Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:13:42 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: ./Fe3Pd.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S 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 62 27 8 2240 631 104 Max 63 28 9 2247 646 107 Sum 2241 973 293 80725 22983 3791 bravais-lattice index = 14 lattice parameter (alat) = 7.2150 a.u. unit-cell volume = 375.5816 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 42.00 number of Kohn-Sham states= 50 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.214974 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.000000 ) PseudoPot. # 1 for Fe read from file: /users/gautes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Pd 18.00 106.42000 Pd( 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= 322 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 2) = ( 0.0000000 0.0119048 -0.0000000), wk = 0.0031056 k( 3) = ( 0.0000000 0.0238095 -0.0000000), wk = 0.0031056 k( 4) = ( 0.0000000 0.0357143 -0.0000000), wk = 0.0031056 k( 5) = ( 0.0000000 0.0476191 -0.0000000), wk = 0.0031056 k( 6) = ( 0.0000000 0.0595238 -0.0000000), wk = 0.0031056 k( 7) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0031056 k( 8) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0031056 k( 9) = ( 0.0000000 0.0952381 -0.0000000), wk = 0.0031056 k( 10) = ( 0.0000000 0.1071429 -0.0000000), wk = 0.0031056 k( 11) = ( 0.0000000 0.1190476 -0.0000000), wk = 0.0031056 k( 12) = ( 0.0000000 0.1309524 -0.0000000), wk = 0.0031056 k( 13) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0031056 k( 14) = ( 0.0000000 0.1547619 -0.0000000), wk = 0.0031056 k( 15) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0031056 k( 16) = ( 0.0000000 0.1785714 -0.0000000), wk = 0.0031056 k( 17) = ( 0.0000000 0.1904762 -0.0000000), wk = 0.0031056 k( 18) = ( 0.0000000 0.2023810 -0.0000000), wk = 0.0031056 k( 19) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0031056 k( 20) = ( 0.0000000 0.2261905 -0.0000000), wk = 0.0031056 k( 21) = ( 0.0000000 0.2380952 -0.0000000), wk = 0.0031056 k( 22) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0031056 k( 23) = ( 0.0000000 0.2619048 -0.0000000), wk = 0.0031056 k( 24) = ( 0.0000000 0.2738095 -0.0000000), wk = 0.0031056 k( 25) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0031056 k( 26) = ( 0.0000000 0.2976190 -0.0000000), wk = 0.0031056 k( 27) = ( 0.0000000 0.3095238 -0.0000000), wk = 0.0031056 k( 28) = ( 0.0000000 0.3214286 -0.0000000), wk = 0.0031056 k( 29) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0031056 k( 30) = ( 0.0000000 0.3452381 -0.0000000), wk = 0.0031056 k( 31) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0031056 k( 32) = ( 0.0000000 0.3690476 -0.0000000), wk = 0.0031056 k( 33) = ( 0.0000000 0.3809524 -0.0000000), wk = 0.0031056 k( 34) = ( 0.0000000 0.3928571 -0.0000000), wk = 0.0031056 k( 35) = ( 0.0000000 0.4047619 -0.0000000), wk = 0.0031056 k( 36) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0031056 k( 37) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0031056 k( 38) = ( 0.0000000 0.4404762 -0.0000000), wk = 0.0031056 k( 39) = ( 0.0000000 0.4523810 -0.0000000), wk = 0.0031056 k( 40) = ( 0.0000000 0.4642857 -0.0000000), wk = 0.0031056 k( 41) = ( 0.0000000 0.4761905 -0.0000000), wk = 0.0031056 k( 42) = ( 0.0000000 0.4880952 -0.0000000), wk = 0.0031056 k( 43) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031056 k( 44) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031056 k( 45) = ( 0.0119048 0.5000000 -0.0000000), wk = 0.0031056 k( 46) = ( 0.0238095 0.5000000 -0.0000000), wk = 0.0031056 k( 47) = ( 0.0357143 0.5000000 -0.0000000), wk = 0.0031056 k( 48) = ( 0.0476191 0.5000000 -0.0000000), wk = 0.0031056 k( 49) = ( 0.0595238 0.5000000 -0.0000000), wk = 0.0031056 k( 50) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0031056 k( 51) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0031056 k( 52) = ( 0.0952381 0.5000000 -0.0000000), wk = 0.0031056 k( 53) = ( 0.1071429 0.5000000 -0.0000000), wk = 0.0031056 k( 54) = ( 0.1190476 0.5000000 -0.0000000), wk = 0.0031056 k( 55) = ( 0.1309524 0.5000000 -0.0000000), wk = 0.0031056 k( 56) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0031056 k( 57) = ( 0.1547619 0.5000000 -0.0000000), wk = 0.0031056 k( 58) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0031056 k( 59) = ( 0.1785714 0.5000000 -0.0000000), wk = 0.0031056 k( 60) = ( 0.1904762 0.5000000 -0.0000000), wk = 0.0031056 k( 61) = ( 0.2023810 0.5000000 -0.0000000), wk = 0.0031056 k( 62) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0031056 k( 63) = ( 0.2261905 0.5000000 -0.0000000), wk = 0.0031056 k( 64) = ( 0.2380952 0.5000000 -0.0000000), wk = 0.0031056 k( 65) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0031056 k( 66) = ( 0.2619048 0.5000000 -0.0000000), wk = 0.0031056 k( 67) = ( 0.2738095 0.5000000 -0.0000000), wk = 0.0031056 k( 68) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0031056 k( 69) = ( 0.2976190 0.5000000 -0.0000000), wk = 0.0031056 k( 70) = ( 0.3095238 0.5000000 -0.0000000), wk = 0.0031056 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0031056 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0031056 k( 73) = ( 0.3452381 0.5000000 -0.0000000), wk = 0.0031056 k( 74) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0031056 k( 75) = ( 0.3690476 0.5000000 -0.0000000), wk = 0.0031056 k( 76) = ( 0.3809524 0.5000000 -0.0000000), wk = 0.0031056 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0031056 k( 78) = ( 0.4047619 0.5000000 -0.0000000), wk = 0.0031056 k( 79) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0031056 k( 80) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0031056 k( 81) = ( 0.4404762 0.5000000 -0.0000000), wk = 0.0031056 k( 82) = ( 0.4523810 0.5000000 -0.0000000), wk = 0.0031056 k( 83) = ( 0.4642857 0.5000000 -0.0000000), wk = 0.0031056 k( 84) = ( 0.4761905 0.5000000 -0.0000000), wk = 0.0031056 k( 85) = ( 0.4880952 0.5000000 -0.0000000), wk = 0.0031056 k( 86) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031056 k( 87) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031056 k( 88) = ( 0.4915254 0.4915254 -0.0000000), wk = 0.0031056 k( 89) = ( 0.4830508 0.4830508 -0.0000000), wk = 0.0031056 k( 90) = ( 0.4745763 0.4745763 -0.0000000), wk = 0.0031056 k( 91) = ( 0.4661017 0.4661017 -0.0000000), wk = 0.0031056 k( 92) = ( 0.4576271 0.4576271 -0.0000000), wk = 0.0031056 k( 93) = ( 0.4491525 0.4491525 -0.0000000), wk = 0.0031056 k( 94) = ( 0.4406780 0.4406780 -0.0000000), wk = 0.0031056 k( 95) = ( 0.4322034 0.4322034 -0.0000000), wk = 0.0031056 k( 96) = ( 0.4237288 0.4237288 -0.0000000), wk = 0.0031056 k( 97) = ( 0.4152542 0.4152542 -0.0000000), wk = 0.0031056 k( 98) = ( 0.4067797 0.4067797 -0.0000000), wk = 0.0031056 k( 99) = ( 0.3983051 0.3983051 -0.0000000), wk = 0.0031056 k( 100) = ( 0.3898305 0.3898305 -0.0000000), wk = 0.0031056 k( 101) = ( 0.3813559 0.3813559 -0.0000000), wk = 0.0031056 k( 102) = ( 0.3728814 0.3728814 -0.0000000), wk = 0.0031056 k( 103) = ( 0.3644068 0.3644068 -0.0000000), wk = 0.0031056 k( 104) = ( 0.3559322 0.3559322 -0.0000000), wk = 0.0031056 k( 105) = ( 0.3474576 0.3474576 -0.0000000), wk = 0.0031056 k( 106) = ( 0.3389831 0.3389830 -0.0000000), wk = 0.0031056 k( 107) = ( 0.3305085 0.3305085 -0.0000000), wk = 0.0031056 k( 108) = ( 0.3220339 0.3220339 -0.0000000), wk = 0.0031056 k( 109) = ( 0.3135593 0.3135593 -0.0000000), wk = 0.0031056 k( 110) = ( 0.3050848 0.3050847 -0.0000000), wk = 0.0031056 k( 111) = ( 0.2966102 0.2966102 -0.0000000), wk = 0.0031056 k( 112) = ( 0.2881356 0.2881356 -0.0000000), wk = 0.0031056 k( 113) = ( 0.2796610 0.2796610 -0.0000000), wk = 0.0031056 k( 114) = ( 0.2711864 0.2711864 -0.0000000), wk = 0.0031056 k( 115) = ( 0.2627119 0.2627119 -0.0000000), wk = 0.0031056 k( 116) = ( 0.2542373 0.2542373 -0.0000000), wk = 0.0031056 k( 117) = ( 0.2457627 0.2457627 -0.0000000), wk = 0.0031056 k( 118) = ( 0.2372881 0.2372881 -0.0000000), wk = 0.0031056 k( 119) = ( 0.2288136 0.2288136 -0.0000000), wk = 0.0031056 k( 120) = ( 0.2203390 0.2203390 -0.0000000), wk = 0.0031056 k( 121) = ( 0.2118644 0.2118644 -0.0000000), wk = 0.0031056 k( 122) = ( 0.2033898 0.2033898 -0.0000000), wk = 0.0031056 k( 123) = ( 0.1949153 0.1949152 -0.0000000), wk = 0.0031056 k( 124) = ( 0.1864407 0.1864407 -0.0000000), wk = 0.0031056 k( 125) = ( 0.1779661 0.1779661 -0.0000000), wk = 0.0031056 k( 126) = ( 0.1694915 0.1694915 -0.0000000), wk = 0.0031056 k( 127) = ( 0.1610169 0.1610169 -0.0000000), wk = 0.0031056 k( 128) = ( 0.1525424 0.1525424 -0.0000000), wk = 0.0031056 k( 129) = ( 0.1440678 0.1440678 -0.0000000), wk = 0.0031056 k( 130) = ( 0.1355932 0.1355932 -0.0000000), wk = 0.0031056 k( 131) = ( 0.1271186 0.1271186 -0.0000000), wk = 0.0031056 k( 132) = ( 0.1186441 0.1186441 -0.0000000), wk = 0.0031056 k( 133) = ( 0.1101695 0.1101695 -0.0000000), wk = 0.0031056 k( 134) = ( 0.1016949 0.1016949 -0.0000000), wk = 0.0031056 k( 135) = ( 0.0932203 0.0932203 -0.0000000), wk = 0.0031056 k( 136) = ( 0.0847458 0.0847458 -0.0000000), wk = 0.0031056 k( 137) = ( 0.0762712 0.0762712 -0.0000000), wk = 0.0031056 k( 138) = ( 0.0677966 0.0677966 -0.0000000), wk = 0.0031056 k( 139) = ( 0.0593220 0.0593220 -0.0000000), wk = 0.0031056 k( 140) = ( 0.0508475 0.0508475 -0.0000000), wk = 0.0031056 k( 141) = ( 0.0423729 0.0423729 -0.0000000), wk = 0.0031056 k( 142) = ( 0.0338983 0.0338983 -0.0000000), wk = 0.0031056 k( 143) = ( 0.0254237 0.0254237 -0.0000000), wk = 0.0031056 k( 144) = ( 0.0169491 0.0169491 -0.0000000), wk = 0.0031056 k( 145) = ( 0.0084746 0.0084746 -0.0000000), wk = 0.0031056 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 148) = ( 0.0069444 0.0069444 0.0069444), wk = 0.0031056 k( 149) = ( 0.0138889 0.0138889 0.0138889), wk = 0.0031056 k( 150) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0031056 k( 151) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0031056 k( 152) = ( 0.0347222 0.0347222 0.0347222), wk = 0.0031056 k( 153) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0031056 k( 154) = ( 0.0486111 0.0486111 0.0486111), wk = 0.0031056 k( 155) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0031056 k( 156) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0031056 k( 157) = ( 0.0694444 0.0694444 0.0694444), wk = 0.0031056 k( 158) = ( 0.0763889 0.0763889 0.0763889), wk = 0.0031056 k( 159) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0031056 k( 160) = ( 0.0902778 0.0902778 0.0902778), wk = 0.0031056 k( 161) = ( 0.0972222 0.0972222 0.0972222), wk = 0.0031056 k( 162) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0031056 k( 163) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0031056 k( 164) = ( 0.1180556 0.1180556 0.1180556), wk = 0.0031056 k( 165) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0031056 k( 166) = ( 0.1319444 0.1319444 0.1319444), wk = 0.0031056 k( 167) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0031056 k( 168) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0031056 k( 169) = ( 0.1527778 0.1527778 0.1527778), wk = 0.0031056 k( 170) = ( 0.1597222 0.1597222 0.1597222), wk = 0.0031056 k( 171) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0031056 k( 172) = ( 0.1736111 0.1736111 0.1736111), wk = 0.0031056 k( 173) = ( 0.1805556 0.1805556 0.1805556), wk = 0.0031056 k( 174) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0031056 k( 175) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0031056 k( 176) = ( 0.2013889 0.2013889 0.2013889), wk = 0.0031056 k( 177) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0031056 k( 178) = ( 0.2152778 0.2152778 0.2152778), wk = 0.0031056 k( 179) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0031056 k( 180) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0031056 k( 181) = ( 0.2361111 0.2361111 0.2361111), wk = 0.0031056 k( 182) = ( 0.2430556 0.2430556 0.2430556), wk = 0.0031056 k( 183) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031056 k( 184) = ( 0.2569444 0.2569444 0.2569444), wk = 0.0031056 k( 185) = ( 0.2638889 0.2638889 0.2638889), wk = 0.0031056 k( 186) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0031056 k( 187) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0031056 k( 188) = ( 0.2847222 0.2847222 0.2847222), wk = 0.0031056 k( 189) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0031056 k( 190) = ( 0.2986111 0.2986111 0.2986111), wk = 0.0031056 k( 191) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0031056 k( 192) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0031056 k( 193) = ( 0.3194444 0.3194444 0.3194444), wk = 0.0031056 k( 194) = ( 0.3263889 0.3263889 0.3263889), wk = 0.0031056 k( 195) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0031056 k( 196) = ( 0.3402778 0.3402778 0.3402778), wk = 0.0031056 k( 197) = ( 0.3472222 0.3472222 0.3472222), wk = 0.0031056 k( 198) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0031056 k( 199) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0031056 k( 200) = ( 0.3680556 0.3680556 0.3680556), wk = 0.0031056 k( 201) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0031056 k( 202) = ( 0.3819444 0.3819444 0.3819444), wk = 0.0031056 k( 203) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0031056 k( 204) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0031056 k( 205) = ( 0.4027778 0.4027778 0.4027778), wk = 0.0031056 k( 206) = ( 0.4097222 0.4097222 0.4097222), wk = 0.0031056 k( 207) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0031056 k( 208) = ( 0.4236111 0.4236111 0.4236111), wk = 0.0031056 k( 209) = ( 0.4305556 0.4305556 0.4305556), wk = 0.0031056 k( 210) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0031056 k( 211) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0031056 k( 212) = ( 0.4513889 0.4513889 0.4513889), wk = 0.0031056 k( 213) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0031056 k( 214) = ( 0.4652778 0.4652778 0.4652778), wk = 0.0031056 k( 215) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0031056 k( 216) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0031056 k( 217) = ( 0.4861111 0.4861111 0.4861111), wk = 0.0031056 k( 218) = ( 0.4930556 0.4930556 0.4930556), wk = 0.0031056 k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 220) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 221) = ( 0.4915254 0.5000000 0.4915254), wk = 0.0031056 k( 222) = ( 0.4830508 0.5000000 0.4830508), wk = 0.0031056 k( 223) = ( 0.4745763 0.5000000 0.4745763), wk = 0.0031056 k( 224) = ( 0.4661017 0.5000000 0.4661017), wk = 0.0031056 k( 225) = ( 0.4576271 0.5000000 0.4576271), wk = 0.0031056 k( 226) = ( 0.4491525 0.5000000 0.4491525), wk = 0.0031056 k( 227) = ( 0.4406780 0.5000000 0.4406780), wk = 0.0031056 k( 228) = ( 0.4322034 0.5000000 0.4322034), wk = 0.0031056 k( 229) = ( 0.4237288 0.5000000 0.4237288), wk = 0.0031056 k( 230) = ( 0.4152542 0.5000000 0.4152542), wk = 0.0031056 k( 231) = ( 0.4067797 0.5000000 0.4067797), wk = 0.0031056 k( 232) = ( 0.3983051 0.5000000 0.3983051), wk = 0.0031056 k( 233) = ( 0.3898305 0.5000000 0.3898305), wk = 0.0031056 k( 234) = ( 0.3813559 0.5000000 0.3813559), wk = 0.0031056 k( 235) = ( 0.3728814 0.5000000 0.3728814), wk = 0.0031056 k( 236) = ( 0.3644068 0.5000000 0.3644068), wk = 0.0031056 k( 237) = ( 0.3559322 0.5000000 0.3559322), wk = 0.0031056 k( 238) = ( 0.3474576 0.5000000 0.3474576), wk = 0.0031056 k( 239) = ( 0.3389831 0.5000000 0.3389830), wk = 0.0031056 k( 240) = ( 0.3305085 0.5000000 0.3305085), wk = 0.0031056 k( 241) = ( 0.3220339 0.5000000 0.3220339), wk = 0.0031056 k( 242) = ( 0.3135593 0.5000000 0.3135593), wk = 0.0031056 k( 243) = ( 0.3050848 0.5000000 0.3050847), wk = 0.0031056 k( 244) = ( 0.2966102 0.5000000 0.2966102), wk = 0.0031056 k( 245) = ( 0.2881356 0.5000000 0.2881356), wk = 0.0031056 k( 246) = ( 0.2796610 0.5000000 0.2796610), wk = 0.0031056 k( 247) = ( 0.2711864 0.5000000 0.2711864), wk = 0.0031056 k( 248) = ( 0.2627119 0.5000000 0.2627119), wk = 0.0031056 k( 249) = ( 0.2542373 0.5000000 0.2542373), wk = 0.0031056 k( 250) = ( 0.2457627 0.5000000 0.2457627), wk = 0.0031056 k( 251) = ( 0.2372881 0.5000000 0.2372881), wk = 0.0031056 k( 252) = ( 0.2288136 0.5000000 0.2288136), wk = 0.0031056 k( 253) = ( 0.2203390 0.5000000 0.2203390), wk = 0.0031056 k( 254) = ( 0.2118644 0.5000000 0.2118644), wk = 0.0031056 k( 255) = ( 0.2033898 0.5000000 0.2033898), wk = 0.0031056 k( 256) = ( 0.1949153 0.5000000 0.1949152), wk = 0.0031056 k( 257) = ( 0.1864407 0.5000000 0.1864407), wk = 0.0031056 k( 258) = ( 0.1779661 0.5000000 0.1779661), wk = 0.0031056 k( 259) = ( 0.1694915 0.5000000 0.1694915), wk = 0.0031056 k( 260) = ( 0.1610169 0.5000000 0.1610169), wk = 0.0031056 k( 261) = ( 0.1525424 0.5000000 0.1525424), wk = 0.0031056 k( 262) = ( 0.1440678 0.5000000 0.1440678), wk = 0.0031056 k( 263) = ( 0.1355932 0.5000000 0.1355932), wk = 0.0031056 k( 264) = ( 0.1271186 0.5000000 0.1271186), wk = 0.0031056 k( 265) = ( 0.1186441 0.5000000 0.1186441), wk = 0.0031056 k( 266) = ( 0.1101695 0.5000000 0.1101695), wk = 0.0031056 k( 267) = ( 0.1016949 0.5000000 0.1016949), wk = 0.0031056 k( 268) = ( 0.0932203 0.5000000 0.0932203), wk = 0.0031056 k( 269) = ( 0.0847458 0.5000000 0.0847458), wk = 0.0031056 k( 270) = ( 0.0762712 0.5000000 0.0762712), wk = 0.0031056 k( 271) = ( 0.0677966 0.5000000 0.0677966), wk = 0.0031056 k( 272) = ( 0.0593220 0.5000000 0.0593220), wk = 0.0031056 k( 273) = ( 0.0508475 0.5000000 0.0508475), wk = 0.0031056 k( 274) = ( 0.0423729 0.5000000 0.0423729), wk = 0.0031056 k( 275) = ( 0.0338983 0.5000000 0.0338983), wk = 0.0031056 k( 276) = ( 0.0254237 0.5000000 0.0254237), wk = 0.0031056 k( 277) = ( 0.0169491 0.5000000 0.0169491), wk = 0.0031056 k( 278) = ( 0.0084746 0.5000000 0.0084746), wk = 0.0031056 k( 279) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031056 k( 280) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031056 k( 281) = ( 0.5000000 0.5000000 0.0119048), wk = 0.0031056 k( 282) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0031056 k( 283) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0031056 k( 284) = ( 0.5000000 0.5000000 0.0476190), wk = 0.0031056 k( 285) = ( 0.5000000 0.5000000 0.0595238), wk = 0.0031056 k( 286) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0031056 k( 287) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0031056 k( 288) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0031056 k( 289) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0031056 k( 290) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0031056 k( 291) = ( 0.5000000 0.5000000 0.1309524), wk = 0.0031056 k( 292) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0031056 k( 293) = ( 0.5000000 0.5000000 0.1547619), wk = 0.0031056 k( 294) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0031056 k( 295) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0031056 k( 296) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0031056 k( 297) = ( 0.5000000 0.5000000 0.2023809), wk = 0.0031056 k( 298) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0031056 k( 299) = ( 0.5000000 0.5000000 0.2261905), wk = 0.0031056 k( 300) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0031056 k( 301) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0031056 k( 302) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0031056 k( 303) = ( 0.5000000 0.5000000 0.2738095), wk = 0.0031056 k( 304) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0031056 k( 305) = ( 0.5000000 0.5000000 0.2976190), wk = 0.0031056 k( 306) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0031056 k( 307) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0031056 k( 308) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0031056 k( 309) = ( 0.5000000 0.5000000 0.3452381), wk = 0.0031056 k( 310) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0031056 k( 311) = ( 0.5000000 0.5000000 0.3690476), wk = 0.0031056 k( 312) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0031056 k( 313) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0031056 k( 314) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0031056 k( 315) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0031056 k( 316) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0031056 k( 317) = ( 0.5000000 0.5000000 0.4404762), wk = 0.0031056 k( 318) = ( 0.5000000 0.5000000 0.4523809), wk = 0.0031056 k( 319) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0031056 k( 320) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0031056 k( 321) = ( 0.5000000 0.5000000 0.4880952), wk = 