Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17: 8:50 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: ./ZnNi3C.save/ file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 34 18 6 916 364 64 Max 35 19 7 921 383 68 Sum 1237 681 221 33059 13517 2373 bravais-lattice index = 14 lattice parameter (alat) = 6.9164 a.u. unit-cell volume = 330.8566 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 46.00 number of Kohn-Sham states= 56 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.916397 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 Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Zn read from file: /users/gautes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1201 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 Ni 10.00 58.69340 Ni( 1.00) C 4.00 12.01070 C( 1.00) Zn 12.00 65.40900 Zn( 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= 332 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0000000 0.0116279 -0.0000000), wk = 0.0030120 k( 3) = ( 0.0000000 0.0232558 -0.0000000), wk = 0.0030120 k( 4) = ( 0.0000000 0.0348837 -0.0000000), wk = 0.0030120 k( 5) = ( 0.0000000 0.0465116 -0.0000000), wk = 0.0030120 k( 6) = ( 0.0000000 0.0581395 -0.0000000), wk = 0.0030120 k( 7) = ( 0.0000000 0.0697674 -0.0000000), wk = 0.0030120 k( 8) = ( 0.0000000 0.0813954 -0.0000000), wk = 0.0030120 k( 9) = ( 0.0000000 0.0930233 -0.0000000), wk = 0.0030120 k( 10) = ( 0.0000000 0.1046512 -0.0000000), wk = 0.0030120 k( 11) = ( 0.0000000 0.1162791 -0.0000000), wk = 0.0030120 k( 12) = ( 0.0000000 0.1279070 -0.0000000), wk = 0.0030120 k( 13) = ( 0.0000000 0.1395349 -0.0000000), wk = 0.0030120 k( 14) = ( 0.0000000 0.1511628 -0.0000000), wk = 0.0030120 k( 15) = ( 0.0000000 0.1627907 -0.0000000), wk = 0.0030120 k( 16) = ( 0.0000000 0.1744186 -0.0000000), wk = 0.0030120 k( 17) = ( 0.0000000 0.1860465 -0.0000000), wk = 0.0030120 k( 18) = ( 0.0000000 0.1976744 -0.0000000), wk = 0.0030120 k( 19) = ( 0.0000000 0.2093023 -0.0000000), wk = 0.0030120 k( 20) = ( 0.0000000 0.2209302 -0.0000000), wk = 0.0030120 k( 21) = ( 0.0000000 0.2325581 -0.0000000), wk = 0.0030120 k( 22) = ( 0.0000000 0.2441860 -0.0000000), wk = 0.0030120 k( 23) = ( 0.0000000 0.2558140 -0.0000000), wk = 0.0030120 k( 24) = ( 0.0000000 0.2674419 -0.0000000), wk = 0.0030120 k( 25) = ( 0.0000000 0.2790698 -0.0000000), wk = 0.0030120 k( 26) = ( 0.0000000 0.2906977 -0.0000000), wk = 0.0030120 k( 27) = ( 0.0000000 0.3023256 -0.0000000), wk = 0.0030120 k( 28) = ( 0.0000000 0.3139535 -0.0000000), wk = 0.0030120 k( 29) = ( 0.0000000 0.3255814 -0.0000000), wk = 0.0030120 k( 30) = ( 0.0000000 0.3372093 -0.0000000), wk = 0.0030120 k( 31) = ( 0.0000000 0.3488372 -0.0000000), wk = 0.0030120 k( 32) = ( 0.0000000 0.3604651 -0.0000000), wk = 0.0030120 k( 33) = ( 0.0000000 0.3720930 -0.0000000), wk = 0.0030120 k( 34) = ( 0.0000000 0.3837209 -0.0000000), wk = 0.0030120 k( 35) = ( 0.0000000 0.3953488 -0.0000000), wk = 0.0030120 k( 36) = ( 0.0000000 0.4069767 -0.0000000), wk = 0.0030120 k( 37) = ( 0.0000000 0.4186047 -0.0000000), wk = 0.0030120 k( 38) = ( 0.0000000 0.4302326 -0.0000000), wk = 0.0030120 k( 39) = ( 0.0000000 0.4418605 -0.0000000), wk = 0.0030120 k( 40) = ( 0.0000000 0.4534884 -0.0000000), wk = 0.0030120 k( 41) = ( 0.0000000 0.4651163 -0.0000000), wk = 0.0030120 k( 42) = ( 0.0000000 0.4767442 -0.0000000), wk = 0.0030120 k( 43) = ( 0.0000000 0.4883721 -0.0000000), wk = 0.0030120 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030120 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030120 k( 46) = ( 0.0116279 0.5000000 -0.0000000), wk = 0.0030120 k( 47) = ( 0.0232558 0.5000000 -0.0000000), wk = 0.0030120 k( 48) = ( 0.0348837 0.5000000 -0.0000000), wk = 0.0030120 k( 49) = ( 0.0465116 0.5000000 -0.0000000), wk = 0.0030120 k( 50) = ( 0.0581395 0.5000000 -0.0000000), wk = 0.0030120 k( 51) = ( 0.0697674 0.5000000 -0.0000000), wk = 0.0030120 k( 52) = ( 0.0813954 0.5000000 -0.0000000), wk = 0.0030120 k( 53) = ( 0.0930233 0.5000000 -0.0000000), wk = 0.0030120 k( 54) = ( 0.1046512 0.5000000 -0.0000000), wk = 0.0030120 k( 55) = ( 0.1162791 0.5000000 -0.0000000), wk = 0.0030120 k( 56) = ( 0.1279070 0.5000000 -0.0000000), wk = 0.0030120 k( 57) = ( 0.1395349 0.5000000 -0.0000000), wk = 0.0030120 k( 58) = ( 0.1511628 0.5000000 -0.0000000), wk = 0.0030120 k( 59) = ( 0.1627907 0.5000000 -0.0000000), wk = 0.0030120 k( 60) = ( 0.1744186 0.5000000 -0.0000000), wk = 0.0030120 k( 61) = ( 0.1860465 0.5000000 -0.0000000), wk = 0.0030120 k( 62) = ( 0.1976744 0.5000000 -0.0000000), wk = 0.0030120 k( 63) = ( 0.2093023 0.5000000 -0.0000000), wk = 0.0030120 k( 64) = ( 0.2209302 0.5000000 -0.0000000), wk = 0.0030120 k( 65) = ( 0.2325581 0.5000000 -0.0000000), wk = 0.0030120 k( 66) = ( 0.2441860 0.5000000 -0.0000000), wk = 0.0030120 k( 67) = ( 0.2558140 0.5000000 -0.0000000), wk = 0.0030120 k( 68) = ( 0.2674419 0.5000000 -0.0000000), wk = 0.0030120 k( 69) = ( 0.2790698 0.5000000 -0.0000000), wk = 0.0030120 k( 70) = ( 0.2906977 0.5000000 -0.0000000), wk = 0.0030120 k( 71) = ( 0.3023256 0.5000000 -0.0000000), wk = 0.0030120 k( 72) = ( 0.3139535 0.5000000 -0.0000000), wk = 0.0030120 k( 73) = ( 0.3255814 0.5000000 -0.0000000), wk = 0.0030120 k( 74) = ( 0.3372093 0.5000000 -0.0000000), wk = 0.0030120 k( 75) = ( 0.3488372 0.5000000 -0.0000000), wk = 0.0030120 k( 76) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0030120 k( 77) = ( 0.3720930 0.5000000 -0.0000000), wk = 0.0030120 k( 78) = ( 0.3837209 0.5000000 -0.0000000), wk = 0.0030120 k( 79) = ( 0.3953488 0.5000000 -0.0000000), wk = 0.0030120 k( 80) = ( 0.4069767 0.5000000 -0.0000000), wk = 0.0030120 k( 81) = ( 0.4186047 0.5000000 -0.0000000), wk = 0.0030120 k( 82) = ( 0.4302326 0.5000000 -0.0000000), wk = 0.0030120 k( 83) = ( 0.4418605 0.5000000 -0.0000000), wk = 0.0030120 k( 84) = ( 0.4534884 0.5000000 -0.0000000), wk = 0.0030120 k( 85) = ( 0.4651163 0.5000000 -0.0000000), wk = 0.0030120 k( 86) = ( 0.4767442 0.5000000 -0.0000000), wk = 0.0030120 k( 87) = ( 0.4883721 0.5000000 -0.0000000), wk = 0.0030120 k( 88) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030120 k( 89) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030120 k( 90) = ( 0.4918033 0.4918033 -0.0000000), wk = 0.0030120 k( 91) = ( 0.4836066 0.4836066 -0.0000000), wk = 0.0030120 k( 92) = ( 0.4754098 0.4754098 -0.0000000), wk = 0.0030120 k( 93) = ( 0.4672131 0.4672131 -0.0000000), wk = 0.0030120 k( 94) = ( 0.4590164 0.4590164 -0.0000000), wk = 0.0030120 k( 95) = ( 0.4508197 0.4508197 -0.0000000), wk = 0.0030120 k( 96) = ( 0.4426230 0.4426229 -0.0000000), wk = 0.0030120 k( 97) = ( 0.4344262 0.4344262 -0.0000000), wk = 0.0030120 k( 98) = ( 0.4262295 0.4262295 -0.0000000), wk = 0.0030120 k( 99) = ( 0.4180328 0.4180328 -0.0000000), wk = 0.0030120 k( 100) = ( 0.4098361 0.4098361 -0.0000000), wk = 0.0030120 k( 101) = ( 0.4016393 0.4016393 -0.0000000), wk = 0.0030120 k( 102) = ( 0.3934426 0.3934426 -0.0000000), wk = 0.0030120 k( 103) = ( 0.3852459 0.3852459 -0.0000000), wk = 0.0030120 k( 104) = ( 0.3770492 0.3770492 -0.0000000), wk = 0.0030120 k( 105) = ( 0.3688525 0.3688525 -0.0000000), wk = 0.0030120 k( 106) = ( 0.3606557 0.3606557 -0.0000000), wk = 0.0030120 k( 107) = ( 0.3524590 0.3524590 -0.0000000), wk = 0.0030120 k( 108) = ( 0.3442623 0.3442623 -0.0000000), wk = 0.0030120 k( 109) = ( 0.3360656 0.3360656 -0.0000000), wk = 0.0030120 k( 110) = ( 0.3278688 0.3278688 -0.0000000), wk = 0.0030120 k( 111) = ( 0.3196721 0.3196721 -0.0000000), wk = 0.0030120 k( 112) = ( 0.3114754 0.3114754 -0.0000000), wk = 0.0030120 k( 113) = ( 0.3032787 0.3032787 -0.0000000), wk = 0.0030120 k( 114) = ( 0.2950820 0.2950820 -0.0000000), wk = 0.0030120 k( 115) = ( 0.2868852 0.2868852 -0.0000000), wk = 0.0030120 k( 116) = ( 0.2786885 0.2786885 -0.0000000), wk = 0.0030120 k( 117) = ( 0.2704918 0.2704918 -0.0000000), wk = 0.0030120 k( 118) = ( 0.2622951 0.2622951 -0.0000000), wk = 0.0030120 k( 119) = ( 0.2540984 0.2540984 -0.0000000), wk = 0.0030120 k( 120) = ( 0.2459016 0.2459016 -0.0000000), wk = 0.0030120 k( 121) = ( 0.2377049 0.2377049 -0.0000000), wk = 0.0030120 k( 122) = ( 0.2295082 0.2295082 -0.0000000), wk = 0.0030120 k( 123) = ( 0.2213115 0.2213115 -0.0000000), wk = 0.0030120 k( 124) = ( 0.2131147 0.2131147 -0.0000000), wk = 0.0030120 k( 125) = ( 0.2049180 0.2049180 -0.0000000), wk = 0.0030120 k( 126) = ( 0.1967213 0.1967213 -0.0000000), wk = 0.0030120 k( 127) = ( 0.1885246 0.1885246 -0.0000000), wk = 0.0030120 k( 128) = ( 0.1803279 0.1803279 -0.0000000), wk = 0.0030120 k( 129) = ( 0.1721312 0.1721311 -0.0000000), wk = 0.0030120 k( 130) = ( 0.1639344 0.1639344 -0.0000000), wk = 0.0030120 k( 131) = ( 0.1557377 0.1557377 -0.0000000), wk = 0.0030120 k( 132) = ( 0.1475410 0.1475410 -0.0000000), wk = 0.0030120 k( 133) = ( 0.1393443 0.1393443 -0.0000000), wk = 0.0030120 k( 134) = ( 0.1311475 0.1311475 -0.0000000), wk = 0.0030120 k( 135) = ( 0.1229508 0.1229508 -0.0000000), wk = 0.0030120 k( 136) = ( 0.1147541 0.1147541 -0.0000000), wk = 0.0030120 k( 137) = ( 0.1065574 0.1065574 -0.0000000), wk = 0.0030120 k( 138) = ( 0.0983607 0.0983607 -0.0000000), wk = 0.0030120 k( 139) = ( 0.0901639 0.0901639 -0.0000000), wk = 0.0030120 k( 140) = ( 0.0819672 0.0819672 -0.0000000), wk = 0.0030120 k( 141) = ( 0.0737705 0.0737705 -0.0000000), wk = 0.0030120 k( 142) = ( 0.0655738 0.0655738 -0.0000000), wk = 0.0030120 k( 143) = ( 0.0573770 0.0573770 -0.0000000), wk = 0.0030120 k( 144) = ( 0.0491803 0.0491803 -0.0000000), wk = 0.0030120 k( 145) = ( 0.0409836 0.0409836 -0.0000000), wk = 0.0030120 k( 146) = ( 0.0327869 0.0327869 -0.0000000), wk = 0.0030120 k( 147) = ( 0.0245902 0.0245902 -0.0000000), wk = 0.0030120 k( 148) = ( 0.0163934 0.0163934 -0.0000000), wk = 0.0030120 k( 149) = ( 0.0081967 0.0081967 -0.0000000), wk = 0.0030120 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 152) = ( 0.0066667 0.0066667 0.0066667), wk = 0.0030120 k( 153) = ( 0.0133333 0.0133333 0.0133333), wk = 0.0030120 k( 154) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0030120 k( 155) = ( 0.0266667 0.0266667 0.0266667), wk = 0.0030120 k( 156) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0030120 k( 157) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0030120 k( 158) = ( 0.0466667 0.0466667 0.0466667), wk = 0.0030120 k( 159) = ( 0.0533333 0.0533333 0.0533333), wk = 0.0030120 k( 160) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0030120 k( 161) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0030120 k( 162) = ( 0.0733333 0.0733333 0.0733333), wk = 0.0030120 k( 163) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0030120 k( 164) = ( 0.0866667 0.0866667 0.0866667), wk = 0.0030120 k( 165) = ( 0.0933333 0.0933333 0.0933333), wk = 0.0030120 k( 166) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0030120 k( 167) = ( 0.1066667 0.1066667 0.1066667), wk = 0.0030120 k( 168) = ( 0.1133333 0.1133333 0.1133333), wk = 0.0030120 k( 169) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0030120 k( 170) = ( 0.1266667 0.1266667 0.1266667), wk = 0.0030120 k( 171) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0030120 k( 172) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0030120 k( 173) = ( 0.1466667 0.1466667 0.1466667), wk = 0.0030120 k( 174) = ( 0.1533333 0.1533333 0.1533333), wk = 0.0030120 k( 175) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0030120 k( 176) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0030120 k( 177) = ( 0.1733333 0.1733333 0.1733333), wk = 0.0030120 k( 178) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0030120 k( 179) = ( 0.1866667 0.1866667 0.1866667), wk = 0.0030120 k( 180) = ( 0.1933333 0.1933333 0.1933333), wk = 0.0030120 k( 181) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0030120 k( 182) = ( 0.2066667 0.2066667 0.2066667), wk = 0.0030120 k( 183) = ( 0.2133333 0.2133333 0.2133333), wk = 0.0030120 k( 184) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0030120 k( 185) = ( 0.2266667 0.2266667 0.2266667), wk = 0.0030120 k( 186) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0030120 k( 187) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0030120 k( 188) = ( 0.2466667 0.2466667 0.2466667), wk = 0.0030120 k( 189) = ( 0.2533333 0.2533333 0.2533333), wk = 0.0030120 k( 190) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0030120 k( 191) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0030120 k( 192) = ( 0.2733333 0.2733333 0.2733333), wk = 0.0030120 k( 193) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0030120 k( 194) = ( 0.2866667 0.2866667 0.2866667), wk = 0.0030120 k( 195) = ( 0.2933333 0.2933333 0.2933333), wk = 0.0030120 k( 196) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0030120 k( 197) = ( 0.3066667 0.3066667 0.3066667), wk = 0.0030120 k( 198) = ( 0.3133333 0.3133333 0.3133333), wk = 0.0030120 k( 199) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0030120 k( 200) = ( 0.3266667 0.3266667 0.3266667), wk = 0.0030120 k( 201) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0030120 k( 202) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0030120 k( 203) = ( 0.3466667 0.3466667 0.3466667), wk = 0.0030120 k( 204) = ( 0.3533333 0.3533333 0.3533333), wk = 0.0030120 k( 205) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0030120 k( 206) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0030120 k( 207) = ( 0.3733333 0.3733333 0.3733333), wk = 0.0030120 k( 208) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0030120 k( 209) = ( 0.3866667 0.3866667 0.3866667), wk = 0.0030120 k( 210) = ( 0.3933333 0.3933333 0.3933333), wk = 0.0030120 k( 211) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0030120 k( 212) = ( 0.4066667 0.4066667 0.4066667), wk = 0.0030120 k( 213) = ( 0.4133333 0.4133333 0.4133333), wk = 0.0030120 k( 214) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0030120 k( 215) = ( 0.4266667 0.4266667 0.4266667), wk = 0.0030120 k( 216) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0030120 k( 217) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0030120 k( 218) = ( 0.4466667 0.4466667 0.4466667), wk = 0.0030120 k( 219) = ( 0.4533333 0.4533333 0.4533333), wk = 0.0030120 k( 220) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0030120 k( 221) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0030120 k( 222) = ( 0.4733333 0.4733333 0.4733333), wk = 0.0030120 k( 223) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0030120 k( 224) = ( 0.4866667 0.4866667 0.4866667), wk = 0.0030120 k( 225) = ( 0.4933333 0.4933333 0.4933333), wk = 0.0030120 k( 226) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 227) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 228) = ( 0.4918033 0.5000000 0.4918033), wk = 0.0030120 k( 229) = ( 0.4836066 0.5000000 0.4836066), wk = 0.0030120 k( 230) = ( 0.4754098 0.5000000 0.4754098), wk = 0.0030120 k( 231) = ( 0.4672131 0.5000000 0.4672131), wk = 0.0030120 k( 232) = ( 0.4590164 0.5000000 0.4590164), wk = 0.0030120 k( 233) = ( 0.4508197 0.5000000 0.4508197), wk = 0.0030120 k( 234) = ( 0.4426230 0.5000000 0.4426229), wk = 0.0030120 k( 235) = ( 0.4344262 0.5000000 0.4344262), wk = 0.0030120 k( 236) = ( 0.4262295 0.5000000 0.4262295), wk = 0.0030120 k( 237) = ( 0.4180328 0.5000000 0.4180328), wk = 0.0030120 k( 238) = ( 0.4098361 0.5000000 0.4098361), wk = 0.0030120 k( 239) = ( 0.4016393 0.5000000 0.4016393), wk = 0.0030120 k( 240) = ( 0.3934426 0.5000000 0.3934426), wk = 0.0030120 k( 241) = ( 0.3852459 0.5000000 0.3852459), wk = 0.0030120 k( 242) = ( 0.3770492 0.5000000 0.3770492), wk = 0.0030120 k( 243) = ( 0.3688525 0.5000000 0.3688525), wk = 0.0030120 k( 244) = ( 0.3606557 0.5000000 0.3606557), wk = 0.0030120 k( 245) = ( 0.3524590 0.5000000 0.3524590), wk = 0.0030120 k( 246) = ( 0.3442623 0.5000000 0.3442623), wk = 0.0030120 k( 247) = ( 0.3360656 0.5000000 0.3360656), wk = 0.0030120 k( 248) = ( 0.3278688 0.5000000 0.3278688), wk = 0.0030120 k( 249) = ( 0.3196721 0.5000000 0.3196721), wk = 0.0030120 k( 250) = ( 0.3114754 0.5000000 0.3114754), wk = 0.0030120 k( 251) = ( 0.3032787 0.5000000 0.3032787), wk = 0.0030120 k( 252) = ( 0.2950820 0.5000000 0.2950820), wk = 0.0030120 k( 253) = ( 0.2868852 0.5000000 0.2868852), wk = 0.0030120 k( 254) = ( 0.2786885 0.5000000 0.2786885), wk = 0.0030120 k( 255) = ( 0.2704918 0.5000000 0.2704918), wk = 0.0030120 k( 256) = ( 0.2622951 0.5000000 0.2622951), wk = 0.0030120 k( 257) = ( 0.2540984 0.5000000 0.2540984), wk = 0.0030120 k( 258) = ( 0.2459016 0.5000000 0.2459016), wk = 0.0030120 k( 259) = ( 0.2377049 0.5000000 0.2377049), wk = 0.0030120 k( 260) = ( 0.2295082 0.5000000 0.2295082), wk = 0.0030120 k( 261) = ( 0.2213115 0.5000000 0.2213115), wk = 0.0030120 k( 262) = ( 0.2131147 0.5000000 0.2131147), wk = 0.0030120 k( 263) = ( 0.2049180 0.5000000 0.2049180), wk = 0.0030120 k( 264) = ( 0.1967213 0.5000000 0.1967213), wk = 0.0030120 k( 265) = ( 0.1885246 0.5000000 0.1885246), wk = 0.0030120 k( 266) = ( 0.1803279 0.5000000 0.1803279), wk = 0.0030120 k( 267) = ( 0.1721312 0.5000000 0.1721311), wk = 0.0030120 k( 268) = ( 0.1639344 0.5000000 0.1639344), wk = 0.0030120 k( 269) = ( 0.1557377 0.5000000 0.1557377), wk = 0.0030120 k( 270) = ( 0.1475410 0.5000000 0.1475410), wk = 0.0030120 k( 271) = ( 0.1393443 0.5000000 0.1393443), wk = 0.0030120 k( 272) = ( 0.1311475 0.5000000 0.1311475), wk = 0.0030120 k( 273) = ( 0.1229508 0.5000000 0.1229508), wk = 0.0030120 k( 274) = ( 0.1147541 0.5000000 0.1147541), wk = 0.0030120 k( 275) = ( 0.1065574 0.5000000 0.1065574), wk = 0.0030120 k( 276) = ( 0.0983607 0.5000000 0.0983607), wk = 0.0030120 k( 277) = ( 0.0901639 0.5000000 0.0901639), wk = 0.0030120 k( 278) = ( 0.0819672 0.5000000 0.0819672), wk = 0.0030120 k( 279) = ( 0.0737705 0.5000000 0.0737705), wk = 0.0030120 k( 280) = ( 0.0655738 0.5000000 0.0655738), wk = 0.0030120 k( 281) = ( 0.0573770 0.5000000 0.0573770), wk = 0.0030120 k( 282) = ( 0.0491803 0.5000000 0.0491803), wk = 0.0030120 k( 283) = ( 0.0409836 0.5000000 0.0409836), wk = 0.0030120 k( 284) = ( 0.0327869 0.5000000 0.0327869), wk = 0.0030120 k( 285) = ( 0.0245902 0.5000000 0.0245902), wk = 0.0030120 k( 286) = ( 0.0163934 0.5000000 0.0163934), wk = 0.0030120 k( 287) = ( 0.0081967 0.5000000 0.0081967), wk = 0.0030120 k( 288) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0030120 k( 289) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0030120 k( 290) = ( 0.5000000 0.5000000 0.0116279), wk = 0.0030120 k( 291) = ( 0.5000000 0.5000000 0.0232558), wk = 0.0030120 k( 292) = ( 0.5000000 0.5000000 0.0348837), wk = 0.0030120 k( 293) = ( 0.5000000 0.5000000 0.0465116), wk = 0.0030120 k( 294) = ( 0.5000000 0.5000000 0.0581395), wk = 0.0030120 k( 295) = ( 0.5000000 0.5000000 0.0697674), wk = 0.0030120 k( 296) = ( 0.5000000 0.5000000 0.0813953), wk = 0.0030120 k( 297) = ( 0.5000000 0.5000000 0.0930233), wk = 0.0030120 k( 298) = ( 0.5000000 0.5000000 0.1046512), wk = 0.0030120 k( 299) = ( 0.5000000 0.5000000 0.1162791), wk = 0.0030120 k( 300) = ( 0.5000000 0.5000000 0.1279070), wk = 0.0030120 k( 301) = ( 0.5000000 0.5000000 0.1395349), wk = 0.0030120 k( 302) = ( 0.5000000 0.5000000 0.1511628), wk = 0.0030120 k( 303) = ( 0.5000000 0.5000000 0.1627907), wk = 0.0030120 k( 304) = ( 0.5000000 0.5000000 0.1744186), wk = 0.0030120 k( 305) = ( 0.5000000 0.5000000 0.1860465), wk = 0.0030120 k( 306) = ( 0.5000000 0.5000000 0.1976744), wk = 0.0030120 k( 307) = ( 0.5000000 0.5000000 0.2093023), wk = 0.0030120 k( 308) = ( 0.5000000 0.5000000 0.2209302), wk = 0.0030120 k( 309) = ( 0.5000000 0.5000000 0.2325581), wk = 0.0030120 k( 310) = ( 0.5000000 0.5000000 0.2441860), wk = 0.0030120 k( 311) = ( 0.5000000 0.5000000 0.2558139), wk = 0.0030120 k( 312) = ( 0.5000000 0.5000000 0.2674419), wk = 0.0030120 k( 313) = ( 0.5000000 0.5000000 0.2790698), wk = 0.0030120 k( 314) = ( 0.5000000 0.5000000 0.2906977), wk = 0.0030120 k( 315) = ( 0.5000000 0.5000000 0.3023256), wk = 0.0030120 k( 316) = ( 0.5000000 0.5000000 0.3139535), wk = 0.0030120 k( 317) = ( 0.5000000 0.5000000 0.3255814), wk = 0.0030120 k( 318) = ( 0.5000000 0.5000000 0.3372093), wk = 0.0030120 k( 319) = ( 0.5000000 0.5000000 0.3488372), wk = 0.0030120 k( 320) = ( 0.5000000 0.5000000 0.3604651), wk = 0.0030120 k( 321) = ( 0.5000000 0.5000000 0.3720930), wk = 0.0030120 k( 322) = ( 0.5000000 0.5000000 0.3837209), wk = 0.0030120 k( 323) = ( 0.5000000 0.5000000 0.3953488), wk = 0.0030120 k( 324) = ( 0.5000000 0.5000000 0.4069767), wk = 0.0030120 k( 325) = ( 0.5000000 0.5000000 0.4186046), wk = 0.0030120 k( 326) = ( 0.5000000 0.5000000 0.4302326), wk = 0.0030120 k( 327) = ( 0.5000000 0.5000000 0.4418605), wk = 0.0030120 k( 328) = ( 0.5000000 0.5000000 0.4534884), wk = 0.0030120 k( 329) = ( 0.5000000 0.5000000 0.4651163), wk = 0.0030120 k( 330) = ( 0.5000000 0.5000000 0.4767442), wk = 0.0030120 k( 331) = ( 0.5000000 0.5000000 0.4883721), wk = 0.0030120 k( 332) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 2) = ( 0.0000000 0.0116279 0.0000000), wk = 0.0030120 k( 3) = ( 0.0000000 0.0232558 0.0000000), wk = 0.0030120 k( 4) = ( 0.0000000 0.0348837 0.0000000), wk = 0.0030120 k( 5) = ( 0.0000000 0.0465116 0.0000000), wk = 0.0030120 k( 6) = ( 0.0000000 0.0581395 0.0000000), wk = 0.0030120 k( 7) = ( 0.0000000 0.0697674 0.0000000), wk = 0.0030120 k( 8) = ( 0.0000000 0.0813954 0.0000000), wk = 0.0030120 k( 9) = ( 0.0000000 0.0930233 0.0000000), wk = 0.0030120 k( 10) = ( 0.0000000 0.1046512 0.0000000), wk = 0.0030120 k( 11) = ( 0.0000000 0.1162791 0.0000000), wk = 0.0030120 k( 12) = ( 0.0000000 0.1279070 0.0000000), wk = 0.0030120 k( 13) = ( 0.0000000 0.1395349 0.0000000), wk = 0.0030120 k( 14) = ( 0.0000000 0.1511628 0.0000000), wk = 0.0030120 k( 15) = ( 0.0000000 0.1627907 0.0000000), wk = 0.0030120 k( 16) = ( 0.0000000 0.1744186 0.0000000), wk = 0.0030120 k( 17) = ( 0.0000000 0.1860465 0.0000000), wk = 0.0030120 k( 18) = ( 0.0000000 0.1976744 0.0000000), wk = 0.0030120 k( 19) = ( 0.0000000 0.2093023 0.0000000), wk = 0.0030120 k( 20) = ( 0.0000000 0.2209302 0.0000000), wk = 0.0030120 k( 21) = ( 0.0000000 0.2325581 0.0000000), wk = 0.0030120 k( 22) = ( 0.0000000 0.2441860 0.0000000), wk = 0.0030120 k( 23) = ( 0.0000000 0.2558140 0.0000000), wk = 0.0030120 k( 24) = ( 0.0000000 0.2674419 0.0000000), wk = 0.0030120 k( 25) = ( 0.0000000 0.2790698 0.0000000), wk = 0.0030120 k( 26) = ( 0.0000000 0.2906977 0.0000000), wk = 0.0030120 k( 27) = ( 0.0000000 0.3023256 0.0000000), wk = 0.0030120 k( 28) = ( 0.0000000 0.3139535 0.0000000), wk = 0.0030120 k( 29) = ( 0.0000000 0.3255814 0.0000000), wk = 0.0030120 k( 30) = ( 0.0000000 0.3372093 0.0000000), wk = 0.0030120 k( 31) = ( 0.0000000 0.3488372 0.0000000), wk = 0.0030120 k( 32) = ( 0.0000000 0.3604651 0.0000000), wk = 0.0030120 k( 33) = ( 0.0000000 0.3720930 0.0000000), wk = 0.0030120 k( 34) = ( 0.0000000 0.3837209 0.0000000), wk = 0.0030120 k( 35) = ( 0.0000000 0.3953488 0.0000000), wk = 0.0030120 k( 36) = ( 0.0000000 0.4069767 0.0000000), wk = 0.0030120 k( 37) = ( 0.0000000 0.4186047 0.0000000), wk = 0.0030120 k( 38) = ( 0.0000000 0.4302326 0.0000000), wk = 0.0030120 k( 39) = ( 0.0000000 0.4418605 0.0000000), wk = 0.0030120 k( 40) = ( 0.0000000 0.4534884 0.0000000), wk = 0.0030120 k( 41) = ( 0.0000000 0.4651163 0.0000000), wk = 0.0030120 k( 42) = ( 0.0000000 0.4767442 0.0000000), wk = 0.0030120 k( 43) = ( 0.0000000 0.4883721 0.0000000), wk = 0.0030120 k( 44) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030120 k( 45) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030120 k( 46) = ( 0.0116279 0.5000000 0.0000000), wk = 0.0030120 k( 47) = ( 0.0232558 0.5000000 0.0000000), wk = 0.0030120 k( 48) = ( 0.0348837 0.5000000 0.0000000), wk = 0.0030120 k( 49) = ( 0.0465116 0.5000000 0.0000000), wk = 0.0030120 k( 50) = ( 0.0581395 0.5000000 0.0000000), wk = 0.0030120 k( 51) = ( 0.0697674 0.5000000 0.0000000), wk = 0.0030120 k( 52) = ( 0.0813954 0.5000000 0.0000000), wk = 0.0030120 k( 53) = ( 0.0930233 0.5000000 0.0000000), wk = 0.0030120 k( 54) = ( 0.1046512 0.5000000 0.0000000), wk = 0.0030120 k( 55) = ( 0.1162791 0.5000000 0.0000000), wk = 0.0030120 k( 56) = ( 0.1279070 0.5000000 0.0000000), wk = 0.0030120 k( 57) = ( 0.1395349 0.5000000 0.0000000), wk = 0.0030120 k( 58) = ( 0.1511628 0.5000000 0.0000000), wk = 0.0030120 k( 59) = ( 0.1627907 0.5000000 0.0000000), wk = 0.0030120 k( 60) = ( 0.1744186 0.5000000 0.0000000), wk = 0.0030120 k( 61) = ( 0.1860465 0.5000000 0.0000000), wk = 0.0030120 k( 62) = ( 0.1976744 0.5000000 0.0000000), wk = 0.0030120 k( 63) = ( 0.2093023 0.5000000 0.0000000), wk = 0.0030120 k( 64) = ( 0.2209302 0.5000000 0.0000000), wk = 0.0030120 k( 65) = ( 0.2325581 0.5000000 0.0000000), wk = 0.0030120 k( 66) = ( 0.2441860 0.5000000 0.0000000), wk = 0.0030120 k( 67) = ( 0.2558140 0.5000000 0.0000000), wk = 0.0030120 k( 68) = ( 0.2674419 0.5000000 0.0000000), wk = 0.0030120 k( 69) = ( 0.2790698 0.5000000 0.0000000), wk = 0.0030120 k( 70) = ( 0.2906977 0.5000000 0.0000000), wk = 0.0030120 k( 71) = ( 0.3023256 0.5000000 0.0000000), wk = 0.0030120 k( 72) = ( 0.3139535 0.5000000 0.0000000), wk = 0.0030120 k( 73) = ( 0.3255814 0.5000000 0.0000000), wk = 0.0030120 k( 74) = ( 0.3372093 0.5000000 0.0000000), wk = 0.0030120 k( 75) = ( 0.3488372 0.5000000 0.0000000), wk = 0.0030120 k( 76) = ( 0.3604651 0.5000000 -0.0000000), wk = 0.0030120 k( 77) = ( 0.3720930 0.5000000 0.0000000), wk = 0.0030120 k( 78) = ( 0.3837209 0.5000000 0.0000000), wk = 0.0030120 k( 79) = ( 0.3953488 0.5000000 0.0000000), wk = 0.0030120 k( 80) = ( 0.4069767 0.5000000 0.0000000), wk = 0.0030120 k( 81) = ( 0.4186047 0.5000000 0.0000000), wk = 0.0030120 k( 82) = ( 0.4302326 0.5000000 0.0000000), wk = 0.0030120 k( 83) = ( 0.4418605 0.5000000 0.0000000), wk = 0.0030120 k( 84) = ( 0.4534884 0.5000000 0.0000000), wk = 0.0030120 k( 85) = ( 0.4651163 0.5000000 0.0000000), wk = 0.0030120 k( 86) = ( 0.4767442 0.5000000 0.0000000), wk = 0.0030120 k( 87) = ( 0.4883721 0.5000000 0.0000000), wk = 0.0030120 k( 88) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030120 k( 89) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030120 k( 90) = ( 0.4918033 0.4918033 0.0000000), wk = 0.0030120 k( 91) = ( 0.4836066 0.4836066 0.0000000), wk = 0.0030120 k( 92) = ( 0.4754098 0.4754098 0.0000000), wk = 0.0030120 k( 93) = ( 0.4672131 0.4672131 0.0000000), wk = 0.0030120 k( 94) = ( 0.4590164 0.4590164 0.0000000), wk = 0.0030120 k( 95) = ( 0.4508197 0.4508197 0.0000000), wk = 0.0030120 k( 96) = ( 0.4426230 0.4426230 0.0000000), wk = 0.0030120 k( 97) = ( 0.4344262 0.4344262 0.0000000), wk = 0.0030120 k( 98) = ( 0.4262295 0.4262295 0.0000000), wk = 0.0030120 k( 99) = ( 0.4180328 0.4180328 0.0000000), wk = 0.0030120 k( 100) = ( 0.4098361 0.4098361 0.0000000), wk = 0.0030120 k( 101) = ( 0.4016393 0.4016393 -0.0000000), wk = 0.0030120 k( 102) = ( 0.3934426 0.3934426 0.0000000), wk = 0.0030120 k( 103) = ( 0.3852459 0.3852459 0.0000000), wk = 0.0030120 k( 104) = ( 0.3770492 0.3770492 0.0000000), wk = 0.0030120 k( 105) = ( 0.3688525 0.3688525 0.0000000), wk = 0.0030120 k( 106) = ( 0.3606557 0.3606557 -0.0000000), wk = 0.0030120 k( 107) = ( 0.3524590 0.3524590 0.0000000), wk = 0.0030120 k( 108) = ( 0.3442623 0.3442623 0.0000000), wk = 0.0030120 k( 109) = ( 0.3360656 0.3360656 -0.0000000), wk = 0.0030120 k( 110) = ( 0.3278688 0.3278688 0.0000000), wk = 0.0030120 k( 111) = ( 0.3196721 0.3196721 0.0000000), wk = 0.0030120 k( 112) = ( 0.3114754 0.3114754 0.0000000), wk = 0.0030120 k( 113) = ( 0.3032787 0.3032787 0.0000000), wk = 0.0030120 k( 114) = ( 0.2950820 0.2950820 0.0000000), wk = 0.0030120 k( 115) = ( 0.2868852 0.2868852 0.0000000), wk = 0.0030120 k( 116) = ( 0.2786885 0.2786885 0.0000000), wk = 0.0030120 k( 117) = ( 0.2704918 0.2704918 0.0000000), wk = 0.0030120 k( 118) = ( 0.2622951 0.2622951 0.0000000), wk = 0.0030120 k( 119) = ( 0.2540984 0.2540984 0.0000000), wk = 0.0030120 k( 120) = ( 0.2459016 0.2459016 0.0000000), wk = 0.0030120 k( 121) = ( 0.2377049 0.2377049 