16.3414 16.7266 16.7266 17.6175 17.6175 18.5319 18.5319 k = 0.5000 0.5000 0.4750 ( 2512 PWs) bands (ev): 8.9697 8.9697 9.1086 9.1086 9.1086 9.1086 9.7929 9.7929 11.6090 11.6090 11.6104 11.6104 12.5200 12.5200 12.5972 12.5972 12.6013 12.6013 13.0424 13.0424 13.4304 13.4304 13.4356 13.4356 15.3277 15.3277 15.5333 15.5333 15.8187 15.8187 15.9666 15.9666 16.0906 16.0906 16.2403 16.2403 16.7103 16.7103 17.5962 17.5962 18.5357 18.5357 k = 0.5000 0.5000 0.4875 ( 2512 PWs) bands (ev): 8.9657 8.9657 9.1046 9.1046 9.1046 9.1046 9.7893 9.7893 11.6090 11.6090 11.6094 11.6094 12.5196 12.5196 12.5990 12.5990 12.6000 12.6000 13.0432 13.0432 13.4323 13.4323 13.4336 13.4336 15.3561 15.3561 15.5672 15.5672 15.9262 15.9262 15.9984 15.9984 16.0650 16.0650 16.1372 16.1372 16.7021 16.7021 17.5822 17.5822 18.5381 18.5382 k = 0.5000 0.5000 0.5000 ( 2512 PWs) bands (ev): 8.9644 8.9644 9.1033 9.1033 9.1033 9.1033 9.7881 9.7881 11.6090 11.6090 11.6090 11.6090 12.5195 12.5195 12.5996 12.5996 12.5996 12.5996 13.0435 13.0435 13.4329 13.4329 13.4329 13.4329 15.3657 15.3657 15.5789 15.5789 16.0308 16.0308 16.0308 16.0308 16.0341 16.0341 16.0341 16.0341 16.6996 16.6996 17.5773 17.5773 18.5388 18.5388 Writing output data file ZrPt3.save init_run : 0.16s CPU 0.27s WALL ( 1 calls) electrons : 105.13s CPU 107.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 105.12s CPU 107.28s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.02s WALL ( 307 calls) cegterg : 96.76s CPU 98.48s WALL ( 476 calls) Called by sum_band: Called by *egterg: h_psi : 48.27s CPU 49.83s WALL ( 8075 calls) s_psi : 3.56s CPU 3.63s WALL ( 8075 calls) g_psi : 0.15s CPU 0.15s WALL ( 7292 calls) cdiaghg : 40.78s CPU 40.80s WALL ( 7599 calls) cegterg:over : 3.92s CPU 3.97s WALL ( 7292 calls) cegterg:upda : 2.49s CPU 2.66s WALL ( 7292 calls) cegterg:last : 1.73s CPU 1.89s WALL ( 1648 calls) cdiaghg:chol : 2.15s CPU 2.22s WALL ( 7599 calls) cdiaghg:inve : 1.30s CPU 1.21s WALL ( 7599 calls) cdiaghg:para : 2.30s CPU 2.37s WALL ( 15198 calls) Called by h_psi: h_psi:vloc : 40.00s CPU 41.25s WALL ( 8075 calls) h_psi:vnl : 8.16s CPU 8.45s WALL ( 8075 calls) add_vuspsi : 4.35s CPU 4.55s WALL ( 8075 calls) General routines calbec : 3.80s CPU 3.88s WALL ( 8075 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 36.70s CPU 37.95s WALL ( 853608 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.11s WALL ( 614 calls) Parallel routines fft_scatter : 18.40s CPU 19.13s WALL ( 853631 calls) PWSCF : 1m54.98s CPU 2m 6.64s WALL This run was terminated on: 21: 9:42 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=