0.0031056 k( 322) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 2) = ( 0.0000000 0.0119048 0.0000000), wk = 0.0031056 k( 3) = ( 0.0000000 0.0238095 0.0000000), wk = 0.0031056 k( 4) = ( 0.0000000 0.0357143 0.0000000), wk = 0.0031056 k( 5) = ( 0.0000000 0.0476191 0.0000000), wk = 0.0031056 k( 6) = ( 0.0000000 0.0595238 0.0000000), wk = 0.0031056 k( 7) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0031056 k( 8) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0031056 k( 9) = ( 0.0000000 0.0952381 0.0000000), wk = 0.0031056 k( 10) = ( 0.0000000 0.1071429 0.0000000), wk = 0.0031056 k( 11) = ( 0.0000000 0.1190476 0.0000000), wk = 0.0031056 k( 12) = ( 0.0000000 0.1309524 0.0000000), wk = 0.0031056 k( 13) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0031056 k( 14) = ( 0.0000000 0.1547619 0.0000000), wk = 0.0031056 k( 15) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0031056 k( 16) = ( 0.0000000 0.1785714 0.0000000), wk = 0.0031056 k( 17) = ( 0.0000000 0.1904762 0.0000000), wk = 0.0031056 k( 18) = ( 0.0000000 0.2023810 0.0000000), wk = 0.0031056 k( 19) = ( 0.0000000 0.2142857 0.0000000), wk = 0.0031056 k( 20) = ( 0.0000000 0.2261905 0.0000000), wk = 0.0031056 k( 21) = ( 0.0000000 0.2380952 0.0000000), wk = 0.0031056 k( 22) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0031056 k( 23) = ( 0.0000000 0.2619048 0.0000000), wk = 0.0031056 k( 24) = ( 0.0000000 0.2738095 0.0000000), wk = 0.0031056 k( 25) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0031056 k( 26) = ( 0.0000000 0.2976190 0.0000000), wk = 0.0031056 k( 27) = ( 0.0000000 0.3095238 0.0000000), wk = 0.0031056 k( 28) = ( 0.0000000 0.3214286 0.0000000), wk = 0.0031056 k( 29) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0031056 k( 30) = ( 0.0000000 0.3452381 0.0000000), wk = 0.0031056 k( 31) = ( 0.0000000 0.3571429 0.0000000), wk = 0.0031056 k( 32) = ( 0.0000000 0.3690476 0.0000000), wk = 0.0031056 k( 33) = ( 0.0000000 0.3809524 0.0000000), wk = 0.0031056 k( 34) = ( 0.0000000 0.3928571 0.0000000), wk = 0.0031056 k( 35) = ( 0.0000000 0.4047619 0.0000000), wk = 0.0031056 k( 36) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0031056 k( 37) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0031056 k( 38) = ( 0.0000000 0.4404762 0.0000000), wk = 0.0031056 k( 39) = ( 0.0000000 0.4523810 0.0000000), wk = 0.0031056 k( 40) = ( 0.0000000 0.4642857 0.0000000), wk = 0.0031056 k( 41) = ( 0.0000000 0.4761905 0.0000000), wk = 0.0031056 k( 42) = ( 0.0000000 0.4880952 0.0000000), wk = 0.0031056 k( 43) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031056 k( 44) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031056 k( 45) = ( 0.0119048 0.5000000 0.0000000), wk = 0.0031056 k( 46) = ( 0.0238095 0.5000000 0.0000000), wk = 0.0031056 k( 47) = ( 0.0357143 0.5000000 0.0000000), wk = 0.0031056 k( 48) = ( 0.0476191 0.5000000 0.0000000), wk = 0.0031056 k( 49) = ( 0.0595238 0.5000000 0.0000000), wk = 0.0031056 k( 50) = ( 0.0714286 0.5000000 0.0000000), wk = 0.0031056 k( 51) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0031056 k( 52) = ( 0.0952381 0.5000000 0.0000000), wk = 0.0031056 k( 53) = ( 0.1071429 0.5000000 0.0000000), wk = 0.0031056 k( 54) = ( 0.1190476 0.5000000 0.0000000), wk = 0.0031056 k( 55) = ( 0.1309524 0.5000000 0.0000000), wk = 0.0031056 k( 56) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0031056 k( 57) = ( 0.1547619 0.5000000 0.0000000), wk = 0.0031056 k( 58) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0031056 k( 59) = ( 0.1785714 0.5000000 0.0000000), wk = 0.0031056 k( 60) = ( 0.1904762 0.5000000 0.0000000), wk = 0.0031056 k( 61) = ( 0.2023810 0.5000000 0.0000000), wk = 0.0031056 k( 62) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0031056 k( 63) = ( 0.2261905 0.5000000 0.0000000), wk = 0.0031056 k( 64) = ( 0.2380952 0.5000000 0.0000000), wk = 0.0031056 k( 65) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0031056 k( 66) = ( 0.2619048 0.5000000 0.0000000), wk = 0.0031056 k( 67) = ( 0.2738095 0.5000000 0.0000000), wk = 0.0031056 k( 68) = ( 0.2857143 0.5000000 0.0000000), wk = 0.0031056 k( 69) = ( 0.2976190 0.5000000 0.0000000), wk = 0.0031056 k( 70) = ( 0.3095238 0.5000000 0.0000000), wk = 0.0031056 k( 71) = ( 0.3214286 0.5000000 -0.0000000), wk = 0.0031056 k( 72) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0031056 k( 73) = ( 0.3452381 0.5000000 0.0000000), wk = 0.0031056 k( 74) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0031056 k( 75) = ( 0.3690476 0.5000000 0.0000000), wk = 0.0031056 k( 76) = ( 0.3809524 0.5000000 0.0000000), wk = 0.0031056 k( 77) = ( 0.3928571 0.5000000 -0.0000000), wk = 0.0031056 k( 78) = ( 0.4047619 0.5000000 0.0000000), wk = 0.0031056 k( 79) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0031056 k( 80) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0031056 k( 81) = ( 0.4404762 0.5000000 0.0000000), wk = 0.0031056 k( 82) = ( 0.4523810 0.5000000 0.0000000), wk = 0.0031056 k( 83) = ( 0.4642857 0.5000000 0.0000000), wk = 0.0031056 k( 84) = ( 0.4761905 0.5000000 0.0000000), wk = 0.0031056 k( 85) = ( 0.4880952 0.5000000 0.0000000), wk = 0.0031056 k( 86) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031056 k( 87) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031056 k( 88) = ( 0.4915254 0.4915254 0.0000000), wk = 0.0031056 k( 89) = ( 0.4830508 0.4830508 0.0000000), wk = 0.0031056 k( 90) = ( 0.4745763 0.4745763 0.0000000), wk = 0.0031056 k( 91) = ( 0.4661017 0.4661017 0.0000000), wk = 0.0031056 k( 92) = ( 0.4576271 0.4576271 0.0000000), wk = 0.0031056 k( 93) = ( 0.4491525 0.4491525 0.0000000), wk = 0.0031056 k( 94) = ( 0.4406780 0.4406780 0.0000000), wk = 0.0031056 k( 95) = ( 0.4322034 0.4322034 0.0000000), wk = 0.0031056 k( 96) = ( 0.4237288 0.4237288 0.0000000), wk = 0.0031056 k( 97) = ( 0.4152542 0.4152542 0.0000000), wk = 0.0031056 k( 98) = ( 0.4067797 0.4067797 0.0000000), wk = 0.0031056 k( 99) = ( 0.3983051 0.3983051 0.0000000), wk = 0.0031056 k( 100) = ( 0.3898305 0.3898305 0.0000000), wk = 0.0031056 k( 101) = ( 0.3813559 0.3813559 0.0000000), wk = 0.0031056 k( 102) = ( 0.3728814 0.3728814 0.0000000), wk = 0.0031056 k( 103) = ( 0.3644068 0.3644068 0.0000000), wk = 0.0031056 k( 104) = ( 0.3559322 0.3559322 0.0000000), wk = 0.0031056 k( 105) = ( 0.3474576 0.3474576 0.0000000), wk = 0.0031056 k( 106) = ( 0.3389831 0.3389831 0.0000000), wk = 0.0031056 k( 107) = ( 0.3305085 0.3305085 0.0000000), wk = 0.0031056 k( 108) = ( 0.3220339 0.3220339 0.0000000), wk = 0.0031056 k( 109) = ( 0.3135593 0.3135593 0.0000000), wk = 0.0031056 k( 110) = ( 0.3050848 0.3050848 0.0000000), wk = 0.0031056 k( 111) = ( 0.2966102 0.2966102 0.0000000), wk = 0.0031056 k( 112) = ( 0.2881356 0.2881356 0.0000000), wk = 0.0031056 k( 113) = ( 0.2796610 0.2796610 0.0000000), wk = 0.0031056 k( 114) = ( 0.2711864 0.2711864 0.0000000), wk = 0.0031056 k( 115) = ( 0.2627119 0.2627119 0.0000000), wk = 0.0031056 k( 116) = ( 0.2542373 0.2542373 0.0000000), wk = 0.0031056 k( 117) = ( 0.2457627 0.2457627 0.0000000), wk = 0.0031056 k( 118) = ( 0.2372881 0.2372881 0.0000000), wk = 0.0031056 k( 119) = ( 0.2288136 0.2288136 0.0000000), wk = 0.0031056 k( 120) = ( 0.2203390 0.2203390 0.0000000), wk = 0.0031056 k( 121) = ( 0.2118644 0.2118644 0.0000000), wk = 0.0031056 k( 122) = ( 0.2033898 0.2033898 0.0000000), wk = 0.0031056 k( 123) = ( 0.1949153 0.1949153 0.0000000), wk = 0.0031056 k( 124) = ( 0.1864407 0.1864407 0.0000000), wk = 0.0031056 k( 125) = ( 0.1779661 0.1779661 0.0000000), wk = 0.0031056 k( 126) = ( 0.1694915 0.1694915 0.0000000), wk = 0.0031056 k( 127) = ( 0.1610169 0.1610169 0.0000000), wk = 0.0031056 k( 128) = ( 0.1525424 0.1525424 0.0000000), wk = 0.0031056 k( 129) = ( 0.1440678 0.1440678 0.0000000), wk = 0.0031056 k( 130) = ( 0.1355932 0.1355932 0.0000000), wk = 0.0031056 k( 131) = ( 0.1271186 0.1271186 0.0000000), wk = 0.0031056 k( 132) = ( 0.1186441 0.1186441 0.0000000), wk = 0.0031056 k( 133) = ( 0.1101695 0.1101695 0.0000000), wk = 0.0031056 k( 134) = ( 0.1016949 0.1016949 0.0000000), wk = 0.0031056 k( 135) = ( 0.0932203 0.0932203 0.0000000), wk = 0.0031056 k( 136) = ( 0.0847458 0.0847458 0.0000000), wk = 0.0031056 k( 137) = ( 0.0762712 0.0762712 0.0000000), wk = 0.0031056 k( 138) = ( 0.0677966 0.0677966 0.0000000), wk = 0.0031056 k( 139) = ( 0.0593220 0.0593220 0.0000000), wk = 0.0031056 k( 140) = ( 0.0508475 0.0508475 0.0000000), wk = 0.0031056 k( 141) = ( 0.0423729 0.0423729 0.0000000), wk = 0.0031056 k( 142) = ( 0.0338983 0.0338983 0.0000000), wk = 0.0031056 k( 143) = ( 0.0254237 0.0254237 0.0000000), wk = 0.0031056 k( 144) = ( 0.0169491 0.0169491 0.0000000), wk = 0.0031056 k( 145) = ( 0.0084746 0.0084746 0.0000000), wk = 0.0031056 k( 146) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 147) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031056 k( 148) = ( 0.0069444 0.0069444 0.0069444), wk = 0.0031056 k( 149) = ( 0.0138889 0.0138889 0.0138889), wk = 0.0031056 k( 150) = ( 0.0208333 0.0208333 0.0208333), wk = 0.0031056 k( 151) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0031056 k( 152) = ( 0.0347222 0.0347222 0.0347222), wk = 0.0031056 k( 153) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0031056 k( 154) = ( 0.0486111 0.0486111 0.0486111), wk = 0.0031056 k( 155) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0031056 k( 156) = ( 0.0625000 0.0625000 0.0625000), wk = 0.0031056 k( 157) = ( 0.0694444 0.0694444 0.0694444), wk = 0.0031056 k( 158) = ( 0.0763889 0.0763889 0.0763889), wk = 0.0031056 k( 159) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0031056 k( 160) = ( 0.0902778 0.0902778 0.0902778), wk = 0.0031056 k( 161) = ( 0.0972222 0.0972222 0.0972222), wk = 0.0031056 k( 162) = ( 0.1041667 0.1041667 0.1041667), wk = 0.0031056 k( 163) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0031056 k( 164) = ( 0.1180556 0.1180556 0.1180556), wk = 0.0031056 k( 165) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0031056 k( 166) = ( 0.1319444 0.1319444 0.1319444), wk = 0.0031056 k( 167) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0031056 k( 168) = ( 0.1458333 0.1458333 0.1458333), wk = 0.0031056 k( 169) = ( 0.1527778 0.1527778 0.1527778), wk = 0.0031056 k( 170) = ( 0.1597222 0.1597222 0.1597222), wk = 0.0031056 k( 171) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0031056 k( 172) = ( 0.1736111 0.1736111 0.1736111), wk = 0.0031056 k( 173) = ( 0.1805556 0.1805556 0.1805556), wk = 0.0031056 k( 174) = ( 0.1875000 0.1875000 0.1875000), wk = 0.0031056 k( 175) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0031056 k( 176) = ( 0.2013889 0.2013889 0.2013889), wk = 0.0031056 k( 177) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0031056 k( 178) = ( 0.2152778 0.2152778 0.2152778), wk = 0.0031056 k( 179) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0031056 k( 180) = ( 0.2291667 0.2291667 0.2291667), wk = 0.0031056 k( 181) = ( 0.2361111 0.2361111 0.2361111), wk = 0.0031056 k( 182) = ( 0.2430556 0.2430556 0.2430556), wk = 0.0031056 k( 183) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031056 k( 184) = ( 0.2569444 0.2569444 0.2569444), wk = 0.0031056 k( 185) = ( 0.2638889 0.2638889 0.2638889), wk = 0.0031056 k( 186) = ( 0.2708333 0.2708333 0.2708333), wk = 0.0031056 k( 187) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0031056 k( 188) = ( 0.2847222 0.2847222 0.2847222), wk = 0.0031056 k( 189) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0031056 k( 190) = ( 0.2986111 0.2986111 0.2986111), wk = 0.0031056 k( 191) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0031056 k( 192) = ( 0.3125000 0.3125000 0.3125000), wk = 0.0031056 k( 193) = ( 0.3194444 0.3194444 0.3194444), wk = 0.0031056 k( 194) = ( 0.3263889 0.3263889 0.3263889), wk = 0.0031056 k( 195) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0031056 k( 196) = ( 0.3402778 0.3402778 0.3402778), wk = 0.0031056 k( 197) = ( 0.3472222 0.3472222 0.3472222), wk = 0.0031056 k( 198) = ( 0.3541667 0.3541667 0.3541667), wk = 0.0031056 k( 199) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0031056 k( 200) = ( 0.3680556 0.3680556 0.3680556), wk = 0.0031056 k( 201) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0031056 k( 202) = ( 0.3819444 0.3819444 0.3819444), wk = 0.0031056 k( 203) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0031056 k( 204) = ( 0.3958333 0.3958333 0.3958333), wk = 0.0031056 k( 205) = ( 0.4027778 0.4027778 0.4027778), wk = 0.0031056 k( 206) = ( 0.4097222 0.4097222 0.4097222), wk = 0.0031056 k( 207) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0031056 k( 208) = ( 0.4236111 0.4236111 0.4236111), wk = 0.0031056 k( 209) = ( 0.4305556 0.4305556 0.4305556), wk = 0.0031056 k( 210) = ( 0.4375000 0.4375000 0.4375000), wk = 0.0031056 k( 211) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0031056 k( 212) = ( 0.4513889 0.4513889 0.4513889), wk = 0.0031056 k( 213) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0031056 k( 214) = ( 0.4652778 0.4652778 0.4652778), wk = 0.0031056 k( 215) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0031056 k( 216) = ( 0.4791667 0.4791667 0.4791667), wk = 0.0031056 k( 217) = ( 0.4861111 0.4861111 0.4861111), wk = 0.0031056 k( 218) = ( 0.4930556 0.4930556 0.4930556), wk = 0.0031056 k( 219) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 220) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 k( 221) = ( 0.4915254 0.5000000 0.4915254), wk = 0.0031056 k( 222) = ( 0.4830508 0.5000000 0.4830508), wk = 0.0031056 k( 223) = ( 0.4745763 0.5000000 0.4745763), wk = 0.0031056 k( 224) = ( 0.4661017 0.5000000 0.4661017), wk = 0.0031056 k( 225) = ( 0.4576271 0.5000000 0.4576271), wk = 0.0031056 k( 226) = ( 0.4491525 0.5000000 0.4491525), wk = 0.0031056 k( 227) = ( 0.4406780 0.5000000 0.4406780), wk = 0.0031056 k( 228) = ( 0.4322034 0.5000000 0.4322034), wk = 0.0031056 k( 229) = ( 0.4237288 0.5000000 0.4237288), wk = 0.0031056 k( 230) = ( 0.4152542 0.5000000 0.4152542), wk = 0.0031056 k( 231) = ( 0.4067797 0.5000000 0.4067797), wk = 0.0031056 k( 232) = ( 0.3983051 0.5000000 0.3983051), wk = 0.0031056 k( 233) = ( 0.3898305 0.5000000 0.3898305), wk = 0.0031056 k( 234) = ( 0.3813559 0.5000000 0.3813559), wk = 0.0031056 k( 235) = ( 0.3728814 0.5000000 0.3728814), wk = 0.0031056 k( 236) = ( 0.3644068 0.5000000 0.3644068), wk = 0.0031056 k( 237) = ( 0.3559322 0.5000000 0.3559322), wk = 0.0031056 k( 238) = ( 0.3474576 0.5000000 0.3474576), wk = 0.0031056 k( 239) = ( 0.3389831 0.5000000 0.3389831), wk = 0.0031056 k( 240) = ( 0.3305085 0.5000000 0.3305085), wk = 0.0031056 k( 241) = ( 0.3220339 0.5000000 0.3220339), wk = 0.0031056 k( 242) = ( 0.3135593 0.5000000 0.3135593), wk = 0.0031056 k( 243) = ( 0.3050848 0.5000000 0.3050848), wk = 0.0031056 k( 244) = ( 0.2966102 0.5000000 0.2966102), wk = 0.0031056 k( 245) = ( 0.2881356 0.5000000 0.2881356), wk = 0.0031056 k( 246) = ( 0.2796610 0.5000000 0.2796610), wk = 0.0031056 k( 247) = ( 0.2711864 0.5000000 0.2711864), wk = 0.0031056 k( 248) = ( 0.2627119 0.5000000 0.2627119), wk = 0.0031056 k( 249) = ( 0.2542373 0.5000000 0.2542373), wk = 0.0031056 k( 250) = ( 0.2457627 0.5000000 0.2457627), wk = 0.0031056 k( 251) = ( 0.2372881 0.5000000 0.2372881), wk = 0.0031056 k( 252) = ( 0.2288136 0.5000000 0.2288136), wk = 0.0031056 k( 253) = ( 0.2203390 0.5000000 0.2203390), wk = 0.0031056 k( 254) = ( 0.2118644 0.5000000 0.2118644), wk = 0.0031056 k( 255) = ( 0.2033898 0.5000000 0.2033898), wk = 0.0031056 k( 256) = ( 0.1949153 0.5000000 0.1949153), wk = 0.0031056 k( 257) = ( 0.1864407 0.5000000 0.1864407), wk = 0.0031056 k( 258) = ( 0.1779661 0.5000000 0.1779661), wk = 0.0031056 k( 259) = ( 0.1694915 0.5000000 0.1694915), wk = 0.0031056 k( 260) = ( 0.1610169 0.5000000 0.1610169), wk = 0.0031056 k( 261) = ( 0.1525424 0.5000000 0.1525424), wk = 0.0031056 k( 262) = ( 0.1440678 0.5000000 0.1440678), wk = 0.0031056 k( 263) = ( 0.1355932 0.5000000 0.1355932), wk = 0.0031056 k( 264) = ( 0.1271186 0.5000000 0.1271186), wk = 0.0031056 k( 265) = ( 0.1186441 0.5000000 0.1186441), wk = 0.0031056 k( 266) = ( 0.1101695 0.5000000 0.1101695), wk = 0.0031056 k( 267) = ( 0.1016949 0.5000000 0.1016949), wk = 0.0031056 k( 268) = ( 0.0932203 0.5000000 0.0932203), wk = 0.0031056 k( 269) = ( 0.0847458 0.5000000 0.0847458), wk = 0.0031056 k( 270) = ( 0.0762712 0.5000000 0.0762712), wk = 0.0031056 k( 271) = ( 0.0677966 0.5000000 0.0677966), wk = 0.0031056 k( 272) = ( 0.0593220 0.5000000 0.0593220), wk = 0.0031056 k( 273) = ( 0.0508475 0.5000000 0.0508475), wk = 0.0031056 k( 274) = ( 0.0423729 0.5000000 0.0423729), wk = 0.0031056 k( 275) = ( 0.0338983 0.5000000 0.0338983), wk = 0.0031056 k( 276) = ( 0.0254237 0.5000000 0.0254237), wk = 0.0031056 k( 277) = ( 0.0169491 0.5000000 0.0169491), wk = 0.0031056 k( 278) = ( 0.0084746 0.5000000 0.0084746), wk = 0.0031056 k( 279) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031056 k( 280) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031056 k( 281) = ( 0.5000000 0.5000000 0.0119048), wk = 0.0031056 k( 282) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0031056 k( 283) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0031056 k( 284) = ( 0.5000000 0.5000000 0.0476191), wk = 0.0031056 k( 285) = ( 0.5000000 0.5000000 0.0595238), wk = 0.0031056 k( 286) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0031056 k( 287) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0031056 k( 288) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0031056 k( 289) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0031056 k( 290) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0031056 k( 291) = ( 0.5000000 0.5000000 0.1309524), wk = 0.0031056 k( 292) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0031056 k( 293) = ( 0.5000000 0.5000000 0.1547619), wk = 0.0031056 k( 294) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0031056 k( 295) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0031056 k( 296) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0031056 k( 297) = ( 0.5000000 0.5000000 0.2023810), wk = 0.0031056 k( 298) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0031056 k( 299) = ( 0.5000000 0.5000000 0.2261905), wk = 0.0031056 k( 300) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0031056 k( 301) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0031056 k( 302) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0031056 k( 303) = ( 0.5000000 0.5000000 0.2738095), wk = 0.0031056 k( 304) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0031056 k( 305) = ( 0.5000000 0.5000000 0.2976190), wk = 0.0031056 k( 306) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0031056 k( 307) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0031056 k( 308) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0031056 k( 309) = ( 0.5000000 0.5000000 0.3452381), wk = 0.0031056 k( 310) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0031056 k( 311) = ( 0.5000000 0.5000000 0.3690476), wk = 0.0031056 k( 312) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0031056 k( 313) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0031056 k( 314) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0031056 k( 315) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0031056 k( 316) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0031056 k( 317) = ( 0.5000000 0.5000000 0.4404762), wk = 0.0031056 k( 318) = ( 0.5000000 0.5000000 0.4523810), wk = 0.0031056 k( 319) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0031056 k( 320) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0031056 k( 321) = ( 0.5000000 0.5000000 0.4880952), wk = 0.0031056 k( 322) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031056 Dense grid: 80725 G-vectors FFT dimensions: ( 54, 54, 54) Smooth grid: 22983 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 184, 50) NL pseudopotentials 0.19 Mb ( 92, 136) Each V/rho on FFT grid 0.09 Mb ( 5832) Each G-vector array 0.02 Mb ( 2242) G-vector shells 0.00 Mb ( 485) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.56 Mb ( 184, 200) Each subspace H/S matrix 0.04 Mb ( 50, 50) Each matrix 0.21 Mb ( 136, 2, 50) The potential is recalculated from file : ./Fe3Pd.save/charge-density.dat Starting wfc are 74 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.7 secs Computing kpt #: 3 total cpu time spent up to now is 2.9 secs Computing kpt #: 4 total cpu time spent up to now is 3.2 secs Computing kpt #: 5 total cpu time spent up to now is 3.5 secs Computing kpt #: 6 total cpu time spent up to now is 3.8 secs Computing kpt #: 7 total cpu time spent up to now is 