0.0000000), wk = 0.0030120 k( 122) = ( 0.2295082 0.2295082 -0.0000000), wk = 0.0030120 k( 123) = ( 0.2213115 0.2213115 0.0000000), wk = 0.0030120 k( 124) = ( 0.2131147 0.2131147 0.0000000), wk = 0.0030120 k( 125) = ( 0.2049180 0.2049180 0.0000000), wk = 0.0030120 k( 126) = ( 0.1967213 0.1967213 0.0000000), wk = 0.0030120 k( 127) = ( 0.1885246 0.1885246 0.0000000), wk = 0.0030120 k( 128) = ( 0.1803279 0.1803279 -0.0000000), wk = 0.0030120 k( 129) = ( 0.1721312 0.1721312 0.0000000), wk = 0.0030120 k( 130) = ( 0.1639344 0.1639344 0.0000000), wk = 0.0030120 k( 131) = ( 0.1557377 0.1557377 0.0000000), wk = 0.0030120 k( 132) = ( 0.1475410 0.1475410 0.0000000), wk = 0.0030120 k( 133) = ( 0.1393443 0.1393443 0.0000000), wk = 0.0030120 k( 134) = ( 0.1311475 0.1311475 0.0000000), wk = 0.0030120 k( 135) = ( 0.1229508 0.1229508 0.0000000), wk = 0.0030120 k( 136) = ( 0.1147541 0.1147541 -0.0000000), wk = 0.0030120 k( 137) = ( 0.1065574 0.1065574 0.0000000), wk = 0.0030120 k( 138) = ( 0.0983607 0.0983607 0.0000000), wk = 0.0030120 k( 139) = ( 0.0901639 0.0901639 0.0000000), wk = 0.0030120 k( 140) = ( 0.0819672 0.0819672 0.0000000), wk = 0.0030120 k( 141) = ( 0.0737705 0.0737705 0.0000000), wk = 0.0030120 k( 142) = ( 0.0655738 0.0655738 0.0000000), wk = 0.0030120 k( 143) = ( 0.0573770 0.0573770 -0.0000000), wk = 0.0030120 k( 144) = ( 0.0491803 0.0491803 0.0000000), wk = 0.0030120 k( 145) = ( 0.0409836 0.0409836 0.0000000), wk = 0.0030120 k( 146) = ( 0.0327869 0.0327869 0.0000000), wk = 0.0030120 k( 147) = ( 0.0245902 0.0245902 0.0000000), wk = 0.0030120 k( 148) = ( 0.0163934 0.0163934 0.0000000), wk = 0.0030120 k( 149) = ( 0.0081967 0.0081967 0.0000000), wk = 0.0030120 k( 150) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 151) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030120 k( 152) = ( 0.0066667 0.0066667 0.0066667), wk = 0.0030120 k( 153) = ( 0.0133333 0.0133333 0.0133333), wk = 0.0030120 k( 154) = ( 0.0200000 0.0200000 0.0200000), wk = 0.0030120 k( 155) = ( 0.0266667 0.0266667 0.0266667), wk = 0.0030120 k( 156) = ( 0.0333333 0.0333333 0.0333333), wk = 0.0030120 k( 157) = ( 0.0400000 0.0400000 0.0400000), wk = 0.0030120 k( 158) = ( 0.0466667 0.0466667 0.0466667), wk = 0.0030120 k( 159) = ( 0.0533333 0.0533333 0.0533333), wk = 0.0030120 k( 160) = ( 0.0600000 0.0600000 0.0600000), wk = 0.0030120 k( 161) = ( 0.0666667 0.0666667 0.0666667), wk = 0.0030120 k( 162) = ( 0.0733333 0.0733333 0.0733333), wk = 0.0030120 k( 163) = ( 0.0800000 0.0800000 0.0800000), wk = 0.0030120 k( 164) = ( 0.0866667 0.0866667 0.0866667), wk = 0.0030120 k( 165) = ( 0.0933333 0.0933333 0.0933333), wk = 0.0030120 k( 166) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0030120 k( 167) = ( 0.1066667 0.1066667 0.1066667), wk = 0.0030120 k( 168) = ( 0.1133333 0.1133333 0.1133333), wk = 0.0030120 k( 169) = ( 0.1200000 0.1200000 0.1200000), wk = 0.0030120 k( 170) = ( 0.1266667 0.1266667 0.1266667), wk = 0.0030120 k( 171) = ( 0.1333333 0.1333333 0.1333333), wk = 0.0030120 k( 172) = ( 0.1400000 0.1400000 0.1400000), wk = 0.0030120 k( 173) = ( 0.1466667 0.1466667 0.1466667), wk = 0.0030120 k( 174) = ( 0.1533333 0.1533333 0.1533333), wk = 0.0030120 k( 175) = ( 0.1600000 0.1600000 0.1600000), wk = 0.0030120 k( 176) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0030120 k( 177) = ( 0.1733333 0.1733333 0.1733333), wk = 0.0030120 k( 178) = ( 0.1800000 0.1800000 0.1800000), wk = 0.0030120 k( 179) = ( 0.1866667 0.1866667 0.1866667), wk = 0.0030120 k( 180) = ( 0.1933333 0.1933333 0.1933333), wk = 0.0030120 k( 181) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0030120 k( 182) = ( 0.2066667 0.2066667 0.2066667), wk = 0.0030120 k( 183) = ( 0.2133333 0.2133333 0.2133333), wk = 0.0030120 k( 184) = ( 0.2200000 0.2200000 0.2200000), wk = 0.0030120 k( 185) = ( 0.2266667 0.2266667 0.2266667), wk = 0.0030120 k( 186) = ( 0.2333333 0.2333333 0.2333333), wk = 0.0030120 k( 187) = ( 0.2400000 0.2400000 0.2400000), wk = 0.0030120 k( 188) = ( 0.2466667 0.2466667 0.2466667), wk = 0.0030120 k( 189) = ( 0.2533333 0.2533333 0.2533333), wk = 0.0030120 k( 190) = ( 0.2600000 0.2600000 0.2600000), wk = 0.0030120 k( 191) = ( 0.2666667 0.2666667 0.2666667), wk = 0.0030120 k( 192) = ( 0.2733333 0.2733333 0.2733333), wk = 0.0030120 k( 193) = ( 0.2800000 0.2800000 0.2800000), wk = 0.0030120 k( 194) = ( 0.2866667 0.2866667 0.2866667), wk = 0.0030120 k( 195) = ( 0.2933333 0.2933333 0.2933333), wk = 0.0030120 k( 196) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0030120 k( 197) = ( 0.3066667 0.3066667 0.3066667), wk = 0.0030120 k( 198) = ( 0.3133333 0.3133333 0.3133333), wk = 0.0030120 k( 199) = ( 0.3200000 0.3200000 0.3200000), wk = 0.0030120 k( 200) = ( 0.3266667 0.3266667 0.3266667), wk = 0.0030120 k( 201) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0030120 k( 202) = ( 0.3400000 0.3400000 0.3400000), wk = 0.0030120 k( 203) = ( 0.3466667 0.3466667 0.3466667), wk = 0.0030120 k( 204) = ( 0.3533333 0.3533333 0.3533333), wk = 0.0030120 k( 205) = ( 0.3600000 0.3600000 0.3600000), wk = 0.0030120 k( 206) = ( 0.3666667 0.3666667 0.3666667), wk = 0.0030120 k( 207) = ( 0.3733333 0.3733333 0.3733333), wk = 0.0030120 k( 208) = ( 0.3800000 0.3800000 0.3800000), wk = 0.0030120 k( 209) = ( 0.3866667 0.3866667 0.3866667), wk = 0.0030120 k( 210) = ( 0.3933333 0.3933333 0.3933333), wk = 0.0030120 k( 211) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0030120 k( 212) = ( 0.4066667 0.4066667 0.4066667), wk = 0.0030120 k( 213) = ( 0.4133333 0.4133333 0.4133333), wk = 0.0030120 k( 214) = ( 0.4200000 0.4200000 0.4200000), wk = 0.0030120 k( 215) = ( 0.4266667 0.4266667 0.4266667), wk = 0.0030120 k( 216) = ( 0.4333333 0.4333333 0.4333333), wk = 0.0030120 k( 217) = ( 0.4400000 0.4400000 0.4400000), wk = 0.0030120 k( 218) = ( 0.4466667 0.4466667 0.4466667), wk = 0.0030120 k( 219) = ( 0.4533333 0.4533333 0.4533333), wk = 0.0030120 k( 220) = ( 0.4600000 0.4600000 0.4600000), wk = 0.0030120 k( 221) = ( 0.4666667 0.4666667 0.4666667), wk = 0.0030120 k( 222) = ( 0.4733333 0.4733333 0.4733333), wk = 0.0030120 k( 223) = ( 0.4800000 0.4800000 0.4800000), wk = 0.0030120 k( 224) = ( 0.4866667 0.4866667 0.4866667), wk = 0.0030120 k( 225) = ( 0.4933333 0.4933333 0.4933333), wk = 0.0030120 k( 226) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 227) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 k( 228) = ( 0.4918033 0.5000000 0.4918033), wk = 0.0030120 k( 229) = ( 0.4836066 0.5000000 0.4836066), wk = 0.0030120 k( 230) = ( 0.4754098 0.5000000 0.4754098), wk = 0.0030120 k( 231) = ( 0.4672131 0.5000000 0.4672131), wk = 0.0030120 k( 232) = ( 0.4590164 0.5000000 0.4590164), wk = 0.0030120 k( 233) = ( 0.4508197 0.5000000 0.4508197), wk = 0.0030120 k( 234) = ( 0.4426230 0.5000000 0.4426230), wk = 0.0030120 k( 235) = ( 0.4344262 0.5000000 0.4344262), wk = 0.0030120 k( 236) = ( 0.4262295 0.5000000 0.4262295), wk = 0.0030120 k( 237) = ( 0.4180328 0.5000000 0.4180328), wk = 0.0030120 k( 238) = ( 0.4098361 0.5000000 0.4098361), wk = 0.0030120 k( 239) = ( 0.4016393 0.5000000 0.4016393), wk = 0.0030120 k( 240) = ( 0.3934426 0.5000000 0.3934426), wk = 0.0030120 k( 241) = ( 0.3852459 0.5000000 0.3852459), wk = 0.0030120 k( 242) = ( 0.3770492 0.5000000 0.3770492), wk = 0.0030120 k( 243) = ( 0.3688525 0.5000000 0.3688525), wk = 0.0030120 k( 244) = ( 0.3606557 0.5000000 0.3606557), wk = 0.0030120 k( 245) = ( 0.3524590 0.5000000 0.3524590), wk = 0.0030120 k( 246) = ( 0.3442623 0.5000000 0.3442623), wk = 0.0030120 k( 247) = ( 0.3360656 0.5000000 0.3360656), wk = 0.0030120 k( 248) = ( 0.3278688 0.5000000 0.3278688), wk = 0.0030120 k( 249) = ( 0.3196721 0.5000000 0.3196721), wk = 0.0030120 k( 250) = ( 0.3114754 0.5000000 0.3114754), wk = 0.0030120 k( 251) = ( 0.3032787 0.5000000 0.3032787), wk = 0.0030120 k( 252) = ( 0.2950820 0.5000000 0.2950820), wk = 0.0030120 k( 253) = ( 0.2868852 0.5000000 0.2868852), wk = 0.0030120 k( 254) = ( 0.2786885 0.5000000 0.2786885), wk = 0.0030120 k( 255) = ( 0.2704918 0.5000000 0.2704918), wk = 0.0030120 k( 256) = ( 0.2622951 0.5000000 0.2622951), wk = 0.0030120 k( 257) = ( 0.2540984 0.5000000 0.2540984), wk = 0.0030120 k( 258) = ( 0.2459016 0.5000000 0.2459016), wk = 0.0030120 k( 259) = ( 0.2377049 0.5000000 0.2377049), wk = 0.0030120 k( 260) = ( 0.2295082 0.5000000 0.2295082), wk = 0.0030120 k( 261) = ( 0.2213115 0.5000000 0.2213115), wk = 0.0030120 k( 262) = ( 0.2131147 0.5000000 0.2131147), wk = 0.0030120 k( 263) = ( 0.2049180 0.5000000 0.2049180), wk = 0.0030120 k( 264) = ( 0.1967213 0.5000000 0.1967213), wk = 0.0030120 k( 265) = ( 0.1885246 0.5000000 0.1885246), wk = 0.0030120 k( 266) = ( 0.1803279 0.5000000 0.1803279), wk = 0.0030120 k( 267) = ( 0.1721312 0.5000000 0.1721312), wk = 0.0030120 k( 268) = ( 0.1639344 0.5000000 0.1639344), wk = 0.0030120 k( 269) = ( 0.1557377 0.5000000 0.1557377), wk = 0.0030120 k( 270) = ( 0.1475410 0.5000000 0.1475410), wk = 0.0030120 k( 271) = ( 0.1393443 0.5000000 0.1393443), wk = 0.0030120 k( 272) = ( 0.1311475 0.5000000 0.1311475), wk = 0.0030120 k( 273) = ( 0.1229508 0.5000000 0.1229508), wk = 0.0030120 k( 274) = ( 0.1147541 0.5000000 0.1147541), wk = 0.0030120 k( 275) = ( 0.1065574 0.5000000 0.1065574), wk = 0.0030120 k( 276) = ( 0.0983607 0.5000000 0.0983607), wk = 0.0030120 k( 277) = ( 0.0901639 0.5000000 0.0901639), wk = 0.0030120 k( 278) = ( 0.0819672 0.5000000 0.0819672), wk = 0.0030120 k( 279) = ( 0.0737705 0.5000000 0.0737705), wk = 0.0030120 k( 280) = ( 0.0655738 0.5000000 0.0655738), wk = 0.0030120 k( 281) = ( 0.0573770 0.5000000 0.0573770), wk = 0.0030120 k( 282) = ( 0.0491803 0.5000000 0.0491803), wk = 0.0030120 k( 283) = ( 0.0409836 0.5000000 0.0409836), wk = 0.0030120 k( 284) = ( 0.0327869 0.5000000 0.0327869), wk = 0.0030120 k( 285) = ( 0.0245902 0.5000000 0.0245902), wk = 0.0030120 k( 286) = ( 0.0163934 0.5000000 0.0163934), wk = 0.0030120 k( 287) = ( 0.0081967 0.5000000 0.0081967), wk = 0.0030120 k( 288) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030120 k( 289) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0030120 k( 290) = ( 0.5000000 0.5000000 0.0116279), wk = 0.0030120 k( 291) = ( 0.5000000 0.5000000 0.0232558), wk = 0.0030120 k( 292) = ( 0.5000000 0.5000000 0.0348837), wk = 0.0030120 k( 293) = ( 0.5000000 0.5000000 0.0465116), wk = 0.0030120 k( 294) = ( 0.5000000 0.5000000 0.0581395), wk = 0.0030120 k( 295) = ( 0.5000000 0.5000000 0.0697674), wk = 0.0030120 k( 296) = ( 0.5000000 0.5000000 0.0813954), wk = 0.0030120 k( 297) = ( 0.5000000 0.5000000 0.0930233), wk = 0.0030120 k( 298) = ( 0.5000000 0.5000000 0.1046512), wk = 0.0030120 k( 299) = ( 0.5000000 0.5000000 0.1162791), wk = 0.0030120 k( 300) = ( 0.5000000 0.5000000 0.1279070), wk = 0.0030120 k( 301) = ( 0.5000000 0.5000000 0.1395349), wk = 0.0030120 k( 302) = ( 0.5000000 0.5000000 0.1511628), wk = 0.0030120 k( 303) = ( 0.5000000 0.5000000 0.1627907), wk = 0.0030120 k( 304) = ( 0.5000000 0.5000000 0.1744186), wk = 0.0030120 k( 305) = ( 0.5000000 0.5000000 0.1860465), wk = 0.0030120 k( 306) = ( 0.5000000 0.5000000 0.1976744), wk = 0.0030120 k( 307) = ( 0.5000000 0.5000000 0.2093023), wk = 0.0030120 k( 308) = ( 0.5000000 0.5000000 0.2209302), wk = 0.0030120 k( 309) = ( 0.5000000 0.5000000 0.2325581), wk = 0.0030120 k( 310) = ( 0.5000000 0.5000000 0.2441860), wk = 0.0030120 k( 311) = ( 0.5000000 0.5000000 0.2558140), wk = 0.0030120 k( 312) = ( 0.5000000 0.5000000 0.2674419), wk = 0.0030120 k( 313) = ( 0.5000000 0.5000000 0.2790698), wk = 0.0030120 k( 314) = ( 0.5000000 0.5000000 0.2906977), wk = 0.0030120 k( 315) = ( 0.5000000 0.5000000 0.3023256), wk = 0.0030120 k( 316) = ( 0.5000000 0.5000000 0.3139535), wk = 0.0030120 k( 317) = ( 0.5000000 0.5000000 0.3255814), wk = 0.0030120 k( 318) = ( 0.5000000 0.5000000 0.3372093), wk = 0.0030120 k( 319) = ( 0.5000000 0.5000000 0.3488372), wk = 0.0030120 k( 320) = ( 0.5000000 0.5000000 0.3604651), wk = 0.0030120 k( 321) = ( 0.5000000 0.5000000 0.3720930), wk = 0.0030120 k( 322) = ( 0.5000000 0.5000000 0.3837209), wk = 0.0030120 k( 323) = ( 0.5000000 0.5000000 0.3953488), wk = 0.0030120 k( 324) = ( 0.5000000 0.5000000 0.4069767), wk = 0.0030120 k( 325) = ( 0.5000000 0.5000000 0.4186047), wk = 0.0030120 k( 326) = ( 0.5000000 0.5000000 0.4302326), wk = 0.0030120 k( 327) = ( 0.5000000 0.5000000 0.4418605), wk = 0.0030120 k( 328) = ( 0.5000000 0.5000000 0.4534884), wk = 0.0030120 k( 329) = ( 0.5000000 0.5000000 0.4651163), wk = 0.0030120 k( 330) = ( 0.5000000 0.5000000 0.4767442), wk = 0.0030120 k( 331) = ( 0.5000000 0.5000000 0.4883721), wk = 0.0030120 k( 332) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0030120 Dense grid: 33059 G-vectors FFT dimensions: ( 40, 40, 40) Smooth grid: 13517 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 98, 56) NL pseudopotentials 0.11 Mb ( 49, 150) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 918) G-vector shells 0.00 Mb ( 252) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.33 Mb ( 98, 224) Each subspace H/S matrix 0.05 Mb ( 56, 56) Each matrix 0.26 Mb ( 150, 2, 56) The potential is recalculated from file : ./ZnNi3C.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 3.4 secs Computing kpt #: 4 total cpu time spent up to now is 3.7 secs Computing kpt #: 5 total cpu time spent up to now is 4.0 secs Computing kpt #: 6 total cpu time spent up to now is 4.2 secs Computing kpt #: 7 total cpu time spent up to now is 4.5 secs Computing kpt #: 8 total cpu time spent up to now is 4.8 secs Computing kpt #: 9 total cpu time spent up to now is 5.0 secs Computing kpt #: 10 total cpu time spent up to now is 5.3 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 5.8 secs Computing kpt #: 13 total cpu time spent up to now is 6.1 secs Computing kpt #: 14 total cpu time spent up to now is 6.4 secs Computing kpt #: 15 total cpu time spent up to now is 6.6 secs Computing kpt #: 16 total cpu time spent up to now is 6.9 secs Computing kpt #: 17 total cpu time spent up to now is 7.2 secs Computing kpt #: 18 total cpu time spent up to now is 7.5 secs Computing kpt #: 19 total cpu time spent up to now is 7.7 secs Computing kpt #: 20 total cpu time spent up to now is 8.0 secs Computing kpt #: 21 total cpu time spent up to now is 8.2 secs Computing kpt #: 22 total cpu time spent up to now is 8.5 secs Computing kpt #: 23 total cpu time spent up to now is 8.8 secs Computing kpt #: 24 total cpu time spent up to now is 9.0 secs Computing kpt #: 25 total cpu time spent up to now is 9.3 secs Computing kpt #: 26 total cpu time spent up to now is 9.6 secs Computing kpt #: 27 total cpu time spent up to now is 9.8 secs Computing kpt #: 28 total cpu time spent up to now is 10.1 secs Computing kpt #: 29 total cpu time spent up to now is 10.3 secs Computing kpt #: 30 total cpu time spent up to now is 10.6 secs Computing kpt #: 31 total cpu time spent up to now is 10.9 secs Computing kpt #: 32 total cpu time spent up to now is 11.1 secs Computing kpt #: 33 total cpu time spent up to now is 11.4 secs Computing kpt #: 34 total cpu time spent up to now is 11.6 secs Computing kpt #: 35 total cpu time spent up to now is 11.9 secs Computing kpt #: 36 total cpu time spent up to now is 12.1 secs Computing kpt #: 37 total cpu time spent up to now is 12.4 secs Computing kpt #: 38 total cpu time spent up to now is 12.7 secs Computing kpt #: 39 total cpu time spent up to now is 12.9 secs Computing kpt #: 40 total cpu time spent up to now is 13.2 secs Computing kpt #: 41 total cpu time spent up to now is 13.4 secs Computing kpt #: 42 total cpu time spent up to now is 13.7 secs Computing kpt #: 43 total cpu time spent up to now is 13.9 secs Computing kpt #: 44 total cpu time spent up to now is 14.2 secs Computing kpt #: 45 total cpu time spent up to now is 14.4 secs Computing kpt #: 46 total cpu time spent up to now is 14.7 secs Computing kpt #: 47 total cpu time spent up to now is 15.0 secs Computing kpt #: 48 total cpu time spent up to now is 15.2 secs Computing kpt #: 49 total cpu time spent up to now is 15.5 secs Computing kpt #: 50 total cpu time spent up to now is 15.8 secs Computing kpt #: 51 total cpu time spent up to now is 16.0 secs Computing kpt #: 52 total cpu time spent up to now is 16.3 secs Computing kpt #: 53 total cpu time spent up to now is 16.5 secs Computing kpt #: 54 total cpu time spent up to now is 16.8 secs Computing kpt #: 55 total cpu time spent up to now is 17.1 secs Computing kpt #: 56 total cpu time spent up to now is 17.3 secs Computing kpt #: 57 total cpu time spent up to now is 17.6 secs Computing kpt #: 58 total cpu time spent up to now is 17.9 secs Computing kpt #: 59 total cpu time spent up to now is 18.1 secs Computing kpt #: 60 total cpu time spent up to now is 18.4 secs Computing kpt #: 61 total cpu time spent up to now is 18.7 secs Computing kpt #: 62 total cpu time spent up to now is 18.9 secs Computing kpt #: 63 total cpu time spent up to now is 19.2 secs Computing kpt #: 64 total cpu time spent up to now is 19.5 secs Computing kpt #: 65 total cpu time spent up to now is 19.8 secs Computing kpt #: 66 total cpu time spent up to now is 20.1 secs Computing kpt #: 67 total cpu time spent up to now is 20.3 secs Computing kpt #: 68 total cpu time spent up to now is 20.6 secs Computing kpt #: 69 total cpu time spent up to now is 20.9 secs Computing kpt #: 70 total cpu time spent up to now is 21.2 secs Computing kpt #: 71 total cpu time spent up to now is 21.6 secs Computing kpt #: 72 total cpu time spent up to now is 21.9 secs Computing kpt #: 73 total cpu time spent up to now is 22.3 secs Computing kpt #: 74 total cpu time spent up to now is 22.7 secs Computing kpt #: 75 total cpu time spent up to now is 23.1 secs Computing kpt #: 76 total cpu time spent up to now is 23.4 secs Computing kpt #: 77 total cpu time spent up to now is 23.7 secs Computing kpt #: 78 total cpu time spent up to now is 24.0 secs Computing kpt #: 79 total cpu time spent up to now is 24.3 secs Computing kpt #: 80 total cpu time spent up to now is 24.6 secs Computing kpt #: 81 total cpu time spent up to now is 24.9 secs Computing kpt #: 82 total cpu time spent up to now is 25.1 secs Computing kpt #: 83 total cpu time spent up to now is 25.4 secs Computing kpt #: 84 total cpu time spent up to now is 25.7 secs Computing kpt #: 85 total cpu time spent up to now is 25.9 secs Computing kpt #: 86 total cpu time spent up to now is 26.2 secs Computing kpt #: 87 total cpu time spent up to now is 26.4 secs Computing kpt #: 88 total cpu time spent up to now is 26.7 secs Computing kpt #: 89 total cpu time spent up to now is 27.0 secs Computing kpt #: 90 total cpu time spent up to now is 27.2 secs Computing kpt #: 91 total cpu time spent up to now is 27.5 secs Computing kpt #: 92 total cpu time spent up to now is 27.8 secs Computing kpt #: 93 total cpu time spent up to now is 28.0 secs Computing kpt #: 94 total cpu time spent up to now is 28.3 secs Computing kpt #: 95 total cpu time spent up to now is 28.6 secs Computing kpt #: 96 total cpu time spent up to now is 28.9 secs Computing kpt #: 97 total cpu time spent up to now is 29.2 secs Computing kpt #: 98 total cpu time spent up to now is 29.4 secs Computing kpt #: 99 total cpu time spent up to now is 29.7 secs Computing kpt #: 100 total cpu time spent up to now is 30.0 secs Computing kpt #: 101 total cpu time spent up to now is 30.3 secs Computing kpt #: 102 total cpu time spent up to now is 30.7 secs Computing kpt #: 103 total cpu time spent up to now is 31.1 secs Computing kpt #: 104 total cpu time spent up to now is 31.5 secs Computing kpt #: 105 total cpu time spent up to now is 31.8 secs Computing kpt #: 106 total cpu time spent up to now is 32.1 secs Computing kpt #: 107 total cpu time spent up to now is 32.4 secs Computing kpt #: 108 total cpu time spent up to now is 32.7 secs Computing kpt #: 109 total cpu time spent up to now is 33.0 secs Computing kpt #: 110 total cpu time spent up to now is 33.3 secs Computing kpt #: 111 total cpu time spent up to now is 33.6 secs Computing kpt #: 112 total cpu time spent up to now is 33.9 secs Computing kpt #: 113 total cpu time spent up to now is 34.2 secs Computing kpt #: 114 total cpu time spent up to now is 34.4 secs Computing kpt #: 115 total cpu time spent up to now is 34.7 secs Computing kpt #: 116 total cpu time spent up to now is 35.0 secs Computing kpt #: 117 total cpu time spent up to now is 35.3 secs Computing kpt #: 118 total cpu time spent up to now is 35.5 secs Computing kpt #: 119 total cpu time spent up to now is 35.8 secs Computing kpt #: 120 total cpu time spent up to now is 36.1 secs Computing kpt #: 121 total cpu time spent up to now is 36.3 secs Computing kpt #: 122 total cpu time spent up to now is 36.6 secs Computing kpt #: 123 total cpu time spent up to now is 36.8 secs Computing kpt #: 124 total cpu time spent up to now is 37.1 secs Computing kpt #: 125 total cpu time spent up to now is 37.4 secs Computing kpt #: 126 total cpu time spent up to now is 37.6 secs Computing kpt #: 127 total cpu time spent up to now is 37.9 secs Computing kpt #: 128 total cpu time spent up to now is 38.2 secs Computing kpt #: 129 total cpu time spent up to now is 38.4 secs Computing kpt #: 130 total cpu time spent up to now is 38.7 secs Computing kpt #: 131 total cpu time spent up to now is 39.0 secs Computing kpt #: 132 total cpu time spent up to now is 39.2 secs Computing kpt #: 133 total cpu time spent up to now is 39.5 secs Computing kpt #: 134 total cpu time spent up to now is 39.8 secs Computing kpt #: 135 total cpu time spent up to now is 40.0 secs Computing kpt #: 136 total cpu time spent up to now is 40.3 secs Computing kpt #: 137 total cpu time spent up to now is 40.6 secs Computing kpt #: 138 total cpu time spent up to now is 40.8 secs Computing kpt #: 139 total cpu time spent up to now is 41.1 secs Computing kpt #: 140 total cpu time spent up to now is 41.4 secs Computing kpt #: 141 total cpu time spent up to now is 41.6 secs Computing kpt #: 142 total cpu time spent up to now is 41.9 secs Computing kpt #: 143 total cpu time spent up to now is 42.2 secs Computing kpt #: 144 total cpu time spent up to now is 42.4 secs Computing kpt #: 145 total cpu time spent up to now is 42.7 secs Computing kpt #: 146 total cpu time spent up to now is 43.0 secs Computing kpt #: 147 total cpu time spent up to now is 43.3 secs Computing kpt #: 148 total cpu time spent up to now is 43.5 secs Computing kpt #: 149 total cpu time spent up to now is 43.8 secs Computing kpt #: 150 total cpu time spent up to now is 44.1 secs Computing kpt #: 151 total cpu time spent up to now is 44.4 secs Computing kpt #: 152 total cpu time spent up to now is 44.6 secs Computing kpt #: 153 total cpu time spent up to now is 44.9 secs Computing kpt #: 154 total cpu time spent up to now is 45.2 secs Computing kpt #: 155 total cpu time spent up to now is 45.4 secs Computing kpt #: 156 total cpu time spent up to now is 45.7 secs Computing kpt #: 157 total cpu time spent up to now is 46.0 secs Computing kpt #: 158 total cpu time spent up to now is 46.2 secs Computing kpt #: 159 total cpu time spent up to now is 46.5 secs Computing kpt #: 160 total cpu time spent up to now is 46.8 secs Computing kpt #: 161 total cpu time spent up to now is 47.0 secs Computing kpt #: 162 total cpu time spent up to now is 47.3 secs Computing kpt #: 163 total cpu time spent up to now is 47.6 secs Computing kpt #: 164 total cpu time spent up to now is 47.8 secs Computing kpt #: 165 total cpu time spent up to now is 48.1 secs Computing kpt #: 166 total cpu time spent up to now is 48.3 secs Computing kpt #: 167 total cpu time spent up to now is 48.6 secs Computing kpt #: 168 total cpu time spent up to now is 48.8 secs Computing kpt #: 169 total cpu time spent up to now is 49.1 secs Computing kpt #: 170 total cpu time spent up to now is 49.4 secs Computing kpt #: 171 total cpu time spent up to now is 49.6 secs Computing kpt #: 172 total cpu time spent up to now is 49.9 secs Computing kpt #: 173 total cpu time spent up to now is 50.1 secs Computing kpt #: 174 total cpu time spent up to now is 50.4 secs Computing kpt #: 175 total cpu time spent up to now is 50.6 secs Computing kpt #: 176 total cpu time spent up to now is 50.9 secs Computing kpt #: 177 total cpu time spent up to now is 51.1 secs Computing kpt #: 178 total cpu time spent up to now is 51.4 secs Computing kpt #: 179 total cpu time spent up to now is 51.6 secs Computing kpt #: 180 total cpu time spent up to now is 51.9 secs Computing kpt #: 181 total cpu time spent up to now is 52.1 secs Computing kpt #: 182 total cpu time spent up to now is 52.4 secs Computing kpt #: 183 total cpu time spent up to now is 52.6 secs Computing kpt #: 184 total cpu time spent up to now is 52.9 secs Computing kpt #: 185 total cpu time spent up to now is 53.1 secs Computing kpt #: 186 total cpu time spent up to now is 53.4 secs Computing kpt #: 187 total cpu time spent up to now is 53.6 secs Computing kpt #: 188 total cpu time spent up to now is 53.9 secs Computing kpt #: 189 total cpu time spent up to now is 54.2 secs Computing kpt #: 190 total cpu time spent up to now is 54.4 secs Computing kpt #: 191 total cpu time spent up to now is 54.7 secs Computing kpt #: 192 total cpu time spent up to now is 54.9 secs Computing kpt #: 193 total cpu time spent up to now is 55.2 secs Computing kpt #: 194 total cpu time spent up to now is 55.5 secs Computing kpt #: 195 total cpu time spent up to now is 55.8 secs Computing kpt #: 196 total cpu time spent up to now is 56.0 secs Computing kpt #: 197 total cpu time spent up to now is 56.3 secs Computing kpt #: 198 total cpu time spent up to now is 56.6 secs Computing kpt #: 199 total cpu time spent up to now is 56.9 secs Computing kpt #: 200 total cpu time spent up to now is 57.1 secs Computing kpt #: 201 total cpu time spent up to now is 57.4 secs Computing kpt #: 202 total cpu time spent up to now is 57.7 secs Computing kpt #: 203 total cpu time spent up to now is 57.9 secs Computing kpt #: 204 total cpu time spent up to now is 58.2 secs Computing kpt #: 205 total cpu time spent up to now is 58.4 secs Computing kpt #: 206 total cpu time spent up to now is 58.7 secs Computing kpt #: 207 total cpu time spent up to now is 58.9 secs Computing kpt #: 208 total cpu time spent up to now is 59.2 secs Computing kpt #: 209 total cpu time spent up to now is 59.4 secs Computing kpt #: 210 total cpu time spent up to now is 59.7 secs Computing kpt #: 211 total cpu time spent up to now is 59.9 secs Computing kpt #: 212 total cpu time spent up to now is 60.2 secs Computing kpt #: 213 total cpu time spent up to now is 60.4 secs Computing kpt #: 214 total cpu time spent up to now is 60.7 secs Computing kpt #: 215 total cpu time spent up to now is 60.9 secs Computing kpt #: 216 total cpu time spent up to now is 61.1 secs Computing kpt #: 217 total cpu time spent up to now is 61.4 secs Computing kpt #: 218 total cpu time spent up to now is 61.6 secs Computing kpt #: 219 total cpu time spent up to now is 61.9 secs Computing kpt #: 220 total cpu time spent up to now is 62.1 secs Computing kpt #: 221 total cpu time spent up to now is 62.3 secs Computing kpt #: 222 total cpu time spent up to now is 62.5 secs Computing kpt #: 223 total cpu time spent up to now is 62.7 secs Computing kpt #: 224 total cpu time spent up to now is 63.0 secs Computing kpt #: 225 total cpu time spent up to now is 63.2 secs Computing kpt #: 226 total cpu time spent up to now is 63.4 secs Computing kpt #: 227 total cpu time spent up to now is 63.6 secs Computing kpt #: 228 total cpu time spent up to now is 63.9 secs Computing kpt #: 229 total cpu time spent up to now is 64.1 secs Computing kpt #: 230 total cpu time spent up to now is 64.3 secs Computing kpt #: 231 total cpu time spent up to now is 64.5 secs Computing kpt #: 232 total cpu time spent up to now