4.1 secs Computing kpt #: 8 total cpu time spent up to now is 4.4 secs Computing kpt #: 9 total cpu time spent up to now is 4.6 secs Computing kpt #: 10 total cpu time spent up to now is 4.9 secs Computing kpt #: 11 total cpu time spent up to now is 5.2 secs Computing kpt #: 12 total cpu time spent up to now is 5.5 secs Computing kpt #: 13 total cpu time spent up to now is 5.8 secs Computing kpt #: 14 total cpu time spent up to now is 6.1 secs Computing kpt #: 15 total cpu time spent up to now is 6.4 secs Computing kpt #: 16 total cpu time spent up to now is 7.0 secs Computing kpt #: 17 total cpu time spent up to now is 7.3 secs Computing kpt #: 18 total cpu time spent up to now is 7.6 secs Computing kpt #: 19 total cpu time spent up to now is 8.0 secs Computing kpt #: 20 total cpu time spent up to now is 8.4 secs Computing kpt #: 21 total cpu time spent up to now is 8.8 secs Computing kpt #: 22 total cpu time spent up to now is 9.2 secs Computing kpt #: 23 total cpu time spent up to now is 9.5 secs Computing kpt #: 24 total cpu time spent up to now is 9.9 secs Computing kpt #: 25 total cpu time spent up to now is 10.2 secs Computing kpt #: 26 total cpu time spent up to now is 10.5 secs Computing kpt #: 27 total cpu time spent up to now is 10.8 secs Computing kpt #: 28 total cpu time spent up to now is 11.0 secs Computing kpt #: 29 total cpu time spent up to now is 11.3 secs Computing kpt #: 30 total cpu time spent up to now is 11.5 secs Computing kpt #: 31 total cpu time spent up to now is 11.8 secs Computing kpt #: 32 total cpu time spent up to now is 12.1 secs Computing kpt #: 33 total cpu time spent up to now is 12.3 secs Computing kpt #: 34 total cpu time spent up to now is 12.5 secs Computing kpt #: 35 total cpu time spent up to now is 12.8 secs Computing kpt #: 36 total cpu time spent up to now is 13.1 secs Computing kpt #: 37 total cpu time spent up to now is 13.3 secs Computing kpt #: 38 total cpu time spent up to now is 13.6 secs Computing kpt #: 39 total cpu time spent up to now is 13.8 secs Computing kpt #: 40 total cpu time spent up to now is 14.1 secs Computing kpt #: 41 total cpu time spent up to now is 14.3 secs Computing kpt #: 42 total cpu time spent up to now is 14.5 secs Computing kpt #: 43 total cpu time spent up to now is 14.8 secs Computing kpt #: 44 total cpu time spent up to now is 15.0 secs Computing kpt #: 45 total cpu time spent up to now is 15.3 secs Computing kpt #: 46 total cpu time spent up to now is 15.5 secs Computing kpt #: 47 total cpu time spent up to now is 15.7 secs Computing kpt #: 48 total cpu time spent up to now is 16.0 secs Computing kpt #: 49 total cpu time spent up to now is 16.2 secs Computing kpt #: 50 total cpu time spent up to now is 16.5 secs Computing kpt #: 51 total cpu time spent up to now is 16.7 secs Computing kpt #: 52 total cpu time spent up to now is 17.0 secs Computing kpt #: 53 total cpu time spent up to now is 17.2 secs Computing kpt #: 54 total cpu time spent up to now is 17.5 secs Computing kpt #: 55 total cpu time spent up to now is 17.8 secs Computing kpt #: 56 total cpu time spent up to now is 18.1 secs Computing kpt #: 57 total cpu time spent up to now is 18.3 secs Computing kpt #: 58 total cpu time spent up to now is 18.6 secs Computing kpt #: 59 total cpu time spent up to now is 18.9 secs Computing kpt #: 60 total cpu time spent up to now is 19.3 secs Computing kpt #: 61 total cpu time spent up to now is 19.6 secs Computing kpt #: 62 total cpu time spent up to now is 19.9 secs Computing kpt #: 63 total cpu time spent up to now is 20.3 secs Computing kpt #: 64 total cpu time spent up to now is 20.7 secs Computing kpt #: 65 total cpu time spent up to now is 21.1 secs Computing kpt #: 66 total cpu time spent up to now is 21.4 secs Computing kpt #: 67 total cpu time spent up to now is 21.8 secs Computing kpt #: 68 total cpu time spent up to now is 22.2 secs Computing kpt #: 69 total cpu time spent up to now is 22.6 secs Computing kpt #: 70 total cpu time spent up to now is 23.0 secs Computing kpt #: 71 total cpu time spent up to now is 23.3 secs Computing kpt #: 72 total cpu time spent up to now is 23.7 secs Computing kpt #: 73 total cpu time spent up to now is 24.1 secs Computing kpt #: 74 total cpu time spent up to now is 24.4 secs Computing kpt #: 75 total cpu time spent up to now is 24.8 secs Computing kpt #: 76 total cpu time spent up to now is 25.2 secs Computing kpt #: 77 total cpu time spent up to now is 25.7 secs Computing kpt #: 78 total cpu time spent up to now is 26.3 secs Computing kpt #: 79 total cpu time spent up to now is 26.6 secs Computing kpt #: 80 total cpu time spent up to now is 27.2 secs Computing kpt #: 81 total cpu time spent up to now is 27.7 secs Computing kpt #: 82 total cpu time spent up to now is 28.1 secs Computing kpt #: 83 total cpu time spent up to now is 28.5 secs Computing kpt #: 84 total cpu time spent up to now is 29.1 secs Computing kpt #: 85 total cpu time spent up to now is 29.6 secs Computing kpt #: 86 total cpu time spent up to now is 30.2 secs Computing kpt #: 87 total cpu time spent up to now is 30.7 secs Computing kpt #: 88 total cpu time spent up to now is 31.0 secs Computing kpt #: 89 total cpu time spent up to now is 31.4 secs Computing kpt #: 90 total cpu time spent up to now is 31.7 secs Computing kpt #: 91 total cpu time spent up to now is 32.1 secs Computing kpt #: 92 total cpu time spent up to now is 32.4 secs Computing kpt #: 93 total cpu time spent up to now is 32.8 secs Computing kpt #: 94 total cpu time spent up to now is 33.1 secs Computing kpt #: 95 total cpu time spent up to now is 33.4 secs Computing kpt #: 96 total cpu time spent up to now is 33.7 secs Computing kpt #: 97 total cpu time spent up to now is 34.0 secs Computing kpt #: 98 total cpu time spent up to now is 34.3 secs Computing kpt #: 99 total cpu time spent up to now is 34.6 secs Computing kpt #: 100 total cpu time spent up to now is 35.0 secs Computing kpt #: 101 total cpu time spent up to now is 35.3 secs Computing kpt #: 102 total cpu time spent up to now is 35.6 secs Computing kpt #: 103 total cpu time spent up to now is 35.9 secs Computing kpt #: 104 total cpu time spent up to now is 36.1 secs Computing kpt #: 105 total cpu time spent up to now is 36.4 secs Computing kpt #: 106 total cpu time spent up to now is 36.8 secs Computing kpt #: 107 total cpu time spent up to now is 37.1 secs Computing kpt #: 108 total cpu time spent up to now is 37.4 secs Computing kpt #: 109 total cpu time spent up to now is 37.7 secs Computing kpt #: 110 total cpu time spent up to now is 38.0 secs Computing kpt #: 111 total cpu time spent up to now is 38.2 secs Computing kpt #: 112 total cpu time spent up to now is 38.5 secs Computing kpt #: 113 total cpu time spent up to now is 38.8 secs Computing kpt #: 114 total cpu time spent up to now is 39.1 secs Computing kpt #: 115 total cpu time spent up to now is 39.4 secs Computing kpt #: 116 total cpu time spent up to now is 39.7 secs Computing kpt #: 117 total cpu time spent up to now is 39.9 secs Computing kpt #: 118 total cpu time spent up to now is 40.2 secs Computing kpt #: 119 total cpu time spent up to now is 40.5 secs Computing kpt #: 120 total cpu time spent up to now is 40.8 secs Computing kpt #: 121 total cpu time spent up to now is 41.1 secs Computing kpt #: 122 total cpu time spent up to now is 41.4 secs Computing kpt #: 123 total cpu time spent up to now is 42.1 secs Computing kpt #: 124 total cpu time spent up to now is 42.4 secs Computing kpt #: 125 total cpu time spent up to now is 42.7 secs Computing kpt #: 126 total cpu time spent up to now is 43.0 secs Computing kpt #: 127 total cpu time spent up to now is 43.3 secs Computing kpt #: 128 total cpu time spent up to now is 43.6 secs Computing kpt #: 129 total cpu time spent up to now is 43.8 secs Computing kpt #: 130 total cpu time spent up to now is 44.1 secs Computing kpt #: 131 total cpu time spent up to now is 44.4 secs Computing kpt #: 132 total cpu time spent up to now is 44.7 secs Computing kpt #: 133 total cpu time spent up to now is 45.0 secs Computing kpt #: 134 total cpu time spent up to now is 45.3 secs Computing kpt #: 135 total cpu time spent up to now is 45.6 secs Computing kpt #: 136 total cpu time spent up to now is 45.9 secs Computing kpt #: 137 total cpu time spent up to now is 46.2 secs Computing kpt #: 138 total cpu time spent up to now is 46.5 secs Computing kpt #: 139 total cpu time spent up to now is 46.8 secs Computing kpt #: 140 total cpu time spent up to now is 47.1 secs Computing kpt #: 141 total cpu time spent up to now is 47.4 secs Computing kpt #: 142 total cpu time spent up to now is 47.6 secs Computing kpt #: 143 total cpu time spent up to now is 47.9 secs Computing kpt #: 144 total cpu time spent up to now is 48.2 secs Computing kpt #: 145 total cpu time spent up to now is 48.4 secs Computing kpt #: 146 total cpu time spent up to now is 48.6 secs Computing kpt #: 147 total cpu time spent up to now is 48.8 secs Computing kpt #: 148 total cpu time spent up to now is 49.1 secs Computing kpt #: 149 total cpu time spent up to now is 49.3 secs Computing kpt #: 150 total cpu time spent up to now is 49.6 secs Computing kpt #: 151 total cpu time spent up to now is 49.9 secs Computing kpt #: 152 total cpu time spent up to now is 50.2 secs Computing kpt #: 153 total cpu time spent up to now is 50.5 secs Computing kpt #: 154 total cpu time spent up to now is 50.8 secs Computing kpt #: 155 total cpu time spent up to now is 51.1 secs Computing kpt #: 156 total cpu time spent up to now is 51.3 secs Computing kpt #: 157 total cpu time spent up to now is 51.6 secs Computing kpt #: 158 total cpu time spent up to now is 51.9 secs Computing kpt #: 159 total cpu time spent up to now is 52.2 secs Computing kpt #: 160 total cpu time spent up to now is 52.5 secs Computing kpt #: 161 total cpu time spent up to now is 52.8 secs Computing kpt #: 162 total cpu time spent up to now is 53.1 secs Computing kpt #: 163 total cpu time spent up to now is 53.4 secs Computing kpt #: 164 total cpu time spent up to now is 53.6 secs Computing kpt #: 165 total cpu time spent up to now is 53.9 secs Computing kpt #: 166 total cpu time spent up to now is 54.2 secs Computing kpt #: 167 total cpu time spent up to now is 54.5 secs Computing kpt #: 168 total cpu time spent up to now is 54.8 secs Computing kpt #: 169 total cpu time spent up to now is 55.0 secs Computing kpt #: 170 total cpu time spent up to now is 55.3 secs Computing kpt #: 171 total cpu time spent up to now is 55.6 secs Computing kpt #: 172 total cpu time spent up to now is 55.9 secs Computing kpt #: 173 total cpu time spent up to now is 56.1 secs Computing kpt #: 174 total cpu time spent up to now is 56.4 secs Computing kpt #: 175 total cpu time spent up to now is 56.6 secs Computing kpt #: 176 total cpu time spent up to now is 56.9 secs Computing kpt #: 177 total cpu time spent up to now is 57.2 secs Computing kpt #: 178 total cpu time spent up to now is 57.4 secs Computing kpt #: 179 total cpu time spent up to now is 57.7 secs Computing kpt #: 180 total cpu time spent up to now is 58.0 secs Computing kpt #: 181 total cpu time spent up to now is 58.2 secs Computing kpt #: 182 total cpu time spent up to now is 58.5 secs Computing kpt #: 183 total cpu time spent up to now is 58.7 secs Computing kpt #: 184 total cpu time spent up to now is 59.0 secs Computing kpt #: 185 total cpu time spent up to now is 59.3 secs Computing kpt #: 186 total cpu time spent up to now is 59.6 secs Computing kpt #: 187 total cpu time spent up to now is 59.8 secs Computing kpt #: 188 total cpu time spent up to now is 60.1 secs Computing kpt #: 189 total cpu time spent up to now is 60.4 secs Computing kpt #: 190 total cpu time spent up to now is 60.7 secs Computing kpt #: 191 total cpu time spent up to now is 61.0 secs Computing kpt #: 192 total cpu time spent up to now is 61.2 secs Computing kpt #: 193 total cpu time spent up to now is 61.6 secs Computing kpt #: 194 total cpu time spent up to now is 61.8 secs Computing kpt #: 195 total cpu time spent up to now is 62.1 secs Computing kpt #: 196 total cpu time spent up to now is 62.4 secs Computing kpt #: 197 total cpu time spent up to now is 62.7 secs Computing kpt #: 198 total cpu time spent up to now is 63.0 secs Computing kpt #: 199 total cpu time spent up to now is 63.3 secs Computing kpt #: 200 total cpu time spent up to now is 63.6 secs Computing kpt #: 201 total cpu time spent up to now is 63.9 secs Computing kpt #: 202 total cpu time spent up to now is 64.2 secs Computing kpt #: 203 total cpu time spent up to now is 64.6 secs Computing kpt #: 204 total cpu time spent up to now is 64.9 secs Computing kpt #: 205 total cpu time spent up to now is 65.2 secs Computing kpt #: 206 total cpu time spent up to now is 65.5 secs Computing kpt #: 207 total cpu time spent up to now is 65.9 secs Computing kpt #: 208 total cpu time spent up to now is 66.2 secs Computing kpt #: 209 total cpu time spent up to now is 66.6 secs Computing kpt #: 210 total cpu time spent up to now is 66.9 secs Computing kpt #: 211 total cpu time spent up to now is 67.3 secs Computing kpt #: 212 total cpu time spent up to now is 67.6 secs Computing kpt #: 213 total cpu time spent up to now is 68.1 secs Computing kpt #: 214 total cpu time spent up to now is 68.5 secs Computing kpt #: 215 total cpu time spent up to now is 69.0 secs Computing kpt #: 216 total cpu time spent up to now is 69.6 secs Computing kpt #: 217 total cpu time spent up to now is 70.1 secs Computing kpt #: 218 total cpu time spent up to now is 70.5 secs Computing kpt #: 219 total cpu time spent up to now is 70.9 secs Computing kpt #: 220 total cpu time spent up to now is 71.2 secs Computing kpt #: 221 total cpu time spent up to now is 71.6 secs Computing kpt #: 222 total cpu time spent up to now is 72.1 secs Computing kpt #: 223 total cpu time spent up to now is 72.6 secs Computing kpt #: 224 total cpu time spent up to now is 73.0 secs Computing kpt #: 225 total cpu time spent up to now is 73.5 secs Computing kpt #: 226 total cpu time spent up to now is 73.9 secs Computing kpt #: 227 total cpu time spent up to now is 74.4 secs Computing kpt #: 228 total cpu time spent up to now is 74.8 secs Computing kpt #: 229 total cpu time spent up to now is 75.3 secs Computing kpt #: 230 total cpu time spent up to now is 75.7 secs Computing kpt #: 231 total cpu time spent up to now is 76.1 secs Computing kpt #: 232 total cpu time spent up to now is 76.6 secs Computing kpt #: 233 total cpu time spent up to now is 77.2 secs Computing kpt #: 234 total cpu time spent up to now is 77.7 secs Computing kpt #: 235 total cpu time spent up to now is 78.1 secs Computing kpt #: 236 total cpu time spent up to now is 78.5 secs Computing kpt #: 237 total cpu time spent up to now is 78.9 secs Computing kpt #: 238 total cpu time spent up to now is 79.4 secs Computing kpt #: 239 total cpu time spent up to now is 79.8 secs Computing kpt #: 240 total cpu time spent up to now is 80.3 secs Computing kpt #: 241 total cpu time spent up to now is 80.6 secs Computing kpt #: 242 total cpu time spent up to now is 81.0 secs Computing kpt #: 243 total cpu time spent up to now is 81.4 secs Computing kpt #: 244 total cpu time spent up to now is 81.8 secs Computing kpt #: 245 total cpu time spent up to now is 82.2 secs Computing kpt #: 246 total cpu time spent up to now is 82.6 secs Computing kpt #: 247 total cpu time spent up to now is 83.0 secs Computing kpt #: 248 total cpu time spent up to now is 83.4 secs Computing kpt #: 249 total cpu time spent up to now is 83.8 secs Computing kpt #: 250 total cpu time spent up to now is 84.2 secs Computing kpt #: 251 total cpu time spent up to now is 84.7 secs Computing kpt #: 252 total cpu time spent up to now is 85.1 secs Computing kpt #: 253 total cpu time spent up to now is 85.4 secs Computing kpt #: 254 total cpu time spent up to now is 85.8 secs Computing kpt #: 255 total cpu time spent up to now is 86.1 secs Computing kpt #: 256 total cpu time spent up to now is 86.5 secs Computing kpt #: 257 total cpu time spent up to now is 86.8 secs Computing kpt #: 258 total cpu time spent up to now is 87.1 secs Computing kpt #: 259 total cpu time spent up to now is 87.4 secs Computing kpt #: 260 total cpu time spent up to now is 87.7 secs Computing kpt #: 261 total cpu time spent up to now is 88.0 secs Computing kpt #: 262 total cpu time spent up to now is 88.3 secs Computing kpt #: 263 total cpu time spent up to now is 88.6 secs Computing kpt #: 264 total cpu time spent up to now is 88.9 secs Computing kpt #: 265 total cpu time spent up to now is 89.2 secs Computing kpt #: 266 total cpu time spent up to now is 89.4 secs Computing kpt #: 267 total cpu time spent up to now is 89.7 secs Computing kpt #: 268 total cpu time spent up to now is 89.9 secs Computing kpt #: 269 total cpu time spent up to now is 90.2 secs Computing kpt #: 270 total cpu time spent up to now is 90.4 secs Computing kpt #: 271 total cpu time spent up to now is 90.7 secs Computing kpt #: 272 total cpu time spent up to now is 90.9 secs Computing kpt #: 273 total cpu time spent up to now is 91.2 secs Computing kpt #: 274 total cpu time spent up to now is 91.4 secs Computing kpt #: 275 total cpu time spent up to now is 91.7 secs Computing kpt #: 276 total cpu time spent up to now is 91.9 secs Computing kpt #: 277 total cpu time spent up to now is 92.2 secs Computing kpt #: 278 total cpu time spent up to now is 92.4 secs Computing kpt #: 279 total cpu time spent up to now is 92.6 secs Computing kpt #: 280 total cpu time spent up to now is 93.2 secs Computing kpt #: 281 total cpu time spent up to now is 93.7 secs Computing kpt #: 282 total cpu time spent up to now is 94.3 secs Computing kpt #: 283 total cpu time spent up to now is 94.8 secs Computing kpt #: 284 total cpu time spent up to now is 95.3 secs Computing kpt #: 285 total cpu time spent up to now is 95.9 secs Computing kpt #: 286 total cpu time spent up to now is 96.3 secs Computing kpt #: 287 total cpu time spent up to now is 96.7 secs Computing kpt #: 288 total cpu time spent up to now is 97.3 secs Computing kpt #: 289 total cpu time spent up to now is 97.9 secs Computing kpt #: 290 total cpu time spent up to now is 98.3 secs Computing kpt #: 291 total cpu time spent up to now is 98.7 secs Computing kpt #: 292 total cpu time spent up to now is 99.0 secs Computing kpt #: 293 total cpu time spent up to now is 99.4 secs Computing kpt #: 294 total cpu time spent up to now is 99.8 secs Computing kpt #: 295 total cpu time spent up to now is 100.4 secs Computing kpt #: 296 total cpu time spent up to now is 100.9 secs Computing kpt #: 297 total cpu time spent up to now is 101.2 secs Computing kpt #: 298 total cpu time spent up to now is 101.6 secs Computing kpt #: 299 total cpu time spent up to now is 102.0 secs Computing kpt #: 300 total cpu time spent up to now is 102.4 secs Computing kpt #: 301 total cpu time spent up to now is 102.8 secs Computing kpt #: 302 total cpu time spent up to now is 103.2 secs Computing kpt #: 303 total cpu time spent up to now is 103.7 secs Computing kpt #: 304 total cpu time spent up to now is 104.1 secs Computing kpt #: 305 total cpu time spent up to now is 104.5 secs Computing kpt #: 306 total cpu time spent up to now is 105.0 secs Computing kpt #: 307 total cpu time spent up to now is 105.5 secs Computing kpt #: 308 total cpu time spent up to now is 105.9 secs Computing kpt #: 309 total cpu time spent up to now is 106.4 secs Computing kpt #: 310 total cpu time spent up to now is 106.8 secs Computing kpt #: 311 total cpu time spent up to now is 107.3 secs Computing kpt #: 312 total cpu time spent up to now is 107.7 secs Computing kpt #: 313 total cpu time spent up to now is 108.1 secs Computing kpt #: 314 total cpu time spent up to now is 108.5 secs Computing kpt #: 315 total cpu time spent up to now is 108.9 secs Computing kpt #: 316 total cpu time spent up to now is 109.3 secs Computing kpt #: 317 total cpu time spent up to now is 109.7 secs Computing kpt #: 318 total cpu time spent up to now is 110.1 secs Computing kpt #: 319 total cpu time spent up to now is 110.6 secs Computing kpt #: 320 total cpu time spent up to now is 111.0 secs Computing kpt #: 321 total cpu time spent up to now is 111.4 secs Computing kpt #: 322 total cpu time spent up to now is 112.0 secs ethr = 2.38E-08, avg # of iterations = 17.0 total cpu time spent up to now is 112.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2897 PWs) bands (ev): -71.9692 -71.9692 -40.7561 -40.7561 -36.2720 -36.2720 -36.2720 -36.2720 5.4597 5.4597 8.1930 8.1930 8.1930 8.1930 8.8991 8.8991 8.8991 8.8991 9.0320 9.0320 9.6325 9.6325 11.4025 11.4025 11.4025 11.4025 11.5099 11.5099 12.4877 12.4877 12.4877 12.4877 13.3258 13.3258 13.3258 13.3258 13.4349 13.4349 13.4349 13.4349 13.4708 13.4708 13.5861 13.5861 13.6995 13.6995 13.7614 13.7614 13.7614 13.7614 k = 0.0000 0.0119-0.0000 ( 2897 PWs) bands (ev): -71.9692 -71.9692 -40.7561 -40.7561 -36.2720 -36.2720 -36.2720 -36.2720 5.4613 5.4613 8.1937 8.1937 8.1938 8.1938 8.8996 8.8996 8.8996 8.8996 9.0325 9.0325 9.6331 9.6331 11.4023 11.4023 11.4029 11.4029 11.5099 11.5099 12.4868 12.4868 12.4879 12.4879 13.3244 13.3244 13.3253 13.3253 13.4321 13.4321 13.4333 13.4333 13.4691 13.4691 13.5847 13.5847 13.6972 13.6972 13.7584 13.7584 13.7599 13.7599 k = 0.0000 0.0238-0.0000 ( 2913 PWs) bands (ev): -71.9692 -71.9692 -40.7561 -40.7561 -36.2720 -36.2720 -36.2720 -36.2720 5.4663 5.4663 8.1957 8.1957 8.1962 8.1962 8.9009 8.9009 8.9011 8.9011 9.0339 9.0339 9.6349 9.6349 11.4015 11.4015 11.4040 11.4040 11.5101 11.5101 12.4842 12.4842 12.4885 12.4885 13.3200 13.3200 13.3240 13.3240 13.4238 13.4238 13.4278 13.4278 13.4648 13.4648 13.5807 13.5807 13.6898 13.6898 13.7498 13.7498 13.7560 13.7560 k = 0.0000 0.0357-0.0000 ( 2913 PWs) bands (ev): -71.9692 -71.9692 -40.7561 -40.7561 -36.2720 -36.2720 -36.2720 -36.2720 5.4745 5.4745 8.1991 8.1991 8.2002 8.2002 8.9032 8.9032 8.9037 8.9037 9.0365 9.0365 9.6379 9.6379 11.4002 11.4002 11.4059 11.4059 11.5105 11.5105 12.4800 12.4800 12.4897 12.4897 13.3123 13.3123 13.3217 13.3217 13.4103 13.4103 13.4159 13.4159 13.4599 13.4599 13.5744 13.5744 13.6769 13.6769 13.7367 13.7367 13.7515 13.7515 k = 0.0000 0.0476-0.0000 ( 2913 PWs) bands (ev): -71.9692 -71.9692 -40.7561 -40.7561 -36.2721 -36.2721 -36.2720 -36.2720 5.4860 5.4860 8.2039 8.2039 8.2058 8.2058 8.9064 8.9064 8.9074 8.9074 9.0401 9.0401 9.6421 9.6421 11.3983 11.3983 11.4085 11.4085 11.5112 11.5112 12.4740 12.4740 12.4912 12.4912 13.3001 13.3001 13.3180 13.3180 13.3920 13.3920 13.3956 13.3956 13.4558 13.4558 13.5664 13.5664 13.6588 13.6588 13.7203 13.7203 13.7478 13.7478 k = 0.0000 0.0595-0.0000 ( 2913 PWs) bands (ev): -71.9692 -71.9692 -40.7561 -40.7561 -36.2721 -36.2721 -36.2720 -36.2720 5.5007 5.5007 8.2101 8.2101 8.2130 8.2130 8.9104 8.9104 8.9121 8.9121 9.0447 9.0447 9.6474 9.6474 11.3955 11.3955 11.4118 11.4118 11.5123 11.5123 12.4664 12.4664 12.4933 12.4933 13.2817 13.2817 13.3119 13.3119 13.3673 13.3673 13.3705 13.3705 13.4529 13.4529 13.5573 13.5573 13.6369 13.6369 13.7020 13.7020 13.7450 13.7450 k = 0.0000 0.0714-0.0000 ( 2905 PWs) bands (ev): -71.9692 -71.9692 -40.7561 -40.7561 -36.2721 -36.2721 -36.2720 -36.2720 5.5188 5.5188 8.2176 8.2176 8.2217 8.2217 8.9154 8.9154 8.9179 8.9179 9.0503 9.0503 9.6539 9.6539 11.3919 11.3919 11.4159 11.4159 11.5140 11.5140 12.4570 12.4570 12.4957 12.4957 13.2544 13.2544 13.2982 13.2982 13.3370 13.3370 13.3485 13.3485 13.4507 13.4507 13.5475 13.5475 13.6130 13.6130 13.6827 13.6827 13.7431 13.7431 k = 0.0000 0.0833-0.0000 ( 2897 PWs) bands (ev): -71.9692 -71.9692 -40.7561 -40.7561 -36.2722 -36.2722 -36.2720 -36.2720 5.5400 5.5400 8.2263 8.2263 8.2318 8.2318 8.9213 8.9213 8.9247 8.9247 9.0570 9.0570 9.6615 9.6615 11.3872 11.3872 11.4206 11.4206 11.5163 11.5163 12.4458 12.4458 12.4986 12.4986 13.2169 13.2169 13.2637 13.2637 13.3187 13.3187 13.3279 13.3279 13.4486 13.4486 13.5372 13.5372 13.5882 13.5882 13.6628 13.6628 13.7418 13.7418 k = 0.0000 0.0952-0.0000 ( 2897 PWs) bands (ev): -71.9692 -71.9692 -40.7562 -40.7562 -36.2723 -36.2723 -36.2720 -36.2720 5.5645 5.5645 8.2363 8.2363 8.2433 8.2433 8.9280 8.9280 8.9324 8.9324 9.0646 9.0646 9.6702 9.6702 11.3814 11.3814 11.4260 11.4260 11.5193 11.5193 12.4330 12.4330 12.5019 12.5019 13.1697 13.1697 13.2131 13.2131 13.3088 13.3088 13.3091 13.3091 13.4463 13.4463 13.5267 13.5267 13.5632 13.5632 13.6425 13.6425 13.7408 13.7408 k = 0.0000 0.1071-0.0000 ( 2889 PWs) bands (ev): -71.9692 -71.9692 -40.7562 -40.7562 -36.2723 -36.2723 -36.2720 -36.2720 5.5922 5.5922 8.2476 8.2476 8.2561 8.2561 8.9356 8.9356 8.9412 8.9412 9.0732 9.0732 9.6800 9.6800 11.3745 11.3745 11.4319 11.4319 11.5231 11.5231 12.4184 12.4184 12.5056 12.5056 13.1151 13.1151 13.1548 13.1548 13.2904 13.2904 13.3011 13.3011 13.4437 13.4437 13.5161 13.5161 13.5382 13.5382 13.6218 13.6218 13.7400 13.7400 k = 0.0000 0.1190-0.0000 ( 2889 PWs) bands (ev): -71.9692 -71.9692 -40.7562 -40.7562 -36.2724 -36.2724 -36.2720 -36.2720 5.6231 5.6231 8.2600 8.2600 8.2701 8.2701 8.9439 8.9439 8.9509 8.9509 9.0828 9.0828 9.6909 9.6909 11.3664 11.3664 11.4385 11.4385 11.5277 11.5277 12.4020 12.4020 12.5098 12.5098 13.0549 13.0549 13.0919 13.0919 13.2717 13.2717 13.2930 13.2930 13.4403 13.4403 13.5056 13.5056 13.5129 13.5129 13.6006 13.6006 13.7395 13.7395 k = 0.0000 0.1310-0.0000 ( 2881 PWs) bands (ev): -71.9692 -71.9692 -40.7562 -40.7562 -36.2725 -36.2725 -36.2720 -36.2720 5.6572 5.6572 8.2736 8.2736 8.2853 8.2853 8.9531 8.9531 8.9615 8.9615 9.0933 9.0933 9.7028 9.7028 11.3571 11.3571 11.4455 11.4455 11.5330 11.5330 12.3838 12.3838 12.5143 12.5143 12.9909 12.9909 13.0258 13.0258 13.2523 13.2523 13.2842 13.2842 13.4357 13.4357 13.4872 13.4872 13.4955 13.4955 13.5789 13.5789 13.7390 13.7390 k = 0.0000 0.1429-0.0000 ( 2885 PWs) bands (ev): -71.9692 -71.9692 -40.7563 -40.7563 -36.2726 -36.2726 -36.2720 -36.2720 5.6943 5.6943 8.2882 8.2882 8.3014 8.3014 8.9629 8.9629 8.9731 8.9731 9.1048 9.1048 9.7157 9.7157 11.3468 11.3468 11.4530 11.4530 11.5390 11.5390 12.3637 12.3637 12.5192 12.5192 12.9243 12.9243 12.9576 12.9576 13.2320 13.2320 13.2746 13.2746 13.4294 13.4294 13.4610 13.4610 13.4863 13.4863 13.5567 13.5567 13.7386 13.7386 k = 0.0000 0.1548-0.0000 ( 2877 PWs) bands (ev): -71.9692 -71.9692 -40.7563 -40.7563 -36.2727 -36.2727 -36.2720 -36.2720 5.7346 5.7346 8.3039 8.3039 8.3184 8.3184 8.9736 8.9736 8.9856 8.9856 9.1172 9.1172 9.7296 9.7296 11.3354 11.3354 11.4609 11.4609 11.5455 11.5455 12.3418 12.3418 12.5245 12.5245 12.8561 12.8561 12.8883 12.8883 13.2104 13.2104 13.2641 13.2641 13.4207 13.4207 13.4340 13.4340 13.4784 13.4784 13.5341 13.5341 13.7383 13.7383 k = 0.0000 0.1667-0.0000 ( 2877 PWs) bands (ev): -71.9691 -71.9691 -40.7563 -40.7563 -36.2728 -36.2728 -36.2720 -36.2720 5.7779 5.7779 8.3204 8.3204 8.3362 8.3362 8.9848 8.9848 8.9988 8.9988 9.1305 9.1305 9.7444 9.7444 11.3230 11.3230 11.4689 11.4689 11.5525 11.5525 12.3179 12.3179 12.5301 12.5301 12.7871 12.7871 12.8186 12.8186 13.1876 13.1876 13.2526 13.2526 13.4061 13.4061 13.4093 13.4093 13.4721 13.4721 13.5115 13.5115 13.7380 13.7380 k = 0.0000 0.1786-0.0000 ( 2877 PWs) bands (ev): -71.9691 -71.9691 -40.7564 -40.7564 -36.2730 -36.2730 -36.2720 -36.2720 5.8242 5.8242 8.3378 8.3378 8.3546 8.3546 8.9968 8.9968 9.0129 9.0129 9.1447 9.1447 9.7601 9.7601 11.3097 11.3097 11.4771 11.4771 11.5596 11.5596 12.2920 12.2920 12.5359 12.5359 12.7181 12.7181 12.7492 12.7492 13.1635 13.1635 13.2401 13.2401 13.3773 13.3773 13.3950 13.3950 13.4669 13.4669 13.4894 13.4894 13.7378 13.7378 k = 0.0000 0.1905-0.0000 ( 2870 PWs) bands (ev): -71.9691 -71.9691 -40.7564 -40.7564 -36.2731 -36.2731 -36.2720 -36.2720 5.8735 5.8735 8.3561 8.3561 8.3733 8.3733 9.0093 9.0093 9.0278 9.0278 9.1598 9.1598 9.7767 9.7767 11.2956 11.2956 11.4853 11.4853 11.5669 11.5669 12.2639 12.2639 12.5417 12.5417 12.6497 12.6497 12.6809 12.6809 13.1380 13.1380 13.2265 13.2265 13.3475 13.3475 13.3780 13.3780 13.4597 13.4597 13.4709 13.4709 13.7376 13.7376 k = 0.0000 0.2024-0.0000 ( 2862 PWs) bands (ev): -71.9691 -71.9691 -40.7564 -40.7564 -36.2732 -36.2732 -36.2720 -36.2720 5.9257 5.9257 8.3751 8.3751 8.3922 8.3922 9.0224 9.0224 9.0434 9.0434 9.1757 9.1757 9.7941 9.7941 11.2808 11.2808 11.4932 11.4932 11.5740 11.5740 12.2335 12.2335 12.5464 12.5464 12.5823 12.5823 12.6154 12.6154 13.1111 13.1111 13.2118 13.2118 13.3165 13.3165 13.3581 13.3581 13.4426 13.4426 13.4641 13.4641 13.7374 13.7374 k = 0.0000 0.2143-0.0000 ( 2870 PWs) bands (ev): -71.9691 -71.9691 -40.7565 -40.7565 -36.2733 -36.2733 -36.2720 -36.2720 5.9808 5.9808 8.3946 8.3946 8.4110 8.4110 9.0360 9.0360 9.0596 9.0596 9.1923 9.1923 9.8123 9.8123 11.2653 11.2653 11.5006 11.5006 11.5806 11.5806 12.2006 12.2006 12.5166 12.5166 12.5345 12.5345 12.5687 12.5687 13.0827 13.0827 13.1961 13.1961 13.2842 13.2842 13.3356 13.3356 13.4232 13.4232 13.4614 13.4614 13.7192 13.7193 k = 0.0000 0.2262-0.0000 ( 2870 PWs) bands (ev): -71.9691 -71.9691 -40.7565 -40.7565 -36.2735 -36.2735 -36.2720 -36.2720 6.0386 6.0386 8.4147 8.4147 8.4296 8.4296 9.0500 9.0500 9.0763 9.0763 9.2097 9.2097 9.8314 9.8314 11.2492 11.2492 11.5072 11.5072 11.5863 11.5863 12.1649 12.1649 12.4532 12.4532 12.4794 12.4794 12.5679 12.5679 13.0525 13.0525 13.1793 13.1793 13.2504 13.2504 13.3106 13.3106 13.4048 13.4048 13.4596 13.4596 13.5887 13.5887 k = 0.0000 0.2381-0.0000 ( 2870 PWs) bands (ev): -71.9691 -71.9691 -40.7566 -40.7566 -36.2736 -36.2736 -36.2720 -36.2720 6.0992 6.0992 8.4352 8.4352 8.4475 8.4475 9.0644 9.0644 9.0936 9.0936 9.2278 9.2278 9.8512 9.8512 11.2327 11.2327 11.5126 11.5126 11.5907 11.5907 12.1261 12.1261 12.3925 12.3925 12.4206 12.4206 12.5743 12.5743 13.0202 13.0202 13.1616 13.1616 13.2142 13.2142 13.2833 13.2833 13.3876 13.3876 13.4581 13.4581 13.4647 13.4647 k = 0.0000 0.2500-0.0000 ( 2870 PWs) bands (ev): -71.9691 -71.9691 -40.7566 -40.7566 -36.2737 -36.2737 -36.2720 -36.2720 6.1624 6.1624 8.4560 8.4560 8.4646 8.4646 9.0791 9.0791 9.1113 9.1113 9.2466 9.2466 9.8718 9.8718 11.2158 11.2158 11.5163 11.5163 11.5933 11.5933 12.0840 12.0840 12.3352 12.3352 12.3648 12.3648 12.5817 12.5817 12.9849 12.9849 13.1430 13.1430 13.1744 13.1744 13.2542 13.2542 13.3508 13.3508 13.3716 13.3716 13.4570 13.4570 k = 0.0000 0.2619-0.0000 ( 2870 PWs) bands (ev): -71.9691 -71.9691 -40.7567 -40.7567 -36.2738 -36.2738 -36.2720 -36.2720 6.2282 6.2282 8.4770 8.4770 8.4804 8.4804 9.0940 9.0940 9.1293 9.1293 9.2660 9.2660 9.8932 9.8932 11.1987 11.1987 11.5178 11.5178 11.5933 11.5933 12.0380 12.0380 12.2822 12.2822 12.3134 12.3134 12.5896 12.5896 12.9451 12.9451 13.1236 13.1236 13.1273 13.1273 13.2236 13.2236 13.2532 13.2532 13.3565 13.3565 13.4560 13.4560 k = 0.0000 0.2738-0.0000 ( 2858 PWs) bands (ev): -71.9691 -71.9691 -40.7567 -40.7567 -36.2740 -36.2740 -36.2720 -36.2720 6.2965 6.2965 8.4945 8.4945 8.4982 8.4982 9.1092 9.1092 9.1476 9.1476 9.2859 9.2859 9.9154 9.9154 11.1813 11.1813 11.5165 11.5165 11.5903 11.5903 11.9879 11.9879 12.2342 12.2342 12.2675 12.2675 12.5978 12.5978 12.8981 12.8981 13.0697 13.0697 13.1035 13.1035 13.1791 13.1791 13.1917 13.1917 13.3423 13.3423 13.4551 13.4551 k = 0.0000 0.2857-0.0000 ( 2862 PWs) bands (ev): -71.9691 -71.9691 -40.7567 -40.7567 -36.2741 -36.2741 -36.2720 -36.2720 6.3671 6.3671 8.5067 8.5067 8.5193 8.5193 9.1244 9.1244 9.1659 9.1659 9.3063 9.3063 9.9385 9.9385 11.1639 11.1639 11.5117 11.5117 11.5833 11.5833 11.9331 11.9331 12.1920 12.1920 12.2277 12.2277 12.6062 12.6062 12.8409 12.8409 13.0089 13.0089 13.0829 13.0829 13.1254 13.1254 13.1590 13.1590 13.3287 13.3287 13.4544 13.4544 k = 0.0000 0.2976-0.0000 ( 2862 PWs) bands (ev): -71.9691 -71.9691 -40.7568 -40.7568 -36.2742 -36.2742 -36.2720 -36.2720 6.4399 6.4399 8.5163 8.5163 8.5402 8.5402 9.1396 9.1396 9.1842 9.1842 9.3270 9.3270 9.9624 9.9624 11.1465 11.1465 11.5026 11.5026 11.5719 11.5719 11.8737 11.8737 12.1563 12.1563 12.1950 12.1950 12.6148 12.6148 12.7744 12.7744 12.9554 12.9554 13.0620 13.0620 13.0819 13.0819 13.1256 13.1256 13.3158 13.3158 13.4538 13.4538 k = 0.0000 0.3095-0.0000 ( 2862 PWs) bands (ev): -71.9691 -71.9691 -40.7568 -40.7568 -36.2743 -36.2743 -36.2720 -36.2720 6.5149 6.5149 8.5230 8.5230 8.5609 8.5609 9.1547 9.1547 9.2024 9.2024 9.3480 9.3480 9.9872 9.9872 11.1292 11.1292 11.4888 11.4888 11.5557 11.5557 11.8100 11.8100 12.1276 12.1276 12.1697 12.1697 12.6235 12.6235 12.7037 12.7037 12.9106 12.9106 13.0409 13.0409 13.0425 13.0425 13.0917 13.0917 13.3034 13.3034 13.4532 13.4532 k = 0.0000 0.3214-0.0000 ( 2862 PWs) bands (ev): -71.9691 -71.9691 -40.7568 -40.7568 -36.2745 -36.2745 -36.2720 -36.2720 6.5918 6.5918 8.5263 8.5263 8.5813 8.5813 9.1697 9.1697 9.2204 9.2204 9.3692 9.3692 10.0130 10.0130 11.1122 11.1122 11.4699 11.4699 11.5349 11.5349 11.7426 11.7426 12.1061 12.1061 12.1518 12.1518 12.6323 12.6323 12.6346 12.6346 12.8718 12.8718 13.0049 13.0049 13.0197 13.0197 13.0574 13.0574 13.2916 13.2916 13.4527 13.4527 k = 0.0000 0.3333-0.0000 ( 2862 PWs) bands (ev): -71.9691 -71.9691 -40.7569 -40.7569 -36.2746 -36.2746 -36.2720 -36.2720 6.6704 6.6704 8.5257 8.5257 8.6011 8.6011 9.1843 9.1843 9.2380 9.2380 9.3903 9.3903 10.0399 10.0399 11.0955 11.0955 11.4457 11.4457 11.5099 11.5099 11.6727 11.6727 12.0915 12.0915 12.1410 12.1410 12.5701 12.5701 12.6412 12.6412 12.8367 12.8367 12.9685 12.9685 12.9987 12.9987 13.0230 13.0230 13.2802 13.2802 13.4522 13.4522 k = 0.0000 0.3452-0.0000 ( 2862 PWs) bands (ev): -71.9691 -71.9691 -40.7569 -40.7569 -36.2747 -36.2747 -36.2720 -36.2720 6.7507 6.7507 8.5207 8.5207 8.6202 8.6202 9.1986 9.1986 9.2552 9.2552 9.4114 9.4114 10.0679 10.0679 11.0792 11.0792 11.4159 11.4159 11.4816 11.4816 11.6022 11.6022 12.0834 12.0834 12.1366 12.1366 12.5118 12.5118 12.6501 12.6501 12.8041 12.8041 12.9327 12.9327 12.9778 12.9778 12.9886 12.9886 13.2694 13.2694 13.4518 13.4518 k = 0.0000 0.3571-0.0000 ( 2858 PWs) bands (ev): -71.9690 -71.9690 -40.7570 -40.7570 -36.2748 -36.2748 -36.2720 -36.2720 6.8324 6.8324 8.5110 8.5110 8.6386 8.6386 9.2125 9.2125 9.2718 9.2718 9.4322 9.4322 10.0971 10.0971 11.0636 11.0636 11.3797 11.3797 11.4509 11.4509 11.5340 11.5340 12.0810 12.0810 12.1377 12.1377 12.4598 12.4598 12.6590 12.6590 12.7734 12.7734 12.8977 12.8977 12.9540 12.9540 12.9579 12.9579 13.2591 13.2591 13.4514 13.4514 k = 0.0000 0.3690-0.0000 ( 2854 PWs) bands (ev): -71.9690 -71.9690 -40.7570 -40.7570 -36.2749 -36.2749 -36.2721 -36.2721 6.9151 6.9151 8.4960 8.4960 8.6560 8.6560 9.2257 9.2257 9.2878 9.2878 9.4525 9.4525 10.1276 10.1276 11.0486 11.0486 11.3354 11.3354 11.4189 11.4189 11.4716 11.4716 12.0833 12.0833 12.1434 12.1434 12.4141 12.4141 12.6679 12.6679 12.7446 12.7446 12.8634 12.8634 12.9203 12.9203 12.9378 12.9378 13.2494 13.2494 13.4511 13.4511 k = 0.0000 0.3810-0.0000 ( 2854 PWs) bands (ev): -71.9690 -71.9690 -40.7570 -40.7570 -36.2750 -36.2750 -36.2721 -36.2721 6.9986 6.9986 8.4757 8.4757 8.6725 8.6725 9.2383 9.2383 9.3029 9.3029 9.4722 9.4722 10.1593 10.1593 11.0345 11.0345 11.2820 11.2820 11.3865 11.3865 11.4182 11.4182 12.0896 12.0896 12.1526 12.1526 12.3742 12.3742 12.6767 12.6767 12.7175 12.7175 12.8299 12.8299 12.8870 12.8870 12.9187 12.9187 13.2402 13.2402 13.4508 13.4508 k = 0.0000 0.3929-0.0000 ( 2854 PWs) bands (ev): -71.9690 -71.9690 -40.7570 -40.7570 -36.2751 -36.2751 -36.2721 -36.2721 7.0826 7.0826 8.4497 8.4497 8.6878 8.6878 9.2500 9.2500 9.3172 9.3172 9.4911 9.4911 10.1922 10.1922 11.0213 11.0213 11.2210 11.2210 11.3547 11.3547 11.3742 11.3742 12.0989 12.0989 12.1647 12.1647 12.3395 12.3395 12.6853 12.6853 12.6922 12.6922 12.7975 12.7975 12.8546 12.8546 12.9004 12.9004 13.2317 13.2317 13.4505 13.4505 k = 0.0000 0.4048-0.0000 ( 2862 PWs) bands (ev): -71.9690 -71.9690 -40.7571 -40.7571 -36.2751 -36.2751 -36.2721 -36.2721 7.1665 7.1665 8.4183 8.4183 8.7018 8.7018 9.2609 9.2609 9.3304 9.3304 9.5088 9.5088 10.2263 10.2263 11.0091 11.0091 11.1561 11.1561 11.3243 11.3243 11.3375 11.3375 12.1104 12.1104 12.1788 12.1788 12.3097 12.3097 12.6689 12.6689 12.6937 12.6937 12.7663 12.7663 12.8233 12.8233 12.8830 12.8830 13.2238 13.2238 13.4503 13.4503 k = 0.0000 0.4167-0.0000 ( 2862 PWs) bands (ev): -71.9690 -71.9690 -40.7571 -40.7571 -36.2752 -36.2752 -36.2721 -36.2721 7.2499 7.2499 8.3815 8.3815 8.7144 8.7144 9.2708 9.2708 9.3425 9.3425 9.5252 9.5252 10.2615 10.2615 10.9980 10.9980 11.0906 11.0906 11.2959 11.2959 11.3061 11.3061 12.1235 12.1235 12.1943 12.1943 12.2843 12.2843 12.6478 12.6478 12.7018 12.7018 12.7366 12.7366 12.7936 12.7936 12.8665 12.8665 13.2167 13.2167 13.4501 13.4501 k = 0.0000 0.4286-0.0000 ( 2878 PWs) bands (ev): -71.9691 -71.9691 -40.7571 -40.7571 -36.2753 -36.2753 -36.2721 -36.2721 7.3318 7.3318 8.3401 8.3401 8.7255 8.7255 9.2795 9.2795 9.3533 9.3533 9.5400 9.5400 10.2974 10.2974 10.9882 10.9882 11.0268 11.0268 11.2701 11.2701 11.2792 11.2792 12.1374 12.1374 12.2104 12.2104 12.2630 12.2630 12.6291 12.6291 12.7089 12.7089 12.7091 12.7091 12.7663 12.7663 12.8512 12.8512 13.2104 13.2104 13.4499 13.4499 k = 0.0000 0.4405-0.0000 ( 2878 PWs) bands (ev): -71.9691 -71.9691 -40.7571 -40.7571 -36.2753 -36.2753 -36.2721 -36.2721 7.4114 7.4114 8.2949 8.2949 8.7351 8.7351 9.2871 9.2871 9.3628 9.3628 9.5531 9.5531 10.3337 10.3337 10.9663 10.9663 10.9797 10.9797 11.2474 11.2474 11.2562 11.2562 12.1513 12.1513 12.2264 12.2264 12.2453 12.2453 12.6130 12.6130 12.6835 12.6835 12.7136 12.7136 12.7440 12.7440 12.8370 12.8370 13.2049 13.2049 13.4498 13.4498 k = 0.0000 0.4524-0.0000 ( 2870 PWs) bands (ev): -71.9690 -71.9690 -40.7571 -40.7571 -36.2754 -36.2754 -36.2721 -36.2721 7.4869 7.4869 8.2474 8.2474 8.7431 8.7431 9.2935 9.2935 9.3708 9.3708 9.5642 9.5642 10.3694 10.3694 10.9103 10.9103 10.9726 10.9726 11.2283 11.2283 11.2372 11.2372 12.1645 12.1645 12.2311 12.2311 12.2415 12.2415 12.5996 12.5996 12.6611 12.6611 12.7067 12.7067 12.7358 12.7358 12.8241 12.8241 13.2004 13.2004 13.4496 13.4496 k = 0.0000 0.4643-0.0000 ( 2870 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2754 -36.2754 -36.2721 -36.2721 7.5559 7.5559 8.2002 8.2002 8.7494 8.7494 9.2985 9.2985 9.3772 9.3772 9.5731 9.5731 10.4031 10.4031 10.8606 10.8606 10.9671 10.9671 11.2130 11.2130 11.2223 11.2223 12.1764 12.1764 12.2200 12.2200 12.2547 12.2547 12.5893 12.5893 12.6424 12.6424 12.6910 12.6910 12.7398 12.7398 12.8126 12.8126 13.1967 13.1967 13.4496 13.4496 k = 0.0000 0.4762-0.0000 ( 2874 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2754 -36.2754 -36.2721 -36.2721 7.6141 7.6141 8.1575 8.1575 8.7539 8.7539 9.3021 9.3021 9.3818 9.3818 9.5796 9.5796 10.4325 10.4325 10.8198 10.8198 10.9630 10.9630 11.2018 11.2018 11.2115 11.2115 12.1862 12.1862 12.2116 12.2116 12.2651 12.2651 12.5819 12.5819 12.6280 12.6280 12.6773 12.6773 12.7457 12.7457 12.8028 12.8028 13.1941 13.1941 13.4495 13.4495 k = 0.0000 0.4881-0.0000 ( 2874 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2754 -36.2754 -36.2721 -36.2721 7.6549 7.6549 8.1260 8.1260 8.7567 8.7567 9.3042 9.3042 9.3846 9.3846 9.5835 9.5835 10.4534 10.4534 10.7920 10.7920 10.9606 10.9606 11.1951 11.1951 11.2050 11.2050 12.1937 12.1937 12.2053 12.2053 12.2719 12.2719 12.5777 12.5777 12.6190 12.6190 12.6684 12.6684 12.7507 12.7507 12.7957 12.7957 13.1926 13.1926 13.4495 13.4495 k = 0.0000 0.5000-0.0000 ( 2874 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2755 -36.2755 -36.2721 -36.2721 7.6699 7.6699 8.1140 8.1140 8.7576 8.7576 9.3050 9.3050 9.3855 9.3855 9.5849 9.5849 10.4612 10.4612 10.7819 10.7819 10.9598 10.9598 11.1928 11.1928 11.2028 11.2028 12.1981 12.1981 12.2014 12.2014 12.2742 12.2742 12.5763 12.5763 12.6158 12.6158 12.6653 12.6653 12.7528 12.7528 12.7930 12.7930 13.1920 13.1920 13.4494 13.4494 k = 0.0000 0.5000-0.0000 ( 2874 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2755 -36.2755 -36.2721 -36.2721 7.6699 7.6699 8.1140 8.1140 8.7576 8.7576 9.3050 9.3050 9.3855 9.3855 9.5849 9.5849 10.4612 10.4612 10.7819 10.7819 10.9598 10.9598 11.1928 11.1928 11.2028 11.2028 12.1981 12.1981 12.2014 12.2014 12.2742 12.2742 12.5763 12.5763 12.6158 12.6158 12.6653 12.6653 12.7528 12.7528 12.7930 12.7930 13.1920 13.1920 13.4494 13.4494 k = 0.0119 0.5000-0.0000 ( 2874 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2755 -36.2755 -36.2721 -36.2721 7.6714 7.6714 8.1147 8.1147 8.7583 8.7583 9.3053 9.3053 9.3855 9.3855 9.5848 9.5848 10.4619 10.4619 10.7809 10.7809 10.9600 10.9600 11.1926 11.1926 11.2026 11.2026 12.1733 12.1733 12.2188 12.2188 12.2816 12.2816 12.5720 12.5720 12.6171 12.6171 12.6648 12.6648 12.7528 12.7528 12.7971 12.7971 13.1922 13.1922 13.4483 13.4483 k = 0.0238 0.5000-0.0000 ( 2874 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2755 -36.2755 -36.2721 -36.2721 7.6758 7.6758 8.1168 8.1168 8.7606 8.7606 9.3061 9.3061 9.3854 9.3854 9.5846 9.5846 10.4641 10.4641 10.7780 10.7780 10.9608 10.9608 11.1920 11.1920 11.2021 11.2021 12.1435 12.1435 12.2285 12.2285 12.3015 12.3015 12.5611 12.5611 12.6197 12.6197 12.6633 12.6633 12.7530 12.7530 12.8087 12.8087 13.1928 13.1928 13.4450 13.4450 k = 0.0357 0.5000-0.0000 ( 2874 