is 64.8 secs Computing kpt #: 233 total cpu time spent up to now is 65.0 secs Computing kpt #: 234 total cpu time spent up to now is 65.2 secs Computing kpt #: 235 total cpu time spent up to now is 65.5 secs Computing kpt #: 236 total cpu time spent up to now is 65.7 secs Computing kpt #: 237 total cpu time spent up to now is 65.9 secs Computing kpt #: 238 total cpu time spent up to now is 66.2 secs Computing kpt #: 239 total cpu time spent up to now is 66.4 secs Computing kpt #: 240 total cpu time spent up to now is 66.7 secs Computing kpt #: 241 total cpu time spent up to now is 66.9 secs Computing kpt #: 242 total cpu time spent up to now is 67.1 secs Computing kpt #: 243 total cpu time spent up to now is 67.4 secs Computing kpt #: 244 total cpu time spent up to now is 67.6 secs Computing kpt #: 245 total cpu time spent up to now is 67.9 secs Computing kpt #: 246 total cpu time spent up to now is 68.1 secs Computing kpt #: 247 total cpu time spent up to now is 68.4 secs Computing kpt #: 248 total cpu time spent up to now is 68.6 secs Computing kpt #: 249 total cpu time spent up to now is 68.9 secs Computing kpt #: 250 total cpu time spent up to now is 69.1 secs Computing kpt #: 251 total cpu time spent up to now is 69.4 secs Computing kpt #: 252 total cpu time spent up to now is 69.7 secs Computing kpt #: 253 total cpu time spent up to now is 69.9 secs Computing kpt #: 254 total cpu time spent up to now is 70.2 secs Computing kpt #: 255 total cpu time spent up to now is 70.5 secs Computing kpt #: 256 total cpu time spent up to now is 70.8 secs Computing kpt #: 257 total cpu time spent up to now is 71.0 secs Computing kpt #: 258 total cpu time spent up to now is 71.3 secs Computing kpt #: 259 total cpu time spent up to now is 71.6 secs Computing kpt #: 260 total cpu time spent up to now is 71.9 secs Computing kpt #: 261 total cpu time spent up to now is 72.2 secs Computing kpt #: 262 total cpu time spent up to now is 72.5 secs Computing kpt #: 263 total cpu time spent up to now is 72.8 secs Computing kpt #: 264 total cpu time spent up to now is 73.0 secs Computing kpt #: 265 total cpu time spent up to now is 73.3 secs Computing kpt #: 266 total cpu time spent up to now is 73.6 secs Computing kpt #: 267 total cpu time spent up to now is 73.9 secs Computing kpt #: 268 total cpu time spent up to now is 74.1 secs Computing kpt #: 269 total cpu time spent up to now is 74.4 secs Computing kpt #: 270 total cpu time spent up to now is 74.7 secs Computing kpt #: 271 total cpu time spent up to now is 75.0 secs Computing kpt #: 272 total cpu time spent up to now is 75.2 secs Computing kpt #: 273 total cpu time spent up to now is 75.5 secs Computing kpt #: 274 total cpu time spent up to now is 75.7 secs Computing kpt #: 275 total cpu time spent up to now is 76.0 secs Computing kpt #: 276 total cpu time spent up to now is 76.3 secs Computing kpt #: 277 total cpu time spent up to now is 76.5 secs Computing kpt #: 278 total cpu time spent up to now is 76.8 secs Computing kpt #: 279 total cpu time spent up to now is 77.1 secs Computing kpt #: 280 total cpu time spent up to now is 77.3 secs Computing kpt #: 281 total cpu time spent up to now is 77.6 secs Computing kpt #: 282 total cpu time spent up to now is 77.8 secs Computing kpt #: 283 total cpu time spent up to now is 78.1 secs Computing kpt #: 284 total cpu time spent up to now is 78.3 secs Computing kpt #: 285 total cpu time spent up to now is 78.6 secs Computing kpt #: 286 total cpu time spent up to now is 78.9 secs Computing kpt #: 287 total cpu time spent up to now is 79.1 secs Computing kpt #: 288 total cpu time spent up to now is 79.4 secs Computing kpt #: 289 total cpu time spent up to now is 79.6 secs Computing kpt #: 290 total cpu time spent up to now is 79.9 secs Computing kpt #: 291 total cpu time spent up to now is 80.1 secs Computing kpt #: 292 total cpu time spent up to now is 80.4 secs Computing kpt #: 293 total cpu time spent up to now is 80.7 secs Computing kpt #: 294 total cpu time spent up to now is 81.0 secs Computing kpt #: 295 total cpu time spent up to now is 81.3 secs Computing kpt #: 296 total cpu time spent up to now is 81.6 secs Computing kpt #: 297 total cpu time spent up to now is 81.9 secs Computing kpt #: 298 total cpu time spent up to now is 82.2 secs Computing kpt #: 299 total cpu time spent up to now is 82.5 secs Computing kpt #: 300 total cpu time spent up to now is 82.8 secs Computing kpt #: 301 total cpu time spent up to now is 83.1 secs Computing kpt #: 302 total cpu time spent up to now is 83.4 secs Computing kpt #: 303 total cpu time spent up to now is 83.7 secs Computing kpt #: 304 total cpu time spent up to now is 83.9 secs Computing kpt #: 305 total cpu time spent up to now is 84.2 secs Computing kpt #: 306 total cpu time spent up to now is 84.5 secs Computing kpt #: 307 total cpu time spent up to now is 84.8 secs Computing kpt #: 308 total cpu time spent up to now is 85.0 secs Computing kpt #: 309 total cpu time spent up to now is 85.3 secs Computing kpt #: 310 total cpu time spent up to now is 85.5 secs Computing kpt #: 311 total cpu time spent up to now is 85.8 secs Computing kpt #: 312 total cpu time spent up to now is 86.0 secs Computing kpt #: 313 total cpu time spent up to now is 86.3 secs Computing kpt #: 314 total cpu time spent up to now is 86.5 secs Computing kpt #: 315 total cpu time spent up to now is 86.8 secs Computing kpt #: 316 total cpu time spent up to now is 87.0 secs Computing kpt #: 317 total cpu time spent up to now is 87.2 secs Computing kpt #: 318 total cpu time spent up to now is 87.5 secs Computing kpt #: 319 total cpu time spent up to now is 87.7 secs Computing kpt #: 320 total cpu time spent up to now is 88.0 secs Computing kpt #: 321 total cpu time spent up to now is 88.2 secs Computing kpt #: 322 total cpu time spent up to now is 88.4 secs Computing kpt #: 323 total cpu time spent up to now is 88.7 secs Computing kpt #: 324 total cpu time spent up to now is 88.9 secs Computing kpt #: 325 total cpu time spent up to now is 89.1 secs Computing kpt #: 326 total cpu time spent up to now is 89.4 secs Computing kpt #: 327 total cpu time spent up to now is 89.6 secs Computing kpt #: 328 total cpu time spent up to now is 89.8 secs Computing kpt #: 329 total cpu time spent up to now is 90.1 secs Computing kpt #: 330 total cpu time spent up to now is 90.3 secs Computing kpt #: 331 total cpu time spent up to now is 90.5 secs Computing kpt #: 332 total cpu time spent up to now is 90.7 secs ethr = 2.17E-08, avg # of iterations = 13.3 total cpu time spent up to now is 90.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1743 PWs) bands (ev): -0.1886 -0.1886 6.6029 6.6029 6.9720 6.9720 6.9720 6.9720 7.3202 7.3202 7.3202 7.3202 7.4249 7.4249 10.4701 10.4701 10.4701 10.4701 10.5266 10.5266 10.6877 10.6877 10.6877 10.6877 10.7227 10.7227 11.5094 11.5094 11.5094 11.5094 12.5661 12.5661 12.5661 12.5661 13.0216 13.0216 13.0216 13.0216 13.0750 13.0750 13.5823 13.5823 13.6707 13.6707 13.6707 13.6707 13.9043 13.9043 17.6658 17.6658 19.0629 19.0629 19.2608 19.2608 19.2608 19.2608 k = 0.0000 0.0116-0.0000 ( 1743 PWs) bands (ev): -0.1875 -0.1875 6.6035 6.6035 6.9722 6.9722 6.9722 6.9722 7.3202 7.3202 7.3203 7.3203 7.4249 7.4249 10.4627 10.4627 10.4657 10.4657 10.5202 10.5202 10.6890 10.6890 10.6933 10.6933 10.7252 10.7252 11.5095 11.5095 11.5100 11.5100 12.5661 12.5661 12.5687 12.5687 13.0214 13.0214 13.0215 13.0215 13.0748 13.0748 13.5830 13.5830 13.6710 13.6710 13.6716 13.6716 13.9038 13.9038 17.6656 17.6656 19.0618 19.0618 19.2565 19.2565 19.2621 19.2621 k = 0.0000 0.0233-0.0000 ( 1743 PWs) bands (ev): -0.1845 -0.1845 6.6054 6.6054 6.9727 6.9727 6.9728 6.9728 7.3203 7.3203 7.3205 7.3205 7.4249 7.4249 10.4412 10.4412 10.4533 10.4533 10.5028 10.5028 10.6919 10.6919 10.7081 10.7081 10.7332 10.7332 11.5098 11.5098 11.5120 11.5120 12.5661 12.5661 12.5765 12.5765 13.0206 13.0206 13.0211 13.0211 13.0743 13.0743 13.5850 13.5850 13.6721 13.6721 13.6743 13.6743 13.9021 13.9021 17.6653 17.6653 19.0578 19.0578 19.2447 19.2447 19.2657 19.2657 k = 0.0000 0.0349-0.0000 ( 1743 PWs) bands (ev): -0.1794 -0.1794 6.6085 6.6085 6.9734 6.9734 6.9737 6.9737 7.3205 7.3205 7.3210 7.3210 7.4249 7.4249 10.4068 10.4068 10.4347 10.4347 10.4774 10.4774 10.6945 10.6945 10.7287 10.7287 10.7467 10.7467 11.5098 11.5098 11.5152 11.5152 12.5660 12.5660 12.5887 12.5887 13.0194 13.0194 13.0204 13.0204 13.0733 13.0733 13.5883 13.5883 13.6740 13.6740 13.6790 13.6790 13.8994 13.8994 17.6647 17.6647 19.0490 19.0490 19.2292 19.2292 19.2718 19.2718 k = 0.0000 0.0465-0.0000 ( 1731 PWs) bands (ev): -0.1723 -0.1723 6.6127 6.6127 6.9745 6.9745 6.9752 6.9752 7.3209 7.3209 7.3217 7.3217 7.4249 7.4249 10.3602 10.3602 10.4118 10.4118 10.4475 10.4475 10.6964 10.6964 10.7523 10.7523 10.7642 10.7642 11.5092 11.5092 11.5200 11.5200 12.5660 12.5660 12.6050 12.6050 13.0178 13.0178 13.0195 13.0195 13.0720 13.0720 13.5927 13.5927 13.6770 13.6770 13.6857 13.6857 13.8958 13.8958 17.6641 17.6641 19.0324 19.0324 19.2150 19.2150 19.2802 19.2802 k = 0.0000 0.0581-0.0000 ( 1723 PWs) bands (ev): -0.1632 -0.1632 6.6178 6.6178 6.9758 6.9758 6.9771 6.9771 7.3214 7.3214 7.3225 7.3225 7.4250 7.4250 10.3022 10.3022 10.3860 10.3860 10.4157 10.4157 10.6977 10.6977 10.7774 10.7774 10.7843 10.7843 11.5074 11.5074 11.5259 11.5259 12.5659 12.5659 12.6237 12.6237 13.0157 13.0157 13.0183 13.0183 13.0702 13.0702 13.5979 13.5979 13.6813 13.6813 13.6942 13.6942 13.8909 13.8909 17.6633 17.6633 19.0058 19.0058 19.2069 19.2069 19.2909 19.2909 k = 0.0000 0.0698-0.0000 ( 1723 PWs) bands (ev): -0.1521 -0.1521 6.6238 6.6238 6.9774 6.9774 6.9795 6.9795 7.3220 7.3220 7.3235 7.3235 7.4250 7.4250 10.2341 10.2341 10.3583 10.3583 10.3830 10.3830 10.6988 10.6988 10.8026 10.8026 10.8054 10.8054 11.5039 11.5039 11.5330 11.5330 12.5657 12.5657 12.6439 12.6439 13.0131 13.0131 13.0167 13.0167 13.0679 13.0679 13.6035 13.6035 13.6871 13.6871 13.7047 13.7047 13.8849 13.8849 17.6625 17.6625 18.9696 18.9696 19.2063 19.2063 19.3038 19.3038 k = 0.0000 0.0814-0.0000 ( 1723 PWs) bands (ev): -0.1390 -0.1390 6.6303 6.6303 6.9793 6.9793 6.9826 6.9826 7.3226 7.3226 7.3246 7.3246 7.4250 7.4250 10.1578 10.1578 10.3294 10.3294 10.3501 10.3501 10.6997 10.6997 10.8269 10.8269 10.8277 10.8277 11.4985 11.4985 11.5414 11.5414 12.5656 12.5656 12.6646 12.6646 13.0101 13.0101 13.0148 13.0148 13.0652 13.0652 13.6092 13.6092 13.6951 13.6951 13.7172 13.7172 13.8778 13.8778 17.6618 17.6618 18.9267 18.9267 19.2124 19.2124 19.3187 19.3187 k = 0.0000 0.0930-0.0000 ( 1715 PWs) bands (ev): -0.1240 -0.1240 6.6371 6.6371 6.9815 6.9815 6.9864 6.9864 7.3236 7.3236 7.3259 7.3259 7.4250 7.4250 10.0747 10.0747 10.2997 10.2997 10.3171 10.3171 10.7006 10.7006 10.8483 10.8483 10.8522 10.8522 11.4908 11.4908 11.5511 11.5511 12.5653 12.5653 12.6846 12.6846 13.0067 13.0067 13.0127 13.0127 13.0620 13.0620 13.6147 13.6147 13.7057 13.7057 13.7319 13.7319 13.8696 13.8696 17.6613 17.6613 18.8799 18.8799 19.2237 19.2237 19.3357 19.3357 k = 0.0000 0.1047-0.0000 ( 1715 PWs) bands (ev): -0.1072 -0.1072 6.6439 6.6439 6.9839 6.9839 6.9910 6.9910 7.3247 7.3247 7.3273 7.3273 7.4251 7.4251 9.9866 9.9866 10.2696 10.2696 10.2842 10.2842 10.7014 10.7014 10.8691 10.8691 10.8759 10.8759 11.4807 11.4807 11.5620 11.5620 12.5651 12.5651 12.7029 12.7029 13.0029 13.0029 13.0101 13.0101 13.0582 13.0582 13.6194 13.6194 13.7189 13.7189 13.7486 13.7486 13.8603 13.8603 17.6612 17.6612 18.8318 18.8318 19.2388 19.2388 19.3545 19.3545 k = 0.0000 0.1163-0.0000 ( 1711 PWs) bands (ev): -0.0885 -0.0885 6.6503 6.6503 6.9865 6.9865 6.9966 6.9966 7.3262 7.3262 7.3288 7.3288 7.4251 7.4251 9.8947 9.8947 10.2393 10.2393 10.2516 10.2516 10.7023 10.7023 10.8892 10.8892 10.8986 10.8986 11.4683 11.4683 11.5741 11.5741 12.5648 12.5648 12.7188 12.7188 12.9988 12.9988 13.0072 13.0072 13.0540 13.0540 13.6233 13.6233 13.7351 13.7351 13.7675 13.7675 13.8500 13.8500 17.6616 17.6616 18.7837 18.7837 19.2570 19.2570 19.3750 19.3750 k = 0.0000 0.1279-0.0000 ( 1699 PWs) bands (ev): -0.0680 -0.0680 6.6560 6.6560 6.9894 6.9894 7.0034 7.0034 7.3281 7.3281 7.3306 7.3306 7.4254 7.4254 9.8004 9.8004 10.2090 10.2090 10.2192 10.2192 10.7034 10.7034 10.9086 10.9086 10.9203 10.9203 11.4531 11.4531 11.5877 11.5877 12.5649 12.5649 12.7315 12.7315 12.9943 12.9943 13.0039 13.0039 13.0490 13.0490 13.6264 13.6264 13.7541 13.7541 13.7885 13.7885 13.8391 13.8391 17.6626 17.6626 18.7369 18.7369 19.2775 19.2775 19.3970 19.3970 k = 0.0000 0.1395-0.0000 ( 1699 PWs) bands (ev): -0.0459 -0.0459 6.6603 6.6603 6.9924 6.9924 7.0113 7.0113 7.3304 7.3304 7.3323 7.3323 7.4255 7.4255 9.7046 9.7046 10.1790 10.1790 10.1873 10.1873 10.7044 10.7044 10.9267 10.9267 10.9407 10.9407 11.4350 11.4350 11.6022 11.6022 12.5645 12.5645 12.7408 12.7408 12.9896 12.9896 13.0003 13.0003 13.0437 13.0437 13.6289 13.6289 13.7757 13.7757 13.8112 13.8112 13.8270 13.8270 17.6642 17.6642 18.6921 18.6921 19.3000 19.3000 19.4203 19.4203 k = 0.0000 0.1512-0.0000 ( 1699 PWs) bands (ev): -0.0220 -0.0220 6.6629 6.6629 6.9955 6.9955 7.0204 7.0204 7.3334 7.3334 7.3341 7.3341 7.4257 7.4257 9.6085 9.6085 10.1493 10.1493 10.1560 10.1560 10.7053 10.7053 10.9437 10.9437 10.9598 10.9598 11.4141 11.4141 11.6180 11.6180 12.5641 12.5641 12.7464 12.7464 12.9845 12.9845 12.9964 12.9964 13.0379 13.0379 13.6309 13.6309 13.7998 13.7998 13.8128 13.8128 13.8371 13.8371 17.6666 17.6666 18.6495 18.6495 19.3241 19.3241 19.4448 19.4448 k = 0.0000 0.1628-0.0000 ( 1699 PWs) bands (ev): 0.0034 0.0034 6.6633 6.6633 6.9988 6.9988 7.0308 7.0308 7.3360 7.3360 7.3371 7.3371 7.4259 7.4259 9.5131 9.5131 10.1201 10.1201 10.1252 10.1252 10.7063 10.7063 10.9596 10.9596 10.9777 10.9777 11.3903 11.3903 11.6348 11.6348 12.5636 12.5636 12.7483 12.7483 12.9790 12.9790 12.9922 12.9922 13.0316 13.0316 13.6324 13.6324 13.7986 13.7986 13.8261 13.8261 13.8639 13.8639 17.6700 17.6700 18.6096 18.6096 19.3495 19.3495 19.4703 19.4703 k = 0.0000 0.1744-0.0000 ( 1699 PWs) bands (ev): 0.0304 0.0304 6.6612 6.6612 7.0022 7.0022 7.0422 7.0422 7.3378 7.3378 7.3419 7.3419 7.4262 7.4262 9.4192 9.4192 10.0915 10.0915 10.0951 10.0951 10.7074 10.7074 10.9742 10.9742 10.9942 10.9942 11.3635 11.3635 11.6528 11.6528 12.5631 12.5631 12.7465 12.7465 12.9731 12.9731 12.9877 12.9877 13.0248 13.0248 13.6336 13.6336 13.7833 13.7833 13.8545 13.8545 13.8927 13.8927 17.6743 17.6743 18.5725 18.5725 19.3759 19.3759 19.4965 19.4965 k = 0.0000 0.1860-0.0000 ( 1703 PWs) bands (ev): 0.0587 0.0587 6.6561 6.6561 7.0058 7.0058 7.0544 7.0544 7.3397 7.3397 7.3479 7.3479 7.4266 7.4266 9.3278 9.3278 10.0634 10.0634 10.0657 10.0657 10.7084 10.7084 10.9876 10.9876 11.0093 11.0093 11.3334 11.3334 11.6718 11.6718 12.5625 12.5625 12.7413 12.7413 12.9664 12.9664 12.9829 12.9829 13.0177 13.0177 13.6346 13.6346 13.7670 13.7670 13.8847 13.8847 13.9232 13.9232 17.6796 17.6796 18.5380 18.5380 19.4030 19.4030 19.5232 19.5232 k = 0.0000 0.1977-0.0000 ( 1703 PWs) bands (ev): 0.0885 0.0885 6.6480 6.6480 7.0094 7.0094 7.0672 7.0672 7.3417 7.3417 7.3555 7.3555 7.4271 7.4271 9.2398 9.2398 10.0360 10.0360 10.0371 10.0371 10.7094 10.7094 11.0000 11.0000 11.0234 11.0234 11.3003 11.3003 11.6919 11.6919 12.5617 12.5617 12.7330 12.7330 12.9591 12.9591 12.9777 12.9777 13.0102 13.0102 13.6354 13.6354 13.7498 13.7498 13.9166 13.9166 13.9555 13.9555 17.6859 17.6859 18.5062 18.5062 19.4306 19.4306 19.5502 19.5502 k = 0.0000 0.2093-0.0000 ( 1699 PWs) bands (ev): 0.1195 0.1195 6.6364 6.6364 7.0131 7.0131 7.0800 7.0800 7.3435 7.3435 7.3649 7.3649 7.4277 7.4277 9.1560 9.1560 10.0094 10.0094 10.0095 10.0095 10.7106 10.7106 11.0110 11.0110 11.0358 11.0358 11.2639 11.2639 11.7130 11.7130 12.5611 12.5611 12.7223 12.7223 12.9514 12.9514 12.9725 12.9725 13.0026 13.0026 13.6360 13.6360 13.7317 13.7317 13.9500 13.9500 13.9891 13.9891 17.6932 17.6932 18.4770 18.4770 19.4584 19.4584 19.5774 19.5774 k = 0.0000 0.2209-0.0000 ( 1699 PWs) bands (ev): 0.1515 0.1515 6.6212 6.6212 7.0168 7.0168 7.0922 7.0922 7.3453 7.3453 7.3762 7.3762 7.4283 7.4283 9.0772 9.0772 9.9825 9.9825 9.9838 9.9838 10.7117 10.7117 11.0207 11.0207 11.0468 11.0468 11.2242 11.2242 11.7351 11.7351 12.5603 12.5603 12.7090 12.7090 12.9429 12.9429 12.9670 12.9670 12.9949 12.9949 13.6365 13.6365 13.7127 13.7127 13.9847 13.9847 14.0240 14.0240 17.7014 17.7014 18.4503 18.4503 19.4863 19.4863 19.6044 19.6044 k = 0.0000 0.2326-0.0000 ( 1699 PWs) bands (ev): 0.1846 0.1846 6.6023 6.6023 7.0206 7.0206 7.1036 7.1036 7.3471 7.3471 7.3897 7.3897 7.4291 7.4291 9.0042 9.0042 9.9566 9.9566 9.9589 9.9589 10.7129 10.7129 11.0294 11.0294 11.0562 11.0562 11.1814 11.1814 11.7581 11.7581 12.5595 12.5595 12.6939 12.6939 12.9340 12.9340 12.9612 12.9612 12.9871 12.9871 13.6369 13.6369 13.6929 13.6929 14.0204 14.0204 14.0601 14.0601 17.7105 17.7105 18.4257 18.4257 19.5139 19.5139 19.6311 19.6311 k = 0.0000 0.2442-0.0000 ( 1691 PWs) bands (ev): 0.2186 0.2186 6.5797 6.5797 7.0244 7.0244 7.1138 7.1138 7.3488 7.3488 7.4053 7.4053 7.4300 7.4300 8.9378 8.9378 9.9316 9.9316 9.9350 9.9350 10.7141 10.7141 11.0370 11.0370 11.0630 11.0630 11.1368 11.1368 11.7819 11.7819 12.5587 12.5587 12.6774 12.6774 12.9247 12.9247 12.9554 12.9554 12.9793 12.9793 13.6374 13.6374 13.6727 13.6727 14.0570 14.0570 14.0970 14.0970 17.7204 17.7204 18.4034 18.4034 19.5411 19.5411 19.6573 19.6573 k = 0.0000 0.2558-0.0000 ( 1695 PWs) bands (ev): 0.2532 0.2532 6.5533 6.5533 7.0281 7.0281 7.1225 7.1225 7.3503 7.3503 7.4228 7.4228 7.4309 7.4309 8.8787 8.8787 9.9076 9.9076 9.9120 9.9120 10.7152 10.7152 11.0434 11.0434 11.0593 11.0593 11.0975 11.0975 11.8064 11.8064 12.5576 12.5576 12.6599 12.6599 12.9150 12.9150 12.9492 12.9492 12.9716 12.9716 13.6377 13.6377 13.6514 13.6514 14.0941 14.0941 14.1344 14.1344 17.7310 17.7310 18.3830 18.3830 19.5676 19.5676 19.6827 19.6827 k = 0.0000 0.2674-0.0000 ( 1695 PWs) bands (ev): 0.2884 0.2884 6.5233 6.5233 7.0317 7.0317 7.1297 7.1297 7.3518 7.3518 7.4320 7.4320 7.4420 7.4420 8.8275 8.8275 9.8847 9.8847 9.8900 9.8900 10.7164 10.7164 11.0205 11.0205 11.0490 11.0490 11.0888 11.0888 11.8317 11.8317 12.5566 12.5566 12.6414 12.6414 12.9052 12.9052 12.9428 12.9428 12.9641 12.9641 13.6295 13.6295 13.6379 13.6379 14.1318 14.1318 14.1724 14.1724 17.7421 17.7421 18.3643 18.3643 19.5932 19.5932 19.7073 19.7073 k = 0.0000 0.2791-0.0000 ( 1695 PWs) bands (ev): 0.3241 0.3241 6.4897 6.4897 7.0353 7.0353 7.1354 7.1354 7.3532 7.3532 7.4332 7.4332 7.4622 7.4622 8.7849 8.7849 9.8628 9.8628 9.8690 9.8690 10.7176 10.7176 10.9654 10.9654 11.0537 11.0537 11.0919 11.0919 11.8576 11.8576 12.5554 12.5554 12.6223 12.6223 12.8954 12.8954 12.9363 12.9363 12.9569 12.9569 13.6071 13.6071 13.6381 13.6381 14.1696 14.1696 14.2107 14.2107 17.7535 17.7535 18.3473 18.3473 19.6179 19.6179 19.7307 19.7307 k = 0.0000 0.2907-0.0000 ( 1695 PWs) bands (ev): 0.3599 0.3599 6.4530 6.4530 7.0388 7.0388 7.1398 7.1398 7.3544 7.3544 7.4345 7.4345 7.4829 7.4829 8.7511 8.7511 9.8419 9.8419 9.8491 9.8491 10.7188 10.7188 10.9050 10.9050 11.0576 11.0576 11.0959 11.0959 11.8841 11.8841 12.5541 12.5541 12.6032 12.6032 12.8857 12.8857 12.9296 12.9296 12.9501 12.9501 13.5842 13.5842 13.6383 13.6383 14.2074 14.2074 14.2489 14.2489 17.7653 17.7653 18.3317 18.3317 19.6414 19.6414 19.7530 19.7530 k = 0.0000 0.3023-0.0000 ( 1695 PWs) bands (ev): 0.3958 0.3958 6.4134 6.4134 7.0421 7.0421 7.1430 7.1430 7.3555 7.3555 7.4359 7.4359 7.5035 7.5035 8.7268 8.7268 9.8222 9.8222 9.8302 9.8302 10.7200 10.7200 10.8407 10.8407 11.0607 11.0607 11.0996 11.0996 11.9110 11.9110 12.5527 12.5527 12.5841 12.5841 12.8761 12.8761 12.9227 12.9227 12.9436 12.9436 13.5610 13.5610 13.6384 13.6384 14.2449 14.2449 14.2869 14.2869 17.7772 17.7772 18.3175 18.3175 19.6635 19.6635 19.7739 19.7739 k = 0.0000 0.3140-0.0000 ( 1691 PWs) bands (ev): 0.4315 0.4315 6.3713 6.3713 7.0454 7.0454 7.1454 7.1454 7.3565 7.3565 7.4374 7.4374 7.5234 7.5234 8.7119 8.7119 9.8036 9.8036 9.8124 9.8124 10.7211 10.7211 10.7731 10.7731 11.0631 11.0631 11.1028 11.1028 11.9384 11.9384 12.5512 12.5512 12.5655 12.5655 12.8669 12.8669 12.9160 12.9160 12.9376 12.9376 13.5375 13.5375 13.6385 13.6385 14.2820 14.2820 14.3245 14.3245 17.7891 17.7891 18.3045 18.3045 19.6843 19.6843 19.7934 19.7934 k = 0.0000 0.3256-0.0000 ( 1695 PWs) bands (ev): 0.4668 0.4668 6.3274 6.3274 7.0485 7.0485 7.1469 7.1469 7.3574 7.3574 7.4389 7.4389 7.5422 7.5422 8.7066 8.7066 9.7860 9.7860 9.7956 9.7956 10.7024 10.7024 10.7222 10.7222 11.0648 11.0648 11.1053 11.1053 11.9660 11.9660 12.5474 12.5474 12.5496 12.5496 12.8580 12.8580 12.9091 12.9091 12.9318 12.9318 13.5140 13.5140 13.6383 13.6383 14.3183 14.3183 14.3612 14.3612 17.8010 17.8010 18.2927 18.2927 19.7035 19.7035 19.8113 19.8113 k = 0.0000 0.3372-0.0000 ( 1703 PWs) bands (ev): 0.5015 0.5015 6.2822 6.2822 7.0515 7.0515 7.1479 7.1479 7.3581 7.3581 7.4404 7.4404 7.5592 7.5592 8.7106 8.7106 9.7696 9.7696 9.7799 9.7799 10.6289 10.6289 10.7233 10.7233 11.0661 11.0661 11.1073 11.1073 11.9935 11.9935 12.5296 12.5296 12.5477 12.5477 12.8492 12.8492 12.9022 12.9022 12.9265 12.9265 13.4903 13.4903 13.6384 13.6384 14.3536 14.3536 14.3970 14.3970 17.8126 17.8126 18.2818 18.2818 19.7212 19.7212 19.8277 19.8277 k = 0.0000 0.3488-0.0000 ( 1695 PWs) bands (ev): 0.5354 0.5354 6.2363 6.2363 7.0543 7.0543 7.1485 7.1485 7.3588 7.3588 7.4420 7.4420 7.5746 7.5746 8.7239 8.7239 9.7544 9.7544 9.7654 9.7654 10.5528 10.5528 10.7244 10.7244 11.0669 11.0669 11.1089 11.1089 12.0211 12.0211 12.5133 12.5133 12.5458 12.5458 12.8413 12.8413 12.8960 12.8960 12.9216 12.9216 13.4668 13.4668 13.6385 13.6385 14.3878 14.3878 14.4317 14.4317 17.8239 17.8239 18.2720 18.2720 19.7373 19.7373 19.8425 19.8425 k = 0.0000 0.3605-0.0000 ( 1691 PWs) bands (ev): 0.5682 0.5682 6.1904 6.1904 7.0570 7.0570 7.1487 7.1487 7.3594 7.3594 7.4436 7.4436 7.5880 7.5880 8.7459 8.7459 9.7403 9.7403 9.7519 9.7519 10.4745 10.4745 10.7254 10.7254 11.0674 11.0674 11.1100 11.1100 12.0486 12.0486 12.4979 12.4979 12.5436 12.5436 12.8337 12.8337 12.8896 12.8896 12.9170 12.9170 13.4436 13.4436 13.6386 13.6386 14.4206 14.4206 14.4650 14.4650 17.8348 17.8348 18.2631 18.2631 19.7518 19.7518 19.8558 19.8558 k = 0.0000 0.3721-0.0000 ( 1691 PWs) bands (ev): 0.5996 0.5996 6.1451 6.1451 7.0594 7.0594 7.1487 7.1487 7.3599 7.3599 7.4451 7.4451 7.5995 7.5995 8.7760 8.7760 9.7273 9.7273 9.7395 9.7395 10.3942 10.3942 10.7263 10.7263 11.0676 11.0676 11.1108 11.1108 12.0756 12.0756 12.4837 12.4837 12.5412 12.5412 12.8266 12.8266 12.8836 12.8836 12.9128 12.9128 13.4209 13.4209 13.6386 13.6386 14.4517 14.4517 14.4965 14.4965 17.8451 17.8451 18.2550 18.2550 19.7647 19.7647 19.8675 19.8675 k = 0.0000 0.3837-0.0000 ( 1691 PWs) bands (ev): 0.6294 0.6294 6.1012 6.1012 7.0617 7.0617 7.1485 7.1485 7.3603 7.3603 7.4466 7.4466 7.6092 7.6092 8.8137 8.8137 9.7154 9.7154 9.7282 9.7282 10.3123 10.3123 10.7272 10.7272 11.0675 11.0675 11.1112 11.1112 12.1019 12.1019 12.4705 12.4705 12.5385 12.5385 12.8200 12.8200 12.8779 12.8779 12.9090 12.9090 13.3988 13.3988 13.6387 13.6387 14.4809 14.4809 14.5262 14.5262 17.8549 17.8549 18.2476 18.2476 19.7760 19.7760 19.8777 19.8777 k = 0.0000 0.3953-0.0000 ( 1690 PWs) bands (ev): 0.6574 0.6574 6.0593 6.0593 7.0637 7.0637 7.1482 7.1482 7.3607 7.3607 7.4480 7.4480 7.6173 7.6173 8.8582 8.8582 9.7046 9.7046 9.7180 9.7180 10.2290 10.2290 10.7280 10.7280 11.0672 11.0672 11.1115 11.1115 12.1274 12.1274 12.4587 12.4587 12.5357 12.5357 12.8140 12.8140 12.8726 12.8726 12.9056 12.9056 13.3778 13.3778 13.6387 13.6387 14.5080 14.5080 14.5538 14.5538 17.8640 17.8640 18.2410 18.2410 19.7859 19.7859 19.8865 19.8865 k = 0.0000 0.4070-0.0000 ( 1690 PWs) bands (ev): 0.6832 0.6832 6.0200 6.0200 7.0656 7.0656 7.1479 7.1479 7.3610 7.3610 7.4493 7.4493 7.6239 7.6239 8.9089 8.9089 9.6950 9.6950 9.7089 9.7089 10.1446 10.1446 10.7288 10.7288 11.0668 11.0668 11.1115 11.1115 12.1517 12.1517 12.4480 12.4480 12.5326 12.5326 12.8086 12.8086 12.8677 12.8677 12.9025 12.9025 13.3579 13.3579 13.6388 13.6388 14.5329 14.5329 14.5791 14.5791 17.8723 17.8723 18.2351 18.2351 19.7944 19.7944 19.8940 19.8940 k = 0.0000 0.4186-0.0000 ( 1698 PWs) bands (ev): 0.7067 0.7067 5.9839 5.9839 7.0672 7.0672 7.1475 7.1475 7.3612 7.3612 7.4504 7.4504 7.6292 7.6292 8.9650 8.9650 9.6865 9.6865 9.7008 9.7008 10.0596 10.0596 10.7289 10.7289 11.0663 11.0663 11.1114 11.1114 12.1747 12.1747 12.4384 12.4384 12.5293 12.5293 12.8037 12.8037 12.8632 12.8632 12.8996 12.8996 13.3394 13.3394 13.6388 13.6388 14.5553 14.5553 14.6019 14.6019 17.8798 17.8798 18.2299 18.2299 19.8016 19.8016 19.9003 19.9003 k = 0.0000 0.4302-0.0000 ( 1698 PWs) bands (ev): 0.7276 0.7276 5.9515 5.9515 7.0686 7.0686 7.1471 7.1471 7.3614 7.3614 7.4515 7.4515 7.6335 7.6335 9.0260 9.0260 9.6790 9.6790 9.6939 9.6939 9.9742 9.9742 10.7295 10.7295 11.0658 11.0658 11.1112 11.1112 12.1959 12.1959 12.4302 12.4302 12.5260 12.5260 12.7995 12.7995 12.8593 12.8593 12.8973 12.8973 13.3226 13.3226 13.6388 13.6388 14.5751 14.5751 14.6220 14.6220 17.8865 17.8865 18.2254 18.2254 19.8076 19.8076 19.9054 19.9054 k = 0.0000 0.4419-0.0000 ( 1686 PWs) bands (ev): 0.7457 0.7457 5.9232 5.9232 7.0699 7.0699 7.1469 7.1469 7.3617 7.3617 7.4525 7.4525 7.6368 7.6368 9.0914 9.0914 9.6727 9.6727 9.6881 9.6881 9.8888 9.8888 10.7300 10.7300 11.0657 11.0657 11.1114 11.1114 12.2150 12.2150 12.4233 12.4233 12.5227 12.5227 12.7959 12.7959 12.8559 12.8559 12.8954 12.8954 13.3079 13.3079 13.6390 13.6390 14.5923 14.5923 14.6394 14.6394 17.8922 17.8922 18.2216 18.2216 19.8125 19.8125 19.9096 19.9096 k = 0.0000 0.4535-0.0000 ( 1678 PWs) bands (ev): 0.7608 0.7608 5.8995 5.8995 7.0709 7.0709 7.1467 7.1467 7.3619 7.3619 7.4533 7.4533 7.6394 7.6394 9.1606 9.1606 9.6671 9.6671 9.6833 9.6833 9.8040 9.8040 10.7304 10.7304 11.0654 11.0654 11.1113 11.1113 12.2315 12.2315 12.4176 12.4176 12.5196 12.5196 12.7930 12.7930 12.8531 12.8531 12.8939 12.8939 13.2956 13.2956 13.6390 13.6390 14.6065 14.6065 14.6539 14.6539 17.8970 17.8970 18.2185 18.2185 19.8164 19.8164 19.9129 19.9129 k = 0.0000 0.4651-0.0000 ( 1678 PWs) bands (ev): 0.7727 0.7727 5.8807 5.8807 7.0717 7.0717 7.1464 7.1464 7.3619 7.3619 7.4539 7.4539 7.6413 7.6413 9.2329 9.2329 9.6611 9.6611 9.6796 9.6796 9.7212 9.7212 10.7308 10.7308 11.0650 11.0650 11.1111 11.1111 12.2450 12.2450 12.4132 12.4132 12.5168 12.5168 12.7907 12.7907 12.8508 12.8508 12.8927 12.8927 13.2856 13.2856 13.6390 13.6390 14.6176 14.6176 14.6652 14.6652 17.9007 17.9007 18.2160 18.2160 19.8193 19.8193 19.9153 19.9153 k = 0.0000 0.4767-0.0000 ( 1686 PWs) bands (ev): 0.7814 0.7814 5.8671 5.8671 7.0722 7.0722 7.1462 7.1462 7.3620 7.3620 7.4543 7.4543 7.6426 7.6426 9.3079 9.3079 9.6273 9.6273 9.6682 9.6682 9.6768 9.6768 10.7308 10.7308 11.0647 11.0647 11.1109 11.1109 12.2550 12.2550 12.4101 12.4101 12.5145 12.5145 12.7889 12.7889 12.8489 12.8489 12.8918 12.8918 13.2782 13.2782 13.6391 13.6391 14.6255 14.6255 14.6732 14.6732 17.9034 17.9034 18.2143 18.2143 19.8213 19.8213 19.9169 19.9169 k = 0.0000 0.4884-0.0000 ( 1686 PWs) bands (ev): 0.7866 0.7866 5.8589 5.8589 7.0725 7.0725 7.1461 7.1461 7.3620 7.3620 7.4546 7.4546 7.6433 7.6433 9.3847 9.3847 9.5493 9.5493 9.6625 9.6625 9.6752 9.6752 10.7310 10.7310 11.0645 11.0645 11.1108 11.1108 12.2613 12.2613 12.4082 12.4082 12.5130 12.5130 12.7879 12.7879 12.8479 12.8479 12.8913 12.8913 13.2738 13.2738 13.6391 13.6391 14.6303 14.6303 14.6781 14.6781 17.9051 17.9051 18.2132 18.2132 19.8225 19.8225 19.9179 19.9179 k = 0.0000 0.5000-0.0000 ( 1686 PWs) bands (ev): 0.7883 0.7883 5.8561 5.8561 7.0726 7.0726 7.1461 7.1461 7.3620 7.3620 7.4547 7.4547 7.6436 7.6436 9.4487 9.4487 9.4840 9.4840 9.6614 9.6614 9.6747 9.6747 10.7310 10.7310 11.0644 11.0644 11.1107 11.1107 12.2634 12.2634 12.4076 12.4076 12.5125 12.5125 12.7875 12.7875 12.8476 12.8476 12.8911 12.8911 13.2723 13.2723 13.6391 13.6391 14.6319 14.6319 14.6798 14.6798 17.9056 17.9056 18.2129 18.2129 19.8229 19.8229 19.9182 19.9182 k = 0.0000 0.5000-0.0000 ( 1686 PWs) bands (ev): 0.7883 