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2755 -36.2755 -36.2721 -36.2721 7.6830 7.6830 8.1202 8.1202 8.7645 8.7645 9.3075 9.3075 9.3854 9.3854 9.5843 9.5843 10.4676 10.4676 10.7732 10.7732 10.9621 10.9621 11.1907 11.1907 11.2014 11.2014 12.1124 12.1124 12.2328 12.2328 12.3281 12.3281 12.5461 12.5461 12.6219 12.6219 12.6614 12.6614 12.7532 12.7532 12.8266 12.8266 13.1938 13.1938 13.4395 13.4395 k = 0.0476 0.5000-0.0000 ( 2876 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2755 -36.2755 -36.2721 -36.2721 7.6932 7.6932 8.1250 8.1250 8.7699 8.7699 9.3094 9.3094 9.3853 9.3853 9.5838 9.5838 10.4725 10.4725 10.7666 10.7666 10.9639 10.9639 11.1883 11.1883 11.2010 11.2010 12.0808 12.0808 12.2349 12.2349 12.3568 12.3568 12.5289 12.5289 12.6231 12.6231 12.6592 12.6592 12.7535 12.7535 12.8491 12.8491 13.1954 13.1954 13.4318 13.4318 k = 0.0595 0.5000-0.0000 ( 2876 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2755 -36.2755 -36.2722 -36.2722 7.7063 7.7063 8.1310 8.1310 8.7767 8.7767 9.3119 9.3119 9.3852 9.3852 9.5833 9.5833 10.4789 10.4789 10.7583 10.7583 10.9663 10.9663 11.1847 11.1847 11.2010 11.2010 12.0492 12.0492 12.2363 12.2363 12.3855 12.3855 12.5107 12.5107 12.6235 12.6235 12.6569 12.6569 12.7538 12.7538 12.8752 12.8752 13.1977 13.1977 13.4220 13.4220 k = 0.0714 0.5000-0.0000 ( 2872 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2755 -36.2755 -36.2722 -36.2722 7.7222 7.7222 8.1383 8.1383 8.7851 8.7851 9.3151 9.3151 9.3853 9.3853 9.5828 9.5828 10.4865 10.4865 10.7485 10.7485 10.9691 10.9691 11.1798 11.1798 11.2013 11.2013 12.0177 12.0177 12.2374 12.2374 12.4121 12.4121 12.4933 12.4933 12.6231 12.6231 12.6547 12.6547 12.7541 12.7541 12.9041 12.9041 13.2008 13.2008 13.4103 13.4103 k = 0.0833 0.5000-0.0000 ( 2876 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2755 -36.2755 -36.2722 -36.2722 7.7409 7.7409 8.1467 8.1467 8.7949 8.7949 9.3187 9.3187 9.3854 9.3854 9.5823 9.5823 10.4955 10.4955 10.7372 10.7372 10.9724 10.9724 11.1735 11.1735 11.2018 11.2018 11.9865 11.9865 12.2383 12.2383 12.4311 12.4311 12.4820 12.4820 12.6220 12.6220 12.6524 12.6524 12.7542 12.7542 12.9353 12.9353 13.2050 13.2050 13.3967 13.3967 k = 0.0952 0.5000-0.0000 ( 2880 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2755 -36.2755 -36.2723 -36.2723 7.7624 7.7624 8.1562 8.1562 8.8061 8.8061 9.3229 9.3229 9.3857 9.3857 9.5818 9.5818 10.5058 10.5058 10.7246 10.7246 10.9762 10.9762 11.1660 11.1660 11.2026 11.2026 11.9556 11.9556 12.2392 12.2392 12.4295 12.4295 12.4893 12.4893 12.6203 12.6203 12.6503 12.6503 12.7543 12.7543 12.9684 12.9684 13.2105 13.2105 13.3812 13.3812 k = 0.1071 0.5000-0.0000 ( 2880 PWs) bands (ev): -71.9690 -71.9690 -40.7573 -40.7573 -36.2755 -36.2755 -36.2723 -36.2723 7.7867 7.7867 8.1667 8.1667 8.8188 8.8188 9.3276 9.3276 9.3862 9.3862 9.5814 9.5814 10.5174 10.5174 10.7109 10.7109 10.9804 10.9804 11.1572 11.1572 11.2036 11.2036 11.9252 11.9252 12.2400 12.2400 12.4133 12.4133 12.5090 12.5090 12.6182 12.6182 12.6483 12.6483 12.7541 12.7541 13.0031 13.0031 13.2177 13.2177 13.3641 13.3641 k = 0.1190 0.5000-0.0000 ( 2876 PWs) bands (ev): -71.9690 -71.9690 -40.7573 -40.7573 -36.2755 -36.2755 -36.2724 -36.2724 7.8136 7.8136 8.1780 8.1780 8.8328 8.8328 9.3330 9.3330 9.3870 9.3870 9.5811 9.5811 10.5302 10.5302 10.6964 10.6964 10.9851 10.9851 11.1471 11.1471 11.2047 11.2047 11.8954 11.8954 12.2407 12.2407 12.3932 12.3932 12.5300 12.5300 12.6156 12.6156 12.6466 12.6466 12.7536 12.7536 13.0393 13.0393 13.2269 13.2269 13.3456 13.3456 k = 0.1310 0.5000-0.0000 ( 2880 PWs) bands (ev): -71.9690 -71.9690 -40.7573 -40.7573 -36.2755 -36.2755 -36.2724 -36.2724 7.8432 7.8432 8.1902 8.1902 8.8482 8.8482 9.3389 9.3389 9.3882 9.3882 9.5810 9.5810 10.5441 10.5441 10.6810 10.6810 10.9902 10.9902 11.1358 11.1358 11.2060 11.2060 11.8661 11.8661 12.2410 12.2410 12.3718 12.3718 12.5492 12.5492 12.6127 12.6127 12.6455 12.6455 12.7528 12.7528 13.0769 13.0769 13.2383 13.2383 13.3257 13.3257 k = 0.1429 0.5000-0.0000 ( 2876 PWs) bands (ev): -71.9690 -71.9690 -40.7573 -40.7573 -36.2755 -36.2755 -36.2725 -36.2725 7.8755 7.8755 8.2029 8.2029 8.8648 8.8648 9.3454 9.3454 9.3899 9.3899 9.5811 9.5811 10.5591 10.5591 10.6651 10.6651 10.9957 10.9957 11.1231 11.1231 11.2073 11.2073 11.8374 11.8374 12.2407 12.2407 12.3502 12.3502 12.5652 12.5652 12.6094 12.6094 12.6451 12.6451 12.7515 12.7515 13.1158 13.1158 13.2522 13.2522 13.3046 13.3046 k = 0.1548 0.5000-0.0000 ( 2868 PWs) bands (ev): -71.9690 -71.9690 -40.7573 -40.7573 -36.2755 -36.2755 -36.2725 -36.2725 7.9102 7.9102 8.2162 8.2162 8.8827 8.8827 9.3525 9.3525 9.3922 9.3922 9.5816 9.5816 10.5750 10.5750 10.6488 10.6488 11.0016 11.0016 11.1091 11.1091 11.2088 11.2088 11.8093 11.8093 12.2391 12.2391 12.3292 12.3292 12.5771 12.5772 12.6057 12.6057 12.6459 12.6459 12.7496 12.7496 13.1558 13.1558 13.2681 13.2681 13.2835 13.2835 k = 0.1667 0.5000-0.0000 ( 2872 PWs) bands (ev): -71.9690 -71.9690 -40.7574 -40.7574 -36.2756 -36.2756 -36.2726 -36.2726 7.9473 7.9473 8.2299 8.2299 8.9017 8.9017 9.3601 9.3601 9.3951 9.3951 9.5823 9.5823 10.5912 10.5912 10.6329 10.6329 11.0078 11.0078 11.0939 11.0939 11.2103 11.2103 11.7820 11.7820 12.2346 12.2346 12.3103 12.3103 12.5847 12.5847 12.6018 12.6018 12.6477 12.6477 12.7470 12.7470 13.1968 13.1968 13.2586 13.2586 13.2902 13.2902 k = 0.1786 0.5000-0.0000 ( 2880 PWs) bands (ev): -71.9690 -71.9690 -40.7574 -40.7574 -36.2756 -36.2756 -36.2727 -36.2727 7.9868 7.9868 8.2437 8.2437 8.9219 8.9219 9.3682 9.3682 9.3987 9.3987 9.5833 9.5833 10.6026 10.6026 10.6225 10.6225 11.0144 11.0144 11.0774 11.0774 11.2118 11.2118 11.7553 11.7553 12.2250 12.2250 12.2959 12.2959 12.5882 12.5882 12.5978 12.5978 12.6502 12.6502 12.7437 12.7437 13.2305 13.2305 13.2438 13.2438 13.3131 13.3131 k = 0.1905 0.5000-0.0000 ( 2876 PWs) bands (ev): -71.9690 -71.9690 -40.7574 -40.7574 -36.2756 -36.2756 -36.2727 -36.2727 8.0285 8.0285 8.2577 8.2577 8.9431 8.9431 9.3768 9.3768 9.4034 9.4034 9.5849 9.5849 10.5929 10.5929 10.6339 10.6339 11.0212 11.0212 11.0597 11.0597 11.2134 11.2134 11.7294 11.7294 12.2086 12.2086 12.2875 12.2875 12.5881 12.5881 12.5939 12.5939 12.6524 12.6524 12.7396 12.7396 13.2097 13.2097 13.2837 13.2837 13.3395 13.3395 k = 0.2024 0.5000-0.0000 ( 2878 PWs) bands (ev): -71.9690 -71.9690 -40.7575 -40.7575 -36.2756 -36.2756 -36.2728 -36.2728 8.0723 8.0723 8.2716 8.2716 8.9653 8.9653 9.3857 9.3857 9.4092 9.4092 9.5870 9.5870 10.5766 10.5766 10.6527 10.6527 11.0281 11.0281 11.0411 11.0411 11.2150 11.2150 11.7043 11.7043 12.1863 12.1863 12.2844 12.2844 12.5851 12.5851 12.5904 12.5904 12.6535 12.6535 12.7347 12.7347 13.1853 13.1853 13.3279 13.3279 13.3692 13.3692 k = 0.2143 0.5000-0.0000 ( 2874 PWs) bands (ev): -71.9690 -71.9690 -40.7575 -40.7575 -36.2756 -36.2756 -36.2729 -36.2729 8.1180 8.1180 8.2853 8.2853 8.9884 8.9884 9.3948 9.3948 9.4163 9.4163 9.5897 9.5897 10.5595 10.5595 10.6730 10.6730 11.0204 11.0204 11.0361 11.0361 11.2167 11.2167 11.6800 11.6800 12.1600 12.1600 12.2844 12.2844 12.5804 12.5804 12.5867 12.5867 12.6529 12.6529 12.7288 12.7288 13.1605 13.1605 13.3732 13.3732 13.4019 13.4019 k = 0.2262 0.5000-0.0000 ( 2870 PWs) bands (ev): -71.9690 -71.9690 -40.7575 -40.7575 -36.2757 -36.2757 -36.2729 -36.2729 8.1654 8.1654 8.2988 8.2988 9.0123 9.0123 9.4040 9.4040 9.4249 9.4249 9.5931 9.5931 10.5424 10.5424 10.6943 10.6943 10.9996 10.9996 11.0435 11.0435 11.2183 11.2183 11.6566 11.6566 12.1311 12.1311 12.2864 12.2864 12.5748 12.5748 12.5824 12.5824 12.6503 12.6503 12.7220 12.7220 13.1356 13.1356 13.4091 13.4091 13.4202 13.4202 k = 0.2381 0.5000-0.0000 ( 2870 PWs) bands (ev): -71.9690 -71.9690 -40.7575 -40.7575 -36.2757 -36.2757 -36.2730 -36.2730 8.2141 8.2141 8.3122 8.3122 9.0370 9.0370 9.4131 9.4131 9.4351 9.4351 9.5972 9.5972 10.5255 10.5255 10.7161 10.7161 10.9775 10.9775 11.0511 11.0511 11.2199 11.2199 11.6341 11.6341 12.1001 12.1001 12.2896 12.2896 12.5688 12.5688 12.5775 12.5775 12.6457 12.6457 12.7142 12.7142 13.1108 13.1108 13.3800 13.3800 13.4670 13.4670 k = 0.2500 0.5000-0.0000 ( 2854 PWs) bands (ev): -71.9690 -71.9690 -40.7575 -40.7575 -36.2757 -36.2757 -36.2730 -36.2730 8.2631 8.2631 8.3261 8.3261 9.0623 9.0623 9.4224 9.4224 9.4466 9.4466 9.6024 9.6024 10.5088 10.5088 10.7385 10.7385 10.9545 10.9545 11.0590 11.0590 11.2216 11.2216 11.6125 11.6125 12.0676 12.0676 12.2937 12.2937 12.5623 12.5623 12.5719 12.5719 12.6392 12.6392 12.7056 12.7056 13.0864 13.0864 13.3498 13.3498 13.5144 13.5144 k = 0.2619 0.5000-0.0000 ( 2870 PWs) bands (ev): -71.9690 -71.9690 -40.7576 -40.7576 -36.2758 -36.2758 -36.2731 -36.2731 8.3080 8.3080 8.3448 8.3448 9.0880 9.0880 9.4317 9.4317 9.4591 9.4591 9.6087 9.6087 10.4924 10.4924 10.7612 10.7612 10.9305 10.9305 11.0668 11.0668 11.2231 11.2231 11.5919 11.5919 12.0336 12.0336 12.2985 12.2985 12.5555 12.5555 12.5659 12.5659 12.6310 12.6310 12.6960 12.6960 13.0625 13.0625 13.3193 13.3193 13.5589 13.5589 k = 0.2738 0.5000-0.0000 ( 2870 PWs) bands (ev): -71.9690 -71.9690 -40.7576 -40.7576 -36.2758 -36.2758 -36.2732 -36.2732 8.3344 8.3344 8.3821 8.3821 9.1142 9.1142 9.4414 9.4414 9.4723 9.4723 9.6164 9.6164 10.4764 10.4764 10.7840 10.7840 10.9057 10.9057 11.0748 11.0748 11.2246 11.2246 11.5724 11.5724 11.9984 11.9984 12.3039 12.3039 12.5482 12.5482 12.5594 12.5594 12.6212 12.6212 12.6855 12.6855 13.0392 13.0392 13.2885 13.2885 13.6040 13.6040 k = 0.2857 0.5000-0.0000 ( 2870 PWs) bands (ev): -71.9690 -71.9690 -40.7576 -40.7576 -36.2759 -36.2759 -36.2732 -36.2732 8.3476 8.3476 8.4325 8.4325 9.1407 9.1407 9.4516 9.4516 9.4860 9.4860 9.6257 9.6257 10.4608 10.4608 10.8066 10.8066 10.8803 10.8803 11.0827 11.0827 11.2261 11.2261 11.5539 11.5539 11.9620 11.9620 12.3100 12.3100 12.5407 12.5407 12.5524 12.5524 12.6102 12.6102 12.6740 12.6740 13.0167 13.0167 13.2576 13.2576 13.6509 13.6509 k = 0.2976 0.5000-0.0000 ( 2870 PWs) bands (ev): -71.9690 -71.9690 -40.7577 -40.7577 -36.2759 -36.2759 -36.2733 -36.2733 8.3574 8.3574 8.4860 8.4860 9.1674 9.1674 9.4621 9.4621 9.5000 9.5000 9.6368 9.6368 10.4457 10.4457 10.8272 10.8272 10.8560 10.8560 11.0905 11.0905 11.2275 11.2275 11.5365 11.5365 11.9246 11.9246 12.3165 12.3165 12.5328 12.5328 12.5450 12.5450 12.5982 12.5982 12.6618 12.6618 12.9950 12.9950 13.2266 13.2266 13.6996 13.6996 k = 0.3095 0.5000-0.0000 ( 2872 PWs) bands (ev): -71.9690 -71.9690 -40.7577 -40.7577 -36.2759 -36.2759 -36.2733 -36.2733 8.3656 8.3656 8.5402 8.5402 9.1941 9.1941 9.4730 9.4730 9.5141 9.5141 9.6500 9.6500 10.4311 10.4311 10.8221 10.8221 10.8565 10.8565 11.0983 11.0983 11.2288 11.2288 11.5203 11.5203 11.8864 11.8864 12.3236 12.3236 12.5247 12.5247 12.5373 12.5373 12.5855 12.5855 12.6487 12.6487 12.9744 12.9744 13.1957 13.1957 13.7499 13.7499 k = 0.3214 0.5000-0.0000 ( 2872 PWs) bands (ev): -71.9690 -71.9690 -40.7577 -40.7577 -36.2760 -36.2760 -36.2733 -36.2733 8.3727 8.3727 8.5945 8.5945 9.2207 9.2207 9.4840 9.4840 9.5283 9.5283 9.6652 9.6652 10.4169 10.4169 10.7957 10.7957 10.8771 10.8771 11.1059 11.1059 11.2301 11.2301 11.5054 11.5054 11.8475 11.8475 12.3312 12.3312 12.5165 12.5165 12.5291 12.5291 12.5723 12.5723 12.6349 12.6349 12.9549 12.9549 13.1651 13.1651 13.8019 13.8019 k = 0.3333 0.5000-0.0000 ( 2872 PWs) bands (ev): -71.9690 -71.9690 -40.7578 -40.7578 -36.2760 -36.2760 -36.2734 -36.2734 8.3787 8.3787 8.6481 8.6481 9.2471 9.2471 9.4948 9.4948 9.5430 9.5430 9.6823 9.6823 10.4030 10.4030 10.7674 10.7674 10.8985 10.8985 11.1132 11.1132 11.2312 11.2312 11.4917 11.4917 11.8082 11.8082 12.3392 12.3392 12.5081 12.5081 12.5205 12.5205 12.5590 12.5590 12.6205 12.6205 12.9366 12.9366 13.1348 13.1348 13.8553 13.8553 k = 0.3452 0.5000-0.0000 ( 2868 PWs) bands (ev): -71.9689 -71.9689 -40.7578 -40.7578 -36.2761 -36.2761 -36.2734 -36.2734 8.3838 8.3838 8.7006 8.7006 9.2731 9.2731 9.5051 9.5051 9.5589 9.5589 9.7011 9.7011 10.3896 10.3896 10.7384 10.7384 10.9194 10.9194 11.1203 11.1203 11.2323 11.2323 11.4794 11.4794 11.7688 11.7688 12.3476 12.3476 12.4997 12.4997 12.5115 12.5115 12.5459 12.5459 12.6056 12.6056 12.9195 12.9195 13.1051 13.1051 13.9102 13.9102 k = 0.3571 0.5000-0.0000 ( 2862 PWs) bands (ev): -71.9689 -71.9689 -40.7578 -40.7578 -36.2761 -36.2761 -36.2734 -36.2734 8.3882 8.3882 8.7514 8.7514 9.2986 9.2986 9.5147 9.5147 9.5762 9.5762 9.7213 9.7213 10.3763 10.3763 10.7090 10.7090 10.9393 10.9393 11.1271 11.1271 11.2332 11.2332 11.4686 11.4686 11.7295 11.7295 12.3564 12.3564 12.4914 12.4914 12.5021 12.5021 12.5333 12.5333 12.5903 12.5903 12.9037 12.9037 13.0760 13.0760 13.9667 13.9667 k = 0.3690 0.5000-0.0000 ( 2868 PWs) bands (ev): -71.9689 -71.9689 -40.7578 -40.7578 -36.2762 -36.2762 -36.2735 -36.2735 8.3917 8.3917 8.7998 8.7998 9.3234 9.3234 9.5232 9.5232 9.5956 9.5956 9.7422 9.7422 10.3628 10.3628 10.6795 10.6795 10.9582 10.9582 11.1336 11.1336 11.2341 11.2341 11.4591 11.4591 11.6907 11.6907 12.3652 12.3652 12.4832 12.4832 12.4924 12.4924 12.5214 12.5214 12.5750 12.5750 12.8893 12.8893 13.0477 13.0477 14.0246 14.0246 k = 0.3810 0.5000-0.0000 ( 2868 PWs) bands (ev): -71.9689 -71.9689 -40.7578 -40.7578 -36.2762 -36.2762 -36.2735 -36.2735 8.3947 8.3947 8.8452 8.8452 9.3473 9.3473 9.5308 9.5308 9.6174 9.6174 9.7637 9.7637 10.3491 10.3491 10.6502 10.6502 10.9757 10.9757 11.1396 11.1396 11.2349 11.2349 11.4511 11.4511 11.6527 11.6527 12.3741 12.3741 12.4753 12.4753 12.4826 12.4826 12.5103 12.5103 12.5599 12.5599 12.8761 12.8761 13.0204 13.0204 14.0840 14.0840 k = 0.3929 0.5000-0.0000 ( 2876 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2762 -36.2762 -36.2735 -36.2735 8.3970 8.3970 8.8871 8.8871 9.3700 9.3700 9.5373 9.5373 9.6418 9.6418 9.7850 9.7850 10.3348 10.3348 10.6215 10.6215 10.9917 10.9917 11.1452 11.1452 11.2355 11.2355 11.4446 11.4446 11.6161 11.6161 12.3828 12.3828 12.4678 12.4678 12.4730 12.4730 12.4999 12.4999 12.5453 12.5453 12.8644 12.8644 12.9943 12.9943 14.1450 14.1450 k = 0.4048 0.5000-0.0000 ( 2868 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2763 -36.2763 -36.2735 -36.2735 8.3989 8.3989 8.9251 8.9251 9.3913 9.3913 9.5431 9.5431 9.6689 9.6689 9.8059 9.8059 10.3193 10.3193 10.5941 10.5941 11.0062 11.0062 11.1503 11.1503 11.2361 11.2361 11.4395 11.4395 11.5813 11.5813 12.3910 12.3910 12.4607 12.4607 12.4642 12.4642 12.4902 12.4902 12.5316 12.5316 12.8539 12.8539 12.9696 12.9696 14.2077 14.2077 k = 0.4167 0.5000-0.0000 ( 2870 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2763 -36.2763 -36.2735 -36.2735 8.4004 8.4004 8.9587 8.9587 9.4108 9.4108 9.5481 9.5481 9.6984 9.6984 9.8258 9.8258 10.3022 10.3022 10.5684 10.5684 11.0189 11.0189 11.1549 11.1549 11.2366 11.2366 11.4356 11.4356 11.5488 11.5488 12.3981 12.3981 12.4544 12.4544 12.4566 12.4566 12.4807 12.4807 12.5195 12.5195 12.8447 12.8447 12.9466 12.9466 14.2720 14.2720 k = 0.4286 0.5000-0.0000 ( 2870 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2764 -36.2764 -36.2736 -36.2736 8.4015 8.4015 8.9877 8.9877 9.4283 9.4283 9.5524 9.5524 9.7297 9.7297 9.8445 9.8445 10.2832 10.2832 10.5452 10.5452 11.0300 11.0300 11.1589 11.1589 11.2370 11.2370 11.4329 11.4329 11.5192 11.5192 12.4036 12.4036 12.4491 12.4491 12.4506 12.4506 12.4714 12.4714 12.5094 12.5094 12.8369 12.8369 12.9255 12.9255 14.3382 14.3382 k = 0.4405 0.5000-0.0000 ( 2866 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2764 -36.2764 -36.2736 -36.2736 8.4024 8.4024 9.0120 9.0120 9.4434 9.4434 9.5562 9.5562 9.7620 9.7620 9.8618 9.8618 10.2621 10.2621 10.5252 10.5252 11.0392 11.0392 11.1623 11.1623 11.2373 11.2373 11.4312 11.4312 11.4929 11.4929 12.4069 12.4069 12.4442 12.4442 12.4473 12.4473 12.4622 12.4622 12.5018 12.5018 12.8303 12.8303 12.9068 12.9068 14.4063 14.4063 k = 0.4524 0.5000-0.0000 ( 2858 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2764 -36.2764 -36.2736 -36.2736 8.4031 8.4031 9.0317 9.0317 9.4560 9.4560 9.5593 9.5593 9.7938 9.7938 9.8775 9.8775 10.2393 10.2393 10.5088 10.5088 11.0468 11.0468 11.1651 11.1651 11.2375 11.2375 11.4301 11.4301 11.4706 11.4706 12.4082 12.4082 12.4399 12.4399 12.4461 12.4461 12.4537 12.4537 12.4965 12.4965 12.8249 12.8249 12.8907 12.8907 14.4764 14.4764 k = 0.4643 0.5000-0.0000 ( 2852 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2764 -36.2764 -36.2736 -36.2736 8.4035 8.4035 9.0468 9.0468 9.4659 9.4659 9.5619 9.5619 9.8225 9.8225 9.8920 9.8920 10.2161 10.2161 10.4963 10.4963 11.0526 11.0526 11.1674 11.1674 11.2377 11.2377 11.4295 11.4295 11.4528 11.4528 12.4084 12.4084 12.4363 12.4363 12.4435 12.4435 12.4487 12.4487 12.4935 12.4935 12.8208 12.8208 12.8776 12.8776 14.5486 14.5486 k = 0.4762 0.5000-0.0000 ( 2856 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2764 -36.2764 -36.2736 -36.2736 8.4038 8.4038 9.0574 9.0574 9.4729 9.4729 9.5637 9.5637 9.8450 9.8450 9.9053 9.9053 10.1950 10.1950 10.4874 10.4874 11.0567 11.0567 11.1689 11.1689 11.2378 11.2378 11.4288 11.4288 11.4402 11.4402 12.4082 12.4082 12.4335 12.4335 12.4381 12.4381 12.4484 12.4484 12.4921 12.4921 12.8178 12.8178 12.8679 12.8679 14.6229 14.6229 k = 0.4881 0.5000-0.0000 ( 2864 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2764 -36.2764 -36.2736 -36.2736 8.4039 8.4039 9.0637 9.0637 9.4771 9.4771 9.5648 9.5648 9.8588 9.8588 9.9160 9.9160 10.1794 10.1794 10.4821 10.4821 11.0592 11.0592 11.1699 11.1699 11.2378 11.2378 11.4271 11.4271 11.4338 11.4338 12.4082 12.4082 12.4313 12.4313 12.4345 12.4345 12.4486 12.4486 12.4916 12.4916 12.8161 12.8161 12.8619 12.8619 14.6991 14.6991 k = 0.5000 0.5000-0.0000 ( 2864 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2764 -36.2764 -36.2736 -36.2736 8.4039 8.4039 9.0658 9.0658 9.4785 9.4785 9.5652 9.5652 9.8633 9.8633 9.9204 9.9204 10.1736 10.1736 10.4804 10.4804 11.0600 11.0600 11.1702 11.1702 11.2378 11.2378 11.4258 11.4258 11.4325 11.4325 12.4083 12.4083 12.4303 12.4303 12.4335 12.4335 12.4487 12.4487 12.4915 12.4915 12.8155 12.8155 12.8599 12.8599 14.7644 14.7645 k = 0.5000 0.5000-0.0000 ( 2864 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2764 -36.2764 -36.2736 -36.2736 8.4039 8.4039 9.0658 9.0658 9.4785 9.4785 9.5652 9.5652 9.8633 9.8633 9.9204 9.9204 10.1736 10.1736 10.4804 10.4804 11.0600 11.0600 11.1702 11.1702 11.2378 11.2378 11.4258 11.4258 11.4325 11.4325 12.4083 12.4083 12.4303 12.4303 12.4335 12.4335 12.4487 12.4487 12.4915 12.4915 12.8155 12.8155 12.8599 12.8599 14.7644 14.7644 k = 0.4915 0.4915-0.0000 ( 2864 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2764 -36.2764 -36.2736 -36.2736 8.4039 8.4039 9.0637 9.0637 9.4771 9.4771 9.5648 9.5648 9.8588 9.8588 9.9160 9.9160 10.1795 10.1795 10.4822 10.4822 11.0592 11.0592 11.1699 11.1699 11.2378 11.2378 11.4274 11.4274 11.4335 11.4335 12.4082 12.4082 12.4314 12.4314 12.4345 12.4345 12.4486 12.4486 12.4916 12.4916 12.8161 12.8161 12.8620 12.8620 14.6760 14.6760 k = 0.4831 0.4831-0.0000 ( 2856 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2764 -36.2764 -36.2736 -36.2736 8.4037 8.4037 9.0573 9.0573 9.4729 9.4729 9.5636 9.5636 9.8453 9.8453 9.9046 9.9046 10.1953 10.1953 10.4874 10.4874 11.0568 11.0568 11.1687 11.1687 11.2380 11.2380 11.4322 11.4322 11.4369 11.4369 12.4076 12.4076 12.4349 12.4349 12.4371 12.4371 12.4481 12.4481 12.4928 12.4928 12.8178 12.8178 12.8680 12.8680 14.5696 14.5696 k = 0.4746 0.4746-0.0000 ( 2856 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2764 -36.2764 -36.2736 -36.2736 8.4031 8.4031 9.0465 9.0465 9.4659 9.4659 9.5616 9.5616 9.8240 9.8240 9.8896 9.8896 10.2172 10.2172 10.4961 10.4961 11.0530 11.0530 11.1664 11.1664 11.2387 11.2387 11.4390 11.4390 11.4433 11.4433 12.4057 12.4057 12.4390 12.4390 12.4411 12.4411 12.4488 12.4488 12.4966 12.4966 12.8206 12.8206 12.8777 12.8777 14.4668 14.4668 k = 0.4661 0.4661-0.0000 ( 2862 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2764 -36.2764 -36.2736 -36.2736 8.4017 8.4017 9.0312 9.0312 9.4562 9.4562 9.5585 9.5585 9.7978 9.7978 9.8724 9.8724 10.2413 10.2413 10.5081 10.5081 11.0483 11.0483 11.1625 11.1625 11.2407 11.2407 11.4463 11.4463 11.4539 11.4539 12.4007 12.4007 12.4384 12.4384 12.4486 12.4486 12.4550 12.4550 12.5039 12.5039 12.8243 12.8243 12.8906 12.8906 14.3681 14.3681 k = 0.4576 0.4576-0.0000 ( 2870 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2764 -36.2764 -36.2736 -36.2736 8.3991 8.3991 9.0116 9.0116 9.4442 9.4442 9.5542 9.5542 9.7700 9.7700 9.8530 9.8530 10.2653 10.2653 10.5234 10.5234 11.0428 11.0428 11.1566 11.1566 11.2444 11.2444 11.4547 11.4547 11.4678 11.4678 12.3909 12.3909 12.4379 12.4379 12.4579 12.4579 12.4656 12.4656 12.5147 12.5147 12.8289 12.8289 12.9062 12.9062 14.2735 14.2735 k = 0.4492 0.4492-0.0000 ( 2874 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2763 -36.2763 -36.2736 -36.2736 8.3945 8.3945 8.9877 8.9877 9.4302 9.4302 9.5486 9.5486 9.7429 9.7429 9.8312 9.8312 10.2876 10.2876 10.5419 10.5419 11.0372 11.0372 11.1487 11.1487 11.2501 11.2501 11.4642 11.4642 11.4842 11.4842 12.3763 12.3763 12.4398 12.4398 12.4688 12.4688 12.4791 12.4791 12.5286 12.5286 12.8344 12.8344 12.9239 12.9239 14.1828 14.1828 k = 0.4407 0.4407-0.0000 ( 2872 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2763 -36.2763 -36.2736 -36.2736 8.3870 8.3870 8.9603 8.9603 9.4150 9.4150 9.5414 9.5414 9.7181 9.7181 9.8070 9.8070 10.3073 10.3073 10.5637 10.5637 11.0318 11.0318 11.1390 11.1390 11.2580 11.2580 11.4749 11.4749 11.5028 11.5028 12.3582 12.3582 12.4440 12.4440 12.4812 12.4812 12.4949 12.4949 12.5452 12.5452 12.8407 12.8407 12.9433 12.9433 14.0960 14.0960 k = 0.4322 0.4322-0.0000 ( 2872 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2763 -36.2763 -36.2735 -36.2735 8.3751 8.3751 8.9306 8.9306 9.3989 9.3989 9.5324 9.5324 9.6963 9.6963 9.7808 9.7808 10.3237 10.3237 10.5886 10.5886 11.0269 11.0269 11.1278 11.1278 11.2679 11.2679 11.4866 11.4866 11.5232 11.5232 12.3377 12.3377 12.4500 12.4500 12.4951 12.4951 12.5127 12.5127 12.5641 12.5641 12.8480 12.8480 12.9639 12.9639 14.0128 14.0128 k = 0.4237 0.4237-0.0000 ( 2874 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2762 -36.2762 -36.2735 -36.2735 8.3575 8.3575 8.8999 8.8999 9.3826 9.3826 9.5213 9.5213 9.6777 9.6777 9.7528 9.7528 10.3365 10.3365 10.6165 10.6165 11.0228 11.0228 11.1155 11.1155 11.2798 11.2798 11.4990 11.4990 11.5451 11.5451 12.3155 12.3155 12.4576 12.4576 12.5104 12.5104 12.5322 12.5322 12.5851 12.5851 12.8560 12.8560 12.9856 12.9856 13.9331 13.9331 k = 0.4153 0.4153-0.0000 ( 2874 PWs) bands (ev): -71.9689 -71.9689 -40.7578 -40.7578 -36.2762 -36.2762 -36.2735 -36.2735 8.3325 8.3325 8.8705 8.8705 9.3665 9.3665 9.5080 9.5080 9.6621 9.6621 9.7235 9.7235 10.3457 10.3457 10.6475 10.6475 11.0198 11.0198 11.1025 11.1025 11.2936 11.2936 11.5120 11.5120 11.5683 11.5683 12.2922 12.2922 12.4665 12.4665 12.5269 12.5269 12.5533 12.5533 12.6080 12.6080 12.8649 12.8649 13.0079 13.0079 13.8568 13.8568 k = 0.4068 0.4068-0.0000 ( 2878 PWs) bands (ev): -71.9690 -71.9690 -40.7578 -40.7578 -36.2761 -36.2761 -36.2735 -36.2735 8.2987 8.2987 8.8440 8.8440 9.3508 9.3508 9.4924 9.4924 9.6489 9.6489 9.6931 9.6931 10.3512 10.3512 10.6813 10.6813 11.0181 11.0181 11.0893 11.0893 11.3091 11.3091 11.5255 11.5255 11.5926 11.5926 12.2680 12.2680 12.4768 12.4768 12.5446 12.5446 12.5758 12.5758 12.6324 12.6324 12.8746 12.8746 13.0307 13.0307 13.7837 13.7837 k = 0.3983 0.3983-0.0000 ( 2878 PWs) bands (ev): -71.9690 -71.9690 -40.7578 -40.7578 -36.2761 -36.2761 -36.2735 -36.2735 8.2554 8.2554 8.8218 8.8218 9.3356 9.3356 9.4747 9.4747 9.6377 9.6377 9.6623 9.6623 10.3531 10.3531 10.7181 10.7181 11.0179 11.0179 11.0761 11.0761 11.3264 11.3264 11.5393 11.5393 11.6177 11.6177 12.2432 12.2432 12.4882 12.4882 12.5631 12.5631 12.5996 12.5996 12.6583 12.6583 12.8851 12.8851 13.0538 13.0538 13.7138 13.7138 k = 0.3898 0.3898-0.0000 ( 2878 PWs) bands (ev): -71.9690 -71.9690 -40.7578 -40.7578 -36.2760 -36.2760 -36.2734 -36.2734 8.2026 8.2026 8.8044 8.8044 9.3208 9.3208 9.4548 9.4548 9.6273 9.6273 9.6320 9.6320 10.3517 10.3517 10.7578 10.7578 11.0192 11.0192 11.0633 11.0633 11.3455 11.3455 11.5532 11.5532 11.6435 11.6435 12.2180 12.2180 12.5008 12.5008 12.5824 12.5824 12.6246 12.6246 12.6853 12.6853 12.8963 12.8963 13.0771 13.0771 13.6470 13.6470 k = 0.3814 0.3814-0.0000 ( 2874 PWs) bands (ev): -71.9690 -71.9690 -40.7577 -40.7577 -36.2759 -36.2759 -36.2734 -36.2734 8.1409 8.1409 8.7915 8.7915 9.3061 9.3061 9.4331 9.4331 9.6008 9.6008 9.6192 9.6192 10.3473 10.3473 10.8001 10.8001 11.0223 11.0223 11.0513 11.0513 11.3662 11.3662 11.5673 11.5673 11.6699 11.6699 12.1926 12.1926 12.5145 12.5145 12.6023 12.6023 12.6506 12.6506 12.7134 12.7134 12.9083 12.9083 13.1006 13.1006 13.5831 13.5831 k = 0.3729 0.3729-0.0000 ( 2872 PWs) bands (ev): -71.9690 -71.9690 -40.7577 -40.7577 -36.2759 -36.2759 -36.2734 -36.2734 8.0718 8.0718 8.7823 8.7823 9.2913 9.2913 9.4097 9.4097 9.5714 9.5714 9.6106 9.6106 10.3402 10.3402 10.8451 10.8451 11.0273 11.0273 11.0403 11.0403 11.3886 11.3886 11.5814 11.5814 11.6968 11.6968 12.1669 12.1669 12.5292 12.5292 12.6226 12.6226 12.6776 12.6776 12.7423 12.7423 12.9209 12.9209 13.1240 13.1240 13.5221 13.5221 k = 0.3644 0.3644-0.0000 ( 2872 PWs) bands (ev): -71.9690 -71.9690 -40.7577 -40.7577 -36.2758 -36.2758 -36.2734 -36.2734 7.9965 7.9965 8.7757 8.7757 9.2756 9.2756 9.3854 9.3854 9.5430 9.5430 9.6021 9.6021 10.3306 10.3306 10.8924 10.8924 11.0305 11.0305 11.0345 11.0345 11.4126 11.4126 11.5954 11.5954 11.7240 11.7240 12.1413 12.1413 12.5450 12.5450 12.6431 12.6431 12.7054 12.7054 12.7718 12.7718 12.9341 12.9341 13.1474 13.1474 13.4641 13.4641 k = 0.3559 0.3559-0.0000 ( 2872 PWs) bands (ev): -71.9690 -71.9690 -40.7576 -40.7576 -36.2757 -36.2757 -36.2733 -36.2733 7.9163 7.9163 8.7707 8.7707 9.2581 9.2581 9.3611 9.3611 9.5160 9.5160 9.5933 9.5933 10.3189 10.3189 10.9412 10.9412 11.0225 11.0225 11.0446 11.0446 11.4384 11.4384 11.6093 11.6093 11.7514 11.7514 12.1157 12.1157 12.5617 12.5617 12.6637 12.6637 12.7339 12.7339 12.8018 12.8018 12.9480 12.9480 13.1707 13.1707 13.4090 13.4090 k = 0.3475 0.3475-0.0000 ( 2880 PWs) bands (ev): -71.9690 -71.9690 -40.7576 -40.7576 -36.2756 -36.2756 -36.2733 -36.2733 7.8325 7.8325 8.7663 8.7663 9.2377 9.2377 9.3382 9.3382 9.4902 9.4902 9.5840 9.5840 10.3053 10.3053 10.9880 10.9880 11.0183 11.0183 11.0591 11.0591 11.4658 11.4658 11.6229 11.6229 11.7790 11.7790 12.0903 12.0903 12.5794 12.5794 12.6840 12.6840 12.7630 12.7630 12.8321 12.8321 12.9624 12.9624 13.1938 13.1938 13.3569 13.3569 k = 0.3390 0.3390-0.0000 ( 2872 PWs) bands (ev): -71.9690 -71.9690 -40.7576 -40.7576 -36.2755 -36.2755 -36.2733 -36.2733 7.7459 7.7459 8.7619 8.7619 9.2133 9.2133 9.3179 9.3179 9.4657 9.4657 9.5742 9.5742 10.2901 10.2901 11.0054 11.0054 11.0392 11.0392 11.0845 11.0845 11.4949 11.4949 11.6364 11.6364 11.8067 11.8067 12.0651 12.0651 12.5979 12.5979 12.7038 12.7038 12.7925 12.7925 12.8627 12.8627 12.9774 12.9774 13.2167 13.2167 13.3079 13.3079 k = 0.3305 0.3305-0.0000 ( 2870 PWs) bands (ev): -71.9690 -71.9690 -40.7575 -40.7575 -36.2754 -36.2754 -36.2732 -36.2732 7.6574 7.6574 8.7568 8.7568 9.1847 9.1847 9.3009 9.3009 9.4423 9.4423 9.5635 9.5635 10.2736 10.2736 11.0038 11.0038 11.0668 11.0668 11.1292 11.1292 11.5256 11.5256 11.6495 11.6495 11.8345 11.8345 12.0402 12.0402 12.6172 12.6172 12.7228 12.7228 12.8224 12.8224 12.8934 12.8934 12.9929 12.9929 13.2393 13.2393 13.2622 13.2622 k = 0.3220 0.3220-0.0000 ( 2874 PWs) bands (ev): -71.9690 -71.9690 -40.7575 -40.7575 -36.2753 -36.2753 -36.2732 -36.2732 7.5677 7.5677 8.7506 8.7506 9.1524 9.1524 9.2866 9.2866 9.4197 9.4197 9.5520 9.5520 10.2559 10.2559 11.0026 11.0026 11.0890 11.0890 11.1857 11.1857 11.5581 11.5581 11.6624 11.6624 11.8622 11.8622 12.0158 12.0158 12.6372 12.6372 12.7405 12.7405 12.8524 12.8524 12.9241 12.9241 13.0088 13.0088 13.2201 13.2201 13.2617 13.2617 k = 0.3136 0.3136-0.0000 ( 2870 PWs) bands (ev): -71.9690 -71.9690 -40.7574 -40.7574 -36.2752 -36.2752 -36.2732 -36.2732 7.4772 7.4772 8.7431 8.7431 9.1174 9.1174 9.2744 9.2744 9.3980 9.3980 9.5395 9.5395 10.2371 10.2371 11.0030 11.0030 11.1115 11.1115 11.2471 11.2471 11.5923 11.5923 11.6750 11.6750 11.8899 11.8899 11.9921 11.9921 12.6579 12.6579 12.7566 12.7566 12.8825 12.8825 12.9547 12.9547 13.0251 13.0251 13.1822 13.1822 13.2838 13.2838 k = 0.3051 0.3051-0.0000 ( 2882 PWs) bands (ev): -71.9690 -71.9690 -40.7574 -40.7574 -36.2751 -36.2751 -36.2731 -36.2731 7.3864 7.3864 8.7340 8.7340 9.0804 9.0804 9.2634 9.2634 9.3767 9.3767 9.5261 9.5261 10.2174 10.2174 11.0052 11.0052 11.1361 11.1361 11.3115 11.3115 11.6282 11.6282 11.6873 11.6873 11.9169 11.9169 11.9696 11.9696 12.6792 12.6792 12.7703 12.7703 12.9125 12.9125 12.9851 12.9851 13.0418 13.0418 13.1490 13.1490 13.3055 13.3055 k = 0.2966 0.2966-0.0000 ( 2876 PWs) bands (ev): -71.9690 -71.9690 -40.7574 -40.7574 -36.2750 -36.2750 -36.2731 -36.2731 7.2957 7.2957 8.7234 8.7234 9.0423 9.0423 9.2531 9.2531 9.3561 9.3561 9.5117 9.5117 10.1970 10.1970 11.0092 11.0092 11.1630 11.1630 11.3784 11.3784 11.6659 11.6659 11.6994 11.6994 11.9361 11.9361 11.9559 11.9559 12.7008 12.7008 12.7811 12.7811 12.9424 12.9424 13.0149 13.0149 13.0587 13.0587 13.1216 13.1216 13.3268 13.3268 k = 0.2881 0.2881-0.0000 ( 2880 PWs) bands (ev): -71.9690 -71.9690 -40.7573 -40.7573 -36.2749 -36.2749 -36.2730 -36.2730 7.2056 7.2056 8.7111 8.7111 9.0035 9.0035 9.2430 9.2430 9.3359 9.3359 9.4964 9.4964 10.1758 10.1758 11.0151 11.0151 11.1925 11.1925 11.4470 11.4470 11.7053 11.7053 11.7114 11.7114 11.9217 11.9217 11.9769 11.9769 12.7223 12.7223 12.7885 12.7885 12.9718 12.9718 13.0435 13.0435 13.0756 13.0756 13.1016 13.1016 13.3478 13.3478 k = 0.2797 0.2797-0.0000 ( 2882 PWs) bands (ev): -71.9690 -71.9690 -40.7573 -40.7573 -36.2748 -36.2748 -36.2730 -36.2730 7.1161 7.1161 8.6973 8.6973 8.9644 8.9644 9.2328 9.2328 9.3162 9.3162 9.4802 9.4802 10.1541 10.1541 11.0226 11.0226 11.2242 11.2242 11.5172 11.5172 11.7231 11.7231 11.7466 11.7466 11.9027 11.9027 12.0044 12.0044 12.7425 12.7425 12.7928 12.7928 13.0009 13.0009 13.0654 13.0654 13.0897 13.0897 13.0980 13.0980 13.3684 13.3684 k = 0.2712 0.2712-0.0000 ( 2880 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2747 -36.2747 -36.2730 -36.2730 7.0277 7.0277 8.6822 8.6822 8.9252 8.9252 9.2222 9.2222 9.2968 9.2968 9.4632 9.4632 10.1319 10.1319 11.0318 11.0318 11.2578 11.2578 11.5881 11.5881 11.7347 11.7347 11.7895 11.7895 11.8854 11.8854 12.0327 12.0327 12.7577 12.7577 12.7977 12.7977 13.0292 13.0292 13.0682 13.0682 13.1103 13.1103 13.1139 13.1139 13.3886 13.3886 k = 0.2627 0.2627-0.0000 ( 2868 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2746 -36.2746 -36.2729 -36.2729 6.9405 6.9405 8.6657 8.6657 8.8863 8.8863 9.2112 9.2112 9.2778 9.2778 9.4455 9.4455 10.1092 10.1092 11.0425 11.0425 11.2926 11.2926 11.6579 11.6579 11.7468 11.7468 11.8341 11.8341 11.8720 11.8720 12.0617 12.0617 12.7608 12.7608 12.8107 12.8107 13.0563 13.0563 13.0688 13.0688 13.1317 13.1317 13.1379 13.1379 13.4083 13.4083 k = 0.2542 0.2542-0.0000 ( 2880 PWs) bands (ev): -71.9690 -71.9690 -40.7571 -40.7571 -36.2745 -36.2745 -36.2729 -36.2729 6.8547 6.8547 8.6480 8.6480 8.8475 8.8475 9.1995 9.1995 9.2591 9.2591 9.4270 9.4270 10.0862 10.0862 11.0546 11.0546 11.3277 11.3277 11.7165 11.7165 11.7672 11.7672 11.8627 11.8627 11.8827 11.8827 12.0915 12.0915 12.7535 12.7535 12.8310 12.8310 13.0707 13.0707 13.0852 13.0852 13.1504 13.1504 13.1658 13.1658 13.4276 13.4276 k = 0.2458 0.2458-0.0000 ( 2880 PWs) bands (ev): -71.9691 -71.9691 -40.7571 -40.7571 -36.2744 -36.2744 -36.2728 -36.2728 6.7705 6.7705 8.6294 8.6294 8.8093 8.8093 9.1872 9.1872 9.2406 9.2406 9.4081 9.4081 10.0630 10.0630 11.0678 11.0678 11.3620 11.3620 11.7362 11.7362 11.8200 11.8200 11.8660 11.8660 11.9305 11.9305 12.1227 12.1227 12.7415 12.7415 12.8541 12.8541 13.0786 13.0786 13.1107 13.1107 13.1694 13.1694 13.1937 13.1937 13.4464 13.4464 k = 0.2373 0.2373-0.0000 ( 2876 PWs) bands (ev): -71.9691 -71.9691 -40.7570 -40.7570 -36.2742 -36.2742 -36.2728 -36.2728 6.6880 6.6880 8.6100 8.6100 8.7717 8.7717 9.1744 9.1744 9.2225 9.2225 9.3887 9.3887 10.0397 10.0397 11.0822 11.0822 11.3943 11.3943 11.7342 11.7342 11.8727 11.8727 11.8939 11.8939 11.9810 11.9810 12.1561 12.1561 12.7275 12.7275 12.8784 12.8784 13.0889 13.0889 13.1355 13.1355 13.1889 13.1889 13.2211 13.2211 13.4648 13.4648 k = 0.2288 0.2288-0.0000 ( 2873 PWs) bands (ev): -71.9691 -71.9691 -40.7570 -40.7570 -36.2741 -36.2741 -36.2727 -36.2727 6.6075 6.6075 8.5898 8.5898 8.7347 8.7347 9.1610 9.1610 9.2045 9.2045 9.3691 9.3691 10.0163 10.0163 11.0976 11.0976 11.4235 11.4235 11.7248 11.7248 11.8990 11.8990 11.9583 11.9583 12.0335 12.0335 12.1933 12.1933 12.7130 12.7130 12.9033 12.9033 13.1009 13.1009 13.1593 13.1593 13.2087 13.2087 13.2480 13.2480 13.4827 13.4827 k = 0.2203 0.2203-0.0000 ( 2877 PWs) bands (ev): -71.9691 -71.9691 -40.7569 -40.7569 -36.2740 -36.2740 -36.2727 -36.2727 6.5290 6.5290 8.5691 8.5691 8.6985 8.6985 9.1472 9.1472 9.1868 9.1868 9.3492 9.3492 9.9929 9.9929 11.1136 11.1136 11.4484 11.4484 11.7119 11.7119 11.9317 11.9317 12.0208 12.0208 12.0876 12.0876 12.2362 12.2362 12.6991 12.6991 12.9284 12.9284 13.1140 13.1140 13.1818 13.1818 13.2288 13.2288 13.2744 13.2744 13.5001 13.5001 k = 0.2119 0.2119-0.0000 ( 2881 PWs) bands (ev): -71.9691 -71.9691 -40.7569 -40.7569 -36.2739 -36.2739 -36.2727 -36.2727 6.4527 6.4527 8.5480 8.5480 8.6632 8.6632 9.1331 9.1331 9.1693 9.1693 9.3292 9.3292 9.9697 9.9697 11.1303 11.1303 11.4684 11.4684 11.6975 11.6975 11.9720 11.9720 12.0768 12.0768 12.1427 12.1427 12.2874 12.2874 12.6863 12.6863 12.9536 12.9536 13.1278 13.1278 13.2032 13.2032 13.2492 13.2492 13.3001 13.3001 13.5169 13.5169 k = 0.2034 0.2034-0.0000 ( 2883 PWs) bands (ev): -71.9691 -71.9691 -40.7568 -40.7568 -36.2738 -36.2738 -36.2726 -36.2726 6.3787 6.3787 8.5267 8.5267 8.6288 8.6288 9.1188 9.1188 9.1520 9.1520 9.3092 9.3092 9.9468 9.9468 11.1475 11.1475 11.4836 11.4836 11.6827 11.6827 12.0189 12.0189 12.1248 12.1248 12.1988 12.1988 12.3476 12.3476 12.6752 12.6752 12.9788 12.9788 13.1420 13.1420 13.2234 13.2234 13.2696 13.2696 13.3251 13.3251 13.5333 13.5333 k = 0.1949 0.1949-0.0000 ( 2885 PWs) bands (ev): -71.9691 -71.9691 -40.7568 -40.7568 -36.2736 -36.2736 -36.2726 -36.2726 6.3070 6.3070 8.5052 8.5052 8.5954 8.5954 9.1044 9.1044 9.1348 9.1348 9.2894 9.2894 9.9241 9.9241 11.1651 11.1651 11.4940 11.4940 11.6679 11.6679 12.0710 12.0710 12.1650 12.1650 12.2562 12.2562 12.4157 12.4157 12.6663 12.6663 13.0039 13.0039 13.1563 13.1563 13.2426 13.2426 13.2900 13.2900 13.3495 13.3495 13.5492 13.5492 k = 0.1864 0.1864-0.0000 ( 2881 PWs) bands (ev): -71.9691 -71.9691 -40.7567 -40.7567 -36.2735 -36.2735 -36.2725 -36.2725 6.2378 6.2378 8.4837 8.4837 8.5631 8.5631 9.0901 9.0901 9.1180 9.1180 9.2699 9.2699 9.9019 9.9019 11.1827 11.1827 11.5003 11.5003 11.6534 11.6534 12.1269 12.1269 12.1991 12.1991 12.3154 12.3154 12.4895 12.4895 12.6604 12.6604 13.0287 13.0287 13.1704 13.1704 13.2609 13.2609 13.3101 13.3101 13.3732 13.3732 13.5645 13.5645 k = 0.1780 0.1780-0.0000 ( 2879 PWs) bands (ev): -71.9691 -71.9691 -40.7567 -40.7567 -36.2734 -36.2734 -36.2725 -36.2725 6.1711 6.1711 8.4623 8.4623 8.5319 8.5319 9.0758 9.0758 9.1013 9.1013 9.2507 9.2507 9.8802 9.8802 11.2005 11.2005 11.5030 11.5030 11.6395 11.6395 12.1844 12.1844 12.2291 12.2291 12.3762 12.3762 12.5666 12.5666 12.6582 12.6582 13.0532 13.0532 13.1844 13.1844 13.2783 13.2783 13.3298 13.3298 13.3961 13.3961 13.5792 13.5792 k = 0.1695 0.1695-0.0000 ( 2891 PWs) bands (ev): -71.9691 -71.9691 -40.7566 -40.7566 -36.2733 -36.2733 -36.2724 -36.2724 6.1070 6.1070 8.4410 8.4410 8.5017 8.5017 9.0617 9.0617 9.0849 9.0849 9.2319 9.2319 9.8590 9.8590 11.2181 11.2181 11.5029 11.5029 11.6262 11.6262 12.2393 12.2393 12.2585 12.2585 12.4384 12.4384 12.6442 12.6442 12.6624 12.6624 13.0773 13.0773 13.1981 13.1981 13.2950 13.2950 13.3489 13.3489 13.4183 13.4183 13.5934 13.5934 k = 0.1610 0.1610-0.0000 ( 2891 PWs) bands (ev): -71.9691 -71.9691 -40.7566 -40.7566 -36.2732 -36.2732 -36.2724 -36.2724 6.0457 6.0457 8.4202 8.4202 8.4728 8.4728 9.0479 9.0479 9.0689 9.0689 9.2136 9.2136 9.8385 9.8385 11.2355 11.2355 11.5003 11.5003 11.6135 11.6135 12.2748 12.2748 12.3023 12.3023 12.5017 12.5017 12.6690 12.6690 12.7267 12.7267 13.1009 13.1009 13.2114 13.2114 13.3111 13.3111 13.3675 13.3675 13.4397 13.4397 13.6071 13.6071 k = 0.1525 0.1525-0.0000 ( 2893 PWs) bands (ev): -71.9691 -71.9691 -40.7565 -40.7565 -36.2731 -36.2731 -36.2724 -36.2724 5.9872 5.9872 8.3997 8.3997 8.4452 8.4452 9.0344 9.0344 9.0533 9.0533 9.1960 9.1960 9.8187 9.8187 11.2525 11.2525 11.4960 11.4960 11.6016 11.6016 12.2983 12.2983 12.3507 12.3507 12.5656 12.5656 12.6875 12.6875 12.8064 12.8064 13.1238 13.1238 13.2243 13.2243 13.3265 13.3265 13.3855 13.3855 13.4604 13.4604 13.6201 13.6201 k = 0.1441 0.1441-0.0000 ( 2889 PWs) bands (ev): -71.9691 -71.9691 -40.7565 -40.7565 -36.2730 -36.2730 -36.2723 -36.2723 5.9315 5.9315 8.3798 8.3798 8.4188 8.4188 9.0213 9.0213 9.0383 9.0383 9.1790 9.1790 9.7996 9.7996 11.2691 11.2691 11.4903 11.4903 11.5903 11.5903 12.3192 12.3192 12.3915 12.3915 12.6296 12.6296 12.7173 12.7173 12.8855 12.8855 13.1462 13.1462 13.2367 13.2367 13.3413 13.3413 13.4027 13.4027 13.4803 13.4803 13.6326 13.6326 k = 0.1356 0.1356-0.0000 ( 2887 PWs) bands (ev): -71.9691 -71.9691 -40.7564 -40.7564 -36.2729 -36.2729 -36.2723 -36.2723 5.8786 5.8786 8.3604 8.3604 8.3938 8.3938 9.0087 9.0087 9.0237 9.0237 9.1628 9.1628 9.7814 9.7814 11.2851 11.2851 11.4837 11.4837 11.5797 11.5797 12.3386 12.3386 12.4224 12.4224 12.6934 12.6934 12.7594 12.7594 12.9632 12.9632 13.1678 13.1678 13.2487 13.2487 13.3556 13.3556 13.4193 13.4193 13.4995 13.4995 13.6445 13.6445 k = 0.1271 0.1271-0.0000 ( 2881 PWs) bands (ev): -71.9691 -71.9691 -40.7564 -40.7564 -36.2728 -36.2728 -36.2722 -36.2722 5.8288 5.8288 8.3418 8.3418 8.3701 8.3701 8.9965 8.9965 9.0097 9.0097 9.1474 9.1474 9.7641 9.7641 11.3004 11.3004 11.4765 11.4765 11.5697 11.5697 12.3566 12.3566 12.4440 12.4440 12.7568 12.7568 12.8121 12.8121 13.0387 13.0387 13.1888 13.1888 13.2603 13.2603 13.3694 13.3694 13.4351 13.4351 13.5180 13.5180 13.6558 13.6558 k = 0.1186 0.1186-0.0000 ( 2881 PWs) bands (ev): -71.9691 -71.9691 -40.7564 -40.7564 -36.2727 -36.2727 -36.2722 -36.2722 5.7819 5.7819 8.3240 8.3240 8.3478 8.3478 8.9848 8.9848 8.9963 8.9963 9.1329 9.1329 9.7477 9.7477 11.3149 11.3149 11.4689 11.4689 11.5604 11.5604 12.3734 12.3734 12.4583 12.4583 12.8204 12.8204 12.8718 12.8718 13.1109 13.1109 13.2094 13.2094 13.2717 13.2717 13.3829 13.3829 13.4502 13.4502 13.5358 13.5358 13.6665 13.6665 k = 0.1102 0.1102-0.0000 ( 2889 PWs) bands (ev): -71.9692 -71.9692 -40.7563 -40.7563 -36.2726 -36.2726 -36.2722 -36.2722 5.7381 5.7381 8.3070 8.3070 8.3269 8.3269 8.9737 8.9737 8.9836 8.9836 9.1191 9.1191 9.7323 9.7323 11.3284 11.3284 11.4612 11.4612 11.5518 11.5518 12.3890 12.3890 12.4677 12.4677 12.8842 12.8842 12.9349 12.9349 13.1772 13.1772 13.2310 13.2310 13.2830 13.2830 13.3964 13.3964 13.4646 13.4646 13.5532 13.5532 13.6766 13.6766 k = 0.1017 0.1017-0.0000 ( 2889 PWs) bands (ev): -71.9692 -71.9692 -40.7563 -40.7563 -36.2725 -36.2725 -36.2721 -36.2721 5.6973 5.6973 8.2910 8.2910 8.3074 8.3074 8.9633 8.9633 8.9717 8.9717 9.1064 9.1064 9.7179 9.7179 11.3409 11.3409 11.4535 11.4535 11.5439 11.5439 12.4034 12.4034 12.4738 12.4738 12.9475 12.9475 12.9991 12.9991 13.2267 13.2267 13.2619 13.2619 13.2958 13.2958 13.4107 13.4107 13.4784 13.4784 13.5701 13.5701 13.6860 13.6860 k = 0.0932 0.0932-0.0000 ( 2889 PWs) bands (ev): -71.9692 -71.9692 -40.7563 -40.7563 -36.2724 -36.2724 -36.2721 -36.2721 5.6597 5.6597 8.2760 8.2760 8.2894 8.2894 8.9535 8.9535 8.9605 8.9605 9.0946 9.0946 9.7045 9.7045 11.3524 11.3524 11.4462 11.4462 11.5368 11.5368 12.4167 12.4167 12.4780 12.4780 13.0095 13.0095 13.0626 13.0626 13.2513 13.2513 13.2948 13.2948 13.3233 13.3233 13.4273 13.4273 13.4916 13.4916 13.5867 13.5867 13.6949 13.6949 k = 0.0847 0.0847-0.0000 ( 2887 PWs) bands (ev): -71.9692 -71.9692 -40.7562 -40.7562 -36.2723 -36.2723 -36.2721 -36.2721 5.6252 5.6252 8.2621 8.2621 8.2729 8.2729 8.9444 8.9444 8.9502 8.9502 9.0838 9.0838 9.6922 9.6922 11.3626 11.3626 11.4392 11.4392 11.5306 11.5306 12.4289 12.4289 12.4808 12.4808 13.0689 13.0689 13.1243 13.1243 13.2679 13.2679 13.3091 13.3091 13.3648 13.3648 13.4502 13.4502 13.5045 13.5045 13.6033 13.6033 13.7032 13.7032 k = 0.0763 0.0763-0.0000 ( 2895 PWs) bands (ev): -71.9692 -71.9692 -40.7562 -40.7562 -36.2723 -36.2723 -36.2721 -36.2721 5.5940 5.5940 8.2493 8.2493 8.2578 8.2578 8.9361 8.9361 8.9407 8.9407 9.0740 9.0740 9.6810 9.6810 11.3716 11.3716 11.4326 11.4326 11.5252 11.5252 12.4400 12.4400 12.4827 12.4827 13.1246 13.1246 13.1830 13.1830 13.2816 13.2816 13.3207 13.3207 13.3951 13.3951 13.4827 13.4827 13.5175 13.5175 13.6201 13.6201 13.7109 13.7109 k = 0.0678 0.0678-0.0000 ( 2897 PWs) bands (ev): -71.9692 -71.9692 -40.7562 -40.7562 -36.2722 -36.2722 -36.2721 -36.2721 5.5659 5.5659 8.2377 8.2377 8.2443 8.2443 8.9285 8.9285 8.9321 8.9321 9.0652 9.0652 9.6709 9.6709 11.3794 11.3794 11.4265 11.4265 11.5207 11.5207 12.4499 12.4499 12.4842 12.4842 13.1751 13.1751 13.2372 13.2372 13.2936 13.2936 13.3327 13.3327 13.4135 13.4135 13.5167 13.5167 13.5352 13.5352 13.6376 13.6376 13.7181 13.7181 k = 0.0593 0.0593-0.0000 ( 2901 PWs) bands (ev): -71.9692 -71.9692 -40.7562 -40.7562 -36.2721 -36.2721 -36.2720 -36.2720 5.5411 5.5411 8.2274 8.2274 8.2323 8.2323 8.9217 8.9217 