0.7883 5.8561 5.8561 7.0726 7.0726 7.1461 7.1461 7.3620 7.3620 7.4547 7.4547 7.6436 7.6436 9.4487 9.4487 9.4840 9.4840 9.6614 9.6614 9.6747 9.6747 10.7310 10.7310 11.0644 11.0644 11.1107 11.1107 12.2634 12.2634 12.4076 12.4076 12.5125 12.5125 12.7875 12.7875 12.8476 12.8476 12.8911 12.8911 13.2723 13.2723 13.6391 13.6391 14.6319 14.6319 14.6798 14.6798 17.9056 17.9056 18.2129 18.2129 19.8229 19.8229 19.9182 19.9182 k = 0.0116 0.5000-0.0000 ( 1686 PWs) bands (ev): 0.7893 0.7893 5.8570 5.8570 7.0727 7.0727 7.1460 7.1460 7.3621 7.3621 7.4547 7.4547 7.6435 7.6435 9.4476 9.4476 9.4787 9.4787 9.6615 9.6615 9.6752 9.6752 10.7334 10.7334 11.0649 11.0649 11.1111 11.1111 12.2625 12.2625 12.4075 12.4075 12.5122 12.5122 12.7851 12.7851 12.8447 12.8447 12.8970 12.8970 13.2722 13.2722 13.6373 13.6373 14.6328 14.6328 14.6807 14.6807 17.9008 17.9008 18.2162 18.2162 19.8193 19.8193 19.9147 19.9147 k = 0.0233 0.5000-0.0000 ( 1682 PWs) bands (ev): 0.7922 0.7922 5.8596 5.8596 7.0731 7.0731 7.1458 7.1458 7.3621 7.3621 7.4548 7.4548 7.6433 7.6433 9.4437 9.4437 9.4639 9.4639 9.6575 9.6575 9.6802 9.6802 10.7407 10.7407 11.0661 11.0661 11.1124 11.1124 12.2600 12.2600 12.4075 12.4075 12.5112 12.5112 12.7772 12.7772 12.8406 12.8406 12.9104 12.9104 13.2722 13.2722 13.6321 13.6321 14.6348 14.6348 14.6842 14.6842 17.8862 17.8862 18.2262 18.2262 19.8058 19.8058 19.9081 19.9081 k = 0.0349 0.5000-0.0000 ( 1674 PWs) bands (ev): 0.7971 0.7971 5.8640 5.8640 7.0737 7.0737 7.1455 7.1455 7.3623 7.3623 7.4551 7.4551 7.6428 7.6428 9.4322 9.4322 9.4461 9.4461 9.6475 9.6475 9.6906 9.6906 10.7527 10.7527 11.0682 11.0682 11.1144 11.1144 12.2558 12.2558 12.4071 12.4071 12.5099 12.5099 12.7642 12.7642 12.8402 12.8402 12.9266 12.9266 13.2721 13.2721 13.6236 13.6236 14.6369 14.6369 14.6911 14.6911 17.8618 17.8618 18.2427 18.2427 19.7779 19.7779 19.9063 19.9063 k = 0.0465 0.5000-0.0000 ( 1670 PWs) bands (ev): 0.8039 0.8039 5.8702 5.8702 7.0745 7.0745 7.1451 7.1451 7.3625 7.3625 7.4552 7.4552 7.6422 7.6422 9.4036 9.4036 9.4361 9.4361 9.6328 9.6328 9.7040 9.7040 10.7685 10.7685 11.0711 11.0711 11.1172 11.1172 12.2501 12.2501 12.4059 12.4059 12.5084 12.5084 12.7474 12.7474 12.8435 12.8435 12.9437 12.9437 13.2718 13.2718 13.6120 13.6120 14.6375 14.6375 14.7027 14.7027 17.8271 17.8271 18.2656 18.2656 19.7367 19.7367 19.9125 19.9125 k = 0.0581 0.5000-0.0000 ( 1676 PWs) bands (ev): 0.8125 0.8125 5.8781 5.8781 7.0754 7.0754 7.1445 7.1445 7.3627 7.3627 7.4554 7.4554 7.6414 7.6414 9.3656 9.3656 9.4269 9.4269 9.6143 9.6143 9.7191 9.7191 10.7880 10.7880 11.0745 11.0745 11.1207 11.1207 12.2428 12.2428 12.4036 12.4036 12.5069 12.5069 12.7283 12.7283 12.8499 12.8499 12.9607 12.9607 13.2715 13.2715 13.5975 13.5975 14.6362 14.6362 14.7191 14.7191 17.7820 17.7820 18.2943 18.2943 19.6878 19.6878 19.9255 19.9255 k = 0.0698 0.5000-0.0000 ( 1676 PWs) bands (ev): 0.8231 0.8231 5.8877 5.8877 7.0766 7.0766 7.1438 7.1438 7.3631 7.3631 7.4556 7.4556 7.6405 7.6405 9.3213 9.3213 9.4167 9.4167 9.5926 9.5926 9.7359 9.7359 10.8108 10.8108 11.0786 11.0786 11.1248 11.1248 12.2343 12.2343 12.3997 12.3997 12.5059 12.5059 12.7082 12.7082 12.8589 12.8589 12.9775 12.9775 13.2710 13.2710 13.5805 13.5805 14.6330 14.6330 14.7400 14.7400 17.7262 17.7262 18.3287 18.3287 19.6368 19.6368 19.9439 19.9439 k = 0.0814 0.5000-0.0000 ( 1678 PWs) bands (ev): 0.8355 0.8355 5.8989 5.8989 7.0779 7.0779 7.1430 7.1430 7.3635 7.3635 7.4559 7.4559 7.6394 7.6394 9.2713 9.2713 9.4050 9.4050 9.5681 9.5681 9.7539 9.7539 10.8366 10.8366 11.0832 11.0832 11.1295 11.1295 12.2247 12.2247 12.3937 12.3937 12.5054 12.5054 12.6879 12.6879 12.8701 12.8701 12.9940 12.9940 13.2704 13.2704 13.5613 13.5613 14.6284 14.6284 14.7648 14.7648 17.6599 17.6599 18.3683 18.3683 19.5877 19.5877 19.9670 19.9670 k = 0.0930 0.5000-0.0000 ( 1678 PWs) bands (ev): 0.8497 0.8497 5.9118 5.9118 7.0794 7.0794 7.1419 7.1419 7.3640 7.3640 7.4563 7.4563 7.6382 7.6382 9.2159 9.2159 9.3922 9.3922 9.5412 9.5412 9.7732 9.7732 10.8648 10.8648 11.0880 11.0880 11.1345 11.1345 12.2143 12.2143 12.3857 12.3857 12.5052 12.5052 12.6681 12.6681 12.8832 12.8832 13.0100 13.0100 13.2697 13.2697 13.5403 13.5403 14.6224 14.6224 14.7928 14.7928 17.5834 17.5834 18.4128 18.4128 19.5432 19.5432 19.9942 19.9942 k = 0.1047 0.5000-0.0000 ( 1678 PWs) bands (ev): 0.8657 0.8657 5.9263 5.9263 7.0810 7.0810 7.1408 7.1408 7.3647 7.3647 7.4567 7.4567 7.6368 7.6368 9.1556 9.1556 9.3781 9.3781 9.5125 9.5125 9.7937 9.7937 10.8952 10.8952 11.0934 11.0934 11.1400 11.1400 12.2029 12.2029 12.3755 12.3755 12.5044 12.5044 12.6499 12.6499 12.8981 12.8981 13.0254 13.0254 13.2687 13.2687 13.5175 13.5175 14.6153 14.6153 14.8237 14.8237 17.4973 17.4973 18.4614 18.4614 19.5051 19.5051 20.0255 20.0255 k = 0.1163 0.5000-0.0000 ( 1678 PWs) bands (ev): 0.8835 0.8835 5.9424 5.9424 7.0826 7.0826 7.1396 7.1396 7.3654 7.3654 7.4571 7.4571 7.6354 7.6354 9.0907 9.0907 9.3631 9.3631 9.4822 9.4822 9.8155 9.8155 10.9273 10.9273 11.0991 11.0991 11.1455 11.1455 12.1909 12.1909 12.3635 12.3635 12.5018 12.5018 12.6344 12.6344 12.9147 12.9147 13.0402 13.0402 13.2674 13.2674 13.4935 13.4935 14.6073 14.6073 14.8569 14.8569 17.4025 17.4025 18.5137 18.5137 19.4743 19.4743 20.0605 20.0605 k = 0.1279 0.5000-0.0000 ( 1686 PWs) bands (ev): 0.9029 0.9029 5.9599 5.9599 7.0842 7.0842 7.1382 7.1382 7.3662 7.3662 7.4576 7.4576 7.6338 7.6338 9.0216 9.0216 9.3472 9.3472 9.4507 9.4507 9.8386 9.8386 10.9608 10.9608 11.1048 11.1048 11.1509 11.1509 12.1784 12.1784 12.3498 12.3498 12.4958 12.4958 12.6231 12.6231 12.9326 12.9326 13.0543 13.0543 13.2655 13.2655 13.4683 13.4683 14.5982 14.5982 14.8923 14.8923 17.3002 17.3002 18.5692 18.5692 19.4509 19.4509 20.0993 20.0993 k = 0.1395 0.5000-0.0000 ( 1686 PWs) bands (ev): 0.9240 0.9240 5.9789 5.9789 7.0857 7.0857 7.1367 7.1367 7.3672 7.3672 7.4582 7.4582 7.6322 7.6322 8.9488 8.9488 9.3307 9.3307 9.4183 9.4183 9.8629 9.8629 10.9954 10.9954 11.1108 11.1108 11.1562 11.1562 12.1655 12.1655 12.3351 12.3351 12.4853 12.4853 12.6172 12.6172 12.9520 12.9520 13.0679 13.0679 13.2636 13.2636 13.4422 13.4422 14.5885 14.5885 14.9294 14.9294 17.1914 17.1914 18.6273 18.6273 19.4349 19.4349 20.1417 20.1417 k = 0.1512 0.5000-0.0000 ( 1688 PWs) bands (ev): 0.9467 0.9467 5.9992 5.9992 7.0871 7.0871 7.1352 7.1352 7.3682 7.3682 7.4588 7.4588 7.6305 7.6305 8.8725 8.8725 9.3137 9.3137 9.3853 9.3853 9.8885 9.8885 11.0308 11.0308 11.1167 11.1167 11.1613 11.1613 12.1523 12.1523 12.3195 12.3195 12.4700 12.4700 12.6166 12.6166 12.9727 12.9727 13.0807 13.0807 13.2611 13.2611 13.4154 13.4154 14.5779 14.5779 14.9681 14.9681 17.0776 17.0776 18.6876 18.6876 19.4259 19.4259 20.1877 20.1877 k = 0.1628 0.5000-0.0000 ( 1680 PWs) bands (ev): 0.9709 0.9709 6.0209 6.0209 7.0882 7.0882 7.1338 7.1338 7.3695 7.3695 7.4595 7.4595 7.6288 7.6288 8.7933 8.7933 9.2963 9.2963 9.3520 9.3520 9.9153 9.9153 11.0667 11.0667 11.1224 11.1224 11.1663 11.1663 12.1392 12.1392 12.3037 12.3037 12.4511 12.4511 12.6201 12.6201 12.9948 12.9948 13.0930 13.0930 13.2584 13.2584 13.3883 13.3883 14.5668 14.5668 15.0080 15.0080 16.9599 16.9599 18.7495 18.7495 19.4234 19.4234 20.2372 20.2372 k = 0.1744 0.5000-0.0000 ( 1680 PWs) bands (ev): 0.9966 0.9966 6.0438 6.0438 7.0888 7.0888 7.1325 7.1325 7.3707 7.3707 7.4602 7.4602 7.6271 7.6271 8.7117 8.7117 9.2785 9.2785 9.3187 9.3187 9.9433 9.9433 11.1026 11.1026 11.1274 11.1274 11.1714 11.1714 12.1261 12.1261 12.2873 12.2873 12.4294 12.4294 12.6267 12.6267 13.0178 13.0178 13.1045 13.1045 13.2551 13.2551 13.3606 13.3606 14.5551 14.5551 15.0489 15.0489 16.8394 16.8394 18.8126 18.8126 19.4268 19.4268 20.2902 20.2902 k = 0.1860 0.5000-0.0000 ( 1688 PWs) bands (ev): 1.0236 1.0236 6.0677 6.0677 7.0888 7.0888 7.1313 7.1313 7.3720 7.3720 7.4608 7.4608 7.6253 7.6253 8.6280 8.6280 9.2601 9.2601 9.2860 9.2860 9.9725 9.9725 11.1293 11.1293 11.1395 11.1395 11.1777 11.1777 12.1131 12.1131 12.2708 12.2708 12.4058 12.4058 12.6351 12.6351 13.0413 13.0413 13.1154 13.1154 13.2513 13.2513 13.3326 13.3326 14.5428 14.5428 15.0907 15.0907 16.7170 16.7170 18.8765 18.8765 19.4356 19.4356 20.3466 20.3466 k = 0.1977 0.5000-0.0000 ( 1688 PWs) bands (ev): 1.0519 1.0519 6.0927 6.0927 7.0881 7.0881 7.1305 7.1305 7.3733 7.3733 7.4615 7.4615 7.6237 7.6237 8.5431 8.5431 9.2391 9.2391 9.2562 9.2562 10.0026 10.0026 11.1315 11.1315 11.1685 11.1685 11.1906 11.1906 12.1007 12.1007 12.2546 12.2546 12.3813 12.3813 12.6449 12.6449 13.0654 13.0654 13.1260 13.1260 13.2471 13.2471 13.3045 13.3045 14.5302 14.5302 15.1331 15.1331 16.5938 16.5938 18.9407 18.9407 19.4492 19.4492 20.4064 20.4064 k = 0.2093 0.5000-0.0000 ( 1688 PWs) bands (ev): 1.0814 1.0814 6.1187 6.1187 7.0865 7.0865 7.1302 7.1302 7.3746 7.3746 7.4622 7.4622 7.6221 7.6221 8.4573 8.4573 9.2116 9.2116 9.2336 9.2336 10.0338 10.0338 11.1303 11.1303 11.1825 11.1825 11.2202 11.2202 12.0886 12.0886 12.2387 12.2387 12.3560 12.3560 12.6556 12.6556 13.0889 13.0889 13.1366 13.1366 13.2427 13.2427 13.2766 13.2766 14.5173 14.5173 15.1760 15.1760 16.4704 16.4704 19.0050 19.0050 19.4672 19.4672 20.4694 20.4694 k = 0.2209 0.5000-0.0000 ( 1688 PWs) bands (ev): 1.1119 1.1119 6.1455 6.1455 7.0838 7.0838 7.1302 7.1302 7.3759 7.3759 7.4628 7.4628 7.6205 7.6205 8.3711 8.3711 9.1802 9.1802 9.2157 9.2157 10.0658 10.0658 11.1262 11.1262 11.1917 11.1917 11.2555 11.2555 12.0770 12.0770 12.2233 12.2233 12.3304 12.3304 12.6668 12.6668 13.1097 13.1097 13.1488 13.1488 13.2377 13.2377 13.2499 13.2499 14.5041 14.5041 15.2192 15.2192 16.3476 16.3476 19.0691 19.0691 19.4892 19.4892 20.5358 20.5358 k = 0.2326 0.5000-0.0000 ( 1690 PWs) bands (ev): 1.1433 1.1433 6.1731 6.1731 7.0799 7.0799 7.1307 7.1307 7.3769 7.3769 7.4634 7.4634 7.6190 7.6190 8.2853 8.2853 9.1484 9.1484 9.1996 9.1996 10.0986 10.0986 11.1190 11.1190 11.2009 11.2009 11.2919 11.2919 12.0661 12.0661 12.2085 12.2085 12.3046 12.3046 12.6783 12.6783 13.1241 13.1241 13.1648 13.1648 13.2199 13.2199 13.2379 13.2379 14.4908 14.4908 15.2624 15.2624 16.2257 16.2257 19.1327 19.1327 19.5146 19.5146 20.6053 20.6053 k = 0.2442 0.5000-0.0000 ( 1690 PWs) bands (ev): 1.1756 1.1756 6.2012 6.2012 7.0750 7.0750 7.1316 7.1316 7.3777 7.3777 7.4638 7.4638 7.6175 7.6175 8.2004 8.2004 9.1167 9.1167 9.1846 9.1846 10.1320 10.1320 11.1091 11.1091 11.2107 11.2107 11.3280 11.3280 12.0559 12.0559 12.1945 12.1945 12.2788 12.2788 12.6900 12.6900 13.1307 13.1307 13.1800 13.1800 13.1976 13.1976 13.2385 13.2385 14.4775 14.4775 15.3056 15.3056 16.1055 16.1055 19.1956 19.1956 19.5431 19.5431 20.6779 20.6779 k = 0.2558 0.5000-0.0000 ( 1690 PWs) bands (ev): 1.2086 1.2086 6.2298 6.2298 7.0689 7.0689 7.1326 7.1326 7.3782 7.3782 7.4640 7.4640 7.6160 7.6160 8.1173 8.1173 9.0856 9.0856 9.1707 9.1707 10.1659 10.1659 11.0964 11.0964 11.2212 11.2212 11.3638 11.3638 12.0465 12.0465 12.1811 12.1811 12.2532 12.2532 12.7016 12.7016 13.1297 13.1297 13.1659 13.1659 13.2020 13.2020 13.2486 13.2486 14.4643 14.4643 15.3486 15.3486 15.9874 15.9874 19.2576 19.2576 19.5744 19.5744 20.7537 20.7537 k = 0.2674 0.5000-0.0000 ( 1686 PWs) bands (ev): 1.2422 1.2422 6.2588 6.2588 7.0616 7.0616 7.1339 7.1339 7.3780 7.3780 7.4641 7.4641 7.6145 7.6145 8.0368 8.0368 9.0552 9.0552 9.1579 9.1579 10.2002 10.2002 11.0811 11.0811 11.2323 11.2323 11.3992 11.3992 12.0378 12.0378 12.1683 12.1683 12.2283 12.2283 12.7132 12.7132 13.1191 13.1191 13.1473 13.1473 13.2085 13.2085 13.2703 13.2703 14.4514 14.4514 15.3912 15.3912 15.8716 15.8716 19.3186 19.3186 19.6082 19.6082 20.8325 20.8325 k = 0.2791 0.5000-0.0000 ( 1682 PWs) bands (ev): 1.2761 1.2761 6.2879 6.2879 7.0530 7.0530 7.1351 7.1351 7.3770 7.3770 7.4641 7.4641 7.6125 7.6125 7.9600 7.9600 9.0258 9.0258 9.1461 9.1461 10.2346 10.2346 11.0633 11.0633 11.2438 11.2438 11.4341 11.4341 12.0300 12.0300 12.1555 12.1555 12.2048 12.2048 12.7246 12.7246 13.0984 13.0984 13.1343 13.1343 13.2122 13.2122 13.2987 13.2987 14.4387 14.4387 15.4332 15.4332 15.7583 15.7583 19.3785 19.3785 19.6441 19.6441 20.9143 20.9143 k = 0.2907 0.5000-0.0000 ( 1682 PWs) bands (ev): 1.3102 1.3102 6.3171 6.3171 7.0427 7.0427 7.1364 7.1364 7.3749 7.3749 7.4637 7.4637 7.6100 7.6100 7.8881 7.8881 8.9972 8.9972 9.1356 9.1356 10.2690 10.2690 11.0431 11.0431 11.2558 11.2558 11.4682 11.4682 12.0229 12.0229 12.1418 12.1418 12.1836 12.1836 12.7357 12.7357 13.0738 13.0738 13.1221 13.1221 13.2155 13.2155 13.3301 13.3301 14.4263 14.4263 15.4742 15.4742 15.6481 15.6481 19.4373 19.4373 19.6819 19.6819 20.9990 20.9990 k = 0.3023 0.5000-0.0000 ( 1674 PWs) bands (ev): 1.3443 1.3443 6.3462 6.3462 7.0307 7.0307 7.1375 7.1375 7.3711 7.3711 7.4632 7.4632 7.6061 7.6061 7.8231 7.8231 8.9697 8.9697 9.1264 9.1264 10.3034 10.3034 11.0209 11.0209 11.2681 11.2681 11.5014 11.5014 12.0169 12.0169 12.1256 12.1256 12.1666 12.1666 12.7465 12.7465 13.0484 13.0484 13.1086 13.1086 13.2189 13.2189 13.3635 13.3635 14.4144 14.4144 15.5115 15.5115 15.5438 15.5438 19.4950 19.4950 19.7212 19.7212 21.0865 21.0865 k = 0.3140 0.5000-0.0000 ( 1674 PWs) bands (ev): 1.3783 1.3783 6.3750 6.3750 7.0165 7.0165 7.1385 7.1385 7.3651 7.3651 7.4624 7.4624 7.5997 7.5997 7.7674 7.7674 8.9433 8.9433 9.1184 9.1184 10.3373 10.3373 10.9967 10.9967 11.2808 11.2808 11.5338 11.5338 12.0115 12.0115 12.1061 12.1061 12.1545 12.1545 12.7569 12.7569 13.0229 13.0229 13.0932 13.0932 13.2224 13.2224 13.3982 13.3982 14.4030 14.4030 15.4349 15.4349 15.5554 15.5554 19.5515 19.5515 19.7616 19.7616 21.1767 21.1767 k = 0.3256 0.5000-0.0000 ( 1678 PWs) bands (ev): 1.4118 1.4118 6.4034 6.4034 6.9999 6.9999 7.1393 7.1393 7.3562 7.3562 7.4614 7.4614 7.5891 7.5891 7.7238 7.7238 8.9180 8.9180 9.1117 9.1117 10.3707 10.3707 10.9710 10.9710 11.2937 11.2937 11.5649 11.5649 12.0068 12.0068 12.0845 12.0845 12.1461 12.1461 12.7668 12.7668 12.9979 12.9979 13.0762 13.0762 13.2259 13.2259 13.4339 13.4339 14.3920 14.3920 15.3344 15.3344 15.5929 15.5929 19.6068 19.6068 19.8030 19.8030 21.2687 21.2687 k = 0.3372 0.5000-0.0000 ( 1678 PWs) bands (ev): 1.4448 1.4448 6.4313 6.4313 6.9804 6.9804 7.1399 7.1399 7.3439 7.3439 7.4604 7.4604 7.5736 7.5736 7.6946 7.6946 8.8941 8.8941 9.1064 9.1064 10.4033 10.4033 10.9440 10.9440 11.3068 11.3068 11.5952 11.5952 12.0029 12.0029 12.0620 12.0620 12.1403 12.1403 12.7763 12.7763 12.9734 12.9734 13.0579 13.0579 13.2294 13.2294 13.4708 13.4708 14.3817 14.3817 15.2369 15.2369 15.6294 15.6294 19.6609 19.6609 19.8449 19.8449 21.2847 21.2847 k = 0.3488 0.5000-0.0000 ( 1682 PWs) bands (ev): 1.4770 1.4770 6.4583 6.4583 6.9579 6.9579 7.1403 7.1403 7.3282 7.3282 7.4593 7.4593 7.5552 7.5552 7.6779 7.6779 8.8714 8.8714 9.1023 9.1023 10.4347 10.4347 10.9162 10.9162 11.3201 11.3201 11.6242 11.6242 11.9997 11.9997 12.0396 12.0396 12.1363 12.1363 12.7853 12.7853 12.9496 12.9496 13.0385 13.0385 13.2328 13.2328 13.5085 13.5085 14.3720 14.3720 15.1426 15.1426 15.6643 15.6643 19.7139 19.7139 19.8869 19.8869 21.2201 21.2201 k = 0.3605 0.5000-0.0000 ( 1678 PWs) bands (ev): 1.5082 1.5082 6.4844 6.4844 6.9322 6.9322 7.1405 7.1405 7.3102 7.3102 7.4584 7.4584 7.5379 7.5379 7.6695 7.6695 8.8502 8.8502 9.0994 9.0994 10.4651 10.4651 10.8879 10.8879 11.3335 11.3335 11.6518 11.6518 11.9969 11.9969 12.0180 12.0180 12.1338 12.1338 12.7938 12.7938 12.9267 12.9267 13.0185 13.0185 13.2359 13.2359 13.5473 13.5473 14.3630 14.3630 15.0519 15.0519 15.6975 15.6975 19.7658 19.7658 19.9288 19.9288 21.1557 21.1557 k = 0.3721 0.5000-0.0000 ( 1676 PWs) bands (ev): 1.5381 1.5381 6.5094 6.5094 6.9039 6.9039 7.1405 7.1405 7.2911 7.2911 7.4577 7.4577 7.5236 7.5236 7.6656 7.6656 8.8303 8.8303 9.0977 9.0977 10.4942 10.4942 10.8595 10.8595 11.3468 11.3468 11.6779 11.6779 11.9907 11.9907 12.0012 12.0012 12.1323 12.1323 12.8017 12.8017 12.9048 12.9048 12.9981 12.9981 13.2389 13.2389 13.5868 13.5868 14.3546 14.3546 14.9648 14.9648 15.7288 15.7288 19.8167 19.8167 19.9700 19.9700 21.0925 21.0925 k = 0.3837 0.5000-0.0000 ( 1676 PWs) bands (ev): 1.5664 1.5664 6.5331 6.5331 6.8733 6.8733 7.1402 7.1402 7.2725 7.2725 7.4570 7.4570 7.5128 7.5128 7.6641 7.6641 8.8121 8.8121 9.0971 9.0971 10.5215 10.5215 10.8314 10.8314 11.3600 11.3600 11.7022 11.7022 11.9732 11.9732 11.9973 11.9973 12.1317 12.1317 12.8089 12.8089 12.8840 12.8840 12.9774 12.9774 13.2416 13.2416 13.6272 13.6272 14.3469 14.3469 14.8813 14.8813 15.7579 15.7579 19.8665 19.8665 20.0101 20.0101 21.0309 21.0309 k = 0.3953 0.5000-0.0000 ( 1676 PWs) bands (ev): 1.5930 1.5930 6.5553 6.5553 6.8417 6.8417 7.1398 7.1398 7.2556 7.2556 7.4566 7.4566 7.5047 7.5047 7.6640 7.6640 8.7953 8.7953 9.0973 9.0973 10.5470 10.5470 10.8041 10.8041 11.3730 11.3730 11.7247 11.7247 11.9543 11.9543 11.9966 11.9966 12.1319 12.1319 12.8154 12.8154 12.8646 12.8646 12.9570 12.9570 13.2440 13.2440 13.6683 13.6683 14.3397 14.3397 14.8014 14.8014 15.7849 15.7849 19.9152 19.9152 20.0488 20.0488 20.9709 20.9709 k = 0.4070 0.5000-0.0000 ( 1676 PWs) bands (ev): 1.6176 1.6176 6.5758 6.5758 6.8099 6.8099 7.1391 7.1391 7.2409 7.2409 7.4562 7.4562 7.4988 7.4988 7.6646 7.6646 8.7802 8.7802 9.0984 9.0984 10.5704 10.5704 10.7780 10.7780 11.3855 11.3855 11.7449 11.7449 11.9365 11.9365 11.9969 11.9969 12.1326 12.1326 12.8211 12.8211 12.8468 12.8468 12.9372 12.9372 13.2462 13.2462 13.7100 13.7100 14.3331 14.3331 14.7254 14.7254 15.8094 15.8094 19.9627 19.9627 20.0855 20.0855 20.9129 20.9129 k = 0.4186 0.5000-0.0000 ( 1672 PWs) bands (ev): 1.6399 1.6399 6.5943 6.5943 6.7793 6.7793 7.1384 7.1384 7.2284 7.2284 7.4559 7.4559 7.4944 7.4944 7.6656 7.6656 8.7668 8.7668 9.0999 9.0999 10.5916 10.5916 10.7537 10.7537 11.3976 11.3976 11.7627 11.7627 11.9206 11.9206 11.9977 11.9977 12.1337 12.1337 12.8238 12.8238 12.8329 12.8329 12.9183 12.9183 13.2482 13.2482 13.7523 13.7523 14.3268 14.3268 14.6534 14.6534 15.8314 15.8314 20.0088 20.0088 20.1199 20.1199 20.8571 20.8571 k = 0.4302 0.5000-0.0000 ( 1672 PWs) bands (ev): 1.6598 1.6598 6.6108 6.6108 6.7509 6.7509 7.1376 7.1376 7.2181 7.2181 7.4555 7.4555 7.4912 7.4912 7.6668 7.6668 8.7550 8.7550 9.1019 9.1019 10.6103 10.6103 10.7315 10.7315 11.4087 11.4087 11.7774 11.7774 11.9070 11.9070 11.9988 11.9988 12.1351 12.1351 12.8137 12.8137 12.8330 12.8330 12.9007 12.9007 13.2498 13.2498 13.7949 13.7949 14.3206 14.3206 14.5860 14.5860 15.8508 15.8508 20.0531 20.0531 20.1514 20.1514 20.8037 20.8037 k = 0.4419 0.5000-0.0000 ( 1672 PWs) bands (ev): 1.6770 1.6770 6.6249 6.6249 6.7255 6.7255 7.1367 7.1367 7.2099 7.2099 7.4552 7.4552 7.4888 7.4888 7.6680 7.6680 8.7450 8.7450 9.1040 9.1040 10.6264 10.6264 10.7119 10.7119 11.4189 11.4189 11.7887 11.7887 11.8962 11.8962 12.0001 12.0001 12.1367 12.1367 12.8013 12.8013 12.8365 12.8365 12.8849 12.8849 13.2511 13.2511 13.8373 13.8373 14.3141 14.3141 14.5239 14.5239 15.8673 15.8673 20.0950 20.0950 20.1798 20.1798 20.7534 20.7534 k = 0.4535 0.5000-0.0000 ( 1672 PWs) bands (ev): 1.6914 1.6914 6.6364 6.6364 6.7042 6.7042 7.1359 7.1359 7.2034 7.2034 7.4549 7.4549 7.4871 7.4871 7.6691 7.6691 8.7367 8.7367 9.1061 9.1061 10.6398 10.6398 10.6953 10.6953 11.4278 11.4278 11.7964 11.7964 11.8888 11.8888 12.0014 12.0014 12.1382 12.1382 12.7906 12.7906 12.8396 12.8396 12.8714 12.8714 13.2523 13.2523 13.8787 13.8787 14.3064 14.3064 14.4687 14.4687 15.8811 15.8811 20.1333 20.1333 20.2049 20.2049 20.7070 20.7070 k = 0.4651 0.5000-0.0000 ( 1672 PWs) bands (ev): 1.7027 1.7027 6.6448 6.6448 6.6877 6.6877 7.1351 7.1351 7.1986 7.1986 7.4547 7.4547 7.4860 7.4860 7.6700 7.6700 8.7303 8.7303 9.1079 9.1079 10.6503 10.6503 10.6820 10.6820 11.4351 11.4351 11.8006 11.8006 11.8845 11.8845 12.0025 12.0025 12.1396 12.1396 12.7821 12.7821 12.8421 12.8421 12.8603 12.8603 13.2532 13.2532 13.9179 13.9179 14.2962 14.2962 14.4233 14.4233 15.8918 15.8918 20.1661 20.1661 20.2268 20.2268 20.6660 20.6660 k = 0.4767 0.5000-0.0000 ( 1672 PWs) bands (ev): 1.7109 1.7109 6.6492 6.6492 6.6773 6.6773 7.1345 7.1345 7.1952 7.1952 7.4544 7.4544 7.4852 7.4852 7.6707 7.6707 8.7257 8.7257 9.1094 9.1094 10.6578 10.6578 10.6723 10.6723 11.4405 11.4405 11.8022 11.8022 11.8827 11.8827 12.0034 12.0034 12.1406 12.1406 12.7759 12.7759 12.8438 12.8438 12.8522 12.8522 13.2538 13.2538 13.9521 13.9521 14.2823 14.2823 14.3911 14.3911 15.8995 15.8995 20.1910 20.1910 20.2453 20.2453 20.6326 20.6326 k = 0.4884 0.5000-0.0000 ( 1672 PWs) bands (ev): 1.7158 1.7158 6.6499 6.6499 6.6729 6.6729 7.1342 7.1342 7.1933 7.1933 7.4543 7.4543 7.4848 7.4848 7.6711 7.6711 8.7229 8.7229 9.1103 9.1103 10.6619 10.6619 10.6668 10.6668 11.4439 11.4439 11.8025 11.8025 11.8822 11.8822 12.0040 12.0040 12.1413 12.1413 12.7722 12.7722 12.8449 12.8449 12.8472 12.8472 13.2542 13.2542 13.9768 13.9768 14.2681 14.2681 14.3735 14.3735 15.9042 15.9042 20.2061 20.2061 20.2589 20.2589 20.6102 20.6102 k = 0.5000 0.5000-0.0000 ( 1692 PWs) bands (ev): 1.7174 1.7174 6.6494 6.6494 6.6719 6.6719 7.1340 7.1340 7.1925 7.1925 7.4542 7.4542 7.4846 7.4846 7.6712 7.6712 8.7220 8.7220 9.1105 9.1105 10.6624 10.6624 10.6657 10.6657 11.4451 11.4451 11.8023 11.8023 11.8820 11.8820 12.0039 12.0039 12.1413 12.1413 12.7706 12.7706 12.8449 12.8449 12.8457 12.8457 13.2539 13.2539 13.9858 13.9858 14.2616 14.2616 14.3681 14.3681 15.9057 15.9057 20.2111 20.2111 20.2640 20.2640 20.6021 20.6021 k = 0.5000 0.5000-0.0000 ( 1692 PWs) bands (ev): 1.7174 1.7174 6.6494 6.6494 6.6719 6.6719 7.1340 7.1340 7.1925 7.1925 7.4542 7.4542 7.4846 7.4846 7.6712 7.6712 8.7220 8.7220 9.1105 9.1105 10.6624 10.6624 10.6657 10.6657 11.4451 11.4451 11.8023 11.8023 11.8820 11.8820 12.0039 12.0039 12.1413 12.1413 12.7706 12.7706 12.8449 12.8449 12.8457 12.8457 13.2539 13.2539 13.9858 13.9858 14.2616 14.2616 14.3681 14.3681 15.9057 15.9057 20.2111 20.2111 20.2640 20.2640 20.6021 20.6021 k = 0.4918 0.4918-0.0000 ( 1680 PWs) bands (ev): 1.7158 1.7158 6.6501 6.6501 6.6727 6.6727 7.1341 7.1341 7.1932 7.1932 7.4543 7.4543 7.4847 7.4847 7.6711 7.6711 8.7229 8.7229 9.1103 9.1103 10.6625 10.6625 10.6661 10.6661 11.4439 11.4439 11.8024 11.8024 11.8821 11.8821 12.0039 12.0039 12.1412 12.1412 12.7720 12.7720 12.8454 12.8454 12.8467 12.8467 13.2540 13.2540 13.9767 13.9767 14.2680 14.2680 14.3735 14.3735 15.9042 15.9042 20.2060 20.2060 20.2591 20.2591 20.6101 20.6101 k = 0.4836 0.4836-0.0000 ( 1672 PWs) bands (ev): 1.7109 1.7109 6.6514 6.6514 6.6751 6.6751 7.1345 7.1345 7.1952 7.1952 7.4544 7.4544 7.4852 7.4852 7.6707 7.6707 8.7257 8.7257 9.1094 9.1094 10.6624 10.6624 10.6678 10.6678 11.4406 11.4406 11.8023 11.8023 11.8827 11.8827 12.0034 12.0034 12.1406 12.1406 12.7759 12.7759 12.8467 12.8467 12.8493 12.8493 13.2538 13.2538 13.9524 13.9524 14.2817 14.2817 14.3913 14.3913 15.8996 15.8996 20.1889 20.1889 20.2482 20.2482 20.6319 20.6319 k = 0.4754 0.4754-0.0000 ( 1672 PWs) bands (ev): 1.7027 1.7027 6.6528 6.6528 6.6800 6.6800 7.1350 7.1350 7.1984 7.1984 7.4546 7.4546 7.4860 7.4860 7.6700 7.6700 8.7302 8.7302 9.1078 9.1078 10.6614 10.6614 10.6711 10.6711 11.4351 11.4351 11.8007 11.8007 11.8845 11.8845 12.0023 12.0023 12.1396 12.1396 12.7820 12.7820 12.8487 12.8487 12.8538 12.8538 13.2532 13.2532 13.9188 13.9188 14.2942 14.2942 14.4241 14.4241 15.8919 15.8919 20.1584 20.1584 20.2370 20.2370 20.6636 20.6636 k = 0.4672 0.4672-0.0000 ( 1672 PWs) bands (ev): 1.6913 1.6913 6.6537 6.6537 6.6880 6.6880 7.1355 7.1355 7.2027 7.2027 7.4547 7.4547 7.4872 7.4872 7.6690 7.6690 8.7367 8.7367 9.1057 9.1057 10.6600 10.6600 10.6761 10.6761 11.4279 11.4279 11.7966 11.7966 11.8887 11.8887 12.0008 12.0008 12.1382 12.1382 12.7903 12.7903 12.8514 12.8514 12.8599 12.8599 13.2523 13.2523 13.8807 13.8807 14.3024 14.3024 14.4704 14.4704 15.8811 15.8811 20.1177 20.1177 20.2262 20.2262 20.7013 20.7013 k = 0.4590 0.4590-0.0000 ( 1672 PWs) bands (ev): 1.6767 1.6767 6.6540 6.6540 6.6992 6.6992 7.1359 7.1359 7.2080 7.2080 7.4548 7.4548 7.4888 7.4888 7.6678 7.6678 8.7448 8.7448 9.1030 9.1030 10.6583 10.6583 10.6825 10.6825 11.4191 11.4191 11.7892 11.7892 11.8960 11.8960 11.9987 11.9987 12.1368 12.1368 12.8007 12.8007 12.8547 12.8547 12.8678 12.8678 13.2512 13.2512 13.8406 13.8406 14.3073 14.3073 14.5265 14.5265 15.8673 15.8673 20.0706 20.0706 20.2148 20.2148 20.7428 20.7428 k = 0.4508 0.4508-0.0000 ( 1676 PWs) bands (ev): 1.6591 1.6591 6.6540 6.6540 6.7135 6.7135 7.1362 7.1362 7.2141 7.2141 7.4546 7.4546 7.4911 7.4911 7.6664 7.6664 8.7548 8.7548 9.0999 9.0999 10.6564 10.6564 10.6903 10.6903 11.4090 11.4090 11.7783 11.7783 11.9066 11.9066 11.9958 11.9958 12.1353 12.1353 12.8129 12.8129 12.8584 12.8584 12.8773 12.8773 13.2499 13.2499 13.8000 13.8000 14.3104 14.3104 14.5893 14.5893 15.8505 15.8505 20.0195 20.0195 20.2019 20.2019 20.7866 20.7866 k = 0.4426 0.4426-0.0000 ( 1676 PWs) bands (ev): 1.6385 1.6385 6.6541 6.6541 6.7307 6.7307 7.1364 7.1364 7.2208 7.2208 7.4541 7.4541 7.4940 7.4940 7.6648 7.6648 8.7665 8.7665 9.0964 9.0964 10.6547 10.6547 10.6995 10.6995 11.3978 11.3978 11.7641 11.7641 11.9199 11.9199 11.9924 11.9924 12.1342 12.1342 12.8266 12.8266 12.8625 12.8625 12.8884 12.8884 13.2484 13.2484 13.7599 13.7599 14.3126 14.3126 14.6571 14.6571 15.8308 15.8308 19.9660 19.9660 20.1872 20.1872 20.8320 20.8320 k = 0.4344 0.4344-0.0000 ( 1672 PWs) bands (ev): 1.6150 1.6150 6.6544 6.6544 6.7507 6.7507 7.1364 7.1364 7.2279 7.2279 7.4535 7.4535 7.4975 7.4975 7.6632 7.6632 8.7798 8.7798 9.0927 9.0927 10.6534 10.6534 10.7100 10.7100 11.3860 11.3860 11.7473 11.7473 11.9354 11.9354 11.9884 11.9884 12.1337 12.1337 12.8412 12.8412 12.8671 12.8671 12.9011 12.9011 13.2467 13.2467 13.7207 13.7207 14.3142 14.3142 14.7291 14.7291 15.8083 15.8083 19.9110 19.9110 20.1705 20.1705 20.8788 20.8788 k = 0.4262 0.4262-0.0000 ( 1672 PWs) bands (ev): 1.5887 1.5887 6.6551 6.6551 6.7732 6.7732 7.1362 7.1362 7.2350 7.2350 7.4525 7.4525 7.5016 7.5016 7.6615 7.6615 8.7948 8.7948 9.0887 9.0887 10.6525 10.6525 10.7218 10.7218 11.3735 11.3735 11.7282 11.7282 11.9523 11.9523 11.9839 11.9839 12.1338 12.1338 12.8550 12.8550 12.8735 12.8735 12.9151 12.9151 13.2447 13.2447 13.6827 13.6827 14.3155 14.3155 14.8045 14.8045 15.7829 15.7829 19.8551 19.8551 20.1519 20.1519 20.9267 20.9267 k = 0.4180 0.4180-0.0000 ( 1672 PWs) bands (ev): 1.5599 1.5599 6.6563 6.6563 6.7980 6.7980 7.1360 7.1360 7.2419 7.2419 7.4513 7.4513 7.5060 7.5060 7.6599 7.6599 8.8114 8.8114 9.0846 9.0846 10.6524 10.6524 10.7349 10.7349 11.3606 11.3606 11.7071 11.7071 11.9666 11.9666 11.9825 11.9825 12.1349 12.1349 12.8641 12.8641 12.8851 12.8851 12.9305 12.9305 13.2425 13.2425 13.6460 13.6460 14.3166 14.3166 14.8830 14.8830 15.7547 15.7547 19.7989 19.7989 20.1312 20.1312 20.9758 20.9758 k = 0.4098 0.4098-0.0000 ( 1676 PWs) bands (ev): 1.5286 1.5286 6.6582 6.6582 6.8251 6.8251 7.1356 7.1356 7.2485 7.2485 7.4499 7.4499 7.5107 7.5107 7.6583 7.6583 8.8295 8.8295 9.0806 9.0806 10.6531 10.6531 10.7492 10.7492 11.3473 11.3473 11.6843 11.6843 11.9660 11.9660 11.9961 11.9961 12.1370 12.1370 12.8684 12.8684 12.9018 12.9018 12.9471 12.9471 13.2400 13.2400 13.6110 13.6110 14.3175 14.3175 14.9643 14.9643 15.7239 15.7239 19.7428 19.7428 20.1084 20.1084 21.0263 21.0263 k = 0.4016 0.4016-0.0000 ( 1676 PWs) bands (ev): 1.4949 1.4949 6.6609 6.6609 6.8541 6.8541 7.1352 7.1352 7.2548 7.2548 7.4482 7.4482 7.5155 7.5155 7.6570 7.6570 8.8491 8.8491 9.0769 9.0769 10.6550 10.6550 10.7646 10.7646 11.3340 11.3340 11.6603 11.6603 11.9589 11.9589 12.0163 12.0163 12.1404 12.1404 12.8701 12.8701 12.9207 12.9207 12.9650 12.9650 13.2375 13.2375 13.5777 13.5777 14.3183 14.3183 15.0480 15.0480 15.6905 15.6905 19.6869 19.6869 20.0835 20.0835 21.0783 21.0783 k = 0.3934 0.3934-0.0000 ( 1676 PWs) bands (ev): 1.4591 1.4591 6.6642 6.6642 6.8848 6.8848 7.1348 7.1348 7.2608 7.2608 7.4465 7.4465 7.5202 7.5202 7.6560 7.6560 8.8701 8.8701 9.0735 9.0735 10.6581 10.6581 10.7811 10.7811 11.3207 11.3207 11.6352 11.6352 11.9502 11.9502 12.0379 12.0379 12.1453 12.1453 12.8702 12.8702 12.9407 12.9407 12.9839 12.9839 13.2347 13.2347 13.5463 13.5463 14.3190 14.3190 15.1340 15.1340 15.6547 15.6547 19.6317 19.6317 20.0566 20.0566 21.1320 21.1320 k = 0.3852 0.3852-0.0000 ( 1674 PWs) bands (ev): 1.4213 1.4213 6.6684 6.6684 6.9168 6.9168 7.1346 7.1346 7.2664 7.2664 7.4447 7.4447 7.5246 7.5246 7.6553 7.6553 8.8924 8.8924 9.0708 9.0708 10.6627 10.6627 10.7987 10.7987 11.3075 11.3075 11.6091 11.6091 11.9403 11.9403 12.0599 12.0599 12.1517 12.1517 12.8687 12.8687 12.9613 12.9613 13.0039 13.0039 13.2317 13.2317 13.5168 13.5168 14.3194 14.3194 15.2222 15.2222 15.6166 15.6166 19.5773 19.5773 20.0277 20.0277 21.1876 21.1876 k = 0.3770 0.3770-0.0000 ( 1674 PWs) bands (ev): 1.3816 1.3816 6.6733 6.6733 6.9495 6.9495 7.1346 7.1346 7.2719 7.2719 7.4428 7.4428 7.5285 7.5285 7.6551 7.6551 8.9162 8.9162 9.0688 9.0688 10.6687 10.6687 10.8173 10.8173 11.2944 11.2944 11.5823 11.5823 11.9297 11.9297 12.0823 12.0823 12.1598 12.1598 12.8655 12.8655 12.9822 12.9822 13.0247 13.0247 13.2286 13.2286 13.4895 13.4895 14.3197 14.3197 15.3118 15.3118 15.5763 15.5763 19.5239 19.5239 19.9968 19.9968 21.2449 21.2449 k = 0.3689 0.3689-0.0000 ( 1672 PWs) bands (ev): 1.3402 1.3402 6.6789 6.6789 6.9820 6.9820 7.1352 7.1352 7.2775 7.2775 7.4409 7.4409 7.5319 7.5319 7.6556 7.6556 8.9411 8.9411 9.0679 9.0679 10.6762 10.6762 10.8366 10.8366 11.2815 11.2815 11.5550 11.5550 11.9183 11.9183 12.1044 12.1044 12.1701 12.1701 12.8606 12.8606 13.0034 13.0034 13.0463 13.0463 13.2254 13.2254 13.4645 13.4645 14.3199 14.3199 15.4023 15.4023 15.5347 15.5347 19.4717 19.4717 19.9639 19.9639 21.2308 21.2308 k = 0.3607 0.3607-0.0000 ( 1672 PWs) bands (ev): 1.2974 1.2974 6.6853 6.6853 7.0131 7.0131 7.1367 7.1367 7.2836 7.2836 7.4390 7.4390 7.5346 7.5346 7.6572 7.6572 8.9673 8.9673 9.0681 9.0681 10.6853 10.6853 10.8568 10.8568 11.2687 11.2687 11.5270 11.5270 11.9064 11.9064 12.1257 12.1257 12.1828 12.1828 12.8539 12.8539 13.0245 13.0245 13.0686 13.0686 13.2221 13.2221 13.4418 13.4418 14.3197 14.3197 15.4752 15.4752 15.5099 15.5099 19.4207 19.4207 19.9292 19.9292 21.1449 21.1449 k = 0.3525 0.3525-0.0000 ( 1674 PWs) bands (ev): 1.2532 1.2532 6.6922 6.6922 7.0412 7.0412 7.1398 7.1398 7.2907 7.2907 7.4371 7.4371 7.5365 7.5365 7.6601 7.6601 8.9945 8.9945 9.0698 9.0698 10.6959 10.6959 10.8778 10.8778 11.2561 11.2561 11.4988 11.4988 11.8940 11.8940 12.1455 12.1455 12.1985 12.1985 12.8455 12.8455 13.0453 13.0453 13.0912 13.0912 13.2187 13.2187 13.4215 13.4215 14.3193 14.3193 15.4392 15.4392 15.5932 15.5932 19.3712 19.3712 19.8927 19.8927 21.0609 21.0609 k = 0.3443 0.3443-0.0000 ( 1670 PWs) bands (ev): 1.2078 1.2078 6.6997 6.6997 7.0641 7.0641 7.1454 7.1454 7.2994 7.2994 7.4354 7.4354 7.5376 7.5376 7.6653 7.6653 9.0228 9.0228 9.0732 9.0732 10.7081 10.7081 10.8994 10.8994 11.2438 11.2438 11.4702 11.4702 11.8813 11.8813 12.1639 12.1639 12.2174 12.2174 12.8355 12.8355 13.0657 13.0657 13.1144 13.1144 13.2154 13.2154 13.4037 13.4037 14.3186 14.3186 15.3916 15.3916 15.6873 15.6873 19.3232 19.3232 19.8545 19.8545 20.9791 20.9791 k = 0.3361 0.3361-0.0000 ( 1668 PWs) bands (ev): 1.1614 1.1614 6.7076 6.7076 7.0799 7.0799 7.1538 7.1538 7.3100 7.3100 7.4338 7.4338 7.5377 7.5377 7.6736 7.6736 9.0515 9.0515 9.0788 9.0788 10.7218 10.7218 10.9217 10.9217 11.2319 11.2319 11.4415 11.4415 11.8684 11.8684 12.1810 12.1810 12.2388 12.2388 12.8238 12.8238 13.0853 13.0853 13.1377 13.1377 13.2126 13.2126 13.3883 13.3883 14.3174 14.3174 15.3418 15.3418 15.7825 15.7825 19.2769 19.2769 19.8147 19.8147 20.8996 20.8996 k = 0.3279 0.3279-0.0000 ( 1676 PWs) bands (ev): 1.1141 1.1141 6.7158 6.7158 7.0889 7.0889 7.1637 7.1637 7.3225 7.3225 7.4323 7.4323 7.5364 7.5364 7.6865 7.6865 9.0769 9.0769 9.0904 9.0904 10.7366 10.7366 10.9444 10.9444 11.2201 11.2201 11.4127 11.4127 11.8549 11.8549 12.1975 12.1975 12.2621 12.2621 12.8107 12.8107 13.1034 13.1034 13.1607 13.1607 13.2107 13.2107 13.3754 13.3754 14.3158 14.3158 15.2902 15.2902 15.8781 15.8781 19.2321 19.2321 19.7735 19.7735 20.8223 20.8223 k = 0.3197 0.3197-0.0000 ( 1676 PWs) bands (ev): 1.0662 1.0662 6.7244 6.7244 7.0934 7.0934 7.1727 7.1727 7.3360 7.3360 7.4311 7.4311 7.5336 7.5336 7.7054 7.7054 9.0902 9.0902 9.1171 9.1171 10.7526 10.7526 10.9676 10.9676 11.2087 11.2087 11.3838 11.3838 11.8417 11.8417 12.2139 12.2139 12.2867 12.2867 12.7965 12.7965 13.1194 13.1194 13.1830 13.1830 13.2108 13.2108 13.3651 13.3651 14.3137 14.3137 15.2373 15.2373 15.9739 15.9739 19.1892 19.1892 19.7309 19.7309 20.7470 20.7470 k = 0.3115 0.3115-0.0000 ( 1676 PWs) bands (ev): 1.0177 1.0177 6.7330 6.7330 7.0951 7.0951 7.1792 7.1792 7.3490 7.3490 7.4301 7.4301 7.5291 7.5291 7.7317 7.7317 9.1016 9.1016 9.1486 9.1486 10.7696 10.7696 10.9911 10.9911 11.1975 11.1975 11.3551 11.3551 11.8284 11.8284 12.2307 12.2307 12.3120 12.3120 12.7815 12.7815 13.1321 13.1321 13.2018 13.2018 13.2162 13.2162 13.3577 13.3577 14.3110 14.3110 15.1831 15.1831 16.0695 16.0695 19.1481 19.1481 19.6872 19.6872 20.6738 20.6738 k = 0.3033 0.3033-0.0000 ( 1684 PWs) bands (ev): 0.9688 0.9688 6.7416 6.7416 7.0952 7.0952 7.1829 7.1829 7.3602 7.3602 7.4293 7.4293 7.5228 7.5228 7.7661 7.7661 9.1146 9.1146 9.1816 9.1816 10.7874 10.7874 11.0148 11.0148 11.1866 11.1866 11.3264 11.3264 11.8151 11.8151 12.2479 12.2479 12.3378 12.3378 12.7660 12.7660 13.1403 13.1403 13.2119 13.2119 13.2320 13.2320 13.3535 13.3535 14.3076 14.3076 15.1278 15.1278 16.1646 16.1646 19.1089 19.1089 19.6424 19.6424 20.6026 20.6026 k = 0.2951 0.2951-0.0000 ( 1686 PWs) bands (ev): 0.9197 0.9197 6.7500 6.7500 7.0943 7.0943 7.1841 7.1841 7.3687 7.3687 7.4286 7.4286 7.5148 7.5148 7.8085 7.8085 9.1296 9.1296 9.2154 9.2154 10.8057 10.8057 11.0388 11.0388 11.1759 11.1759 11.2980 11.2980 11.8020 11.8020 12.2659 12.2659 12.3637 12.3637 12.7504 12.7504 13.1439 13.1439 13.2204 13.2204 13.2507 13.2507 13.3537 13.3537 14.3034 14.3034 15.0716 15.0716 16.2589 16.2589 19.0716 19.0716 19.5969 19.5969 20.5333 20.5333 k = 0.2869 0.2869-0.0000 ( 1682 PWs) bands (ev): 0.8705 0.8705 6.7582 6.7582 7.0929 7.0929 7.1833 7.1833 7.3744 7.3744 7.4280 7.4280 7.5055 7.5055 7.8584 7.8584 9.1469 9.1469 9.2501 9.2501 10.8242 10.8242 11.0627 11.0627 11.1655 11.1655 11.2699 11.2699 11.7893 11.7893 12.2847 12.2847 12.3899 12.3899 12.7351 12.7351 13.1440 13.1440 13.2287 13.2287 13.2682 13.2682 13.3593 13.3593 14.2985 14.2985 15.0146 15.0146 16.3522 16.3522 19.0364 19.0364 19.5508 19.5508 20.4659 20.4659 k = 0.2787 0.2787-0.0000 ( 1690 PWs) bands (ev): 0.8213 0.8213 6.7661 6.7661 7.0908 7.0908 7.1808 7.1808 7.3776 7.3776 7.4272 7.4272 7.4951 7.4951 7.9147 7.9147 9.1664 9.1664 9.2854 9.2854 10.8427 10.8427 11.0866 11.0866 11.1553 11.1553 11.2423 11.2423 11.7768 11.7768 12.3036 12.3036 12.4154 12.4154 12.7204 12.7204 13.1417 13.1417 13.2349 13.2349 13.2844 13.2844 13.3704 13.3704 14.2926 14.2926 14.9570 14.9570 16.4441 16.4441 19.0032 19.0032 19.5044 19.5044 20.4003 20.4003 k = 0.2705 0.2705-0.0000 ( 1696 PWs) bands (ev): 0.7722 0.7722 6.7733 6.7733 7.0883 7.0883 7.1768 7.1768 7.3787 7.3787 7.4261 7.4261 7.4841 7.4841 7.9769 7.9769 9.1882 9.1882 9.3214 9.3214 10.8607 10.8607 11.1100 11.1100 11.1452 11.1452 11.2153 11.2153 11.7647 11.7647 12.3234 12.3234 12.4406 12.4406 12.7070 12.7070 13.1382 13.1382 13.2377 13.2377 13.3002 13.3002 13.3865 13.3865 14.2857 14.2857 14.8988 14.8988 16.5343 16.5343 18.9722 18.9722 19.4578 19.4578 20.3364 20.3364 k = 0.2623 0.2623-0.0000 ( 1696 PWs) bands (ev): 0.7235 0.7235 6.7800 6.7800 7.0855 7.0855 7.1716 7.1716 7.3783 7.3783 7.4246 7.4246 7.4731 7.4731 8.0439 8.0439 9.2122 9.2122 9.3580 9.3580 10.8783 10.8783 11.1312 11.1312 11.1365 11.1365 11.1898 11.1898 11.7529 11.7529 12.3438 12.3438 12.4651 12.4651 12.6952 12.6952 13.1339 13.1339 13.2371 13.2371 13.3164 13.3164 13.4059 13.4059 14.2777 14.2777 14.8403 14.8403 16.6225 16.6225 18.9434 18.9434 19.4114 19.4114 20.2743 20.2743 k = 0.2541 0.2541-0.0000 ( 1688 PWs) bands (ev): 0.6751 0.6751 6.7860 6.7860 7.0825 7.0825 7.1652 7.1652 7.3767 7.3767 7.4226 7.4226 7.4625 7.4625 8.1151 8.1151 9.2385 9.2385 9.3952 9.3952 10.8951 10.8951 11.1245 11.1245 11.1482 11.1482 11.1723 11.1723 11.7418 11.7418 12.3647 12.3647 12.4885 12.4885 12.6858 12.6858 13.1291 13.1291 13.2339 13.2339 13.3331 13.3331 13.4275 13.4275 14.2686 14.2686 14.7818 14.7818 16.7085 16.7085 18.9170 18.9170 19.3655 19.3655 20.2138 20.2138 k = 0.2459 0.2459-0.0000 ( 1688 PWs) bands (ev): 0.6273 0.6273 6.7910 6.7910 7.0790 7.0790 7.1578 7.1578 7.3739 7.3739 7.4199 7.4199 7.4529 7.4529 8.1900 8.1900 9.2669 9.2669 9.4329 9.4329 10.9107 10.9107 11.1131 11.1131 11.1340 11.1340 11.1856 11.1856 11.7309 11.7309 12.3858 12.3858 12.5102 12.5102 12.6794 12.6794 13.1241 13.1241 13.2287 13.2287 13.3499 13.3499 13.4500 13.4500 14.2581 14.2581 14.7232 14.7232 16.7919 16.7919 18.8929 18.8929 19.3203 19.3203 20.1549 20.1549 k = 0.2377 0.2377-0.0000 ( 1692 PWs) bands (ev): 0.5800 0.5800 6.7951 6.7951 7.0752 7.0752 7.1493 7.1493 7.3703 7.3703 7.4161 7.4161 7.4449 7.4449 8.2680 8.2680 9.2974 9.2974 9.4711 9.4711 10.9249 10.9249 11.0975 11.0975 11.1158 11.1158 11.2071 11.2071 11.7205 11.7205 12.4069 12.4069 12.5296 12.5296 12.6770 12.6770 13.1188 13.1188 13.2221 13.2221 13.3668 13.3668 13.4730 13.4730 14.2460 14.2460 14.6648 14.6648 16.8724 16.8724 18.8714 18.8714 19.2762 19.2762 20.0977 20.0977 k = 0.2295 0.2295-0.0000 ( 1696 PWs) bands (ev): 0.5335 0.5335 6.7981 6.7981 7.0712 7.0712 7.1400 7.1400 7.3660 7.3660 7.4113 7.4113 7.4387 7.4387 8.3488 8.3488 9.3300 9.3300 9.5096 9.5096 10.9376 10.9376 11.0762 11.0762 11.1027 11.1027 11.2290 11.2290 11.7105 11.7105 12.4280 12.4280 12.5460 12.5460 12.6793 12.6793 13.1135 13.1135 13.2145 13.2145 13.3836 13.3836 13.4962 13.4962 14.2326 14.2326 14.6066 14.6066 16.9498 16.9498 18.8525 18.8525 19.2334 19.2334 20.0420 20.0420 k = 0.2213 0.2213-0.0000 ( 1691 PWs) bands (ev): 0.4879 0.4879 6.8000 6.8000 7.0669 7.0669 7.1299 7.1299 7.3613 7.3613 7.4058 7.4058 7.4345 7.4345 8.4322 8.4322 9.3647 9.3647 9.5486 9.5486 10.9484 10.9484 11.0531 11.0531 11.0921 11.0921 11.2508 11.2508 11.7010 11.7010 12.4489 12.4489 12.5594 12.5594 12.6871 12.6871 13.1081 13.1081 13.2060 13.2060 13.4001 13.4001 13.5194 13.5194 14.2176 14.2176 14.5490 14.5490 17.0237 17.0237 18.8364 18.8364 19.1924 19.1924 19.9879 19.9879 k = 0.2131 0.2131-0.0000 ( 1699 PWs) bands (ev): 0.4431 0.4431 6.8005 6.8005 7.0622 7.0622 7.1192 7.1192 7.3564 7.3564 7.3998 7.3998 7.4315 7.4315 8.5176 8.5176 9.4012 9.4012 9.5879 9.5879 10.9575 10.9575 11.0298 11.0298 11.0821 11.0821 11.2719 11.2719 11.6917 11.6917 12.4686 12.4686 12.5698 12.5698 12.6992 12.6992 13.1027 13.1027 13.1968 13.1968 13.4162 13.4162 13.5422 13.5422 14.2009 14.2009 14.4919 14.4919 17.0940 17.0940 18.8232 18.8232 19.1534 19.1534 19.9353 19.9353 k = 0.2049 0.2049-0.0000 ( 1699 PWs) bands (ev): 0.3994 0.3994 6.7997 6.7997 7.0574 7.0574 7.1081 7.1081 7.3514 7.3514 7.3940 7.3940 7.4295 7.4295 8.6051 8.6051 9.4396 9.4396 9.6275 9.6275 10.9645 10.9645 11.0069 11.0069 11.0723 11.0723 11.2927 11.2927 11.6827 11.6827 12.4875 12.4875 12.5789 12.5789 12.7152 12.7152 13.0973 13.0973 13.1870 13.1870 13.4320 13.4320 13.5648 13.5648 14.1825 14.1825 14.4356 14.4356 17.1602 17.1602 18.8130 18.8130 19.1168 19.1168 19.8843 19.8843 k = 0.1967 0.1967-0.0000 ( 1703 PWs) bands (ev): 0.3567 0.3567 6.7976 6.7976 7.0523 7.0523 7.0968 7.0968 7.3467 7.3467 7.3883 7.3883 7.4281 7.4281 8.6942 8.6942 9.4798 9.4798 9.6672 9.6672 10.9691 10.9691 10.9847 10.9847 11.0624 11.0624 11.3128 11.3128 11.6740 11.6740 12.5048 12.5048 12.5880 12.5880 12.7336 12.7336 13.0917 13.0917 13.1767 13.1767 13.4473 13.4473 13.5869 13.5869 14.1624 14.1624 14.3803 14.3803 17.2223 17.2223 18.8060 18.8060 19.0829 19.0829 19.8349 19.8349 k = 0.1885 0.1885-0.0000 ( 1699 PWs) bands (ev): 0.3152 0.3152 6.7940 6.7940 7.0470 7.0470 7.0857 7.0857 7.3423 7.3423 7.3830 7.3830 7.4271 7.4271 8.7850 8.7850 9.5216 9.5216 9.7073 9.7073 10.9615 10.9615 10.9738 10.9738 11.0522 11.0522 11.3322 11.3322 11.6654 11.6654 12.5204 12.5204 12.5982 12.5982 12.7537 12.7537 13.0864 13.0864 13.1663 13.1663 13.4621 13.4621 13.6085 13.6085 14.1407 14.1407 14.3260 14.3260 17.2800 17.2800 18.8021 18.8021 19.0520 19.0520 19.7871 19.7871 k = 0.1803 0.1803-0.0000 ( 1699 PWs) bands (ev): 0.2750 0.2750 6.7889 6.7889 7.0416 7.0416 7.0748 7.0748 7.3385 7.3385 7.3779 7.3779 7.4264 7.4264 8.8770 8.8770 9.5650 9.5650 9.7474 9.7474 10.9409 10.9409 10.9744 10.9744 11.0418 11.0418 11.3509 11.3509 11.6568 11.6568 12.5340 12.5340 12.6096 12.6096 12.7744 12.7744 13.0808 13.0808 13.1556 13.1556 13.4764 13.4764 13.6295 13.6295 14.1172 14.1172 14.2730 14.2730 17.3331 17.3331 18.8015 18.8015 19.0246 19.0246 19.7409 19.7409 k = 0.1721 0.1721-0.0000 ( 1699 PWs) bands (ev): 0.2361 0.2361 6.7825 6.7825 7.0360 7.0360 7.0645 7.0645 7.3351 7.3351 7.3731 7.3731 7.4258 7.4258 8.9701 8.9701 9.6097 9.6097 9.7877 9.7877 10.9206 10.9206 10.9736 10.9736 11.0310 11.0310 11.3688 11.3688 11.6483 11.6483 12.5459 12.5459 12.6220 12.6220 12.7953 12.7953 13.0752 13.0752 13.1449 13.1449 13.4901 13.4901 13.6499 13.6499 14.0923 14.0923 14.2214 14.2214 17.3816 17.3816 18.8041 18.8041 19.0008 19.0008 19.6963 19.6963 k = 0.1639 0.1639-0.0000 ( 1699 PWs) bands (ev): 0.1986 0.1986 6.7747 6.7747 7.0304 7.0304 7.0548 7.0548 7.3322 7.3322 7.3684 7.3684 7.4254 7.4254 9.0640 9.0640 9.6557 9.6557 9.8281 9.8281 10.9010 10.9010 10.9710 10.9710 11.0198 11.0198 11.3858 11.3858 11.6398 11.6398 12.5564 12.5564 12.6350 12.6350 12.8161 12.8161 13.0694 13.0694 13.1345 13.1345 13.5032 13.5032 13.6694 13.6694 14.0659 14.0659 14.1714 14.1714 17.4254 17.4254 18.8098 18.8098 18.9811 18.9811 19.6534 19.6534 k = 0.1557 0.1557-0.0000 ( 1697 PWs) bands (ev): 0.1625 0.1625 6.7656 6.7656 7.0247 7.0247 7.0459 7.0459 7.3298 7.3298 7.3640 7.3640 7.4252 7.4252 9.1585 9.1585 9.7028 9.7028 9.8685 9.8685 10.8821 10.8821 10.9668 10.9668 11.0081 11.0081 11.4020 11.4020 11.6313 11.6313 12.5660 12.5660 12.6478 12.6478 12.8366 12.8366 13.0636 13.0636 13.1246 13.1246 13.5157 13.5157 13.6880 13.6880 14.0382 14.0382 14.1233 14.1233 17.4644 17.4644 18.8183 18.8183 18.9658 18.9658 19.6123 19.6123 k = 0.1475 0.1475-0.0000 ( 1707 PWs) bands (ev): 0.1279 0.1279 6.7554 6.7554 7.0190 7.0190 7.0377 7.0377 7.3277 7.3277 7.3597 7.3597 7.4249 7.4249 9.2534 9.2534 9.7509 9.7509 9.9088 9.9088 10.8638 10.8638 10.9609 10.9609 10.9955 10.9955 11.4171 11.4171 11.6225 11.6225 12.5747 12.5747 12.6597 12.6597 12.8564 12.8564 13.0577 13.0577 13.1152 13.1152 13.5275 13.5275 13.7056 13.7056 14.0096 14.0096 14.0770 14.0770 17.4989 17.4989 18.8292 18.8292 18.9553 18.9553 19.5729 19.5729 k = 0.1393 0.1393-0.0000 ( 1699 PWs) bands (ev): 0.0949 0.0949 6.7445 6.7445 7.0137 7.0137 7.0303 7.0303 7.3261 7.3261 7.3557 7.3557 7.4248 7.4248 9.3484 9.3484 9.7998 9.7998 9.9491 9.9491 10.8467 10.8467 10.9536 10.9536 10.9826 10.9826 11.4315 11.4315 11.6139 11.6139 12.5826 12.5826 12.6701 12.6701 12.8756 12.8756 13.0519 13.0519 13.1067 13.1067 13.5388 13.5388 13.7221 13.7221 13.9805 13.9805 14.0330 14.0330 17.5290 17.5290 18.8420 18.8420 18.9503 18.9503 19.5353 19.5353 k = 0.1311 0.1311-0.0000 ( 1699 PWs) bands (ev): 0.0636 0.0636 6.7329 6.7329 7.0085 7.0085 7.0236 7.0236 7.3248 7.3248 7.3519 7.3519 7.4248 7.4248 9.4430 9.4430 9.8492 9.8492 9.9892 9.9892 10.8304 10.8304 10.9449 10.9449 10.9689 10.9689 11.4448 11.4448 11.6052 11.6052 12.5896 12.5896 12.6786 12.6786 12.8939 12.8939 13.0460 13.0460 13.0990 13.0990 13.5492 13.5492 13.7371 13.7371 13.9511 13.9511 13.9914 13.9914 17.5549 17.5549 18.8557 18.8557 18.9512 18.9512 19.4997 19.4997 k = 0.1230 0.1230-0.0000 ( 1697 PWs) bands (ev): 0.0339 0.0339 6.7209 6.7209 7.0037 7.0037 7.0173 7.0173 7.3237 7.3237 7.3482 7.3482 7.4248 7.4248 9.5371 9.5371 9.8991 9.8991 10.0293 10.0293 10.8150 10.8150 10.9348 10.9348 10.9547 10.9547 11.4570 11.4570 11.5965 11.5965 12.5953 12.5953 12.6847 12.6847 12.9113 12.9113 13.0405 13.0405 13.0924 13.0924 13.5590 13.5590 13.7502 13.7502 13.9221 13.9221 13.9527 13.9527 17.5770 17.5770 18.8696 18.8696 18.9583 18.9583 19.4661 19.4661 k = 0.1148 0.1148-0.0000 ( 1697 PWs) bands (ev): 0.0059 0.0059 6.7086 6.7086 6.9993 6.9993 7.0116 7.0116 7.3229 7.3229 7.3448 7.3448 7.4248 7.4248 9.6302 9.6302 9.9492 9.9492 10.0691 10.0691 10.8005 10.8005 10.9235 10.9235 10.9396 10.9396 11.4681 11.4681 11.5878 11.5878 12.5998 12.5998 12.6884 12.6884 12.9275 12.9275 13.0354 13.0354 13.0866 13.0866 13.5679 13.5679 13.7604 13.7604 13.8940 13.8940 13.9179 13.9179 17.5956 17.5956 18.8835 18.8835 18.9716 18.9716 19.4346 19.4346 k = 0.1066 0.1066-0.0000 ( 1705 PWs) bands (ev): -0.0204 -0.0204 6.6963 6.6963 6.9952 6.9952 7.0062 7.0062 7.3222 7.3222 7.3415 7.3415 7.4248 7.4248 9.7219 9.7219 9.9993 9.9993 10.1085 10.1085 10.7867 10.7867 10.9109 10.9109 10.9236 10.9236 11.4778 11.4778 11.5791 11.5791 12.6028 12.6028 12.6892 12.6892 12.9424 12.9424 13.0310 13.0310 13.0817 13.0817 13.5759 13.5759 13.7660 13.7660 13.8666 13.8666 13.8894 13.8894 17.6109 17.6109 18.8976 18.8976 18.9900 18.9900 19.4052 19.4052 k = 0.0984 0.0984-0.0000 ( 1705 PWs) bands (ev): -0.0449 -0.0449 6.6843 6.6843 6.9915 6.9915 7.0013 7.0013 7.3217 7.3217 7.3385 7.3385 7.4248 7.4248 9.8117 9.8117 10.0491 10.0491 10.1476 10.1476 10.7740 10.7740 10.8972 10.8972 10.9071 10.9071 11.4866 11.4866 11.5707 11.5707 12.6042 12.6042 12.6872 12.6872 12.9561 12.9561 13.0273 13.0273 13.0778 13.0778 13.5830 13.5830 13.7646 13.7646 13.8392 13.8392 13.8710 13.8710 17.6235 17.6235 18.9126 18.9126 19.0123 19.0123 19.3782 19.3782 k = 0.0902 0.0902-0.0000 ( 1701 PWs) bands (ev): -0.0675 -0.0675 6.6727 6.6727 6.9883 6.9883 6.9968 6.9968 7.3213 7.3213 7.3357 7.3357 7.4249 7.4249 9.8991 9.8991 10.0985 10.0985 10.1864 10.1864 10.7623 10.7623 10.8823 10.8823 10.8900 10.8900 11.4941 11.4941 11.5625 11.5625 12.6040 12.6040 12.6824 12.6824 12.9685 12.9685 13.0246 13.0246 13.0747 13.0747 13.5892 13.5892 13.7554 13.7554 13.8123 13.8123 13.8635 13.8635 17.6338 17.6338 18.9288 18.9288 19.0371 19.0371 19.3536 19.3536 k = 0.0820 0.0820-0.0000 ( 1715 PWs) bands (ev): -0.0883 -0.0883 6.6615 6.6615 6.9852 6.9852 6.9925 6.9925 7.3209 7.3209 7.3330 7.3330 7.4248 7.4248 9.9834 9.9834 10.1471 10.1471 10.2246 10.2246 10.7513 10.7513 10.8660 10.8660 10.8722 10.8722 11.5000 11.5000 11.5545 11.5545 12.6022 12.6022 12.6748 12.6748 12.9792 12.9792 13.0226 13.0226 13.0723 13.0723 13.5940 13.5940 13.7407 13.7407 13.7870 13.7870 13.8637 13.8637 17.6419 17.6419 18.9462 18.9462 19.0635 19.0635 19.3317 19.3317 k = 0.0738 0.0738-0.0000 ( 1715 PWs) bands (ev): -0.1072 -0.1072 6.6510 6.6510 6.9827 6.9827 6.9887 6.9887 7.3207 7.3207 7.3306 7.3306 7.4248 7.4248 10.0639 10.0639 10.1948 10.1948 10.2625 10.2625 10.7414 10.7414 10.8480 10.8480 10.8543 10.8543 11.5049 11.5049 11.5469 11.5469 12.5992 12.5992 12.6646 12.6646 12.9886 12.9886 13.0216 13.0216 13.0709 13.0709 13.5975 13.5975 13.7245 13.7245 13.7642 13.7642 13.8680 13.8680 17.6483 17.6483 18.9646 18.9646 19.0907 19.0907 19.3125 19.3125 k = 0.0656 0.0656-0.0000 ( 1715 PWs) bands (ev): -0.1241 -0.1241 6.6415 6.6415 6.9804 6.9804 6.9853 6.9853 7.3206 7.3206 7.3284 7.3284 7.4249 7.4249 10.1397 10.1397 10.2409 10.2409 10.2999 10.2999 10.7325 10.7325 10.8287 10.8287 10.8361 10.8361 11.5086 11.5086 11.5398 11.5398 12.5952 12.5952 12.6523 12.6523 12.9965 12.9965 13.0210 13.0210 13.0702 13.0702 13.5995 13.5995 13.7094 13.7094 13.7438 13.7438 13.8740 13.8740 17.6533 17.6533 18.9832 18.9832 19.1180 19.1180 19.2963 19.2963 k = 0.0574 0.0574-0.0000 ( 1715 PWs) bands (ev): -0.1391 -0.1391 6.6328 6.6328 6.9784 6.9784 6.9823 6.9823 7.3205 7.3205 7.3265 7.3265 7.4249 7.4249 10.2098 10.2098 10.2852 10.2852 10.3369 10.3369 10.7245 10.7245 10.8085 10.8085 10.8176 10.8176 11.5110 11.5110 11.5333 11.5333 12.5904 12.5904 12.6384 12.6384 13.0030 13.0030 13.0209 13.0209 13.0701 13.0701 13.5998 13.5998 13.6966 13.6966 13.7261 13.7261 13.8803 13.8803 17.6571 17.6571 19.0014 19.0014 19.1449 19.1449 19.2833 19.2833 k = 0.0492 0.0492-0.0000 ( 1719 PWs) bands (ev): -0.1522 -0.1522 6.6251 6.6251 6.9767 6.9767 6.9796 6.9796 7.3204 7.3204 7.3249 7.3249 7.4249 7.4249 10.2732 10.2732 10.3270 10.3270 10.3737 10.3737 10.7173 10.7173 10.7874 10.7874 10.7987 10.7987 11.5123 11.5123 11.5273 11.5273 12.5853 12.5853 12.6237 12.6237 13.0083 13.0083 13.0210 13.0210 13.0706 13.0706 13.5983 13.5983 13.6868 13.6868 13.7110 13.7110 13.8862 13.8862 17.6600 17.6600 19.0181 19.0181 19.1707 19.1707 19.2734 19.2734 k = 0.0410 0.0410-0.0000 ( 1725 PWs) bands (ev): -0.1633 -0.1633 6.6184 6.6184 6.9753 6.9753 6.9773 6.9773 7.3203 7.3203 7.3235 7.3235 7.4250 7.4250 10.3289 10.3289 10.3653 10.3653 10.4100 10.4100 10.7108 10.7108 10.7660 10.7660 10.7799 10.7799 11.5125 11.5125 11.5221 11.5221 12.5802 12.5802 12.6088 12.6088 13.0126 13.0126 13.0212 13.0212 13.0715 13.0715 13.5953 13.5953 13.6800 13.6800 13.6983 13.6983 13.8914 13.8914 17.6621 17.6621 19.0325 19.0325 19.1948 19.1948 19.2667 19.2667 k = 0.0328 0.0328-0.0000 ( 1733 PWs) bands (ev): -0.1723 -0.1723 6.6129 6.6129 6.9741 6.9741 6.9754 6.9754 7.3203 7.3203 7.3223 7.3223 7.4249 7.4249 10.3762 10.3762 10.3992 10.3992 10.4450 10.4450 10.7048 10.7048 10.7446 10.7446 10.7618 10.7618 11.5121 11.5121 11.5177 11.5177 12.5756 12.5756 12.5949 12.5949 13.0159 13.0159 13.0214 13.0214 13.0725 13.0725 13.5917 13.5917 13.6756 13.6756 13.6882 13.6882 13.8959 13.8959 17.6636 17.6636 19.0441 19.0441 19.2165 19.2165 19.2628 19.2628 k = 0.0246 0.0246-0.0000 ( 1743 PWs) bands (ev): -0.1795 -0.1795 6.6085 6.6085 6.9732 6.9732 6.9739 6.9739 7.3202 7.3202 7.3213 7.3213 7.4249 7.4249 10.4149 10.4149 10.4280 10.4280 10.4768 10.4768 10.6993 10.6993 10.7241 10.7241 10.7456 10.7456 11.5112 11.5112 11.5140 11.5140 12.5716 12.5716 12.5830 12.5830 13.0184 13.0184 13.0215 13.0215 13.0735 13.0735 13.5879 13.5879 13.6729 13.6729 13.6803 13.6803 13.8995 13.8995 17.6646 17.6646 19.0528 19.0528 19.2348 19.2348 19.2610 19.2610 k = 0.0164 0.0164-0.0000 ( 1743 PWs) bands (ev): -0.1845 -0.1845 6.6054 6.6054 6.9725 6.9725 6.9729 6.9729 7.3202 7.3202 7.3207 7.3207 7.4249 7.4249 10.4445 10.4445 10.4504 10.4504 10.5028 10.5028 10.6940 10.6940 10.7060 10.7060 10.7329 10.7329 11.5103 11.5103 11.5115 11.5115 12.5686 12.5686 12.5739 12.5739 13.0202 13.0202 13.0216 13.0216 13.0743 13.0743 13.5849 13.5849 13.6715 13.6715 13.6749 13.6749 13.9022 13.9022 17.6653 17.6653 19.0585 19.0585 19.2489 19.2489 19.2606 19.2606 k = 0.0082 0.0082-0.0000 ( 1743 PWs) bands (ev): -0.1875 -0.1875 6.6035 6.6035 6.9722 6.9722 6.9723 6.9723 7.3202 7.3202 7.3203 7.3203 7.4249 7.4249 10.4635 10.4635 10.4650 10.4650 10.5203 10.5203 10.6895 10.6895 10.6927 10.6927 10.7252 10.7252 11.5096 11.5096 11.5099 11.5099 12.5667 12.5667 12.5681 12.5681 13.0213 13.0213 13.0216 13.0216 13.0749 13.0749 13.5830 13.5830 13.6709 13.6709 13.6717 13.6717 13.9038 13.9038 17.6656 17.6656 19.0618 19.0618 19.2578 19.2578 19.2607 19.2607 k = 0.0000 0.0000 0.0000 ( 1743 PWs) bands (ev): -0.1886 -0.1886 6.6029 6.6029 6.9720 6.9720 6.9720 6.9720 7.3202 7.3202 7.3202 7.3202 7.4249 7.4249 10.4701 10.4701 10.4701 10.4701 10.5266 10.5266 10.6877 10.6877 10.6877 10.6877 10.7227 10.7227 11.5094 11.5094 11.5094 11.5094 12.5661 12.5661 12.5661 12.5661 13.0216 13.0216 13.0216 13.0216 13.0750 13.0750 13.5823 13.5823 13.6707 13.6707 13.6707 13.6707 13.9043 13.9043 17.6658 17.6658 19.0629 19.0629 19.2608 19.2608 19.2608 19.2608 k = 0.0000 0.0000 0.0000 ( 1743 PWs) bands (ev): -0.1886 -0.1886 6.6029 6.6029 6.9720 6.9720 6.9720 6.9720 7.3202 7.3202 7.3202 7.3202 7.4249 7.4249 10.4701 10.4701 10.4701 10.4701 10.5266 10.5266 10.6877 10.6877 10.6877 10.6877 10.7227 10.7227 11.5094 11.5094 11.5094 11.5094 12.5661 12.5661 12.5661 12.5661 13.0216 13.0216 13.0216 13.0216 13.0750 13.0750 13.5823 13.5823 13.6707 13.6707 13.6707 13.6707 13.9043 13.9043 17.6658 17.6658 19.0629 19.0629 19.2608 19.2608 19.2608 19.2608 k = 0.0067 0.0067 0.0067 ( 1743 PWs) bands (ev): -0.1876 -0.1876 6.6035 6.6035 6.9722 6.9722 6.9723 6.9723 7.3202 7.3202 7.3203 7.3203 7.4249 7.4249 10.4641 10.4641 10.4644 10.4644 10.5203 10.5203 10.6898 10.6898 10.6924 10.6924 10.7252 10.7252 11.5097 11.5097 11.5098 11.5098 12.5672 12.5672 12.5676 12.5676 13.0212 13.0212 13.0216 13.0216 13.0749 13.0749 13.5830 13.5830 13.6708 13.6708 13.6718 13.6718 13.9038 13.9038 17.6656 17.6656 19.0618 19.0618 19.2588 19.2588 19.2597 19.2597 k = 0.0133 0.0133 0.0133 ( 1743 PWs) bands (ev): -0.1845 -0.1845 6.6054 6.6054 6.9725 6.9725 6.9729 6.9729 7.3202 7.3202 7.3207 7.3207 7.4249 7.4249 10.4468 10.4468 10.4484 10.4484 10.5029 10.5029 10.6956 10.6956 10.7039 10.7039 10.7331 10.7331 11.5107 11.5107 11.5111 11.5111 12.5705 12.5705 12.5718 12.5718 13.0201 13.0201 13.0217 13.0217 13.0743 13.0743 13.5849 13.5849 13.6714 13.6714 13.6750 13.6750 13.9022 13.9022 17.6652 17.6652 19.0588 19.0588 19.2528 19.2528 19.2565 19.2565 k = 0.0200 0.0200 0.0200 ( 1743 PWs) bands (ev): -0.1795 -0.1795 6.6085 6.6085 6.9731 6.9731 6.9739 6.9739 7.3201 7.3201 7.3214 7.3214 7.4249 7.4249 10.4196 10.4196 10.4243 10.4243 10.4769 10.4769 10.7039 10.7039 10.7169 10.7169 10.7474 10.7474 11.5123 11.5123 11.5130 11.5130 12.5757 12.5757 12.5787 12.5787 13.0181 13.0181 13.0218 13.0218 13.0735 13.0735 13.5878 13.5878 13.6727 13.6727 13.6806 13.6806 13.8995 13.8995 17.6645 17.6645 19.0538 19.0538 19.2431 19.2431 19.2514 19.2514 k = 0.0267 0.0267 0.0267 ( 1731 PWs) bands (ev): -0.1725 -0.1725 6.6129 6.6129 6.9740 6.9740 6.9755 6.9755 7.3201 7.3201 7.3224 7.3224 7.4249 7.4249 10.3842 10.3842 10.3940 10.3940 10.4441 10.4441 10.7137 10.7137 10.7284 10.7284 10.7678 10.7678 11.5143 11.5143 11.5156 11.5156 12.5826 12.5826 12.5878 12.5878 13.0153 13.0153 13.0221 13.0221 13.0726 13.0726 13.5912 13.5912 13.6755 13.6755 13.6886 13.6886 13.8961 13.8961 17.6634 17.6634 19.0472 19.0472 19.2302 19.2302 19.2448 19.2448 k = 0.0333 0.0333 0.0333 ( 1722 PWs) bands (ev): -0.1634 -0.1634 6.6185 6.6185 6.9750 6.9750 6.9775 6.9775 7.3201 7.3201 7.3237 7.3237 7.4249 7.4249 10.3418 10.3418 10.3584 10.3584 10.4066 10.4066 10.7242 10.7242 10.7387 10.7387 10.7917 10.7917 11.5166 11.5166 11.5184 11.5184 12.5904 12.5904 12.5984 12.5984 13.0115 13.0115 13.0224 13.0224 13.0717 13.0717 13.5941 13.5941 13.6804 13.6804 13.6990 13.6990 13.8918 13.8918 17.6618 17.6618 19.0390 19.0390 19.2147 19.2147 19.2374 19.2374 k = 0.0400 0.0400 0.0400 ( 1722 PWs) bands (ev): -0.1524 -0.1524 6.6253 6.6253 6.9763 6.9763 6.9797 6.9797 7.3201 7.3201 7.3252 7.3252 7.4249 7.4249 10.2934 10.2934 10.3175 10.3175 10.3661 10.3661 10.7350 10.7350 10.7486 10.7486 10.8168 10.8168 11.5188 11.5188 11.5213 11.5213 12.5985 12.5985 12.6099 12.6099 13.0066 13.0066 13.0230 13.0230 13.0709 13.0709 13.5957 13.5957 13.6884 13.6884 13.7119 13.7119 13.8864 13.8864 17.6593 17.6593 19.0295 19.0295 19.1972 19.1972 19.2296 19.2296 k = 0.0467 0.0467 0.0467 ( 1710 PWs) bands (ev): -0.1394 -0.1394 6.6334 6.6334 6.9777 6.9777 6.9825 6.9825 7.3200 7.3200 7.3270 7.3270 7.4249 7.4249 10.2399 10.2399 10.2705 10.2705 10.3247 10.3247 10.7461 10.7461 10.7585 10.7585 10.8422 10.8422 11.5210 11.5210 11.5243 11.5243 12.6065 12.6065 12.6218 12.6218 13.0006 13.0006 13.0240 13.0240 13.0704 13.0704 13.5953 13.5953 13.7006 13.7006 13.7275 13.7275 13.8806 13.8806 17.6559 17.6559 19.0190 19.0190 19.1782 19.1782 19.2223 19.2223 k = 0.0533 0.0533 0.0533 ( 1710 PWs) bands (ev): -0.1245 -0.1245 6.6427 6.6427 6.9793 6.9793 6.9856 6.9856 7.3199 7.3199 7.3289 7.3289 7.4249 7.4249 10.1819 10.1819 10.2176 10.2176 10.2837 10.2837 10.7574 10.7574 10.7687 10.7687 10.8672 10.8672 11.5229 11.5229 11.5269 11.5269 12.6137 12.6137 12.6332 12.6332 12.9933 12.9933 13.0251 13.0251 13.0701 13.0701 13.5921 13.5921 13.7169 13.7169 13.7458 13.7458 13.8739 13.8739 17.6514 17.6514 19.0078 19.0078 19.1583 19.1583 19.2160 19.2160 k = 0.0600 0.0600 0.0600 ( 1710 PWs) bands (ev): -0.1076 -0.1076 6.6531 6.6531 6.9810 6.9810 6.9891 6.9891 7.3199 7.3199 7.3312 7.3312 7.4248 7.4248 10.1201 10.1201 10.1593 10.1593 10.2430 10.2430 10.7690 10.7690 10.7793 10.7793 10.8916 10.8916 11.5244 11.5244 11.5291 11.5291 12.6197 12.6197 12.6437 12.6437 12.9850 12.9850 13.0267 13.0267 13.0701 13.0701 13.5864 13.5864 13.7374 13.7374 13.7668 13.7668 13.8669 13.8669 17.6454 17.6454 18.9960 18.9960 19.1379 19.1379 19.2116 19.2116 k = 0.0667 0.0667 0.0667 ( 1710 PWs) bands (ev): -0.0888 -0.0888 6.6647 6.6647 6.9830 6.9830 6.9929 6.9929 7.3198 