8.9245 8.9245 9.0574 9.0574 9.6620 9.6620 11.3858 11.3858 11.4211 11.4211 11.5172 11.5172 12.4587 12.4587 12.4852 12.4852 13.2190 13.2190 13.2832 13.2832 13.3067 13.3067 13.3460 13.3460 13.4259 13.4259 13.5345 13.5345 13.5687 13.5687 13.6562 13.6562 13.7249 13.7249 k = 0.0508 0.0508-0.0000 ( 2897 PWs) bands (ev): -71.9692 -71.9692 -40.7561 -40.7561 -36.2721 -36.2721 -36.2720 -36.2720 5.5195 5.5195 8.2184 8.2184 8.2219 8.2219 8.9158 8.9158 8.9179 8.9179 9.0507 9.0507 9.6542 9.6542 11.3910 11.3910 11.4163 11.4163 11.5145 11.5145 12.4664 12.4664 12.4860 12.4860 13.2547 13.2547 13.3046 13.3046 13.3363 13.3363 13.3613 13.3613 13.4353 13.4353 13.5462 13.5462 13.6038 13.6038 13.6760 13.6760 13.7313 13.7313 k = 0.0424 0.0424-0.0000 ( 2901 PWs) bands (ev): -71.9692 -71.9692 -40.7561 -40.7561 -36.2721 -36.2721 -36.2720 -36.2720 5.5013 5.5013 8.2107 8.2107 8.2131 8.2131 8.9107 8.9107 8.9122 8.9122 9.0449 9.0449 9.6476 9.6476 11.3950 11.3950 11.4121 11.4121 11.5126 11.5126 12.4729 12.4729 12.4865 12.4865 13.2815 13.2815 13.3124 13.3124 13.3703 13.3703 13.3786 13.3786 13.4433 13.4433 13.5566 13.5566 13.6341 13.6341 13.6968 13.6968 13.7375 13.7375 k = 0.0339 0.0339-0.0000 ( 2913 PWs) bands (ev): -71.9692 -71.9692 -40.7561 -40.7561 -36.2720 -36.2720 -36.2720 -36.2720 5.4863 5.4863 8.2043 8.2043 8.2058 8.2058 8.9065 8.9065 8.9074 8.9074 9.0402 9.0402 9.6422 9.6422 11.3980 11.3980 11.4087 11.4087 11.5113 11.5113 12.4782 12.4782 12.4870 12.4870 13.3001 13.3001 13.3175 13.3175 13.3954 13.3954 13.3981 13.3981 13.4506 13.4506 13.5660 13.5660 13.6585 13.6585 13.7172 13.7172 13.7437 13.7437 k = 0.0254 0.0254-0.0000 ( 2913 PWs) bands (ev): -71.9692 -71.9692 -40.7561 -40.7561 -36.2720 -36.2720 -36.2720 -36.2720 5.4747 5.4747 8.1993 8.1993 8.2002 8.2002 8.9033 8.9033 8.9037 8.9037 9.0366 9.0366 9.6380 9.6380 11.4001 11.4001 11.4060 11.4060 11.5106 11.5106 12.4823 12.4823 12.4873 12.4873 13.3124 13.3124 13.3212 13.3212 13.4119 13.4119 13.4164 13.4164 13.4578 13.4578 13.5742 13.5742 13.6771 13.6771 13.7353 13.7353 13.7499 13.7499 k = 0.0169 0.0169-0.0000 ( 2909 PWs) bands (ev): -71.9692 -71.9692 -40.7561 -40.7561 -36.2720 -36.2720 -36.2720 -36.2720 5.4663 5.4663 8.1958 8.1958 8.1962 8.1962 8.9010 8.9010 8.9011 8.9011 9.0340 9.0340 9.6350 9.6350 11.4015 11.4015 11.4041 11.4041 11.5101 11.5101 12.4853 12.4853 12.4875 12.4875 13.3201 13.3201 13.3238 13.3238 13.4244 13.4244 13.4275 13.4275 13.4644 13.4644 13.5806 13.5806 13.6899 13.6899 13.7494 13.7494 13.7556 13.7556 k = 0.0085 0.0085-0.0000 ( 2901 PWs) bands (ev): -71.9692 -71.9692 -40.7561 -40.7561 -36.2720 -36.2720 -36.2720 -36.2720 5.4613 5.4613 8.1937 8.1937 8.1938 8.1938 8.8996 8.8996 8.8996 8.8996 9.0325 9.0325 9.6331 9.6331 11.4023 11.4023 11.4029 11.4029 11.5099 11.5099 12.4871 12.4871 12.4876 12.4876 13.3244 13.3244 13.3253 13.3253 13.4322 13.4322 13.4332 13.4332 13.4691 13.4691 13.5847 13.5847 13.6972 13.6972 13.7583 13.7583 13.7598 13.7598 k = 0.0000 0.0000 0.0000 ( 2897 PWs) bands (ev): -71.9692 -71.9692 -40.7561 -40.7561 -36.2720 -36.2720 -36.2720 -36.2720 5.4597 5.4597 8.1930 8.1930 8.1930 8.1930 8.8991 8.8991 8.8991 8.8991 9.0320 9.0320 9.6325 9.6325 11.4025 11.4025 11.4025 11.4025 11.5099 11.5099 12.4877 12.4877 12.4877 12.4877 13.3258 13.3258 13.3258 13.3258 13.4349 13.4349 13.4349 13.4349 13.4708 13.4708 13.5861 13.5861 13.6995 13.6995 13.7614 13.7614 13.7614 13.7614 k = 0.0000 0.0000 0.0000 ( 2897 PWs) bands (ev): -71.9692 -71.9692 -40.7561 -40.7561 -36.2720 -36.2720 -36.2720 -36.2720 5.4597 5.4597 8.1930 8.1930 8.1930 8.1930 8.8991 8.8991 8.8991 8.8991 9.0320 9.0320 9.6325 9.6325 11.4025 11.4025 11.4025 11.4025 11.5099 11.5099 12.4877 12.4877 12.4877 12.4877 13.3258 13.3258 13.3258 13.3258 13.4349 13.4349 13.4349 13.4349 13.4708 13.4708 13.5861 13.5861 13.6995 13.6995 13.7614 13.7614 13.7614 13.7614 k = 0.0069 0.0069 0.0069 ( 2897 PWs) bands (ev): -71.9692 -71.9692 -40.7561 -40.7561 -36.2720 -36.2720 -36.2720 -36.2720 5.4614 5.4614 8.1937 8.1937 8.1938 8.1938 8.8996 8.8996 8.8996 8.8996 9.0325 9.0325 9.6331 9.6331 11.4023 11.4023 11.4029 11.4029 11.5099 11.5099 12.4873 12.4873 12.4874 12.4874 13.3244 13.3244 13.3253 13.3253 13.4322 13.4322 13.4331 13.4331 13.4691 13.4691 13.5847 13.5847 13.6972 13.6972 13.7583 13.7583 13.7598 13.7598 k = 0.0139 0.0139 0.0139 ( 2909 PWs) bands (ev): -71.9692 -71.9692 -40.7561 -40.7561 -36.2720 -36.2720 -36.2720 -36.2720 5.4664 5.4664 8.1958 8.1958 8.1962 8.1962 8.9010 8.9010 8.9012 8.9012 9.0340 9.0340 9.6350 9.6350 11.4015 11.4015 11.4041 11.4041 11.5101 11.5101 12.4862 12.4862 12.4866 12.4866 13.3201 13.3201 13.3237 13.3237 13.4242 13.4242 13.4279 13.4279 13.4641 13.4641 13.5805 13.5805 13.6899 13.6899 13.7492 13.7492 13.7554 13.7554 k = 0.0208 0.0208 0.0208 ( 2909 PWs) bands (ev): -71.9692 -71.9692 -40.7561 -40.7561 -36.2720 -36.2720 -36.2720 -36.2720 5.4748 5.4748 8.1995 8.1995 8.2002 8.2002 8.9033 8.9033 8.9038 8.9038 9.0366 9.0366 9.6380 9.6380 11.4000 11.4000 11.4061 11.4061 11.5106 11.5106 12.4843 12.4843 12.4853 12.4853 13.3124 13.3124 13.3210 13.3210 13.4104 13.4104 13.4191 13.4191 13.4565 13.4565 13.5740 13.5740 13.6773 13.6773 13.7346 13.7346 13.7494 13.7494 k = 0.0278 0.0278 0.0278 ( 2909 PWs) bands (ev): -71.9692 -71.9692 -40.7561 -40.7561 -36.2720 -36.2720 -36.2720 -36.2720 5.4865 5.4865 8.2045 8.2045 8.2058 8.2058 8.9066 8.9066 8.9074 8.9074 9.0403 9.0403 9.6423 9.6423 11.3979 11.3979 11.4088 11.4088 11.5114 11.5114 12.4817 12.4817 12.4834 12.4834 13.3002 13.3002 13.3172 13.3172 13.3912 13.3912 13.4064 13.4064 13.4464 13.4464 13.5653 13.5653 13.6598 13.6598 13.7151 13.7151 13.7426 13.7426 k = 0.0347 0.0347 0.0347 ( 2903 PWs) bands (ev): -71.9692 -71.9692 -40.7561 -40.7561 -36.2720 -36.2720 -36.2720 -36.2720 5.5016 5.5016 8.2110 8.2110 8.2131 8.2131 8.9109 8.9109 8.9121 8.9121 9.0450 9.0450 9.6477 9.6477 11.3947 11.3947 11.4123 11.4123 11.5127 11.5127 12.4783 12.4783 12.4810 12.4810 13.2815 13.2815 13.3120 13.3120 13.3682 13.3682 13.3896 13.3896 13.4336 13.4336 13.5543 13.5543 13.6385 13.6385 13.6920 13.6920 13.7357 13.7357 k = 0.0417 0.0417 0.0417 ( 2903 PWs) bands (ev): -71.9692 -71.9692 -40.7561 -40.7561 -36.2721 -36.2721 -36.2720 -36.2720 5.5200 5.5200 8.2189 8.2189 8.2219 8.2219 8.9161 8.9161 8.9177 8.9177 9.0508 9.0508 9.6544 9.6544 11.3905 11.3905 11.4165 11.4165 11.5147 11.5147 12.4742 12.4742 12.4780 12.4780 13.2540 13.2540 13.3051 13.3051 13.3433 13.3433 13.3684 13.3684 13.4177 13.4177 13.5409 13.5409 13.6158 13.6158 13.6663 13.6663 13.7289 13.7289 k = 0.0486 0.0486 0.0486 ( 2897 PWs) bands (ev): -71.9692 -71.9692 -40.7561 -40.7561 -36.2721 -36.2721 -36.2721 -36.2721 5.5417 5.5417 8.2281 8.2281 8.2324 8.2324 8.9222 8.9222 8.9242 8.9242 9.0577 9.0577 9.6623 9.6623 11.3850 11.3850 11.4214 11.4214 11.5176 11.5176 12.4693 12.4693 12.4745 12.4745 13.2168 13.2168 13.2957 13.2957 13.3175 13.3175 13.3429 13.3429 13.3981 13.3981 13.5247 13.5247 13.5940 13.5940 13.6395 13.6395 13.7221 13.7221 k = 0.0556 0.0556 0.0556 ( 2897 PWs) bands (ev): -71.9692 -71.9692 -40.7562 -40.7562 -36.2721 -36.2721 -36.2721 -36.2721 5.5667 5.5667 8.2387 8.2387 8.2444 8.2444 8.9292 8.9292 8.9316 8.9316 9.0655 9.0655 9.6713 9.6713 11.3782 11.3782 11.4271 11.4271 11.5214 11.5214 12.4635 12.4635 12.4704 12.4704 13.1705 13.1705 13.2814 13.2814 13.2891 13.2891 13.3151 13.3151 13.3751 13.3751 13.5061 13.5061 13.5751 13.5751 13.6128 13.6128 13.7155 13.7155 k = 0.0625 0.0625 0.0625 ( 2885 PWs) bands (ev): -71.9692 -71.9692 -40.7562 -40.7562 -36.2722 -36.2722 -36.2721 -36.2721 5.5949 5.5949 8.2507 8.2507 8.2579 8.2579 8.9372 8.9372 8.9398 8.9398 9.0746 9.0746 9.6815 9.6815 11.3699 11.3699 11.4333 11.4333 11.5262 11.5262 12.4570 12.4570 12.4658 12.4658 13.1171 13.1171 13.2554 13.2554 13.2556 13.2556 13.2916 13.2916 13.3499 13.3499 13.4863 13.4863 13.5590 13.5590 13.5875 13.5875 13.7090 13.7090 k = 0.0694 0.0694 0.0694 ( 2882 PWs) bands (ev): -71.9692 -71.9692 -40.7562 -40.7562 -36.2722 -36.2722 -36.2722 -36.2722 5.6264 5.6264 8.2639 8.2639 8.2730 8.2730 8.9459 8.9459 8.9488 8.9488 9.0846 9.0846 9.6929 9.6929 11.3602 11.3602 11.4402 11.4402 11.5319 11.5319 12.4496 12.4496 12.4605 12.4605 13.0580 13.0580 13.2147 13.2147 13.2156 13.2156 13.2741 13.2741 13.3242 13.3242 13.4663 13.4663 13.5452 13.5452 13.5641 13.5641 13.7028 13.7028 k = 0.0764 0.0764 0.0764 ( 2882 PWs) bands (ev): -71.9692 -71.9692 -40.7562 -40.7562 -36.2723 -36.2723 -36.2722 -36.2722 5.6610 5.6610 8.2783 8.2783 8.2895 8.2895 8.9555 8.9555 8.9584 8.9584 9.0957 9.0957 9.7054 9.7054 11.3490 11.3490 11.4477 11.4477 11.5386 11.5386 12.4413 12.4413 12.4545 12.4545 12.9947 12.9947 13.1665 13.1665 13.1676 13.1676 13.2577 13.2577 13.2987 13.2987 13.4461 13.4461 13.5329 13.5329 13.5432 13.5432 13.6967 13.6967 k = 0.0833 0.0833 0.0833 ( 2876 PWs) bands (ev): -71.9692 -71.9692 -40.7563 -40.7563 -36.2724 -36.2724 -36.2723 -36.2723 5.6989 5.6989 8.2940 8.2940 8.3076 8.3076 8.9660 8.9660 8.9687 8.9687 9.1080 9.1080 9.7190 9.7190 11.3364 11.3364 11.4557 11.4557 11.5462 11.5462 12.4319 12.4319 12.4477 12.4477 12.9280 12.9280 13.1122 13.1122 13.1143 13.1143 13.2402 13.2402 13.2734 13.2734 13.4255 13.4255 13.5219 13.5219 13.5247 13.5247 13.6910 13.6910 k = 0.0903 0.0903 0.0903 ( 2873 PWs) bands (ev): -71.9691 -71.9691 -40.7563 -40.7563 -36.2724 -36.2724 -36.2723 -36.2723 5.7399 5.7399 8.3107 8.3107 8.3271 8.3271 8.9772 8.9772 8.9794 8.9794 9.1214 9.1214 9.7336 9.7336 11.3224 11.3224 11.4641 11.4641 11.5547 11.5547 12.4214 12.4214 12.4400 12.4400 12.8587 12.8587 13.0534 13.0534 13.0571 13.0571 13.2211 13.2211 13.2478 13.2478 13.4039 13.4039 13.5086 13.5086 13.5120 13.5120 13.6855 13.6855 k = 0.0972 0.0972 0.0972 ( 2878 PWs) bands (ev): -71.9691 -71.9691 -40.7564 -40.7564 -36.2725 -36.2725 -36.2724 -36.2724 5.7839 5.7839 8.3285 8.3285 8.3479 8.3479 8.9892 8.9892 8.9905 8.9905 9.1358 9.1358 9.7494 9.7494 11.3071 11.3071 11.4730 11.4730 11.5638 11.5638 12.4096 12.4096 12.4312 12.4312 12.7877 12.7877 12.9918 12.9918 12.9971 12.9971 13.2003 13.2003 13.2217 13.2217 13.3810 13.3810 13.4946 13.4946 13.5030 13.5030 13.6804 13.6804 k = 0.1042 0.1042 0.1042 ( 2878 PWs) bands (ev): -71.9691 -71.9691 -40.7564 -40.7564 -36.2726 -36.2726 -36.2724 -36.2724 5.8310 5.8310 8.3473 8.3473 8.3702 8.3702 9.0019 9.0019 9.0019 9.0019 9.1515 9.1515 9.7661 9.7661 11.2905 11.2905 11.4822 11.4822 11.5736 11.5736 12.3962 12.3962 12.4212 12.4212 12.7154 12.7154 12.9287 12.9287 12.9354 12.9354 13.1779 13.1779 13.1948 13.1948 13.3566 13.3566 13.4824 13.4824 13.4950 13.4950 13.6756 13.6756 k = 0.1111 0.1111 0.1111 ( 2878 PWs) bands (ev): -71.9691 -71.9691 -40.7564 -40.7564 -36.2727 -36.2727 -36.2725 -36.2725 5.8811 5.8811 8.3670 8.3670 8.3938 8.3938 9.0135 9.0135 9.0154 9.0154 9.1682 9.1682 9.7839 9.7839 11.2726 11.2726 11.4918 11.4918 11.5840 11.5840 12.3808 12.3808 12.4095 12.4095 12.6425 12.6425 12.8651 12.8651 12.8730 12.8730 13.1541 13.1541 13.1672 13.1672 13.3306 13.3306 13.4717 13.4717 13.4878 13.4878 13.6711 13.6711 k = 0.1181 0.1181 0.1181 ( 2878 PWs) bands (ev): -71.9691 -71.9691 -40.7565 -40.7565 -36.2727 -36.2727 -36.2726 -36.2726 5.9341 5.9341 8.3875 8.3875 8.4188 8.4188 9.0251 9.0251 9.0297 9.0297 9.1861 9.1861 9.8026 9.8026 11.2536 11.2536 11.5016 11.5016 11.5948 11.5948 12.3630 12.3630 12.3956 12.3956 12.5695 12.5695 12.8024 12.8024 12.8110 12.8110 13.1291 13.1291 13.1390 13.1390 13.3029 13.3029 13.4623 13.4623 13.4812 13.4812 13.6668 13.6668 k = 0.1250 0.1250 0.1250 ( 2860 PWs) bands (ev): -71.9691 -71.9691 -40.7565 -40.7565 -36.2728 -36.2728 -36.2726 -36.2726 5.9899 5.9899 8.4087 8.4087 8.4450 8.4450 9.0368 9.0368 9.0447 9.0447 9.2053 9.2053 9.8221 9.8221 11.2334 11.2334 11.5115 11.5115 11.6060 11.6060 12.3420 12.3420 12.3790 12.3790 12.4970 12.4970 12.7415 12.7415 12.7505 12.7505 13.1033 13.1033 13.1102 13.1102 13.2738 13.2738 13.4541 13.4541 13.4753 13.4753 13.6628 13.6628 k = 0.1319 0.1319 0.1319 ( 2866 PWs) bands (ev): -71.9691 -71.9691 -40.7566 -40.7566 -36.2729 -36.2729 -36.2727 -36.2727 6.0485 6.0485 8.4305 8.4305 8.4723 8.4723 9.0483 9.0483 9.0604 9.0604 9.2255 9.2255 9.8425 9.8425 11.2121 11.2121 11.5216 11.5216 11.6174 11.6174 12.3168 12.3168 12.3584 12.3584 12.4257 12.4257 12.6838 12.6838 12.6930 12.6930 13.0770 13.0770 13.0812 13.0812 13.2432 13.2432 13.4466 13.4466 13.4698 13.4698 13.6591 13.6591 k = 0.1389 0.1389 0.1389 ( 2860 PWs) bands (ev): -71.9691 -71.9691 -40.7566 -40.7566 -36.2730 -36.2730 -36.2728 -36.2728 6.1098 6.1098 8.4527 8.4527 8.5007 8.5007 9.0596 9.0596 9.0768 9.0768 9.2470 9.2470 9.8636 9.8636 11.1897 11.1897 11.5316 11.5316 11.6290 11.6290 12.2859 12.2859 12.3330 12.3330 12.3567 12.3567 12.6305 12.6305 12.6397 12.6397 13.0505 13.0505 13.0521 13.0521 13.2113 13.2113 13.4400 13.4400 13.4647 13.4647 13.6555 13.6555 k = 0.1458 0.1458 0.1458 ( 2860 PWs) bands (ev): -71.9691 -71.9691 -40.7567 -40.7567 -36.2731 -36.2731 -36.2728 -36.2728 6.1737 6.1737 8.4752 8.4752 8.5302 8.5302 9.0706 9.0706 9.0939 9.0939 9.2695 9.2695 9.8854 9.8854 11.1663 11.1663 11.5416 11.5416 11.6406 11.6406 12.2466 12.2466 12.2924 12.2924 12.3018 12.3018 12.5824 12.5824 12.5920 12.5920 13.0233 13.0233 13.0243 13.0243 13.1782 13.1782 13.4339 13.4339 13.4600 13.4600 13.6520 13.6520 k = 0.1528 0.1528 0.1528 ( 2869 PWs) bands (ev): -71.9691 -71.9691 -40.7567 -40.7567 -36.2732 -36.2732 -36.2729 -36.2729 6.2401 6.2401 8.4977 8.4977 8.5605 8.5605 9.0811 9.0811 9.1117 9.1117 9.2931 9.2931 9.9077 9.9077 11.1419 11.1419 11.5514 11.5514 11.6522 11.6522 12.1957 12.1957 12.2363 12.2363 12.2641 12.2641 12.5401 12.5401 12.5505 12.5505 12.9950 12.9950 12.9987 12.9987 13.1440 13.1440 13.4282 13.4282 13.4555 13.4555 13.6487 13.6487 k = 0.1597 0.1597 0.1597 ( 2857 PWs) bands (ev): -71.9691 -71.9691 -40.7568 -40.7568 -36.2733 -36.2733 -36.2730 -36.2730 6.3089 6.3089 8.5203 8.5203 8.5918 8.5918 9.0912 9.0912 9.1303 9.1303 9.3179 9.3179 9.9305 9.9305 11.1167 11.1167 11.5609 11.5609 11.6637 11.6637 12.1365 12.1365 12.1859 12.1859 12.2207 12.2207 12.5032 12.5032 12.5150 12.5150 12.9675 12.9675 12.9741 12.9741 13.1088 13.1088 13.4230 13.4230 13.4512 13.4512 13.6455 13.6455 k = 0.1667 0.1667 0.1667 ( 2857 PWs) bands (ev): -71.9691 -71.9691 -40.7568 -40.7568 -36.2734 -36.2734 -36.2731 -36.2731 6.3800 6.3800 8.5425 8.5425 8.6237 8.6237 9.1007 9.1007 9.1498 9.1498 9.3437 9.3437 9.9534 9.9534 11.0907 11.0907 11.5701 11.5701 11.6749 11.6749 12.0759 12.0759 12.1358 12.1358 12.1727 12.1727 12.4710 12.4710 12.4842 12.4842 12.9413 12.9413 12.9511 12.9511 13.0728 13.0728 13.4182 13.4182 13.4472 13.4472 13.6424 13.6424 k = 0.1736 0.1736 0.1736 ( 2857 PWs) bands (ev): -71.9690 -71.9690 -40.7569 -40.7569 -36.2735 -36.2735 -36.2731 -36.2731 6.4531 6.4531 8.5642 8.5642 8.6560 8.6560 9.1097 9.1097 9.1700 9.1700 9.3705 9.3705 9.9764 9.9764 11.0642 11.0642 11.5789 11.5789 11.6857 11.6857 12.0167 12.0167 12.0846 12.0846 12.1218 12.1218 12.4422 12.4422 12.4567 12.4567 12.9167 12.9167 12.9300 12.9300 13.0361 13.0361 13.4136 13.4136 13.4433 13.4433 13.6394 13.6394 k = 0.1806 0.1806 0.1806 ( 2863 PWs) bands (ev): -71.9690 -71.9690 -40.7569 -40.7569 -36.2736 -36.2736 -36.2732 -36.2732 6.5283 6.5283 8.5851 8.5851 8.6887 8.6887 9.1182 9.1182 9.1911 9.1911 9.3983 9.3983 9.9993 9.9993 11.0373 11.0373 11.5870 11.5870 11.6961 11.6961 11.9601 11.9601 12.0329 12.0329 12.0696 12.0696 12.4156 12.4156 12.4309 12.4309 12.8940 12.8940 12.9112 12.9112 12.9988 12.9988 13.4093 13.4093 13.4395 13.4395 13.6365 13.6365 k = 0.1875 0.1875 0.1875 ( 2860 PWs) bands (ev): -71.9690 -71.9690 -40.7570 -40.7570 -36.2736 -36.2736 -36.2733 -36.2733 6.6052 6.6052 8.6051 8.6051 8.7213 8.7213 9.1263 9.1263 9.2132 9.2132 9.4271 9.4271 10.0216 10.0216 11.0105 11.0105 11.5944 11.5944 11.7061 11.7061 11.9067 11.9067 11.9815 11.9815 12.0175 12.0175 12.3903 12.3903 12.4058 12.4058 12.8737 12.8737 12.8951 12.8951 12.9609 12.9609 13.4051 13.4051 13.4358 13.4358 13.6337 13.6337 k = 0.1944 0.1944 0.1944 ( 2860 PWs) bands (ev): -71.9690 -71.9690 -40.7570 -40.7570 -36.2737 -36.2737 -36.2734 -36.2734 6.6837 6.6837 8.6238 8.6238 8.7536 8.7536 9.1342 9.1342 9.2363 9.2363 9.4567 9.4567 10.0431 10.0431 10.9841 10.9841 11.6009 11.6009 11.7154 11.7154 11.8568 11.8568 11.9310 11.9310 11.9667 11.9667 12.3654 12.3654 12.3806 12.3806 12.8561 12.8561 12.8819 12.8819 12.9226 12.9226 13.4012 13.4012 13.4322 13.4322 13.6309 13.6309 k = 0.2014 0.2014 0.2014 ( 2860 PWs) bands (ev): -71.9690 -71.9690 -40.7571 -40.7571 -36.2738 -36.2738 -36.2735 -36.2735 6.7637 6.7637 8.6410 8.6410 8.7851 8.7851 9.1420 9.1420 9.2605 9.2605 9.4873 9.4873 10.0633 10.0633 10.9587 10.9587 11.6060 11.6060 11.7242 11.7242 11.8107 11.8107 11.8823 11.8823 11.9181 11.9181 12.3403 12.3403 12.3546 12.3546 12.8413 12.8413 12.8719 12.8719 12.8840 12.8840 13.3974 13.3974 13.4287 13.4287 13.6281 13.6281 k = 0.2083 0.2083 0.2083 ( 2860 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2739 -36.2739 -36.2735 -36.2735 6.8447 6.8447 8.6565 8.6565 8.8151 8.8151 9.1504 9.1504 9.2858 9.2858 9.5188 9.5188 10.0818 10.0818 10.9351 10.9351 11.6093 11.6093 11.7322 11.7322 11.7685 11.7685 11.8359 11.8359 11.8729 11.8729 12.3147 12.3147 12.3276 12.3276 12.8296 12.8296 12.8453 12.8453 12.8650 12.8650 13.3937 13.3937 13.4253 13.4253 13.6254 13.6254 k = 0.2153 0.2153 0.2153 ( 2851 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2740 -36.2740 -36.2736 -36.2736 6.9267 6.9267 8.6700 8.6700 8.8429 8.8429 9.1599 9.1599 9.3122 9.3122 9.5511 9.5511 10.0979 10.0979 10.9139 10.9139 11.6100 11.6100 11.7294 11.7294 11.7405 11.7405 11.7921 11.7921 11.8323 11.8323 12.2883 12.2883 12.2995 12.2995 12.8056 12.8056 12.8220 12.8220 12.8613 12.8613 13.3902 13.3902 13.4220 13.4220 13.6228 13.6228 k = 0.2222 0.2222 0.2222 ( 2857 PWs) bands (ev): -71.9690 -71.9690 -40.7573 -40.7573 -36.2741 -36.2741 -36.2737 -36.2737 7.0093 7.0093 8.6813 8.6813 8.8675 8.8675 9.1712 9.1712 9.3397 9.3397 9.5841 9.5841 10.1112 10.1112 10.8961 10.8961 11.6070 11.6070 11.6956 11.6956 11.7462 11.7462 11.7520 11.7520 11.7978 11.7978 12.2610 12.2610 12.2703 12.2703 12.7668 12.7668 12.8168 12.8168 12.8607 12.8607 13.3868 13.3868 13.4187 13.4187 13.6201 13.6201 k = 0.2292 0.2292 0.2292 ( 2857 PWs) bands (ev): -71.9690 -71.9690 -40.7573 -40.7573 -36.2742 -36.2742 -36.2738 -36.2738 7.0922 7.0922 8.6902 8.6902 8.8879 8.8879 9.1853 9.1853 9.3684 9.3684 9.6177 9.6177 10.1210 10.1210 10.8827 10.8827 11.5991 11.5991 11.6653 11.6653 11.7137 11.7137 11.7534 11.7534 11.7709 11.7709 12.2327 12.2327 12.2401 12.2401 12.7278 12.7278 12.8149 12.8149 12.8630 12.8630 13.3834 13.3834 13.4154 13.4154 13.6176 13.6176 k = 0.2361 0.2361 0.2361 ( 2851 PWs) bands (ev): -71.9690 -71.9690 -40.7574 -40.7574 -36.2743 -36.2743 -36.2739 -36.2739 7.1750 7.1750 8.6967 8.6967 8.9032 8.9032 9.2029 9.2029 9.3982 9.3982 9.6520 9.6520 10.1271 10.1271 10.8744 10.8744 11.5857 11.5857 11.6389 11.6389 11.6798 11.6798 11.7526 11.7526 11.7592 11.7592 12.2037 12.2037 12.2091 12.2091 12.6889 12.6889 12.8162 12.8162 12.8680 12.8680 13.3802 13.3802 13.4123 13.4123 13.6150 13.6150 k = 0.2431 0.2431 0.2431 ( 2857 PWs) bands (ev): -71.9690 -71.9690 -40.7574 -40.7574 -36.2744 -36.2744 -36.2740 -36.2740 7.2574 7.2574 8.7006 8.7006 8.9127 8.9127 9.2246 9.2246 9.4289 9.4289 9.6864 9.6864 10.1294 10.1294 10.8720 10.8720 11.5677 11.5677 11.6162 11.6162 11.6497 11.6497 11.7421 11.7421 11.7645 11.7645 12.1741 12.1741 12.1776 12.1776 12.6501 12.6501 12.8204 12.8204 12.8756 12.8756 13.3771 13.3771 13.4092 13.4092 13.6125 13.6125 k = 0.2500 0.2500 0.2500 ( 2860 PWs) bands (ev): -71.9690 -71.9690 -40.7575 -40.7575 -36.2744 -36.2744 -36.2740 -36.2740 7.3389 7.3389 8.7019 8.7019 8.9165 8.9165 9.2503 9.2503 9.4605 9.4605 9.7207 9.7207 10.1283 10.1283 10.8759 10.8759 11.5470 11.5470 11.5970 11.5970 11.6237 11.6237 11.7377 11.7377 11.7696 11.7696 12.1439 12.1439 12.1457 12.1457 12.6116 12.6116 12.8273 12.8273 12.8854 12.8854 13.3741 13.3741 13.4061 13.4061 13.6101 13.6101 k = 0.2569 0.2569 0.2569 ( 2860 PWs) bands (ev): -71.9690 -71.9690 -40.7575 -40.7575 -36.2745 -36.2745 -36.2741 -36.2741 7.4191 7.4191 8.7005 8.7005 8.9148 8.9148 9.2797 9.2797 9.4929 9.4929 9.7541 9.7541 10.1250 10.1250 10.8862 10.8862 11.5257 11.5257 11.5808 11.5808 11.6022 11.6022 11.7376 11.7376 11.7745 11.7745 12.1135 12.1135 12.1137 12.1137 12.5735 12.5735 12.8366 12.8366 12.8973 12.8973 13.3712 13.3712 13.4031 13.4031 13.6076 13.6076 k = 0.2639 0.2639 0.2639 ( 2860 PWs) bands (ev): -71.9690 -71.9690 -40.7576 -40.7576 -36.2746 -36.2746 -36.2742 -36.2742 7.4975 7.4975 8.6966 8.6966 8.9083 8.9083 9.3121 9.3121 9.5259 9.5259 9.7852 9.7852 10.1213 10.1213 10.9026 10.9026 11.5053 11.5053 