7.3198 7.3336 7.3336 7.4247 7.4247 10.0550 10.0550 10.0966 10.0966 10.2023 10.2023 10.7810 10.7810 10.7903 10.7903 10.9148 10.9148 11.5256 11.5256 11.5311 11.5311 12.6242 12.6242 12.6528 12.6528 12.9753 12.9753 13.0285 13.0285 13.0703 13.0703 13.5784 13.5784 13.7619 13.7619 13.7907 13.7907 13.8598 13.8598 17.6379 17.6379 18.9838 18.9838 19.1174 19.1174 19.2095 19.2095 k = 0.0733 0.0733 0.0733 ( 1704 PWs) bands (ev): -0.0680 -0.0680 6.6775 6.6775 6.9849 6.9849 6.9972 6.9972 7.3197 7.3197 7.3364 7.3364 7.4247 7.4247 9.9871 9.9871 10.0305 10.0305 10.1617 10.1617 10.7935 10.7935 10.8021 10.8021 10.9371 10.9371 11.5263 11.5263 11.5325 11.5325 12.6269 12.6269 12.6602 12.6602 12.9648 12.9648 13.0307 13.0307 13.0708 13.0708 13.5681 13.5681 13.7898 13.7898 13.8174 13.8174 13.8525 13.8525 17.6285 17.6285 18.9715 18.9715 19.0971 19.0971 19.2106 19.2106 k = 0.0800 0.0800 0.0800 ( 1704 PWs) bands (ev): -0.0453 -0.0453 6.6914 6.6914 6.9870 6.9870 7.0018 7.0018 7.3196 7.3196 7.3394 7.3394 7.4246 7.4246 9.9168 9.9168 9.9617 9.9617 10.1209 10.1209 10.8064 10.8064 10.8143 10.8143 10.9579 10.9579 11.5265 11.5265 11.5334 11.5334 12.6276 12.6276 12.6656 12.6656 12.9535 12.9535 13.0331 13.0331 13.0713 13.0713 13.5557 13.5557 13.8201 13.8201 13.8457 13.8457 13.8466 13.8466 17.6171 17.6171 18.9590 18.9590 19.0771 19.0771 19.2153 19.2153 k = 0.0867 0.0867 0.0867 ( 1692 PWs) bands (ev): -0.0208 -0.0208 6.7066 6.7066 6.9892 6.9892 7.0069 7.0069 7.3196 7.3196 7.3427 7.3427 7.4245 7.4245 9.8447 9.8447 9.8908 9.8908 10.0798 10.0798 10.8199 10.8199 10.8273 10.8273 10.9774 10.9774 11.5264 11.5264 11.5339 11.5339 12.6266 12.6266 12.6689 12.6689 12.9415 12.9415 13.0357 13.0357 13.0717 13.0717 13.5414 13.5414 13.8352 13.8352 13.8572 13.8572 13.8784 13.8784 17.6037 17.6037 18.9464 18.9464 19.0577 19.0577 19.2242 19.2242 k = 0.0933 0.0933 0.0933 ( 1692 PWs) bands (ev): 0.0056 0.0056 6.7227 6.7227 6.9913 6.9913 7.0121 7.0121 7.3194 7.3194 7.3460 7.3460 7.4244 7.4244 9.7710 9.7710 9.8181 9.8181 10.0383 10.0383 10.8338 10.8338 10.8407 10.8407 10.9950 10.9950 11.5256 11.5256 11.5338 11.5338 12.6236 12.6236 12.6703 12.6703 12.9287 12.9287 13.0382 13.0382 13.0720 13.0720 13.5251 13.5251 13.8290 13.8290 13.8924 13.8924 13.9123 13.9123 17.5881 17.5881 18.9338 18.9338 19.0386 19.0386 19.2377 19.2377 k = 0.1000 0.1000 0.1000 ( 1701 PWs) bands (ev): 0.0337 0.0337 6.7399 6.7399 6.9933 6.9933 7.0176 7.0176 7.3191 7.3191 7.3495 7.3495 7.4242 7.4242 9.6961 9.6961 9.7441 9.7441 9.9966 9.9966 10.8481 10.8481 10.8546 10.8546 11.0109 11.0109 11.5244 11.5244 11.5331 11.5331 12.6189 12.6189 12.6696 12.6696 12.9154 12.9154 13.0405 13.0405 13.0720 13.0720 13.5069 13.5069 13.8222 13.8222 13.9303 13.9303 13.9480 13.9480 17.5702 17.5702 18.9211 18.9211 19.0200 19.0201 19.2560 19.2560 k = 0.1067 0.1067 0.1067 ( 1701 PWs) bands (ev): 0.0637 0.0637 6.7581 6.7581 6.9953 6.9953 7.0235 7.0235 7.3187 7.3187 7.3533 7.3533 7.4242 7.4242 9.6204 9.6204 9.6693 9.6693 9.9545 9.9545 10.8631 10.8631 10.8693 10.8693 11.0249 11.0249 11.5227 11.5227 11.5321 11.5321 12.6128 12.6128 12.6673 12.6673 12.9017 12.9017 13.0429 13.0429 13.0718 13.0718 13.4870 13.4870 13.8156 13.8156 13.9700 13.9700 13.9854 13.9854 17.5502 17.5502 18.9082 18.9082 19.0018 19.0018 19.2793 19.2793 k = 0.1133 0.1133 0.1133 ( 1701 PWs) bands (ev): 0.0954 0.0954 6.7774 6.7774 6.9971 6.9971 7.0296 7.0296 7.3181 7.3181 7.3572 7.3572 7.4241 7.4241 9.5441 9.5441 9.5938 9.5938 9.9122 9.9122 10.8787 10.8787 10.8848 10.8848 11.0369 11.0369 11.5207 11.5207 11.5305 11.5305 12.6054 12.6054 12.6634 12.6634 12.8877 12.8877 13.0451 13.0451 13.0714 13.0714 13.4653 13.4653 13.8092 13.8092 14.0107 14.0107 14.0241 14.0241 17.5281 17.5281 18.8952 18.8952 18.9836 18.9836 19.3078 19.3078 k = 0.1200 0.1200 0.1200 ( 1704 PWs) bands (ev): 0.1288 0.1288 6.7975 6.7975 6.9988 6.9988 7.0360 7.0360 7.3172 7.3172 7.3613 7.3613 7.4242 7.4242 9.4675 9.4675 9.5181 9.5181 9.8696 9.8696 10.8949 10.8949 10.9008 10.9008 11.0469 11.0469 11.5182 11.5182 11.5286 11.5286 12.5968 12.5968 12.6582 12.6582 12.8736 12.8736 13.0471 13.0471 13.0707 13.0707 13.4421 13.4421 13.8032 13.8032 14.0522 14.0522 14.0636 14.0636 17.5041 17.5041 18.8816 18.8816 18.9654 18.9654 19.3415 19.3415 k = 0.1267 0.1267 0.1267 ( 1692 PWs) bands (ev): 0.1639 0.1639 6.8186 6.8186 7.0004 7.0004 7.0427 7.0427 7.3162 7.3162 7.3656 7.3656 7.4245 7.4245 9.3908 9.3908 9.4424 9.4424 9.8269 9.8269 10.9119 10.9119 10.9176 10.9176 11.0549 11.0549 11.5156 11.5156 11.5263 11.5263 12.5875 12.5875 12.6520 12.6520 12.8596 12.8596 13.0490 13.0490 13.0699 13.0699 13.4174 13.4174 13.7975 13.7975 14.0941 14.0941 14.1037 14.1037 17.4785 17.4785 18.8675 18.8675 18.9468 18.9468 19.3803 19.3803 k = 0.1333 0.1333 0.1333 ( 1692 PWs) bands (ev): 0.2007 0.2007 6.8406 6.8406 7.0015 7.0015 7.0497 7.0497 7.3145 7.3145 7.3699 7.3699 7.4249 7.4249 9.3144 9.3144 9.3669 9.3669 9.7838 9.7838 10.9291 10.9291 10.9348 10.9348 11.0607 11.0607 11.5128 11.5128 11.5238 11.5238 12.5773 12.5773 12.6446 12.6446 12.8456 12.8456 13.0507 13.0507 13.0687 13.0687 13.3913 13.3913 13.7921 13.7921 14.1360 14.1360 14.1440 14.1440 17.4514 17.4514 18.8525 18.8525 18.9274 18.9274 19.4243 19.4243 k = 0.1400 0.1400 0.1400 ( 1692 PWs) bands (ev): 0.2391 0.2391 6.8633 6.8633 7.0024 7.0024 7.0568 7.0568 7.3124 7.3124 7.3744 7.3744 7.4255 7.4255 9.2383 9.2383 9.2920 9.2920 9.7405 9.7405 10.9468 10.9468 10.9525 10.9525 11.0643 11.0643 11.5098 11.5098 11.5210 11.5210 12.5665 12.5665 12.6364 12.6364 12.8317 12.8317 13.0523 13.0523 13.0674 13.0674 13.3640 13.3640 13.7870 13.7870 14.1775 14.1775 14.1842 14.1842 17.4232 17.4232 18.8362 18.8362 18.9069 18.9069 19.4732 19.4732 k = 0.1467 0.1467 0.1467 ( 1686 PWs) bands (ev): 0.2791 0.2791 6.8869 6.8869 7.0029 7.0029 7.0643 7.0643 7.3096 7.3096 7.3791 7.3791 7.4265 7.4265 9.1628 9.1628 9.2177 9.2177 9.6971 9.6971 10.9649 10.9649 10.9705 10.9705 11.0659 11.0659 11.5069 11.5069 11.5182 11.5182 12.5554 12.5554 12.6276 12.6276 12.8182 12.8182 13.0538 13.0538 13.0658 13.0658 13.3356 13.3356 13.7823 13.7823 14.2185 14.2185 14.2241 14.2241 17.3940 17.3940 18.8183 18.8183 18.8850 18.8850 19.5268 19.5268 k = 0.1533 0.1533 0.1533 ( 1686 PWs) bands (ev): 0.3207 0.3207 6.9110 6.9110 7.0028 7.0028 7.0719 7.0719 7.3059 7.3059 7.3838 7.3838 7.4278 7.4278 9.0882 9.0882 9.1444 9.1444 9.6536 9.6536 10.9834 10.9834 10.9888 10.9888 11.0656 11.0656 11.5039 11.5039 11.5151 11.5151 12.5439 12.5439 12.6182 12.6182 12.8050 12.8050 13.0554 13.0554 13.0641 13.0641 13.3063 13.3063 13.7777 13.7777 14.2586 14.2586 14.2633 14.2633 17.3641 17.3641 18.7985 18.7985 18.8611 18.8611 19.5851 19.5851 k = 0.1600 0.1600 0.1600 ( 1683 PWs) bands (ev): 0.3637 0.3637 6.9357 6.9357 7.0022 7.0022 7.0797 7.0797 7.3013 7.3013 7.3885 7.3885 7.4295 7.4295 9.0145 9.0145 9.0722 9.0722 9.6101 9.6101 11.0022 11.0022 11.0069 11.0069 11.0636 11.0636 11.5011 11.5011 11.5121 11.5121 12.5324 12.5324 12.6085 12.6085 12.7924 12.7924 13.0570 13.0570 13.0622 13.0622 13.2763 13.2763 13.7734 13.7734 14.2977 14.2977 14.3016 14.3016 17.3337 17.3337 18.7763 18.7763 18.8349 18.8349 19.6477 19.6477 k = 0.1667 0.1667 0.1667 ( 1683 PWs) bands (ev): 0.4081 0.4081 6.9608 6.9608 7.0009 7.0009 7.0876 7.0876 7.2955 7.2955 7.3933 7.3933 7.4317 7.4317 8.9420 8.9420 9.0013 9.0013 9.5666 9.5666 11.0213 11.0213 11.0236 11.0236 11.0614 11.0614 11.4985 11.4985 11.5092 11.5092 12.5208 12.5208 12.5983 12.5983 12.7802 12.7802 13.0588 13.0588 13.0601 13.0601 13.2458 13.2458 13.7693 13.7693 14.3355 14.3355 14.3388 14.3388 17.3032 17.3032 18.7514 18.7514 18.8059 18.8059 19.7144 19.7144 k = 0.1733 0.1733 0.1733 ( 1683 PWs) bands (ev): 0.4540 0.4540 6.9863 6.9863 6.9990 6.9990 7.0958 7.0958 7.2886 7.2886 7.3982 7.3982 7.4343 7.4343 8.8709 8.8709 8.9320 8.9320 9.5232 9.5232 11.0339 11.0339 11.0406 11.0406 11.0639 11.0639 11.4964 11.4964 11.5065 11.5065 12.5093 12.5093 12.5879 12.5879 12.7686 12.7686 13.0574 13.0574 13.0609 13.0609 13.2153 13.2153 13.7654 13.7654 14.3720 14.3720 14.3748 14.3748 17.2726 17.2726 18.7233 18.7233 18.7736 18.7736 19.7849 19.7849 k = 0.1800 0.1800 0.1800 ( 1692 PWs) bands (ev): 0.5012 0.5012 6.9961 6.9961 7.0119 7.0119 7.1040 7.1040 7.2804 7.2804 7.4030 7.4030 7.4374 7.4374 8.8013 8.8013 8.8644 8.8644 9.4798 9.4798 11.0321 11.0321 11.0598 11.0598 11.0767 11.0767 11.4947 11.4947 11.5040 11.5040 12.4978 12.4978 12.5772 12.5772 12.7573 12.7573 13.0539 13.0539 13.0632 13.0632 13.1852 13.1852 13.7615 13.7615 14.4068 14.4068 14.4093 14.4093 17.2423 17.2423 18.6916 18.6916 18.7378 18.7378 19.8591 19.8591 k = 0.1867 0.1867 0.1867 ( 1692 PWs) bands (ev): 0.5497 0.5497 6.9924 6.9924 7.0375 7.0375 7.1126 7.1126 7.2709 7.2709 7.4078 7.4078 7.4410 7.4410 8.7333 8.7333 8.7986 8.7986 9.4369 9.4369 11.0236 11.0236 11.0793 11.0793 11.0947 11.0947 11.4936 11.4936 11.5021 11.5021 12.4866 12.4866 12.5665 12.5665 12.7470 12.7470 13.0485 13.0485 13.0658 13.0658 13.1567 13.1567 13.7578 13.7578 14.4401 14.4401 14.4424 14.4424 17.2124 17.2124 18.6560 18.6560 18.6981 18.6981 19.9365 19.9365 k = 0.1933 0.1933 0.1933 ( 1686 PWs) bands (ev): 0.5994 0.5994 6.9877 6.9877 7.0626 7.0626 7.1216 7.1216 7.2600 7.2600 7.4126 7.4126 7.4450 7.4450 8.6673 8.6673 8.7350 8.7350 9.3944 9.3944 11.0123 11.0123 11.0987 11.0987 11.1142 11.1142 11.4935 11.4935 11.5009 11.5009 12.4758 12.4758 12.5558 12.5558 12.7373 12.7373 13.0396 13.0396 13.0690 13.0690 13.1318 13.1318 13.7543 13.7543 14.4715 14.4715 14.4737 14.4737 17.1830 17.1830 18.6163 18.6163 18.6541 18.6541 20.0169 20.0169 k = 0.2000 0.2000 0.2000 ( 1692 PWs) bands (ev): 0.6504 0.6504 6.9819 6.9819 7.0865 7.0865 7.1313 7.1313 7.2477 7.2477 7.4173 7.4173 7.4494 7.4494 8.6032 8.6032 8.6734 8.6734 9.3525 9.3525 10.9992 10.9992 11.1177 11.1177 11.1340 11.1340 11.4944 11.4944 11.5005 11.5005 12.4650 12.4650 12.5448 12.5448 12.7281 12.7281 13.0246 13.0246 13.0724 13.0724 13.1128 13.1128 13.7510 13.7510 14.5010 14.5010 14.5033 14.5033 17.1542 17.1542 18.5723 18.5723 18.6058 18.6058 20.0999 20.0999 k = 0.2067 0.2067 0.2067 ( 1692 PWs) bands (ev): 0.7024 0.7024 6.9748 6.9748 7.1078 7.1078 7.1429 7.1429 7.2342 7.2342 7.4220 7.4220 7.4541 7.4541 8.5413 8.5413 8.6143 8.6143 9.3114 9.3114 10.9848 10.9848 11.1366 11.1366 11.1539 11.1539 11.4964 11.4964 11.5011 11.5011 12.4545 12.4545 12.5338 12.5338 12.7197 12.7197 13.0025 13.0025 13.0764 13.0764 13.1013 13.1013 13.7477 13.7477 14.5285 14.5285 14.5309 14.5309 17.1263 17.1263 18.5237 18.5237 18.5529 18.5529 20.1851 20.1851 k = 0.2133 0.2133 0.2133 ( 1698 PWs) bands (ev): 0.7556 0.7556 6.9665 6.9665 7.1238 7.1238 7.1581 7.1581 7.2201 7.2201 7.4265 7.4265 7.4590 7.4590 8.4818 8.4818 8.5577 8.5577 9.2712 9.2712 10.9694 10.9694 11.1551 11.1551 11.1736 11.1736 11.4998 11.4998 11.5029 11.5029 12.4440 12.4440 12.5226 12.5226 12.7116 12.7116 12.9750 12.9750 13.0809 13.0809 13.0956 13.0956 13.7445 13.7445 14.5541 14.5541 14.5566 14.5566 17.0991 17.0991 18.4706 18.4706 18.4955 18.4955 20.2720 20.2720 k = 0.2200 0.2200 0.2200 ( 1695 PWs) bands (ev): 0.8098 0.8098 6.9568 6.9568 7.1330 7.1330 7.1765 7.1765 7.2071 7.2071 7.4310 7.4310 7.4641 7.4641 8.4247 8.4247 8.5037 8.5037 9.2323 9.2323 10.9534 10.9534 11.1733 11.1733 11.1932 11.1932 11.5046 11.5046 11.5060 11.5060 12.4340 12.4340 12.5116 12.5116 12.7043 12.7043 12.9441 12.9441 13.0859 13.0859 13.0936 13.0936 13.7414 13.7414 14.5775 14.5775 14.5804 14.5804 17.0730 17.0730 18.4129 18.4129 18.4336 18.4336 20.3600 20.3600 k = 0.2267 0.2267 0.2267 ( 1695 PWs) bands (ev): 0.8649 0.8649 6.9456 6.9456 7.1349 7.1349 7.1877 7.1877 7.2055 7.2055 7.4353 7.4353 7.4694 7.4694 8.3703 8.3703 8.4524 8.4524 9.1948 9.1948 10.9369 10.9369 11.1909 11.1909 11.2123 11.2123 11.5107 11.5107 11.5109 11.5109 12.4242 12.4242 12.5006 12.5006 12.6976 12.6976 12.9116 12.9116 13.0915 13.0915 13.0939 13.0939 13.7385 13.7385 14.5989 14.5989 14.6021 14.6021 17.0477 17.0477 18.3509 18.3509 18.3674 18.3674 20.4484 20.4484 k = 0.2333 0.2333 0.2333 ( 1689 PWs) bands (ev): 0.9210 0.9210 6.9329 6.9329 7.1274 7.1274 7.1856 7.1856 7.2234 7.2234 7.4395 7.4395 7.4749 7.4749 8.3186 8.3186 8.4039 8.4039 9.1591 9.1591 10.9204 10.9204 11.2081 11.2081 11.2309 11.2309 11.5171 11.5171 11.5190 11.5190 12.4147 12.4147 12.4897 12.4897 12.6913 12.6913 12.8782 12.8782 13.0958 13.0958 13.0977 13.0977 13.7355 13.7355 14.6181 14.6181 14.6216 14.6216 17.0236 17.0236 18.2846 18.2846 18.2970 18.2970 20.5363 20.5363 k = 0.2400 0.2400 0.2400 ( 1683 PWs) bands (ev): 0.9778 0.9778 6.9185 6.9185 7.1109 7.1109 7.1866 7.1866 7.2432 7.2432 7.4434 7.4434 7.4805 7.4805 8.2698 8.2698 8.3583 8.3583 9.1253 9.1253 10.9042 10.9042 11.2247 11.2247 11.2489 11.2489 11.5252 11.5252 11.5287 11.5287 12.4056 12.4056 12.4793 12.4793 12.6855 12.6855 12.8444 12.8444 13.0989 13.0989 13.1045 13.1045 13.7327 13.7327 14.6351 14.6351 14.6391 14.6391 17.0004 17.0004 18.2145 18.2145 18.2227 18.2227 20.6226 20.6226 k = 0.2467 0.2467 0.2467 ( 1677 PWs) bands (ev): 1.0355 1.0355 6.9025 6.9025 7.0889 7.0889 7.1903 7.1903 7.2620 7.2620 7.4472 7.4472 7.4864 7.4864 8.2238 8.2238 8.3154 8.3154 9.0938 9.0938 10.8885 10.8885 11.2410 11.2410 11.2663 11.2663 11.5352 11.5352 11.5400 11.5400 12.3965 12.3965 12.4686 12.4686 12.6800 12.6800 12.8107 12.8107 13.1029 13.1029 13.1117 13.1117 13.7299 13.7299 14.6499 14.6499 14.6543 14.6543 16.9783 16.9783 18.1408 18.1408 18.1451 18.1451 20.7058 20.7058 k = 0.2533 0.2533 0.2533 ( 1677 PWs) bands (ev): 1.0938 1.0938 6.8848 6.8848 7.0634 7.0634 7.1944 7.1944 7.2789 7.2789 7.4507 7.4507 7.4926 7.4926 8.1808 8.1808 8.2753 8.2753 9.0648 9.0648 10.8737 10.8737 11.2568 11.2568 11.2832 11.2832 11.5469 11.5469 11.5528 11.5528 12.3875 12.3875 12.4580 12.4580 12.6744 12.6744 12.7772 12.7772 13.1077 13.1077 13.1195 13.1195 13.7272 13.7272 14.6622 14.6622 14.6672 14.6672 16.9572 16.9572 18.0639 18.0639 18.0643 18.0643 20.7841 20.7841 k = 0.2600 0.2600 0.2600 ( 1689 PWs) bands (ev): 1.1527 1.1527 6.8654 6.8654 7.0354 7.0354 7.1980 7.1980 7.2937 7.2937 7.4539 7.4539 7.4991 7.4991 8.1406 8.1406 8.2379 8.2379 9.0387 9.0387 10.8601 10.8601 11.2722 11.2722 11.2993 11.2993 11.5603 11.5603 11.5670 11.5670 12.3784 12.3784 12.4474 12.4474 12.6684 12.6684 12.7447 12.7447 13.1132 13.1132 13.1276 13.1276 13.7245 13.7245 14.6721 14.6721 14.6777 14.6777 16.9371 16.9371 17.9809 17.9809 17.9842 17.9842 20.8549 20.8549 k = 0.2667 0.2667 0.2667 ( 1688 PWs) bands (ev): 1.2121 1.2121 6.8443 6.8443 7.0055 7.0055 7.2005 7.2005 7.3062 7.3062 7.4569 7.4569 7.5065 7.5065 8.1035 8.1035 8.2031 8.2031 9.0157 9.0157 10.8481 10.8481 11.2878 11.2878 11.3154 11.3154 11.5755 11.5755 11.5827 11.5827 12.3698 12.3698 12.4372 12.4372 12.6609 12.6609 12.7145 12.7145 13.1194 13.1194 13.1363 13.1363 13.7219 13.7219 14.6797 14.6797 14.6858 14.6858 16.9180 16.9180 17.8954 17.8954 17.9023 17.9023 20.9150 20.9150 k = 0.2733 0.2733 0.2733 ( 1688 PWs) bands (ev): 1.2721 1.2721 6.8217 6.8217 6.9741 6.9741 7.2009 7.2009 7.3163 7.3163 7.4597 7.4597 7.5147 7.5147 8.0694 8.0694 8.1710 8.1710 8.9959 8.9959 10.8379 10.8379 11.3037 11.3037 11.3314 11.3314 11.5922 11.5922 11.5995 11.5995 12.3613 12.3613 12.4273 12.4273 12.6479 12.6479 12.6903 12.6903 13.1261 13.1261 13.1453 13.1453 13.7194 13.7194 14.6848 14.6848 14.6915 14.6915 16.8998 16.8998 17.8083 17.8083 17.8187 17.8187 20.9600 20.9600 k = 0.2800 0.2800 0.2800 ( 1688 PWs) bands (ev): 1.3324 1.3324 6.7977 6.7977 6.9413 6.9413 7.1986 7.1986 7.3244 7.3244 7.4622 7.4622 7.5237 7.5237 8.0381 8.0381 8.1412 8.1412 8.9796 8.9796 10.8299 10.8299 11.3198 11.3198 11.3473 11.3473 11.6102 11.6102 11.6173 11.6173 12.3529 12.3529 12.4176 12.4176 12.6254 12.6254 12.6764 12.6764 13.1335 13.1335 13.1548 13.1548 13.7169 13.7169 14.6873 14.6873 14.6947 14.6947 16.8825 16.8825 17.7200 17.7200 17.7337 17.7337 20.9851 20.9851 k = 0.2867 0.2867 0.2867 ( 1688 PWs) bands (ev): 1.3931 1.3931 6.7722 6.7722 6.9075 6.9075 7.1927 7.1927 7.3309 7.3309 7.4644 7.4644 7.5337 7.5337 8.0095 8.0095 8.1138 8.1138 8.9667 8.9667 10.8245 10.8245 11.3364 11.3364 11.3636 11.3636 11.6293 11.6293 11.6359 11.6359 12.3448 12.3448 12.4083 12.4083 12.5968 12.5968 12.6692 12.6692 13.1414 13.1414 13.1647 13.1647 13.7145 13.7145 14.6872 14.6872 14.6952 14.6952 16.8662 16.8662 17.6311 17.6311 17.6480 17.6480 20.9846 20.9846 k = 0.2933 0.2933 0.2933 ( 1688 PWs) bands (ev): 1.4540 1.4540 6.7456 6.7456 6.8729 6.8729 7.1827 7.1827 7.3366 7.3366 7.4664 7.4664 7.5445 7.5445 7.9835 7.9835 8.0884 8.0884 8.9573 8.9573 10.8218 10.8218 11.3537 11.3537 11.3803 11.3803 11.6492 11.6492 11.6550 11.6550 12.3368 12.3368 12.3993 12.3993 12.5664 12.5664 12.6648 12.6648 13.1497 13.1497 13.1749 13.1749 13.7121 13.7121 14.6844 14.6844 14.6931 14.6931 16.8506 16.8506 17.5420 17.5420 17.5620 17.5620 20.9542 20.9542 k = 0.3000 0.3000 0.3000 ( 1688 PWs) bands (ev): 1.5151 1.5151 6.7179 6.7179 6.8376 6.8376 7.1680 7.1680 7.3418 7.3418 7.4681 7.4681 7.5559 7.5559 7.9601 7.9601 8.0651 8.0651 8.9512 8.9512 10.8222 10.8222 11.3718 11.3718 11.3976 11.3976 11.6699 11.6699 11.6746 11.6746 12.3291 12.3291 12.3907 12.3907 12.5357 12.5357 12.6614 12.6614 13.1584 13.1584 13.1854 13.1854 13.7098 13.7098 14.6788 14.6788 14.6881 14.6881 16.8357 16.8357 17.4533 17.4533 17.4762 17.4762 20.8915 20.8915 k = 0.3067 0.3067 0.3067 ( 1688 PWs) bands (ev): 1.5763 1.5763 6.6894 6.6894 6.8020 6.8020 7.1484 7.1484 7.3472 7.3472 7.4695 7.4695 7.5677 7.5677 7.9389 7.9389 8.0436 8.0436 8.9482 8.9482 10.8261 10.8261 11.3909 11.3909 11.4157 11.4157 11.6912 11.6912 11.6944 11.6944 12.3216 12.3216 12.3827 12.3827 12.5052 12.5052 12.6588 12.6588 13.1674 13.1674 13.1960 13.1960 13.7075 13.7075 14.6704 14.6704 14.6803 14.6803 16.8215 16.8215 17.3654 17.3654 17.3911 17.3911 20.7975 20.7975 k = 0.3133 0.3133 0.3133 ( 1694 PWs) bands (ev): 1.6374 1.6374 6.6601 6.6601 6.7660 6.7660 7.1241 7.1241 7.3527 7.3527 7.4707 7.4707 7.5797 7.5797 7.9198 7.9198 8.0237 8.0237 8.9480 8.9480 10.8336 10.8336 11.4111 11.4111 11.4347 11.4347 11.7127 11.7127 11.7144 11.7144 12.3144 12.3144 12.3751 12.3751 12.4749 12.4749 12.6565 12.6565 13.1767 13.1767 13.2068 13.2068 13.7053 13.7053 14.6589 14.6589 14.6695 14.6695 16.8079 16.8079 17.2788 17.2788 17.3072 17.3072 20.6762 20.6762 k = 0.3200 0.3200 0.3200 ( 1694 PWs) bands (ev): 1.6984 1.6984 6.6304 6.6304 6.7301 6.7301 7.0953 7.0953 7.3587 7.3587 7.4717 7.4717 7.5919 7.5919 7.9028 7.9028 8.0054 8.0054 8.9502 8.9502 10.8450 10.8450 11.4324 11.4324 11.4546 11.4546 11.7342 11.7342 11.7345 11.7345 12.3076 12.3076 12.3681 12.3681 12.4455 12.4455 12.6544 12.6544 13.1863 13.1863 13.2178 13.2178 13.7032 13.7032 14.6444 14.6444 14.6556 14.6556 16.7947 16.7947 17.1939 17.1939 17.2250 17.2250 20.5329 20.5329 k = 0.3267 0.3267 0.3267 ( 1703 PWs) bands (ev): 1.7592 1.7592 6.6003 6.6003 6.6943 6.6943 7.0625 7.0625 7.3648 7.3648 7.4724 7.4724 7.6040 7.6040 7.8875 7.8875 7.9884 7.9884 8.9545 8.9545 10.8605 10.8605 11.4548 11.4548 11.4755 11.4755 11.7538 11.7538 11.7562 11.7562 12.3014 12.3014 12.3619 12.3619 12.4166 12.4166 12.6525 12.6525 13.1959 13.1959 13.2287 13.2287 13.7010 13.7010 14.6267 14.6267 14.6385 14.6385 16.7818 16.7818 17.1111 17.1111 17.1448 17.1448 20.3731 20.3731 k = 0.3333 0.3333 0.3333 ( 1703 PWs) bands (ev): 1.8197 1.8197 6.5701 6.5701 6.6589 6.6589 7.0261 7.0261 7.3712 7.3712 7.4730 7.4730 7.6160 7.6160 7.8738 7.8738 7.9728 7.9728 8.9605 8.9605 10.8804 10.8804 11.4786 11.4786 11.4976 11.4976 11.7732 11.7732 11.7779 11.7779 12.2955 12.2955 12.3564 12.3564 12.3887 12.3887 12.6509 12.6509 13.2058 13.2058 13.2397 13.2397 13.6990 13.6990 14.6059 14.6059 14.6182 14.6182 16.7691 16.7691 17.0309 17.0309 17.0672 17.0672 20.2018 20.2018 k = 0.3400 0.3400 0.3400 ( 1703 PWs) bands (ev): 1.8798 1.8798 6.5400 6.5400 6.6239 6.6239 6.9867 6.9867 7.3776 7.3776 7.4733 7.4733 7.6278 7.6278 7.8616 7.8616 7.9584 7.9584 8.9678 8.9678 10.9048 10.9048 11.5036 11.5036 11.5208 11.5208 11.7921 11.7921 11.7994 11.7994 12.2903 12.2903 12.3517 12.3517 12.3618 12.3618 12.6494 12.6494 13.2156 13.2156 13.2506 13.2506 13.6970 13.6970 14.5818 14.5818 14.5946 14.5946 16.7564 16.7564 16.9536 16.9536 16.9926 16.9926 20.0228 20.0228 k = 0.3467 0.3467 0.3467 ( 1706 PWs) bands (ev): 1.9394 1.9394 6.5101 6.5101 6.5895 6.5895 6.9446 6.9446 7.3841 7.3841 7.4735 7.4735 7.6394 7.6394 7.8507 7.8507 7.9451 7.9451 8.9759 8.9759 10.9337 10.9337 11.5299 11.5299 11.5450 11.5450 11.8104 11.8104 11.8205 11.8205 12.2858 12.2858 12.3358 12.3358 12.3479 12.3479 12.6479 12.6479 13.2254 13.2254 13.2612 13.2612 13.6951 13.6951 14.5545 14.5545 14.5677 14.5677 16.7433 16.7433 16.8796 16.8796 16.9214 16.9214 19.8392 19.8392 k = 0.3533 0.3533 0.3533 ( 1694 PWs) bands (ev): 1.9984 1.9984 6.4806 6.4806 6.5560 6.5560 6.9005 6.9005 7.3906 7.3906 7.4736 7.4736 7.6507 7.6507 7.8411 7.8411 7.9329 7.9329 8.9845 8.9845 10.9672 10.9672 11.5574 11.5574 11.5704 11.5704 11.8282 11.8282 11.8411 11.8411 12.2821 12.2821 12.3113 12.3113 12.3451 12.3451 12.6465 12.6465 13.2352 13.2352 13.2719 13.2719 13.6934 13.6934 14.5238 14.5238 14.5374 14.5374 16.7291 16.7291 16.8091 16.8091 16.8547 16.8547 19.6533 19.6533 k = 0.3600 0.3600 0.3600 ( 1694 PWs) bands (ev): 2.0566 2.0566 6.4516 6.4516 6.5232 6.5232 6.8546 6.8546 7.3969 7.3969 7.4735 7.4735 7.6616 7.6616 7.8325 7.8325 7.9215 7.9215 8.9933 8.9933 11.0051 11.0051 11.5860 11.5860 11.5965 11.5965 11.8452 11.8452 11.8611 11.8611 12.2789 12.2789 12.2879 12.2879 12.3434 12.3434 12.6452 12.6452 13.2449 13.2449 13.2822 13.2822 13.6916 13.6916 14.4900 14.4900 14.5038 14.5038 16.7121 16.7121 16.7422 16.7422 16.7940 16.7940 19.4671 19.4671 k = 0.3667 0.3667 0.3667 ( 1685 PWs) bands (ev): 2.1139 2.1139 6.4233 6.4233 6.4914 6.4914 6.8076 6.8076 7.4031 7.4031 7.4733 7.4733 7.6721 7.6721 7.8249 7.8249 7.9111 7.9111 9.0020 9.0020 11.0476 11.0476 11.6156 11.6156 11.6235 11.6235 11.8615 11.8615 11.8803 11.8803 12.2641 12.2641 12.2789 12.2789 12.3429 12.3429 12.6438 12.6438 13.2544 13.2544 13.2923 13.2923 13.6898 13.6898 14.4529 14.4529 14.4671 14.4671 16.6794 16.6794 16.6869 16.6869 16.7449 16.7449 19.2821 19.2821 k = 0.3733 0.3733 0.3733 ( 1685 PWs) bands (ev): 2.1701 2.1701 6.3957 6.3957 6.4605 6.4605 6.7597 6.7597 7.4090 7.4090 7.4729 7.4729 7.6823 7.6823 7.8180 7.8180 7.9015 7.9015 9.0104 9.0104 11.0941 11.0941 11.6459 11.6459 11.6510 11.6510 11.8770 11.8770 11.8985 11.8985 12.2427 12.2427 12.2786 12.2786 12.3437 12.3437 12.6425 12.6425 13.2635 13.2635 13.3019 13.3019 13.6882 13.6882 14.4129 14.4129 14.4272 14.4272 16.6205 16.6205 16.6468 16.6468 16.7138 16.7138 19.0996 19.0996 k = 0.3800 0.3800 0.3800 ( 1685 PWs) bands (ev): 2.2252 2.2252 6.3689 6.3689 6.4308 6.4308 6.7115 6.7115 7.4147 7.4147 7.4725 7.4725 7.6919 7.6919 7.8118 7.8118 7.8926 7.8926 9.0183 9.0183 11.1446 11.1446 11.6769 11.6769 11.6789 11.6789 11.8917 11.8917 11.9156 11.9156 12.2224 12.2224 12.2803 12.2803 12.3458 12.3458 12.6410 12.6410 13.2723 13.2723 13.3110 13.3110 13.6865 13.6865 14.3700 14.3700 14.3844 14.3844 16.5657 16.5657 16.5992 16.5992 16.6931 16.6931 18.9209 18.9209 k = 0.3867 0.3867 0.3867 ( 1685 PWs) bands (ev): 2.2790 2.2790 6.3432 6.3432 6.4023 6.4023 6.6632 6.6632 7.4201 7.4201 7.4719 7.4719 7.7011 7.7011 7.8063 7.8063 7.8845 7.8845 9.0256 9.0256 11.1988 11.1988 11.7070 11.7070 11.7081 11.7081 11.9058 11.9058 11.9314 11.9314 12.2034 12.2034 12.2839 12.2839 12.3494 12.3494 12.6396 12.6396 13.2807 13.2807 13.3195 13.3195 13.6849 13.6849 14.3245 14.3245 14.3390 14.3390 16.5150 16.5150 16.5518 16.5518 16.6750 16.6750 18.7469 18.7469 k = 0.3933 0.3933 0.3933 ( 1685 PWs) bands (ev): 2.3312 2.3312 6.3185 6.3185 6.3750 6.3750 6.6153 6.6153 7.4252 7.4252 7.4714 7.4714 7.7098 7.7098 7.8013 7.8013 7.8770 7.8770 9.0323 9.0323 11.2561 11.2561 11.7351 11.7351 11.7393 11.7393 11.9192 11.9192 11.9457 11.9457 12.1858 12.1858 12.2897 12.2897 12.3547 12.3547 12.6380 12.6380 13.2886 13.2886 13.3273 13.3273 13.6834 13.6834 14.2767 14.2767 14.2913 14.2913 16.4683 16.4683 16.5071 16.5071 16.6565 16.6565 18.5789 18.5789 k = 0.4000 0.4000 0.4000 ( 1691 PWs) bands (ev): 2.3818 2.3818 6.2949 6.2949 6.3489 6.3489 6.5682 6.5682 7.4299 7.4299 7.4707 7.4707 7.7180 7.7180 7.7968 7.7968 7.8702 7.8702 9.0382 9.0382 11.3161 11.3161 11.7627 11.7627 11.7699 11.7699 11.9323 11.9323 11.9583 11.9583 12.1695 12.1695 12.2980 12.2980 12.3616 12.3616 12.6363 12.6363 13.2959 13.2959 13.3343 13.3343 13.6818 13.6818 14.2270 14.2270 14.2417 14.2417 16.4256 16.4256 16.4656 16.4656 16.6367 16.6367 18.4177 18.4177 k = 0.4067 0.4067 0.4067 ( 1685 PWs) bands (ev): 2.4306 2.4306 6.2727 6.2727 6.3242 6.3242 6.5222 6.5222 7.4345 7.4345 7.4701 7.4701 7.7257 7.7257 7.7929 7.7929 7.8642 7.8642 9.0435 9.0435 11.3785 11.3785 11.7896 11.7896 11.7994 11.7994 11.9456 11.9456 11.9694 11.9694 12.1550 12.1550 12.3092 12.3092 12.3704 12.3704 12.6345 12.6345 13.3026 13.3026 13.3405 13.3405 13.6804 13.6804 14.1758 14.1758 14.1907 14.1907 16.3869 16.3869 16.4275 16.4275 16.6149 16.6149 18.2647 18.2647 k = 0.4133 0.4133 0.4133 ( 1679 PWs) bands (ev): 2.4773 2.4773 6.2517 6.2517 6.3009 6.3009 6.4776 6.4776 7.4386 7.4386 7.4694 7.4694 7.7328 7.7328 7.7894 7.7894 7.8588 7.8588 9.0482 9.0482 11.4423 11.4423 11.8154 11.8154 11.8269 11.8269 11.9594 11.9594 11.9787 11.9787 12.1423 12.1423 12.3232 12.3232 12.3811 12.3811 12.6325 12.6325 13.3086 13.3086 13.3457 13.3457 13.6789 13.6789 14.1236 14.1236 14.1388 14.1388 16.3518 16.3518 16.3929 16.3929 16.5904 16.5904 18.1209 18.1209 k = 0.4200 0.4200 0.4200 ( 1673 PWs) bands (ev): 2.5219 2.5219 6.2322 6.2322 6.2788 6.2788 6.4351 6.4351 7.4425 7.4425 7.4687 7.4687 7.7392 7.7392 7.7862 7.7862 7.8541 7.8541 9.0523 9.0523 11.5068 11.5068 11.8398 11.8398 11.8516 11.8516 11.9741 11.9741 11.9863 11.9863 12.1311 12.1311 12.3403 12.3403 12.3938 12.3938 12.6304 12.6304 13.3136 13.3136 13.3497 13.3497 13.6774 13.6774 14.0710 14.0710 14.0866 14.0866 16.3203 16.3203 16.3615 16.3615 16.5630 16.5630 17.9874 17.9874 k = 0.4267 0.4267 0.4267 ( 1679 PWs) bands (ev): 2.5639 2.5639 6.2139 6.2139 6.2580 6.2580 6.3947 6.3947 7.4459 7.4459 7.4680 7.4680 7.7450 7.7450 7.7834 7.7834 7.8499 7.8499 9.0556 9.0556 11.5713 11.5713 11.8622 11.8622 11.8725 11.8725 11.9901 11.9901 11.9925 11.9925 12.1216 12.1216 12.3602 12.3602 12.4086 12.4086 12.6279 12.6279 13.3176 13.3176 13.3522 13.3522 13.6758 13.6758 14.0184 14.0184 14.0346 14.0346 16.2921 16.2921 16.3332 16.3332 16.5322 16.5322 17.8651 17.8651 k = 0.4333 0.4333 0.4333 ( 1682 PWs) bands (ev): 2.6033 2.6033 6.1971 6.1971 6.2384 6.2384 6.3570 6.3570 7.4490 7.4490 7.4673 7.4673 7.7500 7.7500 7.7809 7.7809 7.8464 7.8464 9.0584 9.0584 11.6346 11.6346 11.8823 11.8823 11.8895 11.8895 11.9981 11.9981 12.0075 12.0075 12.1139 12.1139 12.3829 12.3829 12.4255 12.4255 12.6252 12.6252 13.3205 13.3205 13.3531 13.3531 13.6742 13.6742 13.9666 13.9666 13.9837 13.9837 16.2671 16.2671 16.3079 16.3079 16.4980 16.4980 17.7552 17.7552 k = 0.4400 0.4400 0.4400 ( 1682 PWs) bands (ev): 2.6398 2.6398 6.1818 6.1818 6.2199 6.2199 6.3225 6.3225 7.4518 7.4518 7.4667 7.4667 7.7545 7.7545 7.7787 7.7787 7.8435 7.8435 9.0607 9.0607 11.6957 11.6957 11.8996 11.8996 11.9028 11.9028 12.0039 12.0039 12.0259 12.0259 12.1078 12.1078 12.4078 12.4078 12.4444 12.4444 12.6222 12.6222 13.3221 13.3221 13.3522 13.3522 13.6723 13.6723 13.9167 13.9167 13.9347 13.9347 16.2452 16.2452 16.2853 16.2853 16.4606 16.4606 17.6581 17.6581 k = 0.4467 0.4467 0.4467 ( 1682 PWs) bands (ev): 2.6732 2.6732 6.1680 6.1680 6.2023 6.2023 6.2915 6.2915 7.4543 7.4543 7.4660 7.4660 7.7583 7.7583 7.7768 7.7768 7.8412 7.8412 9.0627 9.0627 11.7531 11.7531 11.9129 11.9129 11.9137 11.9137 12.0111 12.0111 12.0443 12.0443 12.1031 12.1031 12.4345 12.4345 12.4651 12.4651 12.6190 12.6190 13.3224 13.3224 13.3494 13.3494 13.6702 13.6702 13.8694 13.8694 13.8886 13.8886 16.2260 16.2260 16.2652 16.2652 16.4209 16.4209 17.5741 17.5741 k = 0.4533 0.4533 0.4533 ( 1682 PWs) bands (ev): 2.7033 2.7033 6.1557 6.1557 6.1856 6.1856 6.2646 6.2646 7.4565 7.4565 7.4655 7.4655 7.7615 7.7615 7.7752 7.7752 7.8393 7.8393 9.0642 9.0642 11.8051 11.8051 11.9205 11.9205 11.9243 11.9243 12.0208 12.0208 12.0618 12.0618 12.0996 12.0996 12.4622 12.4622 12.4871 12.4871 12.6154 12.6154 13.3211 13.3211 13.3445 13.3445 13.6674 13.6674 13.8259 13.8259 13.8461 13.8461 16.2095 16.2095 16.2472 16.2472 16.3802 16.3802 17.5030 17.5030 k = 0.4600 0.4600 0.4600 ( 1676 PWs) bands (ev): 2.7299 2.7299 6.1451 6.1451 6.1698 6.1698 6.2420 6.2420 7.4584 7.4584 7.4650 7.4650 7.7641 7.7641 7.7738 7.7738 7.8380 7.8380 9.0655 9.0655 11.8499 11.8499 11.9263 11.9263 11.9316 11.9316 12.0343 12.0343 12.0778 12.0778 12.0972 12.0972 12.4900 12.4900 12.5100 12.5100 12.6117 12.6117 13.3183 13.3183 13.3375 13.3375 13.6636 13.6636 13.7876 13.7876 13.8083 13.8083 16.1955 16.1955 16.2310 16.2310 16.3403 16.3403 17.4443 17.4443 k = 0.4667 0.4667 0.4667 ( 1676 PWs) bands (ev): 2.7527 2.7527 6.1361 6.1361 6.1551 6.1551 6.2238 6.2238 7.4600 7.4600 7.4646 7.4646 7.7662 7.7662 7.7726 7.7726 7.8371 7.8371 9.0664 9.0664 11.8858 11.8858 11.9305 11.9305 11.9360 11.9360 12.0515 12.0515 12.0917 12.0917 12.0955 12.0955 12.5168 12.5168 12.5326 12.5326 12.6078 12.6078 13.3140 13.3140 13.3287 13.3287 13.6583 13.6583 13.7560 13.7560 13.7757 13.7757 16.1839 16.1839 16.2158 16.2158 16.3036 16.3036 17.3970 17.3970 k = 0.4733 0.4733 0.4733 ( 1670 PWs) bands (ev): 2.7717 2.7717 6.1286 6.1286 6.1419 6.1419 6.2097 6.2097 7.4613 7.4613 7.4643 7.4643 7.7677 7.7677 7.7717 7.7717 7.8365 7.8365 9.0672 9.0672 11.9123 11.9123 11.9338 11.9338 11.9386 11.9386 12.0715 12.0715 12.0945 12.0945 12.1032 12.1032 12.5413 12.5413 12.5540 12.5540 12.6041 12.6041 13.3086 13.3086 13.3189 13.3189 13.6508 13.6508 13.7324 13.7324 13.7490 13.7490 16.1745 16.1745 16.2008 16.2008 16.2729 16.2729 17.3601 17.3601 k = 0.4800 0.4800 0.4800 ( 1664 PWs) bands (ev): 2.7867 2.7867 6.1230 6.1230 6.1308 6.1308 6.1995 6.1995 7.4623 7.4623 7.4640 7.4640 7.7689 7.7689 7.7710 7.7710 7.8361 7.8361 9.0679 9.0679 11.9298 11.9298 11.9361 11.9361 11.9406 11.9406 12.0915 12.0915 12.0938 12.0938 12.1122 12.1122 12.5622 12.5622 12.5727 12.5727 12.6010 12.6010 13.3028 13.3028 13.3090 13.3090 13.6417 13.6417 13.7169 13.7169 13.7284 13.7284 16.1674 16.1674 16.1857 16.1857 16.2504 16.2504 17.3327 17.3327 k = 0.4867 0.4867 0.4867 ( 1658 PWs) bands (ev): 2.7974 2.7974 6.1189 6.1189 6.1225 6.1225 6.1924 6.1924 7.4630 7.4630 7.4638 7.4638 7.7696 7.7696 7.7705 7.7705 7.8358 7.8358 9.0683 9.0683 11.9372 11.9372 11.9376 11.9376 11.9455 11.9455 12.0934 12.0934 12.1085 12.1085 12.1186 12.1186 12.5778 12.5778 12.5875 12.5875 12.5990 12.5990 13.2976 13.2976 13.3004 13.3004 13.6330 13.6330 13.7081 13.7081 13.7138 13.7138 16.1624 16.1624 16.1718 16.1718 16.2361 16.2361 17.3138 17.3138 k = 0.4933 0.4933 0.4933 ( 1640 PWs) bands (ev): 2.8040 2.8040 6.1165 6.1165 6.1175 6.1175 6.1885 6.1885 7.4635 7.4635 7.4637 7.4637 7.7701 7.7701 7.7704 7.7704 7.8358 7.8358 9.0687 9.0687 11.9386 11.9386 11.9387 11.9387 11.9510 11.9510 12.0935 12.0935 12.1199 12.1199 12.1226 12.1226 12.5861 12.5861 12.5969 12.5969 12.5992 12.5992 13.2940 13.2940 13.2947 13.2947 13.6269 13.6269 13.7038 13.7038 13.7053 13.7053 16.1595 16.1595 16.1620 16.1620 16.2287 16.2287 17.3028 17.3028 k = 0.5000 0.5000 0.5000 ( 1640 PWs) bands (ev): 2.8061 2.8061 6.1157 6.1157 6.1157 6.1157 6.1871 6.1871 7.4637 7.4637 7.4637 7.4637 7.7703 7.7703 7.7703 7.7703 7.8358 7.8358 9.0688 9.0688 11.9389 11.9389 11.9389 11.9389 11.9529 11.9529 12.0934 12.0934 12.1239 12.1239 12.1239 12.1239 12.5880 12.5880 12.6002 12.6002 12.6002 12.6002 13.2926 13.2926 13.2926 13.2926 13.6247 13.6247 13.7025 13.7025 13.7025 13.7025 16.1585 16.1585 16.1585 16.1585 16.2263 16.2263 17.2991 17.2991 k = 0.5000 0.5000 0.5000 ( 1640 PWs) bands (ev): 2.8061 2.8061 6.1157 6.1157 6.1157 6.1157 6.1871 6.1871 7.4637 7.4637 7.4637 7.4637 7.7703 7.7703 7.7703 7.7703 7.8358 7.8358 9.0688 9.0688 11.9389 11.9389 11.9389 11.9389 11.9529 11.9529 12.0934 12.0934 12.1239 12.1239 12.1239 12.1239 12.5880 12.5880 12.6002 12.6002 12.6002 12.6002 13.2926 13.2926 13.2926 13.2926 13.6247 13.6247 13.7025 13.7025 13.7025 13.7025 16.1585 16.1585 16.1585 16.1585 16.2263 16.2263 17.2991 17.2991 k = 0.4918 0.5000 0.4918 ( 1640 PWs) bands (ev): 2.8039 2.8039 6.1164 6.1164 6.1176 6.1176 6.1885 6.1885 7.4635 7.4635 7.4638 7.4638 7.7701 7.7701 7.7704 7.7704 7.8358 7.8358 9.0687 9.0687 11.9386 11.9386 11.9387 11.9387 11.9510 11.9510 12.0935 12.0935 12.1198 12.1198 12.1226 12.1226 12.5861 12.5861 12.5973 12.5973 12.5988 12.5988 13.2935 13.2935 13.2952 13.2952 13.6269 13.6269 13.7036 13.7036 13.7056 13.7056 16.1594 16.1594 16.1621 16.1621 16.2287 16.2287 17.3028 17.3028 k = 0.4836 0.5000 0.4836 ( 1658 PWs) bands (ev): 2.7974 2.7974 6.1184 6.1184 6.1229 6.1229 6.1925 6.1925 7.4628 7.4628 7.4640 7.4640 7.7696 7.7696 7.7706 7.7706 7.8359 7.8359 9.0682 9.0682 11.9371 11.9371 11.9378 11.9378 11.9454 11.9454 12.0935 12.0935 12.1079 12.1079 12.1191 12.1191 12.5763 12.5763 12.5926 12.5926 12.5951 12.5951 13.2958 13.2958 13.3025 13.3025 13.6330 13.6330 13.7072 13.7072 13.7148 13.7148 16.1615 16.1615 16.1729 16.1729 16.2362 16.2362 17.3138 17.3138 k = 0.4754 0.5000 0.4754 ( 1664 PWs) bands (ev): 2.7865 2.7865 6.1219 6.1219 6.1317 6.1317 6.1998 6.1998 7.4619 7.4619 7.4644 7.4644 7.7687 7.7687 7.7712 7.7712 7.8361 7.8361 9.0678 9.0678 11.9305 11.9305 11.9359 11.9359 11.9400 11.9400 12.0894 12.0894 12.0938 12.0938 12.1142 12.1142 12.5565 12.5565 12.5866 12.5866 12.5922 12.5922 13.2997 13.2997 13.3130 13.3130 13.6415 13.6415 13.7147 13.7147 13.7306 13.7306 16.1636 16.1636 16.1908 16.1908 16.2500 16.2500 17.3327 17.3327 k = 0.4672 0.5000 0.4672 ( 1672 PWs) bands (ev): 2.7715 2.7715 6.1265 6.1265 6.1433 6.1433 6.2108 6.2108 7.4605 7.4605 7.4650 7.4650 7.7675 7.7675 7.7719 7.7719 7.8365 7.8365 9.0672 9.0672 11.9148 11.9148 11.9315 11.9315 11.9380 11.9380 12.0659 12.0659 12.0944 12.0944 12.1089 12.1089 12.5296 12.5296 12.5779 12.5779 12.5903 12.5903 13.3046 13.3046 13.3250 13.3250 13.6500 13.6500 13.7277 13.7277 13.7532 13.7532 16.1646 16.1646 16.2152 16.2152 16.2707 16.2707 17.3598 17.3598 k = 0.4590 0.5000 0.4590 ( 1680 PWs) bands (ev): 2.7525 2.7525 6.1322 6.1322 6.1570 6.1570 6.2262 6.2262 7.4588 7.4588 7.4657 7.4657 7.7660 7.7660 7.7726 7.7726 7.8371 7.8371 9.0665 9.0665 11.8920 11.8920 11.9225 11.9225 11.9364 11.9364 12.0408 12.0408 12.0951 12.0951 12.1044 12.1044 12.4976 12.4976 12.5676 12.5676 12.5883 12.5883 13.3102 13.3102 13.3367 13.3367 13.6562 13.6562 13.7471 13.7471 13.7835 13.7835 16.1640 16.1640 16.2454 16.2454 16.2982 16.2982 17.3959 17.3959 k = 0.4508 0.5000 0.4508 ( 1680 PWs) bands (ev): 2.7297 2.7297 6.1389 6.1389 6.1720 6.1720 6.2466 6.2466 7.4568 7.4568 7.4666 7.4666 7.7642 7.7642 7.7734 7.7734 7.8382 7.8382 9.0656 9.0656 11.8628 11.8628 11.9049 11.9049 11.9348 11.9348 12.0187 12.0187 12.0956 12.0956 12.1024 12.1024 12.4620 12.4620 12.5564 12.5564 12.5860 12.5860 13.3161 13.3161 13.3471 13.3471 13.6599 13.6599 13.7713 13.7713 13.8222 13.8222 16.1620 16.1620 16.2803 16.2803 16.3323 16.3323 17.4416 17.4416 k = 0.4426 0.5000 0.4426 ( 1684 PWs) bands (ev): 2.7032 2.7032 6.1463 6.1463 6.1880 6.1880 6.2720 6.2720 7.4543 7.4543 7.4677 7.4677 7.7621 7.7621 7.7741 7.7741 7.8398 7.8398 9.0645 9.0645 11.8274 11.8274 11.8755 11.8755 11.9329 11.9329 12.0035 12.0035 12.0948 12.0948 12.1042 12.1042 12.4239 12.4239 12.5447 12.5447 12.5833 12.5833 13.3221 13.3221 13.3554 13.3554 13.6615 13.6615 13.7982 13.7982 13.8693 13.8693 16.1587 16.1587 16.3181 16.3181 16.3732 16.3732 17.4975 17.4975 k = 0.4344 0.5000 0.4344 ( 1684 PWs) bands (ev): 2.6734 2.6734 6.1544 6.1544 6.2051 6.2051 6.3023 6.3023 7.4515 7.4515 7.4690 7.4690 7.7597 7.7597 7.7744 7.7744 7.8422 7.8422 9.0632 9.0632 11.7868 11.7868 11.8354 11.8354 11.9306 11.9306 11.9947 11.9947 12.0938 12.0938 12.1088 12.1088 12.3843 12.3843 12.5327 12.5327 12.5802 12.5802 13.3278 13.3278 13.3615 13.3615 13.6619 13.6619 13.8263 13.8263 13.9243 13.9243 16.1543 16.1543 16.3562 16.3562 16.4219 16.4219 17.5644 17.5644 k = 0.4262 0.5000 0.4262 ( 1684 PWs) bands (ev): 2.6405 2.6405 6.1630 6.1630 6.2234 6.2234 6.3371 6.3371 7.4483 7.4483 7.4703 7.4703 7.7570 7.7570 7.7743 7.7743 7.8455 7.8455 9.0616 9.0616 11.7418 11.7418 11.7881 11.7881 11.9280 11.9280 11.9898 11.9898 12.0934 12.0934 12.1156 12.1156 12.3439 12.3439 12.5207 12.5207 12.5766 12.5766 13.3330 13.3330 13.3654 13.3654 13.6613 13.6613 13.8547 13.8547 13.9861 13.9861 16.1490 16.1490 16.3928 16.3928 16.4787 16.4787 17.6427 17.6427 k = 0.4180 0.5000 0.4180 ( 1684 PWs) bands (ev): 2.6046 2.6046 6.1720 6.1720 6.2430 6.2430 6.3758 6.3758 7.4448 7.4448 7.4719 7.4719 7.7540 7.7540 7.7737 7.7737 7.8498 7.8498 9.0598 9.0598 11.6933 11.6933 11.7362 11.7362 11.9250 11.9250 11.9864 11.9864 12.0937 12.0937 12.1244 12.1244 12.3033 12.3033 12.5089 12.5089 12.5726 12.5726 13.3375 13.3375 13.3673 13.3673 13.6600 13.6600 13.8828 13.8828 14.0538 14.0538 16.1426 16.1426 16.4268 16.4268 16.5437 16.5437 17.7325 17.7325 k = 0.4098 0.5000 0.4098 ( 1680 PWs) bands (ev): 2.5662 2.5662 6.1815 6.1815 6.2642 6.2642 6.4179 6.4179 7.4409 7.4409 7.4735 7.4735 7.7506 7.7506 7.7726 7.7726 7.8554 7.8554 9.0578 9.0578 11.6422 11.6422 11.6817 11.6817 11.9215 11.9215 11.9834 11.9834 12.0948 12.0948 12.1352 12.1352 12.2631 12.2631 12.4972 12.4972 12.5683 12.5683 13.3411 13.3411 13.3677 13.3677 13.6583 13.6583 13.9100 13.9100 14.1266 14.1266 16.1355 16.1355 16.4581 16.4581 16.6162 16.6162 17.8336 17.8336 k = 0.4016 0.5000 0.4016 ( 1678 PWs) bands (ev): 2.5255 2.5255 6.1913 6.1913 6.2867 6.2867 6.4631 6.4631 7.4367 7.4367 7.4753 7.4753 7.7469 7.7469 7.7707 7.7707 7.8623 7.8623 9.0554 9.0554 11.5890 11.5890 11.6261 11.6261 11.9175 11.9175 11.9799 11.9799 12.0965 12.0965 12.1473 12.1473 12.2241 12.2241 12.4858 12.4858 12.5636 12.5636 13.3438 13.3438 13.3668 13.3668 13.6561 13.6561 13.9361 13.9361 14.2037 14.2037 16.1273 16.1273 16.4866 16.4866 16.6955 16.6956 17.9458 17.9458 k = 0.3934 0.5000 0.3934 ( 1678 PWs) bands (ev): 2.4826 2.4826 6.2013 6.2013 6.3108 6.3108 6.5108 6.5108 7.4321 7.4321 7.4772 7.4772 7.7428 7.7428 7.7682 7.7682 7.8706 7.8706 9.0528 9.0528 11.5339 11.5339 11.5707 11.5707 11.9129 11.9129 11.9752 11.9752 12.0990 12.0990 12.1583 12.1583 12.1893 12.1893 12.4748 12.4748 12.5585 12.5585 13.3453 13.3453 13.3649 13.3649 13.6535 13.6535 13.9606 13.9606 14.2847 14.2847 16.1183 16.1183 16.5124 16.5124 16.7814 16.7814 18.0683 18.0683 k = 0.3852 0.5000 0.3852 ( 1682 PWs) bands (ev): 2.4379 2.4379 6.2115 6.2115 6.3361 6.3361 6.5608 6.5608 7.4271 7.4271 7.4791 7.4791 7.7383 7.7383 7.7652 7.7652 7.8803 7.8803 9.0499 9.0499 11.4768 11.4768 11.5167 11.5167 11.9075 11.9075 11.9688 11.9688 12.1020 12.1020 12.1431 12.1431 12.1841 12.1841 12.4640 12.4640 12.5532 12.5532 13.3452 13.3452 13.3625 13.3625 13.6507 13.6507 13.9837 13.9837 14.3693 14.3693 16.1083 16.1083 16.5358 16.5358 16.8732 16.8732 18.2005 18.2005 k = 0.3770 0.5000 0.3770 ( 1682 PWs) bands (ev): 2.3916 2.3916 6.2218 6.2218 6.3629 6.3629 6.6126 6.6126 7.4219 7.4219 7.4813 7.4813 7.7334 7.7334 7.7618 7.7618 7.8914 7.8914 9.0469 9.0469 11.4181 11.4181 11.4653 11.4653 11.9013 11.9013 11.9600 11.9600 12.1054 12.1054 12.1119 12.1119 12.1999 12.1999 12.4537 12.4537 12.5477 12.5477 13.3434 13.3434 13.3601 13.3601 13.6475 13.6475 14.0050 14.0050 14.4570 14.4570 16.0974 16.0974 16.5570 16.5570 16.9705 16.9705 18.3416 18.3416 k = 0.3689 0.5000 0.3689 ( 1678 PWs) bands (ev): 2.3439 2.3439 6.2321 6.2321 6.3908 6.3908 6.6658 6.6658 7.4166 7.4166 7.4837 7.4837 7.7280 7.7280 7.7582 7.7582 7.9042 7.9042 9.0437 9.0437 11.3581 11.3581 11.4167 11.4167 11.8942 11.8942 11.9480 11.9480 12.0818 12.0818 12.1106 12.1106 12.2188 12.2188 12.4440 12.4440 12.5420 12.5420 13.3398 13.3398 13.3581 13.3581 13.6440 13.6440 14.0248 14.0248 14.5477 14.5477 16.0857 16.0857 16.5763 16.5763 17.0730 17.0730 18.4907 18.4907 k = 0.3607 0.5000 0.3607 ( 1678 PWs) bands (ev): 2.2951 2.2951 6.2423 6.2423 6.4198 6.4198 6.7200 6.7200 7.4110 7.4110 7.4862 7.4862 7.7221 7.7221 7.7546 7.7546 7.9186 7.9186 9.0403 9.0403 11.2973 11.2973 11.3713 11.3713 11.8858 11.8858 11.9316 11.9316 12.0572 12.0572 12.1157 12.1157 12.2392 12.2392 12.4348 12.4348 12.5362 12.5362 13.3344 13.3344 13.3560 13.3560 13.6402 13.6402 14.0428 14.0428 14.6411 14.6411 16.0729 16.0729 16.5941 16.5941 17.1800 17.1800 18.6470 18.6470 k = 0.3525 0.5000 0.3525 ( 1686 PWs) bands (ev): 2.2453 2.2453 6.2522 6.2522 6.4497 6.4497 6.7746 6.7746 7.4052 7.4052 7.4889 7.4889 7.7155 7.7155 7.7510 7.7510 7.9345 7.9345 9.0370 9.0370 11.2360 11.2360 11.3290 11.3290 11.8754 11.8754 11.9109 11.9109 12.0379 12.0379 12.1214 12.1214 12.2608 12.2608 12.4266 12.4266 12.5302 12.5302 13.3278 13.3278 13.3538 13.3538 13.6361 13.6361 14.0593 14.0593 14.7370 14.7370 16.0591 16.0591 16.6107 16.6107 17.2912 17.2912 18.8098 18.8098 k = 0.3443 0.5000 0.3443 ( 1686 PWs) bands (ev): 2.1947 2.1947 6.2618 6.2618 6.4805 6.4805 6.8293 6.8293 7.3996 7.3996 7.4921 7.4921 7.7083 7.7083 7.7479 7.7479 7.9522 7.9522 9.0337 9.0337 11.1751 11.1751 11.2902 11.2902 11.8620 11.8620 11.8880 11.8880 12.0237 12.0237 12.1277 12.1277 12.2833 12.2833 12.4194 12.4194 12.5242 12.5242 13.3202 13.3202 13.3512 13.3512 13.6318 13.6318 14.0745 14.0745 14.8354 14.8354 16.0443 16.0443 16.6264 16.6264 17.4060 17.4060 18.9782 18.9782 k = 0.3361 0.5000 0.3361 ( 1694 PWs) bands (ev): 2.1436 2.1436 6.2708 6.2708 6.5118 6.5118 6.8833 6.8833 7.3940 7.3940 7.4956 7.4956 7.7005 7.7005 7.7455 7.7455 7.9717 7.9717 9.0306 9.0306 11.1144 11.1144 11.2548 11.2548 11.8422 11.8422 11.8668 11.8668 12.0133 12.0133 12.1345 12.1345 12.3058 12.3058 12.4139 12.4139 12.5181 12.5181 13.3118 13.3118 13.3481 13.3481 13.6272 13.6272 14.0882 14.0882 14.9361 14.9361 16.0284 16.0284 16.6413 16.6413 17.5239 17.5239 19.1515 19.1515 k = 0.3279 0.5000 0.3279 ( 1694 PWs) bands (ev): 2.0920 2.0920 6.2792 6.2792 6.5437 6.5437 6.9359 6.9359 7.3889 7.3889 7.4997 7.4997 7.6921 7.6921 7.7442 7.7442 7.9931 7.9931 9.0279 9.0279 11.0544 11.0544 11.2230 11.2230 11.8157 11.8157 11.8495 11.8495 12.0059 12.0059 12.1419 12.1419 12.3275 12.3275 12.4113 12.4113 12.5121 12.5121 13.3027 13.3027 13.3446 13.3446 13.6224 13.6224 14.1009 14.1009 15.0390 15.0390 16.0115 16.0115 16.6559 16.6559 17.6442 17.6442 19.3288 19.3288 k = 0.3197 0.5000 0.3197 ( 1694 PWs) bands (ev): 2.0402 2.0402 6.2869 6.2869 6.5758 6.5758 6.9861 6.9861 7.3844 7.3844 7.5045 7.5045 7.6833 7.6833 7.7442 7.7442 8.0164 8.0164 9.0256 9.0256 10.9950 10.9950 11.1947 11.1947 11.7859 11.7859 11.8331 11.8331 12.0006 12.0006 12.1497 12.1497 12.3457 12.3457 12.4141 12.4141 12.5063 12.5063 13.2931 13.2931 13.3407 13.3407 13.6174 13.6174 14.1127 14.1127 15.1441 15.1441 15.9934 15.9934 16.6702 16.6702 17.7664 17.7664 19.5095 19.5095 k = 0.3115 0.5000 0.3115 ( 1690 PWs) bands (ev): 1.9883 1.9883 6.2935 6.2935 6.6080 6.6080 7.0328 7.0328 7.3809 7.3809 7.5102 7.5102 7.6743 7.6743 7.7462 7.7462 8.0419 8.0419 9.0238 9.0238 10.9365 10.9365 11.1700 11.1700 11.7550 11.7550 11.8160 11.8160 11.9968 11.9968 12.1580 12.1580 12.3571 12.3571 12.4256 12.4256 12.5006 12.5006 13.2829 13.2829 13.3364 13.3364 13.6121 13.6121 14.1236 14.1236 15.2512 15.2512 15.9742 15.9742 16.6846 16.6846 17.8898 17.8898 19.6928 19.6928 k = 0.3033 0.5000 0.3033 ( 1690 PWs) bands (ev): 1.9364 1.9364 6.2991 6.2991 6.6402 6.6402 7.0747 7.0747 7.3786 7.3786 7.5168 7.5168 7.6651 7.6651 7.7509 7.7509 8.0695 8.0695 9.0228 9.0228 10.8789 10.8789 11.1487 11.1487 11.7238 11.7238 11.7976 11.7976 11.9943 11.9943 12.1665 12.1665 12.3613 12.3613 12.4458 12.4458 12.4953 12.4953 13.2721 13.2721 13.3315 13.3315 13.6065 13.6065 14.1339 14.1339 15.3603 15.3603 15.9538 15.9538 16.6991 16.6991 18.0135 18.0135 19.8776 19.8776 k = 0.2951 0.5000 0.2951 ( 1690 PWs) bands (ev): 1.8847 1.8847 6.3033 6.3033 6.6721 6.6721 7.1103 7.1103 7.3779 7.3779 7.5241 7.5241 7.6561 7.6561 7.7593 7.7593 8.0992 8.0992 9.0227 9.0227 10.8223 10.8223 11.1308 11.1308 11.6929 11.6929 11.7777 11.7777 11.9930 11.9930 12.1755 12.1755 12.3619 12.3619 12.4709 12.4709 12.4907 12.4907 13.2609 13.2609 13.3262 13.3262 13.6008 13.6008 14.1436 14.1436 15.4713 15.4713 15.9324 15.9324 16.7140 16.7140 18.1368 18.1368 20.0631 20.0631 k = 0.2869 0.5000 0.2869 ( 1682 PWs) bands (ev): 1.8333 1.8333 6.3062 6.3062 6.7036 6.7036 7.1387 7.1387 7.3789 7.3789 7.5317 7.5317 7.6477 7.6477 7.7727 7.7727 8.1314 8.1314 9.0236 9.0236 10.7669 10.7669 11.1161 11.1161 11.6624 11.6624 11.7564 11.7564 11.9928 11.9928 12.1847 12.1847 12.3612 12.3612 12.4837 12.4837 12.5019 12.5019 13.2494 13.2494 13.3207 13.3207 13.5949 13.5949 14.1531 14.1531 15.5839 15.5839 15.9099 15.9099 16.7294 16.7294 18.2586 18.2586 20.2482 20.2482 k = 0.2787 0.5000 0.2787 ( 1682 PWs) bands (ev): 1.7823 1.7823 6.3074 6.3074 6.7344 6.7344 7.1595 7.1595 7.3814 7.3814 7.5385 7.5385 7.6401 7.6401 7.7922 7.7922 8.1657 8.1657 9.0255 9.0255 10.7126 10.7126 11.1044 11.1044 11.6323 11.6323 11.7335 11.7335 11.9934 11.9934 12.1942 12.1942 12.3603 12.3603 12.4801 12.4801 12.5315 12.5315 13.2373 13.2373 13.3145 13.3145 13.5887 13.5887 14.1624 14.1624 15.6971 15.6971 15.8873 15.8873 16.7455 16.7455 18.3779 18.3779 20.4314 20.4314 k = 0.2705 0.5000 0.2705 ( 1678 PWs) bands (ev): 1.7318 1.7318 6.3070 6.3070 6.7646 6.7646 7.1730 7.1730 7.3847 7.3847 7.5434 7.5434 7.6339 7.6339 7.8190 7.8190 8.2025 8.2025 9.0285 9.0285 10.6596 10.6596 11.0954 11.0954 11.6030 11.6030 11.7091 11.7091 11.9949 11.9949 12.2039 12.2039 12.3596 12.3596 12.4763 12.4763 12.5629 12.5629 13.2250 13.2250 13.3080 13.3080 13.5824 13.5824 14.1717 14.1717 15.8029 15.8029 15.8728 15.8728 16.7623 16.7623 18.4936 18.4936 20.6112 20.6112 k = 0.2623 0.5000 0.2623 ( 1686 PWs) bands (ev): 1.6818 1.6818 6.3046 6.3046 6.7938 6.7938 7.1805 7.1805 7.3881 7.3881 7.5456 7.5456 7.6291 7.6291 7.8534 7.8534 8.2414 8.2414 9.0328 9.0328 10.6078 10.6078 11.0889 11.0889 11.5742 11.5742 11.6832 11.6832 11.9970 11.9970 12.2137 12.2137 12.3592 12.3592 12.4730 12.4730 12.5952 12.5952 13.2122 13.2122 13.3010 13.3010 13.5759 13.5759 14.1810 14.1810 15.8217 15.8217 15.9454 15.9454 16.7801 16.7801 18.6042 18.6042 20.7856 20.7856 k = 0.2541 0.5000 0.2541 ( 1690 PWs) bands (ev): 1.6326 1.6326 6.3005 6.3005 6.8220 6.8220 7.1835 7.1835 7.3911 7.3911 7.5448 7.5448 7.6258 7.6258 7.8950 7.8950 8.2828 8.2828 9.0384 9.0384 10.5572 10.5572 11.0847 11.0847 11.5461 11.5461 11.6561 11.6561 12.0000 12.0000 12.2235 12.2235 12.3594 12.3594 12.4703 12.4703 12.6282 12.6282 13.1991 13.1991 13.2937 13.2937 13.5692 13.5692 14.1906 14.1906 15.7970 15.7970 16.0620 16.0620 16.7989 16.7989 18.7083 18.7083 20.9520 20.9520 k = 0.2459 0.5000 0.2459 ( 1690 PWs) bands (ev): 1.5842 1.5842 6.2944 6.2944 6.8490 6.8490 7.1832 7.1832 7.3934 7.3934 7.5415 7.5415 7.6237 7.6237 7.9426 7.9426 8.3266 8.3266 9.0453 9.0453 10.5080 10.5080 11.0826 11.0826 11.5187 11.5187 11.6277 11.6277 12.0039 12.0039 12.2335 12.2335 12.3604 12.3604 12.4683 12.4683 12.6618 12.6618 13.1858 13.1858 13.2861 13.2861 13.5625 13.5625 14.2005 14.2005 15.7678 15.7678 16.1834 16.1834 16.8189 16.8189 18.8043 18.8043 21.1076 21.1076 k = 0.2377 0.5000 0.2377 ( 1690 PWs) bands (ev): 1.5367 1.5367 6.2863 6.2863 6.8748 6.8748 7.1808 7.1808 7.3948 7.3948 7.5364 7.5364 7.6224 7.6224 7.9951 7.9951 8.3726 8.3726 9.0535 9.0535 10.4601 10.4601 11.0822 11.0822 11.4921 11.4921 11.5982 11.5982 12.0086 12.0086 12.2435 12.2435 12.3620 12.3620 12.4671 12.4671 12.6958 12.6958 13.1723 13.1723 13.2781 13.2781 13.5556 13.5556 14.2109 14.2109 15.7365 15.7365 16.3071 16.3071 16.8401 16.8401 18.8905 18.8905 21.2488 21.2488 k = 0.2295 0.5000 0.2295 ( 1690 PWs) bands (ev): 1.4901 1.4901 6.2762 6.2762 6.8993 6.8993 7.1770 7.1770 7.3954 7.3954 7.5303 7.5303 7.6215 7.6215 8.0514 8.0514 8.4208 8.4208 9.0630 9.0630 10.4136 10.4136 11.0832 11.0832 11.4662 11.4662 11.5675 11.5675 12.0140 12.0140 12.2535 12.2535 12.3644 12.3644 12.4667 12.4667 12.7300 12.7300 13.1586 13.1586 13.2698 13.2698 13.5487 13.5487 14.2219 14.2219 15.7034 15.7034 16.4327 16.4327 16.8628 16.8628 18.9653 18.9653 21.3715 21.3715 k = 0.2213 0.5000 0.2213 ( 1690 PWs) bands (ev): 1.4446 1.4446 6.2643 6.2643 6.9224 6.9224 7.1724 7.1724 7.3952 7.3952 7.5237 7.5237 7.6210 7.6210 8.1106 8.1106 8.4712 8.4712 9.0738 9.0738 10.3684 10.3684 11.0854 11.0854 11.4410 11.4410 11.5358 11.5358 12.0201 12.0201 12.2634 12.2634 12.3674 12.3674 12.4673 12.4673 12.7644 12.7644 13.1448 13.1448 13.2611 13.2611 13.5417 13.5417 14.2335 14.2335 15.6687 15.6687 16.5600 16.5600 16.8869 16.8869 19.0272 19.0272 21.4719 21.4719 k = 0.2131 0.5000 0.2131 ( 1690 PWs) bands (ev): 1.4002 1.4002 6.2506 6.2506 6.9441 6.9441 7.1674 7.1674 7.3944 7.3944 7.5170 7.5170 7.6206 7.6206 8.1717 8.1717 8.5234 8.5234 9.0859 9.0859 10.3246 10.3246 11.0884 11.0884 11.4167 11.4167 11.5032 11.5032 12.0269 12.0269 12.2733 12.2733 12.3710 12.3710 12.4687 12.4687 12.7986 12.7986 13.1309 13.1309 13.2521 13.2521 13.5348 13.5348 14.2458 14.2458 15.6324 15.6324 16.6890 16.6890 16.9127 16.9127 19.0752 19.0752 21.5466 21.5466 k = 0.2049 0.5000 0.2049 ( 1692 PWs) bands (ev): 1.3569 1.3569 6.2352 6.2352 6.9644 6.9644 7.1622 7.1622 7.3932 7.3932 7.5103 7.5103 7.6204 7.6204 8.2344 8.2344 8.5773 8.5773 9.0991 9.0991 10.2823 10.2823 11.0920 11.0920 11.3931 11.3931 11.4696 11.4696 12.0343 12.0343 12.2831 12.2831 12.3752 12.3752 12.4710 12.4710 12.8325 12.8325 13.1170 13.1170 13.2427 13.2427 13.5279 13.5279 14.2590 14.2590 15.5946 15.5946 16.8194 16.8194 16.9404 16.9404 19.1085 19.1085 21.5935 21.5935 k = 0.1967 0.5000 0.1967 ( 1688 PWs) bands (ev): 1.3149 1.3149 6.2183 6.2183 6.9832 6.9832 7.1571 7.1571 7.3915 7.3915 7.5040 7.5040 7.6204 7.6204 8.2980 8.2980 8.6327 8.6327 9.1134 9.1134 10.2416 10.2416 11.0960 11.0960 11.3705 11.3705 11.4354 11.4354 12.0423 12.0423 12.2929 12.2929 12.3801 12.3801 12.4743 12.4743 12.8659 12.8659 13.1034 13.1034 13.2330 13.2330 13.5211 13.5211 14.2730 14.2730 15.5553 15.5553 16.9478 16.9478 16.9734 16.9734 19.1269 19.1269 21.6125 21.6125 k = 0.1885 0.5000 0.1885 ( 1680 PWs) bands (ev): 1.2742 1.2742 6.2001 6.2001 7.0004 7.0004 7.1522 7.1522 7.3896 7.3896 7.4981 7.4981 7.6207 7.6207 8.3622 8.3622 8.6895 8.6895 9.1288 9.1288 10.2022 10.2022 11.1002 11.1002 11.3486 11.3486 11.4007 11.4007 12.0510 12.0510 12.3026 12.3026 12.3857 12.3857 12.4787 12.4787 12.8984 12.8984 13.0902 13.0902 13.2233 13.2233 13.5146 13.5146 14.2879 14.2879 15.5146 15.5146 16.9983 16.9983 17.0876 17.0876 19.1309 19.1309 21.6053 21.6053 k = 0.1803 0.5000 0.1803 ( 1684 PWs) bands (ev): 1.2348 1.2348 6.1808 6.1808 7.0161 7.0161 7.1475 7.1475 7.3874 7.3874 7.4926 7.4926 7.6210 7.6210 8.4267 8.4267 8.7473 8.7473 9.1450 9.1450 10.1642 10.1642 11.1041 11.1041 11.3275 11.3275 11.3650 11.3650 12.0601 12.0601 12.3121 12.3121 12.3914 12.3914 12.4841 12.4841 12.9292 12.9292 13.0779 13.0779 13.2130 13.2130 13.5083 13.5083 14.3037 14.3037 15.4725 15.4725 17.0316 17.0316 17.2222 17.2222 19.1214 19.1214 21.5749 21.5749 k = 0.1721 0.5000 0.1721 ( 1688 PWs) bands (ev): 1.1968 1.1968 6.1606 6.1606 7.0303 7.0303 7.1431 7.1431 7.3851 7.3851 7.4875 7.4875 7.6216 7.6216 8.4912 8.4912 8.8060 8.8060 9.1621 9.1621 10.1276 10.1276 11.1077 11.1077 11.3072 11.3072 11.3289 11.3289 12.0698 12.0698 12.3216 12.3216 12.3976 12.3976 12.4905 12.4905 12.9567 12.9567 13.0681 13.0681 13.2025 13.2025 13.5025 13.5025 14.3202 14.3202 15.4291 15.4291 17.0664 17.0664 17.3587 17.3587 19.0999 19.0999 21.5251 21.5251 k = 0.1639 0.5000 0.1639 ( 1688 PWs) bands (ev): 1.1603 1.1603 6.1398 6.1398 7.0429 7.0429 7.1392 7.1392 7.3827 7.3827 7.4829 7.4829 7.6223 7.6223 8.5556 8.5556 8.8652 8.8652 9.1798 9.1798 10.0925 10.0925 11.1108 11.1108 11.2879 11.2879 11.2923 11.2923 12.0799 12.0799 12.3310 12.3310 12.4041 12.4041 12.4980 12.4980 12.9779 12.9779 13.0637 13.0637 13.1919 13.1919 13.4972 13.4972 14.3377 14.3377 15.3846 15.3846 17.1030 17.1030 17.4965 17.4965 19.0679 19.0679 21.4595 21.4595 k = 0.1557 0.5000 0.1557 ( 1688 PWs) bands (ev): 1.1253 1.1253 6.1185 6.1185 7.0539 7.0539 7.1359 7.1359 7.3803 7.3803 7.4787 7.4787 7.6233 7.6233 8.6195 8.6195 8.9247 8.9247 9.1981 9.1981 10.0589 10.0589 11.1133 11.1133 11.2553 11.2553 11.2695 11.2695 12.0905 12.0905 12.3402 12.3402 12.4110 12.4110 12.5067 12.5067 12.9876 12.9876 13.0694 13.0694 13.1815 13.1815 13.4926 13.4926 14.3560 14.3560 15.3391 15.3391 17.1416 17.1416 17.6356 17.6356 19.0273 19.0273 21.3815 21.3815 k = 0.1475 0.5000 0.1475 ( 1684 PWs) bands (ev): 1.0919 1.0919 6.0970 6.0970 7.0633 7.0633 7.1331 7.1331 7.3781 7.3781 7.4750 7.4750 7.6243 7.6243 8.6830 8.6830 8.9842 8.9842 9.2168 9.2168 10.0267 10.0267 11.1150 11.1150 11.2181 11.2181 11.2522 11.2522 12.1015 12.1015 12.3492 12.3492 12.4180 12.4180 12.5165 12.5165 12.9853 12.9853 13.0848 13.0848 13.1720 13.1720 13.4890 13.4890 14.3752 14.3752 15.2927 15.2927 17.1820 17.1820 17.7758 17.7758 18.9797 18.9797 21.2940 21.2940 k = 0.1393 0.5000 0.1393 ( 1682 PWs) bands (ev): 1.0600 1.0600 6.0754 6.0754 7.0709 7.0709 7.1312 7.1312 7.3759 7.3759 7.4717 7.4717 7.6256 7.6256 8.7456 8.7456 9.0433 9.0433 9.2359 9.2359 9.9958 9.9958 11.1159 11.1159 11.1808 11.1808 11.2357 11.2357 12.1128 12.1128 12.3577 12.3577 12.4253 12.4253 12.5274 12.5274 12.9767 12.9767 13.1022 13.1022 13.1651 13.1651 13.4865 13.4865 14.3948 14.3948 15.2457 15.2457 17.2244 17.2244 17.9169 17.9169 18.9267 18.9267 21.1994 21.1994 k = 0.1311 0.5000 0.1311 ( 1682 PWs) bands (ev): 1.0297 1.0297 6.0541 6.0541 7.0767 7.0767 7.1301 7.1301 7.3739 7.3739 7.4688 7.4688 7.6269 7.6269 8.8074 8.8074 9.1017 9.1017 9.2551 9.2551 9.9664 9.9664 11.1157 11.1157 11.1436 11.1436 11.2202 11.2202 12.1244 12.1244 12.3657 12.3657 12.4327 12.4327 12.5395 12.5395 12.9652 12.9652 13.1125 13.1125 13.1659 13.1659 13.4854 13.4854 14.4151 14.4151 15.1982 15.1982 17.2685 17.2685 18.0588 18.0588 18.8699 18.8699 21.0997 21.0997 k = 0.1230 0.5000 0.1230 ( 1686 PWs) bands (ev): 1.0011 1.0011 6.0332 6.0332 7.0806 7.0806 7.1300 7.1300 7.3720 7.3720 7.4663 7.4663 7.6283 7.6283 8.8681 8.8681 9.1589 9.1589 9.2744 9.2744 9.9383 9.9383 11.1050 11.1050 11.1161 11.1161 11.2058 11.2058 12.1360 12.1360 12.3731 12.3731 12.4403 12.4403 12.5528 12.5528 12.9526 12.9526 13.1106 13.1106 13.1777 13.1777 13.4860 13.4860 14.4358 14.4358 15.1504 15.1504 17.3144 17.3144 18.2013 18.2013 18.8105 18.8105 20.9966 20.9966 k = 0.1148 0.5000 0.1148 ( 1686 PWs) bands (ev): 0.9741 0.9741 6.0128 6.0128 7.0829 7.0829 7.1308 7.1308 7.3703 7.3703 7.4641 7.4641 7.6297 7.6297 8.9276 8.9276 9.2145 9.2145 9.2937 9.2937 9.9116 9.9116 11.0688 11.0688 11.1136 11.1136 11.1924 11.1924 12.1478 12.1478 12.3797 12.3797 12.4480 12.4480 12.5671 12.5671 12.9397 12.9397 13.1014 13.1014 13.1945 13.1945 13.4887 13.4887 14.4567 14.4567 15.1026 15.1026 17.3619 17.3619 18.3441 18.3441 18.7500 18.7500 20.8915 20.8915 k = 0.1066 0.5000 0.1066 ( 1688 PWs) bands (ev): 0.9489 0.9489 5.9931 5.9931 7.0838 7.0838 7.1323 7.1323 7.3689 7.3689 7.4622 7.4622 7.6312 7.6312 8.9856 8.9856 9.2676 9.2676 9.3136 9.3136 9.8862 9.8862 11.0321 11.0321 11.1107 11.1107 11.1802 11.1802 12.1597 12.1597 12.3854 12.3854 12.4559 12.4559 12.5825 12.5825 12.9268 12.9268 13.0892 13.0892 13.2116 13.2116 13.4938 13.4938 14.4777 14.4777 15.0552 15.0552 17.4107 17.4107 18.4869 18.4869 18.6894 18.6894 20.7857 20.7857 k = 0.0984 0.5000 0.0984 ( 1688 PWs) bands (ev): 0.9255 0.9255 5.9744 5.9744 7.0837 7.0837 7.1341 7.1341 7.3676 7.3676 7.4606 7.4606 7.6327 7.6327 9.0421 9.0421 9.3140 9.3140 9.3375 9.3375 9.8621 9.8621 10.9963 10.9963 11.1072 11.1072 11.1692 11.1692 12.1715 12.1715 12.3903 12.3903 12.4635 12.4635 12.5990 12.5990 12.9140 12.9140 13.0756 13.0756 13.2267 13.2267 13.5015 13.5015 14.4985 14.4985 15.0084 15.0084 17.4606 17.4606 18.6212 18.6212 18.6378 18.6378 20.6803 20.6803 k = 0.0902 0.5000 0.0902 ( 1688 PWs) bands (ev): 0.9038 0.9038 5.9566 5.9566 7.0830 7.0830 7.1361 7.1361 7.3664 7.3664 7.4593 7.4593 7.6342 7.6342 9.0968 9.0968 9.3417 9.3417 9.3772 9.3772 9.8392 9.8392 10.9614 10.9614 11.1030 11.1030 11.1593 11.1593 12.1832 12.1832 12.3945 12.3945 12.4709 12.4709 12.6163 12.6163 12.9017 12.9017 13.0610 13.0610 13.2394 13.2394 13.5116 13.5116 14.5190 14.5190 14.9626 14.9626 17.5112 17.5112 18.5704 18.5704 18.7720 18.7720 20.5765 20.5765 k = 0.0820 0.5000 0.0820 ( 1686 PWs) bands (ev): 0.8840 0.8840 5.9400 5.9400 7.0819 7.0819 7.1380 7.1380 7.3655 7.3655 7.4583 7.4583 7.6356 7.6356 9.1496 9.1496 9.3602 9.3602 9.4223 9.4223 9.8175 9.8175 10.9277 10.9277 11.0983 11.0983 11.1505 11.1505 12.1946 12.1946 12.3980 12.3980 12.4779 12.4779 12.6346 12.6346 12.8899 12.8899 13.0456 13.0456 13.2495 13.2495 13.5240 13.5240 14.5389 14.5389 14.9182 14.9182 17.5622 17.5622 18.5147 18.5147 18.9122 18.9122 20.4754 20.4754 k = 0.0738 0.5000 0.0738 ( 1686 PWs) bands (ev): 0.8659 0.8659 5.9247 5.9247 7.0805 7.0805 7.1397 7.1397 7.3647 7.3647 7.4574 7.4574 7.6370 7.6370 9.2001 9.2001 9.3764 9.3764 9.4657 9.4657 9.7968 9.7968 10.8954 10.8954 11.0933 11.0933 11.1427 11.1427 12.2057 12.2057 12.4008 12.4008 12.4844 12.4844 12.6535 12.6535 12.8789 12.8789 13.0297 13.0297 13.2571 13.2571 13.5382 13.5382 14.5578 14.5578 14.8758 14.8758 17.6128 17.6128 18.4620 18.4620 19.0503 19.0503 20.3779 20.3779 k = 0.0656 0.5000 0.0656 ( 1690 PWs) bands (ev): 0.8497 0.8497 5.9108 5.9108 7.0791 7.0791 7.1412 7.1412 7.3640 7.3640 7.4566 7.4566 7.6383 7.6383 9.2480 9.2480 9.3912 9.3912 9.5057 9.5057 9.7771 9.7771 10.8645 10.8645 11.0883 11.0883 11.1360 11.1360 12.2161 12.2161 12.4029 12.4029 12.4904 12.4904 12.6727 12.6727 12.8685 12.8685 13.0132 13.0132 13.2625 13.2625 13.5535 13.5535 14.5757 14.5757 14.8356 14.8356 17.6626 17.6626 18.4130 18.4130 19.1851 19.1851 20.2854 20.2854 k = 0.0574 0.5000 0.0574 ( 1690 PWs) bands (ev): 0.8354 0.8354 5.8983 5.8983 7.0778 7.0778 7.1425 7.1425 7.3635 7.3635 7.4561 7.4561 7.6394 7.6394 9.2933 9.2933 9.4045 9.4045 9.5422 9.5422 9.7583 9.7583 10.8361 10.8361 11.0834 11.0834 11.1300 11.1300 12.2260 12.2260 12.4046 12.4046 12.4956 12.4956 12.6922 12.6922 12.8593 12.8593 12.9963 12.9963 13.2663 13.2663 13.5694 13.5694 14.5919 14.5919 14.7985 14.7985 17.7106 17.7106 18.3683 18.3683 19.3151 19.3151 20.1990 20.1990 k = 0.0492 0.5000 0.0492 ( 1682 PWs) bands (ev): 0.8230 0.8230 5.8873 5.8873 7.0765 7.0765 7.1436 7.1436 7.3631 7.3631 7.4557 7.4557 7.6405 7.6405 9.3354 9.3354 9.4165 9.4165 9.5746 9.5746 9.7404 9.7404 10.8103 10.8103 11.0788 11.0788 11.1251 11.1251 12.2351 12.2351 12.4058 12.4058 12.5002 12.5002 12.7118 12.7118 12.8514 12.8514 12.9791 12.9791 13.2689 13.2689 13.5851 13.5851 14.6063 14.6063 14.7650 14.7650 17.7560 17.7560 18.3286 18.3286 19.4384 19.4384 20.1201 20.1201 k = 0.0410 0.5000 0.0410 ( 1682 PWs) bands (ev): 0.8124 0.8124 5.8778 5.8778 7.0754 7.0754 7.1444 7.1444 7.3627 7.3627 7.4554 7.4554 7.6414 7.6414 9.3738 9.3738 9.4269 9.4269 9.6025 9.6025 9.7233 9.7233 10.7874 10.7874 11.0747 11.0747 11.1208 11.1208 12.2432 12.2432 12.4066 12.4066 12.5040 12.5040 12.7309 12.7309 12.8451 12.8451 12.9616 12.9616 13.2705 13.2705 13.5998 13.5998 14.6183 14.6183 14.7360 14.7360 17.7975 17.7975 18.2941 18.2941 19.5523 19.5523 20.0504 20.0504 k = 0.0328 0.5000 0.0328 ( 1678 PWs) bands (ev): 0.8038 0.8038 5.8701 5.8701 7.0745 7.0745 7.1451 7.1451 7.3625 7.3625 7.4552 7.4552 7.6422 7.6422 9.4075 9.4075 9.4362 9.4362 9.6257 9.6257 9.7073 9.7073 10.7679 10.7679 11.0711 11.0711 11.1172 11.1172 12.2502 12.2502 12.4071 12.4071 12.5071 12.5071 12.7490 12.7490 12.8407 12.8407 12.9441 12.9441 13.2714 13.2714 13.6130 13.6130 14.6273 14.6273 14.7123 14.7123 17.8340 17.8340 18.2654 18.2654 19.6533 19.6533 19.9918 19.9918 k = 0.0246 0.5000 0.0246 ( 1678 PWs) bands (ev): 0.7970 0.7970 5.8640 5.8640 7.0737 7.0737 7.1455 7.1455 7.3623 7.3623 7.4550 7.4550 7.6428 7.6428 9.4333 9.4333 9.4466 9.4466 9.6437 9.6437 9.6929 9.6929 10.7523 10.7523 11.0682 11.0682 11.1144 11.1144 12.2559 12.2559 12.4074 12.4074 12.5095 12.5095 12.7650 12.7650 12.8388 12.8388 12.9268 12.9268 13.2719 13.2719 13.6240 13.6240 14.6326 14.6326 14.6952 14.6952 17.8642 17.8642 18.2426 18.2426 19.7361 19.7361 19.9470 19.9470 k = 0.0164 0.5000 0.0164 ( 1682 PWs) bands (ev): 0.7922 0.7922 5.8596 5.8596 7.0731 7.0731 7.1458 7.1458 7.3621 7.3621 7.4548 7.4548 7.6433 7.6433 9.4438 9.4438 9.4643 9.4643 9.6560 9.6560 9.6813 9.6813 10.7407 10.7407 11.0661 11.0661 11.1124 11.1124 12.2600 12.2600 12.4076 12.4076 12.5112 12.5112 12.7775 12.7775 12.8403 12.8403 12.9104 12.9104 13.2722 13.2722 13.6322 13.6322 14.6338 14.6338 14.6851 14.6851 17.8868 17.8868 18.2261 18.2261 19.7932 19.7932 19.9206 19.9206 k = 0.0082 0.5000 0.0082 ( 1686 PWs) bands (ev): 0.7893 0.7893 5.8570 5.8570 7.0727 7.0727 7.1460 7.1460 7.3621 7.3621 7.4547 7.4547 7.6435 7.6435 9.4476 9.4476 9.4788 9.4788 9.6613 9.6613 9.6754 9.6754 10.7334 10.7334 11.0649 11.0649 11.1111 11.1111 12.2625 12.2625 12.4075 12.4075 12.5121 12.5121 12.7851 12.7851 12.8447 12.8447 12.8970 12.8970 13.2722 13.2722 13.6373 13.6373 14.6327 14.6327 14.6808 14.6808 17.9008 17.9008 18.2162 18.2162 19.8183 19.8183 19.9157 19.9157 k = 0.0000 0.5000-0.0000 ( 1686 PWs) bands (ev): 0.7883 0.7883 5.8561 5.8561 7.0726 7.0726 7.1461 7.1461 7.3620 7.3620 7.4547 7.4547 7.6436 7.6436 9.4487 9.4487 9.4840 9.4840 9.6614 9.6614 9.6747 9.6747 10.7310 10.7310 11.0644 11.0644 11.1107 11.1107 12.2634 12.2634 12.4076 12.4076 12.5125 12.5125 12.7875 12.7875 12.8476 12.8476 12.8911 12.8911 13.2723 13.2723 13.6391 13.6391 14.6319 14.6319 14.6798 14.6798 17.9056 17.9056 18.2129 18.2129 19.8229 19.8229 19.9182 19.9182 k = 0.5000 0.5000-0.0000 ( 1692 PWs) bands (ev): 1.7174 1.7174 6.6494 6.6494 6.6719 6.6719 7.1340 7.1340 7.1925 7.1925 7.4542 7.4542 7.4846 7.4846 7.6712 7.6712 8.7220 8.7220 9.1105 9.1105 10.6624 10.6624 10.6657 10.6657 11.4451 11.4451 11.8023 11.8023 11.8820 11.8820 12.0039 12.0039 12.1413 12.1413 12.7706 12.7706 12.8449 12.8449 12.8457 12.8457 13.2539 13.2539 13.9858 13.9858 14.2616 14.2616 14.3681 14.3681 15.9057 15.9057 20.2111 20.2111 20.2640 20.2640 20.6021 20.6021 k = 0.5000 0.5000 0.0116 ( 1676 PWs) bands (ev): 1.7185 1.7185 6.6481 6.6481 6.6708 6.6708 7.1350 7.1350 7.1926 7.1926 7.4550 7.4550 7.4852 7.4852 7.6712 7.6712 8.7199 8.7199 9.1104 9.1104 10.6633 10.6633 10.6666 10.6666 11.4460 11.4460 11.8028 11.8028 11.8825 11.8825 12.0047 12.0047 12.1420 12.1420 12.7605 12.7605 12.8433 12.8433 12.8563 12.8563 13.2543 13.2543 13.9857 13.9857 14.2616 14.2616 14.3680 14.3680 15.9057 15.9057 20.2007 20.2007 20.2533 20.2533 20.6084 20.6084 k = 0.5000 0.5000 0.0233 ( 1676 PWs) bands (ev): 1.7217 1.7217 6.6439 6.6439 6.6672 6.6672 7.1379 7.1379 7.1928 7.1928 7.4571 7.4571 7.4868 7.4868 7.6711 7.6711 8.7138 8.7138 9.1099 9.1099 10.6657 10.6657 10.6692 10.6692 11.4488 11.4488 11.8038 11.8038 11.8835 11.8835 12.0066 12.0066 12.1437 12.1437 12.7379 12.7379 12.8385 12.8385 12.8792 12.8792 13.2545 13.2545 13.9848 13.9848 14.2611 14.2611 14.3674 14.3674 15.9058 15.9058 20.1698 20.1698 20.2216 20.2216 20.6273 20.6273 k = 0.5000 0.5000 0.0349 ( 1676 PWs) bands (ev): 1.7269 1.7269 6.6372 6.6372 6.6612 6.6612 7.1425 7.1425 7.1930 7.1930 7.4607 7.4607 7.4896 7.4896 7.6710 7.6710 8.7035 8.7035 9.1091 9.1091 10.6699 10.6699 10.6736 10.6736 11.4535 11.4535 11.8053 11.8053 11.8852 11.8852 12.0097 12.0097 12.1465 12.1465 12.7115 12.7115 12.8305 12.8305 12.9061 12.9061 13.2549 13.2549 13.9833 13.9833 14.2602 14.2602 14.3665 14.3665 15.9059 15.9059 20.1196 20.1196 20.1703 20.1703 20.6585 20.6585 k = 0.5000 0.5000 0.0465 ( 1676 PWs) bands (ev): 1.7343 1.7343 6.6280 6.6280 6.6532 6.6532 7.1487 7.1487 7.1930 7.1930 7.4656 7.4656 7.4933 7.4933 7.6708 7.6708 8.6893 8.6893 9.1079 9.1079 10.6757 10.6757 10.6797 10.6797 11.4601 11.4601 11.8075 11.8075 11.8875 11.8875 12.0141 12.0141 12.1505 12.1505 12.6838 12.6838 12.8195 12.8195 12.9344 12.9344 13.2553 13.2553 13.9811 13.9811 14.2589 14.2589 14.3651 14.3651 15.9062 15.9062 20.0520 20.0520 20.1011 20.1011 20.7018 20.7018 k = 0.5000 0.5000 0.0581 ( 1676 PWs) bands (ev): 1.7437 1.7437 6.6166 6.6166 6.6431 6.6431 7.1563 7.1563 7.1927 7.1927 7.4718 7.4718 7.4980 7.4980 7.6706 7.6706 8.6713 8.6713 9.1064 9.1064 10.6833 10.6833 10.6877 10.6877 11.4685 11.4685 11.8101 11.8101 11.8903 11.8903 12.0197 12.0197 12.1555 12.1555 12.6557 12.6557 12.8057 12.8057 12.9634 12.9634 13.2559 13.2559 13.9784 13.9784 14.2573 14.2573 14.3633 14.3633 15.9066 15.9066 19.9691 19.9691 20.0165 20.0165 20.7569 20.7569 k = 0.5000 0.5000 0.0698 ( 1676 PWs) bands (ev): 1.7551 1.7551 6.6034 6.6034 6.6313 6.6313 7.1650 7.1650 7.1918 7.1918 7.4792 7.4792 7.5035 7.5035 7.6705 7.6705 8.6495 8.6495 9.1047 9.1047 10.6927 10.6927 10.6975 10.6975 11.4787 11.4787 11.8132 11.8132 11.8938 11.8938 12.0265 12.0265 12.1617 12.1617 12.6276 12.6276 12.7891 12.7891 12.9926 12.9926 13.2565 13.2565 13.9749 13.9749 14.2553 14.2553 14.3611 14.3611 15.9074 15.9074 19.8730 19.8730 19.9186 19.9186 20.8235 20.8235 k = 0.5000 0.5000 0.0814 ( 1680 PWs) bands (ev): 1.7686 1.7686 6.5886 6.5886 6.6179 6.6179 7.1746 7.1746 7.1902 7.1902 7.4877 7.4877 7.5096 7.5096 7.6705 7.6705 8.6241 8.6241 9.1027 9.1027 10.7038 10.7038 10.7092 10.7092 11.4907 11.4907 11.8168 11.8168 11.8976 11.8976 12.0345 12.0345 12.1689 12.1689 12.5996 12.5996 12.7700 12.7700 13.0218 13.0218 13.2573 13.2573 13.9709 13.9709 14.2528 14.2528 14.3584 14.3584 15.9086 15.9086 19.7658 19.7658 19.8096 19.8096 20.9010 20.9010 k = 0.5000 0.5000 0.0930 ( 1680 PWs) bands (ev): 1.7841 1.7841 6.5724 6.5724 6.6032 6.6032 7.1850 7.1850 7.1876 7.1876 7.4972 7.4972 7.5163 7.5163 7.6706 7.6706 8.5954 8.5954 9.1005 9.1005 10.7169 10.7169 10.7228 10.7228 11.5045 11.5045 11.8207 11.8207 11.9019 11.9019 12.0437 12.0437 12.1773 12.1773 12.5719 12.5719 12.7488 12.7488 13.0510 13.0510 13.2582 13.2582 13.9661 13.9661 14.2500 14.2500 14.3553 14.3553 15.9103 15.9103 19.6496 19.6496 19.6916 19.6916 20.9888 20.9888 k = 0.5000 0.5000 0.1047 ( 1688 PWs) bands (ev): 1.8016 1.8016 6.5552 6.5552 6.5873 6.5873 7.1839 7.1839 7.1959 7.1959 7.5075 7.5075 7.5231 7.5231 7.6710 7.6710 8.5635 8.5635 9.0981 9.0981 10.7319 10.7319 10.7385 10.7385 11.5200 11.5200 11.8247 11.8247 11.9064 11.9064 12.0541 12.0541 12.1866 12.1866 12.5443 12.5443 12.7257 12.7257 13.0800 13.0800 13.2590 13.2590 13.9607 13.9607 14.2467 14.2467 14.3516 14.3516 15.9125 15.9125 19.5259 19.5259 19.5663 19.5663 21.0866 21.0866 k = 0.5000 0.5000 0.1163 ( 1688 PWs) bands (ev): 1.8211 1.8211 6.5372 6.5372 6.5706 6.5706 7.1789 7.1789 7.2072 7.2072 7.5186 7.5186 7.5299 7.5299 7.6719 7.6719 8.5289 8.5289 9.0955 9.0955 10.7490 10.7490 10.7562 10.7562 11.5373 11.5373 11.8292 11.8292 11.9114 11.9114 12.0655 12.0655 12.1970 12.1970 12.5173 12.5173 12.7009 12.7009 13.1088 13.1088 13.2601 13.2601 13.9545 13.9545 14.2428 14.2428 14.3474 14.3474 15.9155 15.9155 19.3964 19.3964 19.4353 19.4353 20.9141 20.9141 k = 0.5000 0.5000 0.1279 ( 1688 PWs) bands (ev): 1.8424 1.8424 6.5185 6.5185 6.5531 6.5531 7.1723 7.1723 7.2187 7.2187 7.5304 7.5304 7.5364 7.5364 7.6734 7.6734 8.4918 8.4918 9.0929 9.0929 10.7682 10.7682 10.7761 10.7761 11.5562 11.5562 11.8339 11.8339 11.9166 11.9166 12.0779 12.0779 12.2083 12.2083 12.4908 12.4908 12.6748 12.6748 13.1373 13.1373 13.2613 13.2613 13.9475 13.9475 14.2385 14.2385 14.3426 14.3426 15.9192 15.9192 19.2623 19.2623 19.2997 19.2997 20.7187 20.7187 k = 0.5000 0.5000 0.1395 ( 1688 PWs) bands (ev): 1.8656 1.8656 6.4994 6.4994 6.5351 6.5351 7.1641 7.1641 7.2305 7.2305 7.5423 7.5423 7.5426 7.5426 7.6755 7.6755 8.4527 8.4527 9.0901 9.0901 10.7895 10.7895 10.7981 10.7981 11.5768 11.5768 11.8387 11.8387 11.9221 11.9221 12.0913 12.0913 12.2205 12.2205 12.4648 12.4648 12.6477 12.6477 13.1655 13.1655 13.2626 13.2626 13.9398 13.9398 14.2336 14.2336 14.3373 14.3373 15.9237 15.9237 19.1247 19.1247 19.1608 19.1608 20.5272 20.5272 k = 0.5000 0.5000 0.1512 ( 1688 PWs) bands (ev): 1.8906 1.8906 6.4800 6.4800 6.5167 6.5167 7.1539 7.1539 7.2423 7.2423 7.5472 7.5472 7.5551 7.5551 7.6785 7.6785 8.4118 8.4118 9.0873 9.0873 10.8130 10.8130 10.8224 10.8224 11.5990 11.5990 11.8437 11.8437 11.9276 11.9276 12.1055 12.1055 12.2335 12.2335 12.4394 12.4394 12.6198 12.6198 13.1933 13.1933 13.2639 13.2639 13.9313 13.9313 14.2281 14.2281 14.3312 14.3312 15.9291 15.9291 18.9846 18.9846 19.0195 19.0195 20.3398 20.3398 k = 0.5000 0.5000 0.1628 ( 1688 PWs) bands (ev): 1.9173 1.9173 6.4604 6.4604 6.4981 6.4981 7.1417 7.1417 7.2542 7.2542 7.5509 7.5509 7.5679 7.5679 7.6824 7.6824 8.3696 8.3696 9.0845 9.0845 10.8387 10.8387 10.8490 10.8490 11.6228 11.6228 11.8487 11.8487 11.9333 11.9333 12.1204 12.1204 12.2471 12.2471 12.4148 12.4148 12.5914 12.5914 13.2206 13.2206 13.2653 13.2653 13.9219 13.9219 14.2219 14.2219 14.3244 14.3244 15.9352 15.9352 18.8428 18.8428 18.8766 18.8766 20.1566 20.1566 k = 0.5000 0.5000 0.1744 ( 1680 PWs) bands (ev): 1.9457 1.9457 6.4409 6.4409 6.4794 6.4794 7.1274 7.1274 7.2661 7.2661 7.5534 7.5534 7.5807 7.5807 7.6873 7.6873 8.3267 8.3267 9.0819 9.0819 10.8668 10.8668 10.8779 10.8779 11.6479 11.6479 11.8538 11.8538 11.9390 11.9390 12.1360 12.1360 12.2615 12.2615 12.3911 12.3911 12.5630 12.5630 13.2475 13.2475 13.2668 13.2668 13.9118 13.9118 14.2150 14.2150 14.3168 14.3168 15.9421 15.9421 18.7000 18.7000 18.7329 18.7329 19.9778 19.9778 k = 0.5000 0.5000 0.1860 ( 1680 PWs) bands (ev): 1.9757 1.9757 6.4213 6.4213 6.4606 6.4606 7.1104 7.1104 7.2779 7.2779 7.5544 7.5544 7.5935 7.5935 7.6930 7.6930 8.2835 8.2835 9.0792 9.0792 10.8971 10.8971 10.9091 10.9091 11.6746 11.6746 11.8589 11.8589 11.9448 11.9448 12.1519 12.1519 12.2759 12.2759 12.3683 12.3683 12.5346 12.5346 13.2684 13.2684 13.2738 13.2738 13.9006 13.9006 14.2073 14.2073 14.3084 14.3084 15.9498 15.9498 18.5568 18.5568 18.5890 18.5890 19.8035 19.8035 k = 0.5000 0.5000 0.1977 ( 1680 PWs) bands (ev): 2.0073 2.0073 6.4019 6.4019 6.4418 6.4418 7.0906 7.0906 7.2897 7.2897 7.5541 7.5541 7.6061 7.6061 7.6994 7.6994 8.2407 8.2407 9.0766 9.0766 10.9297 10.9297 10.9427 10.9427 11.7026 11.7026 11.8640 11.8640 11.9506 11.9506 12.1680 12.1680 12.2895 12.2895 12.3475 12.3475 12.5067 12.5067 13.2699 13.2699 13.2995 13.2995 13.8884 13.8884 14.1987 14.1987 14.2990 14.2990 15.9583 15.9583 18.4140 18.4140 18.4455 18.4455 19.6338 19.6338 k = 0.5000 0.5000 0.2093 ( 1680 PWs) bands (ev): 2.0403 2.0403 6.3827 6.3827 6.4232 6.4232 7.0679 7.0679 7.3012 7.3012 7.5526 7.5526 7.6186 7.6186 7.7063 7.7063 8.1986 8.1986 9.0742 9.0742 10.9647 10.9647 10.9786 10.9786 11.7320 11.7320 11.8691 11.8691 11.9564 11.9564 12.1841 12.1841 12.2982 12.2982 12.3327 12.3327 12.4796 12.4796 13.2715 13.2715 13.3246 13.3246 13.8753 13.8753 14.1892 14.1892 14.2886 14.2886 15.9674 15.9674 18.2720 18.2720 18.3029 18.3029 19.4689 19.4689 k = 0.5000 0.5000 0.2209 ( 1680 PWs) bands (ev): 2.0747 2.0747 6.3639 6.3639 6.4049 6.4049 7.0420 7.0420 7.3127 7.3127 7.5499 7.5499 7.6307 7.6307 7.7136 7.7136 8.1579 8.1579 9.0720 9.0720 11.0020 11.0020 11.0169 11.0169 11.7625 11.7625 11.8742 11.8742 11.9623 11.9623 12.1997 12.1997 12.2909 12.2909 12.3350 12.3350 12.4538 12.4538 13.2730 13.2730 13.3489 13.3489 13.8611 13.8611 14.1787 14.1787 14.2771 14.2771 15.9772 15.9772 18.1312 18.1312 18.1618 18.1618 19.3088 19.3088 k = 0.5000 0.5000 0.2326 ( 1680 PWs) bands (ev): 2.1103 2.1103 6.3454 6.3454 6.3869 6.3869 7.0128 7.0128 7.3238 7.3238 7.5464 7.5464 7.6425 7.6425 7.7210 7.7210 8.1190 8.1190 9.0699 9.0699 11.0415 11.0415 11.0575 11.0575 11.7941 11.7941 11.8792 11.8792 11.9682 11.9682 12.2144 12.2144 12.2740 12.2740 12.3481 12.3481 12.4297 12.4297 13.2746 13.2746 13.3726 13.3726 13.8458 13.8458 14.1670 14.1670 14.2644 14.2644 15.9876 15.9876 17.9923 17.9923 18.0226 18.0226 19.1538 19.1538 k = 0.5000 0.5000 0.2442 ( 1680 PWs) bands (ev): 2.1470 2.1470 6.3274 6.3274 6.3693 6.3693 6.9802 6.9802 7.3348 7.3348 7.5421 7.5421 7.6538 7.6538 7.7284 7.7284 8.0823 8.0823 9.0680 9.0680 11.0833 11.0833 11.1003 11.1003 11.8264 11.8264 11.8841 11.8841 11.9745 11.9745 12.2274 12.2274 12.2556 12.2556 12.3637 12.3637 12.4083 12.4083 13.2763 13.2763 13.3954 13.3954 13.8294 13.8294 14.1542 14.1542 14.2504 14.2504 15.9984 15.9984 17.8555 17.8555 17.8857 17.8857 19.0040 19.0040 k = 0.5000 0.5000 0.2558 ( 1676 PWs) bands (ev): 2.1847 2.1847 6.3099 6.3099 6.3521 6.3521 6.9443 6.9443 7.3455 7.3455 7.5373 7.5373 7.6647 7.6647 7.7357 7.7357 8.0481 8.0481 9.0665 9.0665 11.1271 11.1271 11.1453 11.1453 11.8591 11.8591 11.8890 11.8890 11.9813 11.9813 12.2374 12.2374 12.2377 12.2377 12.3799 12.3799 12.3909 12.3909 13.2781 13.2781 13.4174 13.4174 13.8118 13.8118 14.1401 14.1401 14.2350 14.2350 16.0095 16.0095 17.7215 17.7215 17.7517 17.7517 18.8595 18.8595 k = 0.5000 0.5000 0.2674 ( 1676 PWs) bands (ev): 2.2233 2.2233 6.2930 6.2930 6.3354 6.3354 6.9049 6.9049 7.3558 7.3558 7.5321 7.5321 7.6750 7.6750 7.7427 7.7427 8.0167 8.0167 9.0651 9.0651 11.1729 11.1729 11.1924 11.1924 11.8914 11.8914 11.8937 11.8937 11.9893 11.9893 12.2204 12.2204 12.2426 12.2426 12.3793 12.3793 12.3964 12.3964 13.2797 13.2797 13.4385 13.4385 13.7932 13.7932 14.1246 14.1246 14.2180 14.2180 16.0209 16.0209 17.5906 17.5906 17.6209 17.6209 18.7205 18.7205 k = 0.5000 0.5000 0.2791 ( 1676 PWs) bands (ev): 2.2625 2.2625 6.2766 6.2766 6.3192 6.3192 6.8625 6.8625 7.3658 7.3658 7.5266 7.5266 7.6848 7.6848 7.7492 7.7492 7.9882 7.9882 9.0639 9.0639 11.2206 11.2206 11.2415 11.2415 11.8983 11.8983 11.9214 11.9214 12.0003 12.0003 12.2040 12.2040 12.2415 12.2415 12.3750 12.3750 12.4127 12.4127 13.2813 13.2813 13.4585 13.4585 13.7735 13.7735 14.1076 14.1076 14.1995 14.1995 16.0326 16.0326 17.4631 17.4631 17.4937 17.4937 18.5872 18.5872 k = 0.5000 0.5000 0.2907 ( 1676 PWs) bands (ev): 2.3023 2.3023 6.2609 6.2609 6.3036 6.3036 6.8172 6.8172 7.3754 7.3754 7.5209 7.5209 7.6941 7.6941 7.7553 7.7553 7.9626 7.9626 9.0630 9.0630 11.2699 11.2699 11.2924 11.2924 11.9027 11.9027 11.9461 11.9461 12.0173 12.0173 12.1887 12.1887 12.2343 12.2343 12.3779 12.3780 12.4289 12.4289 13.2828 13.2828 13.4774 13.4774 13.7527 13.7527 14.0891 14.0891 14.1792 14.1792 16.0443 16.0443 17.3395 17.3395 17.3706 17.3706 18.4596 18.4596 k = 0.5000 0.5000 0.3023 ( 1668 PWs) bands (ev): 2.3424 2.3424 6.2459 6.2459 6.2887 6.2887 6.7695 6.7695 7.3847 7.3847 7.5153 7.5153 7.7028 7.7028 7.7608 7.7608 7.9401 7.9401 9.0624 9.0624 11.3208 11.3208 11.3449 11.3449 11.9071 11.9071 11.9627 11.9627 12.0429 12.0429 12.1749 12.1749 12.2226 12.2226 12.3864 12.3864 12.4447 12.4447 13.2843 13.2843 13.4949 13.4949 13.7312 13.7312 14.0689 14.0689 14.1572 14.1572 16.0562 16.0562 17.2203 17.2203 17.2519 17.2519 18.3380 18.3380 k = 0.5000 0.5000 0.3140 ( 1684 PWs) bands (ev): 2.3825 2.3825 6.2315 6.2315 6.2743 6.2743 6.7198 6.7198 7.3934 7.3934 7.5096 7.5096 7.7108 7.7108 7.7656 7.7656 7.9201 7.9201 9.0619 9.0619 11.3728 11.3728 11.3989 11.3989 11.9110 11.9110 11.9723 11.9723 12.0746 12.0746 12.1624 12.1624 12.2086 12.2086 12.3981 12.3981 12.4600 12.4600 13.2854 13.2854 13.5107 13.5107 13.7087 13.7087 14.0469 14.0469 14.1332 14.1332 16.0678 16.0678 17.1057 17.1057 17.1381 17.1381 18.2225 18.2225 k = 0.5000 0.5000 0.3256 ( 1684 PWs) bands (ev): 2.4226 2.4226 6.2179 6.2179 6.2607 6.2607 6.6689 6.6689 7.4017 7.4017 7.5042 7.5042 7.7184 7.7184 7.7699 7.7699 7.9028 7.9028 9.0617 9.0617 11.4258 11.4258 11.4540 11.4540 11.9148 11.9148 11.9783 11.9783 12.1083 12.1083 12.1536 12.1536 12.1938 12.1938 12.4119 12.4119 12.4749 12.4749 13.2867 13.2867 13.5245 13.5245 13.6863 13.6863 14.0233 14.0233 14.1073 14.1073 16.0792 16.0792 16.9963 16.9963 17.0295 17.0295 18.1132 18.1132 k = 0.5000 0.5000 0.3372 ( 1676 PWs) bands (ev): 2.4623 2.4623 6.2050 6.2050 6.2477 6.2477 6.6173 6.6173 7.4096 7.4096 7.4991 7.4991 7.7255 7.7255 7.7734 7.7734 7.8882 7.8882 9.0618 9.0618 11.4793 11.4793 11.5100 11.5100 11.9186 11.9186 11.9823 11.9823 12.1281 12.1281 12.1625 12.1625 12.1790 12.1790 12.4268 12.4268 12.4892 12.4892 13.2880 13.2880 13.5352 13.5352 13.6648 13.6648 13.9979 13.9979 14.0796 14.0796 16.0904 16.0904 16.8924 16.8924 16.9266 16.9266 18.0103 18.0103 k = 0.5000 0.5000 0.3488 ( 1684 PWs) bands (ev): 2.5013 2.5013 6.1929 6.1929 6.2354 6.2354 6.5655 6.5655 7.4169 7.4169 7.4942 7.4942 7.7318 7.7318 7.7761 7.7761 7.8757 7.8757 9.0619 9.0619 11.5330 11.5330 11.5663 11.5663 11.9218 11.9218 11.9847 11.9847 12.1244 12.1244 12.1649 12.1649 12.1971 12.1971 12.4421 12.4421 12.5028 12.5028 13.2890 13.2890 13.5406 13.5406 13.6462 13.6462 13.9709 13.9709 14.0500 14.0500 16.1011 16.1011 16.7942 16.7942 16.8297 16.8297 17.9139 17.9139 k = 0.5000 0.5000 0.3605 ( 1680 PWs) bands (ev): 2.5394 2.5394 6.1817 6.1817 6.2237 6.2237 6.5144 6.5144 7.4239 7.4239 7.4896 7.4896 7.7377 7.7377 7.7781 7.7781 7.8654 7.8654 9.0623 9.0623 11.5864 11.5864 11.6228 11.6228 11.9250 11.9250 11.9864 11.9864 12.1180 12.1180 12.1520 12.1520 12.2368 12.2368 12.4578 12.4578 12.5157 12.5157 13.2900 13.2900 13.5377 13.5377 13.6338 13.6338 13.9424 13.9424 14.0187 14.0187 16.1114 16.1114 16.7023 16.7023 16.7390 16.7390 17.8242 17.8242 k = 0.5000 0.5000 0.3721 ( 1680 PWs) bands (ev): 2.5763 2.5763 6.1713 6.1713 6.2128 6.2128 6.4645 6.4645 7.4302 7.4302 7.4854 7.4854 7.7431 7.7431 7.7792 7.7792 7.8572 7.8572 9.0627 9.0627 11.6389 11.6389 11.6786 11.6786 11.9277 11.9277 11.9875 11.9875 12.1120 12.1120 12.1402 12.1402 12.2776 12.2776 12.4735 12.4735 12.5277 12.5277 13.2909 13.2909 13.5245 13.5245 13.6297 13.6297 13.9126 13.9126 13.9859 13.9859 16.1210 16.1210 16.6169 16.6169 16.6551 16.6551 17.7412 17.7412 k = 0.5000 0.5000 0.3837 ( 1680 PWs) bands (ev): 2.6116 2.6116 6.1617 6.1617 6.2024 6.2024 6.4166 6.4166 7.4360 7.4360 7.4816 7.4816 7.7479 7.7479 7.7796 7.7796 7.8507 7.8507 9.0633 9.0633 11.6897 11.6897 11.7329 11.7329 11.9302 11.9302 11.9887 11.9887 12.1071 12.1071 12.1300 12.1300 12.3186 12.3186 12.4891 12.4891 12.5388 12.5388 13.2917 13.2917 13.5034 13.5034 13.6316 13.6316 13.8818 13.8818 13.9518 13.9518 16.1300 16.1300 16.5383 16.5383 16.5780 16.5780 17.6651 17.6651 k = 0.5000 0.5000 0.3953 ( 1680 PWs) bands (ev): 2.6450 2.6450 6.1530 6.1530 6.1926 6.1926 6.3714 6.3714 7.4412 7.4412 7.4781 7.4781 7.7522 7.7522 7.7792 7.7792 7.8458 7.8458 9.0640 9.0640 11.7382 11.7382 11.7848 11.7848 11.9324 11.9324 11.9905 11.9905 12.1031 12.1031 12.1215 12.1215 12.3592 12.3592 12.5047 12.5047 12.5489 12.5489 13.2924 13.2924 13.4777 13.4777 13.6363 13.6363 13.8506 13.8506 13.9170 13.9170 16.1382 16.1382 16.4666 16.4666 16.5081 16.5081 17.5960 17.5960 k = 0.5000 0.5000 0.4070 ( 1680 PWs) bands (ev): 2.6762 2.6762 6.1451 6.1451 6.1832 6.1832 6.3296 6.3296 7.4459 7.4459 7.4750 7.4750 7.7560 7.7560 7.7783 7.7783 7.8423 7.8423 9.0646 9.0646 11.7835 11.7835 11.8323 11.8323 11.9342 11.9342 11.9943 11.9943 12.1001 12.1001 12.1150 12.1150 12.3990 12.3990 12.5199 12.5199 12.5581 12.5581 13.2928 13.2928 13.4499 13.4499 13.6417 13.6417 13.8195 13.8195 13.8821 13.8821 16.1455 16.1455 16.4022 16.4022 16.4456 16.4456 17.5340 17.5340 k = 0.5000 0.5000 0.4186 ( 1680 PWs) bands (ev): 2.7048 2.7048 6.1382 6.1382 6.1739 6.1739 6.2921 6.2921 7.4500 7.4500 7.4723 7.4723 7.7594 7.7594 7.7770 7.7770 7.8399 7.8399 9.0653 9.0653 11.8246 11.8246 11.8729 11.8729 11.9358 11.9358 12.0022 12.0022 12.0978 12.0978 12.1106 12.1106 12.4373 12.4373 12.5348 12.5348 12.5662 12.5662 13.2932 13.2932 13.4214 13.4214 13.6465 13.6465 13.7896 13.7896 13.8476 13.8476 16.1517 16.1517 16.3452 16.3452 16.3907 16.3907 17.4791 17.4791 k = 0.5000 0.5000 0.4302 ( 1680 PWs) bands (ev): 2.7304 2.7304 6.1321 6.1321 6.1645 6.1645 6.2598 6.2598 7.4536 7.4536 7.4700 7.4700 7.7623 7.7623 7.7756 7.7756 7.8382 7.8382 9.0660 9.0660 11.8605 11.8605 11.9030 11.9030 11.9370 11.9370 12.0168 12.0168 12.0962 12.0962 12.1087 12.1087 12.4735 12.4735 12.5492 12.5492 12.5732 12.5732 13.2933 13.2933 13.3933 13.3933 13.6497 13.6497 13.7621 13.7621 13.8145 13.8145 16.1567 16.1567 16.2957 16.2957 16.3435 16.3435 17.4314 17.4314 k = 0.5000 0.5000 0.4419 ( 1680 PWs) bands (ev): 2.7528 2.7528 6.1270 6.1270 6.1543 6.1543 6.2336 6.2336 7.4566 7.4566 7.4680 7.4680 7.7647 7.7647 7.7741 7.7741 7.8371 7.8371 9.0666 9.0666 11.8905 11.8905 11.9212 11.9212 11.9381 11.9381 12.0388 12.0388 12.0950 12.0950 12.1091 12.1091 12.5069 12.5069 12.5626 12.5626 12.5792 12.5792 13.2933 13.2933 13.3666 13.3666 13.6503 13.6503 13.7386 13.7386 13.7837 13.7837 16.1603 16.1603 16.2537 16.2537 16.3044 16.3044 17.3910 17.3910 k = 0.5000 0.5000 0.4535 ( 1680 PWs) bands (ev): 2.7716 2.7716 6.1228 6.1228 6.1435 6.1435 6.2140 6.2140 7.4591 7.4591 7.4664 7.4664 7.7666 7.7666 7.7728 7.7728 7.8364 7.8364 9.0671 9.0671 11.9138 11.9138 11.9306 11.9306 11.9390 11.9390 12.0642 12.0642 12.0942 12.0942 12.1115 12.1115 12.5363 12.5363 12.5749 12.5749 12.5842 12.5842 13.2931 13.2931 13.3424 13.3424 13.6472 13.6472 13.7211 13.7211 13.7564 13.7564 16.1622 16.1622 16.2193 16.2193 16.2734 16.2734 17.3578 17.3578 k = 0.5000 0.5000 0.4651 ( 1672 PWs) bands (ev): 2.7865 2.7865 6.1196 6.1196 6.1328 6.1328 6.2008 6.2008 7.4611 7.4611 7.4652 7.4652 7.7681 7.7681 7.7717 7.7717 7.8360 7.8360 9.0677 9.0677 11.9302 11.9302 11.9352 11.9352 11.9405 11.9405 12.0883 12.0883 12.0937 12.0937 12.1154 12.1154 12.5606 12.5606 12.5853 12.5853 12.5884 12.5884 13.2929 13.2929 13.3218 13.3218 13.6407 13.6407 13.7105 13.7105 13.7337 13.7337 16.1623 16.1623 16.1926 16.1926 16.2509 16.2509 17.3321 17.3321 k = 0.5000 0.5000 0.4767 ( 1656 PWs) bands (ev): 2.7973 2.7973 6.1174 6.1174 6.1238 6.1238 6.1928 6.1928 7.4625 7.4625 7.4644 7.4644 7.7693 7.7693 7.7709 7.7709 7.8359 7.8359 9.0683 9.0683 11.9373 11.9373 11.9375 11.9375 11.9454 11.9454 12.0935 12.0935 12.1075 12.1075 12.1195 12.1195 12.5779 12.5779 12.5925 12.5925 12.5933 12.5933 13.2928 13.2928 13.3061 13.3061 13.6329 13.6329 13.7052 13.7052 13.7166 13.7166 16.1610 16.1610 16.1736 16.1736 16.2364 16.2364 17.3138 17.3138 k = 0.5000 0.5000 0.4884 ( 1640 PWs) bands (ev): 2.8039 2.8039 6.1162 6.1162 6.1179 6.1179 6.1885 6.1885 7.4634 7.4634 7.4639 7.4639 7.7700 7.7700 7.7704 7.7704 7.8358 7.8358 9.0687 9.0687 11.9386 11.9386 11.9386 11.9386 11.9510 11.9510 12.0935 12.0935 12.1197 12.1197 12.1228 12.1228 12.5862 12.5862 12.5975 12.5975 12.5984 12.5984 13.2927 13.2927 13.2961 13.2961 13.6269 13.6269 13.7031 13.7031 13.7061 13.7061 16.1593 16.1593 16.1623 16.1623 16.2287 16.2287 17.3028 17.3028 k = 0.5000 0.5000 0.5000 ( 1640 PWs) bands (ev): 2.8061 2.8061 6.1157 6.1157 6.1157 6.1157 6.1871 6.1871 7.4637 7.4637 7.4637 7.4637 7.7703 7.7703 7.7703 7.7703 7.8358 7.8358 9.0688 9.0688 11.9389 11.9389 11.9389 11.9389 11.9529 11.9529 12.0934 12.0934 12.1239 12.1239 12.1239 12.1239 12.5880 12.5880 12.6002 12.6002 12.6002 12.6002 13.2926 13.2926 13.2926 13.2926 13.6247 13.6247 13.7025 13.7025 13.7025 13.7025 16.1585 16.1585 16.1585 16.1585 16.2263 16.2263 17.2991 17.2991 Writing output data file ZnNi3C.save init_run : 0.28s CPU 0.50s WALL ( 1 calls) electrons : 85.24s CPU 88.15s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 85.24s CPU 88.15s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 332 calls) cegterg : 76.90s CPU 78.42s WALL ( 339 calls) Called by sum_band: Called by *egterg: h_psi : 37.16s CPU 38.32s WALL ( 5101 calls) s_psi : 4.01s CPU 4.05s WALL ( 5101 calls) g_psi : 0.06s CPU 0.08s WALL ( 4430 calls) cdiaghg : 35.60s CPU 35.99s WALL ( 4762 calls) cegterg:over : 3.05s CPU 3.10s WALL ( 4430 calls) cegterg:upda : 1.65s CPU 1.71s WALL ( 4430 calls) cegterg:last : 1.28s CPU 1.35s WALL ( 1003 calls) cdiaghg:chol : 1.90s CPU 1.93s WALL ( 4762 calls) cdiaghg:inve : 1.23s CPU 1.34s WALL ( 4762 calls) cdiaghg:para : 2.26s CPU 2.19s WALL ( 9524 calls) Called by h_psi: h_psi:vloc : 28.52s CPU 29.54s WALL ( 5101 calls) h_psi:vnl : 8.59s CPU 8.70s WALL ( 5101 calls) add_vuspsi : 4.63s CPU 4.74s WALL ( 5101 calls) General routines calbec : 3.96s CPU 3.94s WALL ( 5101 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 26.68s CPU 27.58s WALL ( 733176 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.08s CPU 0.12s WALL ( 664 calls) Parallel routines fft_scatter : 14.36s CPU 14.94s WALL ( 733199 calls) PWSCF : 1m37.53s CPU 2m 1.75s WALL This run was terminated on: 17:10:52 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=