11.5666 11.5666 11.5860 11.5860 11.7402 11.7402 11.7793 11.7793 12.0819 12.0819 12.0831 12.0831 12.5357 12.5357 12.8482 12.8482 12.9110 12.9110 13.3684 13.3684 13.4002 13.4002 13.6053 13.6053 k = 0.2708 0.2708 0.2708 ( 2854 PWs) bands (ev): -71.9689 -71.9689 -40.7576 -40.7576 -36.2747 -36.2747 -36.2743 -36.2743 7.5737 7.5737 8.6902 8.6902 8.8976 8.8976 9.3468 9.3468 9.5592 9.5592 9.8124 9.8124 10.1202 10.1202 10.9249 10.9249 11.4868 11.4868 11.5539 11.5539 11.5758 11.5758 11.7449 11.7449 11.7842 11.7842 12.0506 12.0506 12.0528 12.0528 12.4985 12.4985 12.8617 12.8617 12.9263 12.9263 13.3656 13.3656 13.3974 13.3974 13.6029 13.6029 k = 0.2778 0.2778 0.2778 ( 2866 PWs) bands (ev): -71.9690 -71.9690 -40.7577 -40.7577 -36.2748 -36.2748 -36.2744 -36.2744 7.6472 7.6472 8.6813 8.6813 8.8833 8.8833 9.3830 9.3830 9.5927 9.5927 9.8328 9.8328 10.1252 10.1252 10.9523 10.9523 11.4706 11.4706 11.5429 11.5429 11.5709 11.5709 11.7510 11.7510 11.7895 11.7895 12.0199 12.0199 12.0229 12.0229 12.4617 12.4617 12.8770 12.8770 12.9431 12.9431 13.3630 13.3630 13.3946 13.3946 13.6006 13.6006 k = 0.2847 0.2847 0.2847 ( 2866 PWs) bands (ev): -71.9689 -71.9689 -40.7577 -40.7577 -36.2748 -36.2748 -36.2744 -36.2744 7.7174 7.7174 8.6702 8.6702 8.8660 8.8660 9.4203 9.4203 9.6262 9.6262 9.8440 9.8440 10.1399 10.1399 10.9843 10.9843 11.4570 11.4570 11.5342 11.5342 11.5707 11.5707 11.7582 11.7582 11.7952 11.7952 11.9904 11.9904 11.9937 11.9937 12.4256 12.4256 12.8939 12.8939 12.9611 12.9611 13.3605 13.3605 13.3918 13.3918 13.5983 13.5983 k = 0.2917 0.2917 0.2917 ( 2872 PWs) bands (ev): -71.9690 -71.9690 -40.7578 -40.7578 -36.2749 -36.2749 -36.2745 -36.2745 7.7838 7.7838 8.6570 8.6570 8.8463 8.8463 9.4579 9.4579 9.6595 9.6595 9.8454 9.8454 10.1659 10.1659 11.0204 11.0204 11.4460 11.4460 11.5280 11.5280 11.5746 11.5746 11.7662 11.7662 11.8016 11.8016 11.9624 11.9624 11.9654 11.9654 12.3901 12.3901 12.9120 12.9120 12.9802 12.9802 13.3580 13.3580 13.3892 13.3892 13.5961 13.5961 k = 0.2986 0.2986 0.2986 ( 2860 PWs) bands (ev): -71.9689 -71.9689 -40.7578 -40.7578 -36.2750 -36.2750 -36.2746 -36.2746 7.8462 7.8462 8.6419 8.6419 8.8246 8.8246 9.4954 9.4954 9.6925 9.6925 9.8385 9.8385 10.2028 10.2028 11.0601 11.0601 11.4376 11.4376 11.5242 11.5242 11.5826 11.5826 11.7744 11.7744 11.8089 11.8089 11.9369 11.9369 11.9382 11.9382 12.3553 12.3553 12.9313 12.9313 13.0001 13.0001 13.3558 13.3558 13.3867 13.3867 13.5939 13.5939 k = 0.3056 0.3056 0.3056 ( 2878 PWs) bands (ev): -71.9689 -71.9689 -40.7578 -40.7578 -36.2750 -36.2750 -36.2747 -36.2747 7.9039 7.9039 8.6250 8.6250 8.8011 8.8011 9.5316 9.5316 9.7247 9.7247 9.8261 9.8261 10.2484 10.2484 11.1029 11.1029 11.4316 11.4316 11.5225 11.5225 11.5947 11.5947 11.7820 11.7820 11.8170 11.8170 11.9127 11.9127 11.9149 11.9149 12.3214 12.3214 12.9514 12.9514 13.0207 13.0207 13.3536 13.3536 13.3842 13.3842 13.5918 13.5918 k = 0.3125 0.3125 0.3125 ( 2884 PWs) bands (ev): -71.9690 -71.9690 -40.7579 -40.7579 -36.2751 -36.2751 -36.2747 -36.2747 7.9569 7.9569 8.6066 8.6066 8.7762 8.7762 9.5659 9.5659 9.7561 9.7561 9.8115 9.8115 10.3011 10.3011 11.1486 11.1486 11.4276 11.4276 11.5223 11.5223 11.6108 11.6108 11.7870 11.7870 11.8258 11.8258 11.8898 11.8898 11.8990 11.8990 12.2883 12.2883 12.9723 12.9723 13.0419 13.0419 13.3515 13.3515 13.3818 13.3818 13.5897 13.5897 k = 0.3194 0.3194 0.3194 ( 2884 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2751 -36.2751 -36.2748 -36.2748 8.0048 8.0048 8.5869 8.5869 8.7503 8.7503 9.5964 9.5964 9.7866 9.7866 9.7979 9.7979 10.3591 10.3591 11.1968 11.1968 11.4254 11.4254 11.5233 11.5233 11.6312 11.6312 11.7866 11.7866 11.8327 11.8327 11.8726 11.8726 11.8921 11.8921 12.2561 12.2561 12.9937 12.9937 13.0636 13.0636 13.3496 13.3496 13.3795 13.3795 13.5877 13.5877 k = 0.3264 0.3264 0.3264 ( 2884 PWs) bands (ev): -71.9689 -71.9689 -40.7580 -40.7580 -36.2752 -36.2752 -36.2749 -36.2749 8.0476 8.0476 8.5660 8.5660 8.7235 8.7235 9.6203 9.6203 9.7888 9.7888 9.8159 9.8159 10.4213 10.4213 11.2474 11.2474 11.4244 11.4244 11.5248 11.5248 11.6560 11.6560 11.7797 11.7797 11.8291 11.8291 11.8702 11.8702 11.8962 11.8962 12.2249 12.2249 13.0155 13.0155 13.0854 13.0854 13.3479 13.3479 13.3774 13.3774 13.5857 13.5857 k = 0.3333 0.3333 0.3333 ( 2887 PWs) bands (ev): -71.9689 -71.9689 -40.7580 -40.7580 -36.2752 -36.2752 -36.2749 -36.2749 8.0851 8.0851 8.5443 8.5443 8.6963 8.6963 9.6339 9.6339 9.7886 9.7886 9.8439 9.8439 10.4865 10.4865 11.3004 11.3004 11.4242 11.4242 11.5262 11.5262 11.6853 11.6853 11.7683 11.7683 11.8159 11.8159 11.8826 11.8826 11.9095 11.9095 12.1949 12.1949 13.0376 13.0376 13.1074 13.1074 13.3463 13.3463 13.3753 13.3753 13.5838 13.5838 k = 0.3403 0.3403 0.3403 ( 2884 PWs) bands (ev): -71.9689 -71.9689 -40.7580 -40.7580 -36.2753 -36.2753 -36.2750 -36.2750 8.1176 8.1176 8.5219 8.5219 8.6689 8.6689 9.6356 9.6356 9.7993 9.7993 9.8705 9.8705 10.5536 10.5536 11.3558 11.3558 11.4242 11.4242 11.5267 11.5267 11.7191 11.7191 11.7553 11.7553 11.8021 11.8021 11.9014 11.9014 11.9297 11.9297 12.1662 12.1662 13.0597 13.0597 13.1293 13.1293 13.3449 13.3449 13.3734 13.3734 13.5819 13.5819 k = 0.3472 0.3472 0.3472 ( 2884 PWs) bands (ev): -71.9689 -71.9689 -40.7581 -40.7581 -36.2753 -36.2753 -36.2751 -36.2751 8.1451 8.1451 8.4991 8.4991 8.6414 8.6414 9.6279 9.6279 9.8184 9.8184 9.8956 9.8956 10.6216 10.6216 11.4136 11.4136 11.4238 11.4238 11.5260 11.5260 11.7430 11.7430 11.7568 11.7568 11.7912 11.7912 11.9243 11.9243 11.9551 11.9551 12.1390 12.1390 13.0818 13.0818 13.1510 13.1510 13.3438 13.3438 13.3716 13.3716 13.5801 13.5801 k = 0.3542 0.3542 0.3542 ( 2884 PWs) bands (ev): -71.9689 -71.9689 -40.7581 -40.7581 -36.2754 -36.2754 -36.2751 -36.2751 8.1679 8.1679 8.4759 8.4759 8.6140 8.6140 9.6149 9.6149 9.8421 9.8421 9.9191 9.9191 10.6894 10.6894 11.4226 11.4226 11.4742 11.4742 11.5236 11.5236 11.7324 11.7324 11.7767 11.7767 11.8057 11.8057 11.9504 11.9504 11.9850 11.9850 12.1140 12.1140 13.1037 13.1037 13.1723 13.1723 13.3429 13.3429 13.3699 13.3699 13.5784 13.5784 k = 0.3611 0.3611 0.3611 ( 2896 PWs) bands (ev): -71.9689 -71.9689 -40.7581 -40.7581 -36.2754 -36.2754 -36.2752 -36.2752 8.1863 8.1863 8.4526 8.4526 8.5871 8.5871 9.5995 9.5995 9.8671 9.8671 9.9408 9.9408 10.7557 10.7557 11.4201 11.4201 11.5184 11.5184 11.5387 11.5387 11.7240 11.7240 11.7717 11.7717 11.8529 11.8529 11.9781 11.9781 12.0192 12.0192 12.0929 12.0929 13.1252 13.1252 13.1931 13.1931 13.3424 13.3424 13.3684 13.3684 13.5767 13.5767 k = 0.3681 0.3681 0.3681 ( 2896 PWs) bands (ev): -71.9689 -71.9689 -40.7582 -40.7582 -36.2754 -36.2754 -36.2752 -36.2752 8.2006 8.2006 8.4294 8.4294 8.5607 8.5607 9.5834 9.5834 9.8924 9.8924 9.9611 9.9611 10.8194 10.8194 11.4161 11.4161 11.5126 11.5126 11.6050 11.6050 11.7183 11.7183 11.7680 11.7680 11.9062 11.9062 12.0018 12.0018 12.0573 12.0573 12.0817 12.0817 13.1463 13.1463 13.2131 13.2131 13.3424 13.3424 13.3671 13.3671 13.5751 13.5751 k = 0.3750 0.3750 0.3750 ( 2896 PWs) bands (ev): -71.9689 -71.9689 -40.7582 -40.7582 -36.2755 -36.2755 -36.2753 -36.2753 8.2112 8.2112 8.4065 8.4065 8.5350 8.5350 9.5674 9.5674 9.9168 9.9168 9.9797 9.9797 10.8797 10.8797 11.4105 11.4105 11.5048 11.5048 11.6748 11.6748 11.7151 11.7151 11.7669 11.7669 11.9630 11.9630 12.0088 12.0088 12.0945 12.0945 12.0994 12.0994 13.1667 13.1667 13.2320 13.2320 13.3431 13.3431 13.3660 13.3660 13.5735 13.5735 k = 0.3819 0.3819 0.3819 ( 2890 PWs) bands (ev): -71.9689 -71.9689 -40.7582 -40.7582 -36.2755 -36.2755 -36.2753 -36.2753 8.2185 8.2185 8.3840 8.3840 8.5102 8.5102 9.5519 9.5519 9.9400 9.9400 9.9968 9.9968 10.9357 10.9357 11.4035 11.4035 11.4957 11.4957 11.7142 11.7142 11.7439 11.7439 11.7713 11.7713 11.9901 11.9901 12.0328 12.0328 12.1306 12.1306 12.1454 12.1454 13.1863 13.1863 13.2494 13.2494 13.3447 13.3447 13.3652 13.3652 13.5721 13.5721 k = 0.3889 0.3889 0.3889 ( 2902 PWs) bands (ev): -71.9689 -71.9689 -40.7582 -40.7582 -36.2755 -36.2755 -36.2754 -36.2754 8.2228 8.2228 8.3620 8.3620 8.4865 8.4865 9.5371 9.5371 9.9616 9.9616 10.0122 10.0122 10.9870 10.9870 11.3953 11.3953 11.4859 11.4859 11.7152 11.7152 11.7648 11.7648 11.8279 11.8279 11.9758 11.9758 12.0967 12.0967 12.1788 12.1788 12.1951 12.1951 13.2051 13.2051 13.2650 13.2650 13.3476 13.3476 13.3647 13.3647 13.5706 13.5707 k = 0.3958 0.3958 0.3958 ( 2896 PWs) bands (ev): -71.9689 -71.9689 -40.7582 -40.7582 -36.2756 -36.2756 -36.2754 -36.2754 8.2247 8.2247 8.3408 8.3408 8.4640 8.4640 9.5232 9.5232 9.9816 9.9816 10.0262 10.0262 11.0335 11.0335 11.3862 11.3862 11.4758 11.4758 11.7179 11.7179 11.7684 11.7684 11.9035 11.9035 11.9607 11.9607 12.1642 12.1642 12.2361 12.2361 12.2484 12.2484 13.2228 13.2228 13.2780 13.2780 13.3523 13.3523 13.3645 13.3645 13.5693 13.5693 k = 0.4028 0.4028 0.4028 ( 2899 PWs) bands (ev): -71.9689 -71.9689 -40.7583 -40.7583 -36.2756 -36.2756 -36.2754 -36.2754 8.2245 8.2245 8.3204 8.3204 8.4427 8.4427 9.5103 9.5103 9.9999 9.9999 10.0388 10.0388 11.0750 11.0750 11.3766 11.3766 11.4655 11.4655 11.7217 11.7217 11.7717 11.7717 11.9357 11.9357 11.9917 11.9917 12.2315 12.2315 12.3026 12.3026 12.3051 12.3051 13.2392 13.2392 13.2882 13.2882 13.3592 13.3592 13.3647 13.3647 13.5680 13.5680 k = 0.4097 0.4097 0.4097 ( 2899 PWs) bands (ev): -71.9689 -71.9689 -40.7583 -40.7583 -36.2756 -36.2756 -36.2755 -36.2755 8.2225 8.2225 8.3009 8.3009 8.4228 8.4228 9.4983 9.4983 10.0165 10.0165 10.0499 10.0499 11.1120 11.1120 11.3666 11.3666 11.4556 11.4556 11.7264 11.7264 11.7752 11.7752 11.9220 11.9220 12.0711 12.0711 12.2975 12.2975 12.3651 12.3651 12.3782 12.3782 13.2543 13.2543 13.2954 13.2954 13.3654 13.3654 13.3681 13.3681 13.5668 13.5668 k = 0.4167 0.4167 0.4167 ( 2893 PWs) bands (ev): -71.9689 -71.9689 -40.7583 -40.7583 -36.2756 -36.2756 -36.2755 -36.2755 8.2191 8.2191 8.2824 8.2824 8.4043 8.4043 9.4873 9.4873 10.0316 10.0316 10.0600 10.0600 11.1446 11.1446 11.3567 11.3567 11.4462 11.4462 11.7316 11.7316 11.7786 11.7786 11.9076 11.9076 12.1531 12.1531 12.3631 12.3631 12.4282 12.4282 12.4604 12.4604 13.2677 13.2677 13.3003 13.3003 13.3667 13.3667 13.3784 13.3784 13.5657 13.5657 k = 0.4236 0.4236 0.4236 ( 2893 PWs) bands (ev): -71.9689 -71.9689 -40.7583 -40.7583 -36.2756 -36.2756 -36.2755 -36.2755 8.2146 8.2146 8.2651 8.2651 8.3874 8.3874 9.4772 9.4772 10.0450 10.0450 10.0687 10.0687 11.1730 11.1730 11.3471 11.3471 11.4375 11.4375 11.7371 11.7371 11.7817 11.7817 11.8945 11.8945 12.2358 12.2358 12.4294 12.4294 12.4942 12.4942 12.5466 12.5466 13.2794 13.2794 13.3034 13.3034 13.3687 13.3687 13.3894 13.3894 13.5646 13.5646 k = 0.4306 0.4306 0.4306 ( 2887 PWs) bands (ev): -71.9689 -71.9689 -40.7583 -40.7583 -36.2756 -36.2756 -36.2756 -36.2756 8.2093 8.2093 8.2490 8.2490 8.3719 8.3719 9.4681 9.4681 10.0570 10.0570 10.0765 10.0765 11.1977 11.1977 11.3378 11.3378 11.4297 11.4297 11.7426 11.7426 11.7842 11.7842 11.8830 11.8830 12.3188 12.3188 12.4971 12.4971 12.5627 12.5627 12.6346 12.6346 13.2892 13.2892 13.3054 13.3054 13.3713 13.3713 13.4004 13.4004 13.5636 13.5636 k = 0.4375 0.4375 0.4375 ( 2887 PWs) bands (ev): -71.9689 -71.9689 -40.7583 -40.7583 -36.2757 -36.2757 -36.2756 -36.2756 8.2036 8.2036 8.2343 8.2343 8.3580 8.3580 9.4600 9.4600 10.0675 10.0675 10.0831 10.0831 11.2188 11.2188 11.3291 11.3291 11.4230 11.4230 11.7480 11.7480 11.7858 11.7858 11.8734 11.8734 12.4019 12.4019 12.5662 12.5662 12.6337 12.6337 12.7222 12.7222 13.2971 13.2971 13.3067 13.3067 13.3744 13.3744 13.4108 13.4108 13.5626 13.5626 k = 0.4444 0.4444 0.4444 ( 2893 PWs) bands (ev): -71.9689 -71.9689 -40.7583 -40.7583 -36.2757 -36.2757 -36.2756 -36.2756 8.1977 8.1977 8.2208 8.2208 8.3457 8.3457 9.4527 9.4527 10.0765 10.0765 10.0888 10.0888 11.2365 11.2365 11.3210 11.3210 11.4174 11.4174 11.7532 11.7532 11.7864 11.7864 11.8659 11.8659 12.4850 12.4850 12.6368 12.6368 12.7068 12.7068 12.8077 12.8077 13.3033 13.3033 13.3074 13.3074 13.3777 13.3777 13.4203 13.4203 13.5616 13.5616 k = 0.4514 0.4514 0.4514 ( 2887 PWs) bands (ev): -71.9689 -71.9689 -40.7584 -40.7584 -36.2757 -36.2757 -36.2756 -36.2756 8.1919 8.1919 8.2089 8.2089 8.3349 8.3349 9.4463 9.4463 10.0844 10.0844 10.0937 10.0937 11.2511 11.2511 11.3138 11.3138 11.4129 11.4129 11.7579 11.7579 11.7859 11.7859 11.8604 11.8604 12.5680 12.5680 12.7086 12.7086 12.7818 12.7818 12.8894 12.8894 13.3078 13.3078 13.3080 13.3080 13.3807 13.3807 13.4286 13.4286 13.5606 13.5606 k = 0.4583 0.4583 0.4583 ( 2878 PWs) bands (ev): -71.9689 -71.9689 -40.7584 -40.7584 -36.2757 -36.2757 -36.2756 -36.2756 8.1864 8.1864 8.1985 8.1985 8.3255 8.3255 9.4409 9.4409 10.0911 10.0911 10.0979 10.0979 11.2628 11.2628 11.3074 11.3074 11.4097 11.4097 11.7622 11.7622 11.7845 11.7845 11.8567 11.8567 12.6507 12.6507 12.7810 12.7810 12.8584 12.8584 12.9658 12.9658 13.3083 13.3083 13.3111 13.3111 13.3828 13.3828 13.4351 13.4351 13.5594 13.5594 k = 0.4653 0.4653 0.4653 ( 2878 PWs) bands (ev): -71.9689 -71.9689 -40.7584 -40.7584 -36.2757 -36.2757 -36.2757 -36.2757 8.1814 8.1814 8.1895 8.1895 8.3177 8.3177 9.4363 9.4363 10.0965 10.0965 10.1012 10.1012 11.2720 11.2720 11.3019 11.3019 11.4075 11.4075 11.7660 11.7660 11.7824 11.7824 11.8545 11.8545 12.7327 12.7327 12.8534 12.8534 12.9362 12.9362 13.0357 13.0357 13.3084 13.3084 13.3132 13.3132 13.3830 13.3830 13.4394 13.4394 13.5577 13.5577 k = 0.4722 0.4722 0.4722 ( 2872 PWs) bands (ev): -71.9689 -71.9689 -40.7584 -40.7584 -36.2757 -36.2757 -36.2757 -36.2757 8.1771 8.1771 8.1822 8.1822 8.3113 8.3113 9.4325 9.4325 10.1009 10.1009 10.1039 10.1039 11.2788 11.2788 11.2973 11.2973 11.4062 11.4062 11.7691 11.7691 11.7802 11.7802 11.8534 11.8534 12.8132 12.8132 12.9244 12.9244 13.0148 13.0148 13.0985 13.0985 13.3085 13.3085 13.3144 13.3144 13.3795 13.3795 13.4403 13.4403 13.5528 13.5528 k = 0.4792 0.4792 0.4792 ( 2872 PWs) bands (ev): -71.9689 -71.9689 -40.7584 -40.7584 -36.2757 -36.2757 -36.2757 -36.2757 8.1736 8.1736 8.1764 8.1764 8.3064 8.3064 9.4296 9.4296 10.1043 10.1043 10.1060 10.1060 11.2836 11.2836 11.2938 11.2938 11.4056 11.4056 11.7716 11.7716 11.7781 11.7781 11.8529 11.8529 12.8902 12.8902 12.9921 12.9921 13.0933 13.0933 13.1544 13.1544 13.3085 13.3085 13.3148 13.3148 13.3694 13.3694 13.4355 13.4355 13.5113 13.5113 k = 0.4861 0.4861 0.4861 ( 2872 PWs) bands (ev): -71.9689 -71.9689 -40.7584 -40.7584 -36.2757 -36.2757 -36.2757 -36.2757 8.1711 8.1711 8.1723 8.1723 8.3028 8.3028 9.4275 9.4275 10.1067 10.1067 10.1074 10.1074 11.2868 11.2868 11.2912 11.2912 11.4054 11.4054 11.7734 11.7734 11.7763 11.7763 11.8528 11.8528 12.9595 12.9595 13.0529 13.0529 13.1704 13.1704 13.2053 13.2053 13.3083 13.3083 13.3140 13.3140 13.3479 13.3479 13.4202 13.4202 13.4439 13.4439 k = 0.4931 0.4931 0.4931 ( 2872 PWs) bands (ev): -71.9689 -71.9689 -40.7584 -40.7584 -36.2757 -36.2757 -36.2757 -36.2757 8.1695 8.1695 8.1698 8.1698 8.3007 8.3007 9.4263 9.4263 10.1081 10.1081 10.1083 10.1083 11.2885 11.2885 11.2896 11.2896 11.4053 11.4053 11.7745 11.7745 11.7752 11.7752 11.8528 11.8528 13.0114 13.0114 13.1020 13.1020 13.2424 13.2424 13.2539 13.2539 13.3064 13.3064 13.3075 13.3075 13.3184 13.3184 13.3884 13.3884 13.3892 13.3892 k = 0.5000 0.5000 0.5000 ( 2872 PWs) bands (ev): -71.9689 -71.9689 -40.7584 -40.7584 -36.2757 -36.2757 -36.2757 -36.2757 8.1690 8.1690 8.1690 8.1690 8.3000 8.3000 9.4258 9.4258 10.1085 10.1085 10.1085 10.1085 11.2891 11.2891 11.2891 11.2891 11.4053 11.4053 11.7749 11.7749 11.7749 11.7749 11.8528 11.8528 13.0311 13.0311 13.1246 13.1246 13.2897 13.2897 13.2897 13.2897 13.2916 13.2916 13.3016 13.3016 13.3016 13.3016 13.3611 13.3611 13.3611 13.3611 k = 0.5000 0.5000 0.5000 ( 2872 PWs) bands (ev): -71.9689 -71.9689 -40.7584 -40.7584 -36.2757 -36.2757 -36.2757 -36.2757 8.1690 8.1690 8.1690 8.1690 8.3000 8.3000 9.4258 9.4258 10.1085 10.1085 10.1085 10.1085 11.2891 11.2891 11.2891 11.2891 11.4053 11.4053 11.7749 11.7749 11.7749 11.7749 11.8528 11.8528 13.0311 13.0311 13.1246 13.1246 13.2897 13.2897 13.2897 13.2897 13.2916 13.2916 13.3016 13.3016 13.3016 13.3016 13.3611 13.3611 13.3611 13.3611 k = 0.4915 0.5000 0.4915 ( 2872 PWs) bands (ev): -71.9689 -71.9689 -40.7584 -40.7584 -36.2757 -36.2757 -36.2757 -36.2757 8.1695 8.1695 8.1698 8.1698 8.3007 8.3007 9.4262 9.4262 10.1078 10.1078 10.1086 10.1086 11.2886 11.2886 11.2896 11.2896 11.4053 11.4053 11.7745 11.7745 11.7752 11.7752 11.8528 11.8528 13.0117 13.0117 13.1019 13.1019 13.2451 13.2451 13.2504 13.2504 13.3033 13.3033 13.3112 13.3112 13.3201 13.3201 13.3823 13.3823 13.3939 13.3939 k = 0.4831 0.5000 0.4831 ( 2872 PWs) bands (ev): -71.9689 -71.9689 -40.7584 -40.7584 -36.2757 -36.2757 -36.2757 -36.2757 8.1710 8.1710 8.1723 8.1723 8.3028 8.3028 9.4275 9.4275 10.1054 10.1054 10.1087 10.1087 11.2871 11.2871 11.2909 11.2909 11.4053 11.4053 11.7735 11.7735 11.7762 11.7762 11.8528 11.8528 12.9612 12.9612 13.0522 13.0522 13.1765 13.1765 13.1937 13.1937 13.3034 13.3034 13.3248 13.3248 13.3531 13.3531 13.4247 13.4247 13.4347 13.4347 k = 0.4746 0.5000 0.4746 ( 2872 PWs) bands (ev): -71.9689 -71.9689 -40.7584 -40.7584 -36.2757 -36.2757 -36.2757 -36.2757 8.1735 8.1735 8.1765 8.1765 8.3063 8.3063 9.4295 9.4295 10.1015 10.1015 10.1089 10.1089 11.2844 11.2844 11.2930 11.2930 11.4055 11.4055 11.7718 11.7718 11.7779 11.7779 11.8529 11.8529 12.8942 12.8942 12.9911 12.9911 13.1027 13.1027 13.1314 13.1314 13.3032 13.3032 13.3261 13.3261 13.3891 13.3891 13.4613 13.4613 13.4746 13.4746 k = 0.4661 0.5000 0.4661 ( 2872 PWs) bands (ev): -71.9689 -71.9689 -40.7584 -40.7584 -36.2757 -36.2757 -36.2757 -36.2757 8.1769 8.1769 8.1823 8.1823 8.3113 8.3113 9.4324 9.4324 10.0960 10.0960 10.1091 10.1091 11.2804 11.2804 11.2959 11.2959 11.4060 11.4060 11.7695 11.7695 11.7799 11.7799 11.8533 11.8533 12.8198 12.8198 12.9238 12.9238 13.0266 13.0266 13.0644 13.0644 13.3026 13.3026 13.3261 13.3261 13.4109 13.4109 13.4913 13.4913 13.5160 13.5160 k = 0.4576 0.5000 0.4576 ( 2880 PWs) bands (ev): -71.9689 -71.9689 -40.7584 -40.7584 -36.2757 -36.2757 -36.2756 -36.2756 8.1812 8.1812 8.1896 8.1896 8.3176 8.3176 9.4361 9.4361 10.0889 10.0889 10.1093 10.1093 11.2749 11.2749 11.2994 11.2994 11.4070 11.4070 11.7665 11.7665 11.7821 11.7821 11.8543 11.8543 12.7425 12.7425 12.8530 12.8530 12.9490 12.9490 12.9932 12.9932 13.3016 13.3016 13.3255 13.3255 13.4213 13.4213 13.5192 13.5192 13.5526 13.5526 k = 0.4492 0.5000 0.4492 ( 2880 PWs) bands (ev): -71.9689 -71.9689 -40.7584 -40.7584 -36.2757 -36.2757 -36.2756 -36.2756 8.1863 8.1863 8.1986 8.1986 8.3254 8.3254 9.4406 9.4406 10.0801 10.0801 10.1097 10.1097 11.2677 11.2677 11.3034 11.3034 11.4088 11.4088 11.7628 11.7628 11.7841 11.7841 11.8562 11.8562 12.6643 12.6643 12.7800 12.7800 12.8707 12.8707 12.9186 12.9186 13.3004 13.3004 13.3244 13.3244 13.4257 13.4257 13.5386 13.5386 13.5715 13.5715 k = 0.4407 0.5000 0.4407 ( 2888 PWs) bands (ev): -71.9689 -71.9689 -40.7584 -40.7584 -36.2757 -36.2757 -36.2756 -36.2756 8.1920 8.1920 8.2090 8.2090 8.3347 8.3347 9.4458 9.4458 10.0696 10.0696 10.1101 10.1101 11.2585 11.2585 11.3075 11.3075 11.4116 11.4116 11.7585 11.7585 11.7856 11.7856 11.8595 11.8595 12.5864 12.5864 12.7052 12.7052 12.7927 12.7927 12.8413 12.8413 13.2989 13.2989 13.3229 13.3229 13.4268 13.4268 13.5456 13.5456 13.5885 13.5885 k = 0.4322 0.5000 0.4322 ( 2892 PWs) bands (ev): -71.9689 -71.9689 -40.7583 -40.7583 -36.2757 -36.2757 -36.2756 -36.2756 8.1983 8.1983 8.2208 8.2208 8.3454 8.3454 9.4519 9.4519 10.0574 10.0574 10.1104 10.1104 11.2473 11.2473 11.3116 11.3116 11.4156 11.4156 11.7535 11.7535 11.7864 11.7864 11.8645 11.8645 12.5092 12.5092 12.6286 12.6286 12.7162 12.7162 12.7621 12.7621 13.2971 13.2971 13.3210 13.3210 13.4262 13.4262 13.5466 13.5466 13.6072 13.6072 k = 0.4237 0.5000 0.4237 ( 2884 PWs) bands (ev): -71.9689 -71.9689 -40.7583 -40.7583 -36.2757 -36.2757 -36.2755 -36.2755 8.2052 8.2052 8.2340 8.2340 8.3576 8.3576 9.4587 9.4587 10.0437 10.0437 10.1109 10.1109 11.2339 11.2339 11.3153 11.3153 11.4210 11.4210 11.7476 11.7476 11.7862 11.7862 11.8715 11.8715 12.4334 12.4334 12.5500 12.5500 12.6421 12.6421 12.6819 12.6819 13.2951 13.2951 13.3189 13.3189 13.4243 13.4243 13.5458 13.5458 13.6233 13.6233 k = 0.4153 0.5000 0.4153 ( 2896 PWs) bands (ev): -71.9689 -71.9689 -40.7583 -40.7583 -36.2757 -36.2757 -36.2755 -36.2755 8.2125 8.2125 8.2483 8.2483 8.3712 8.3712 9.4662 9.4662 10.0280 10.0280 10.1112 10.1112 11.2181 11.2181 11.3180 11.3180 11.4280 11.4280 11.7408 11.7408 11.7851 11.7851 11.8805 11.8805 12.3592 12.3592 12.4698 12.4698 12.5699 12.5699 12.6025 12.6025 13.2929 13.2929 13.3165 13.3165 13.4214 13.4214 13.5441 13.5441 13.6360 13.6360 k = 0.4068 0.5000 0.4068 ( 2896 PWs) bands (ev): -71.9689 -71.9689 -40.7583 -40.7583 -36.2757 -36.2757 -36.2755 -36.2755 8.2201 8.2201 8.2638 8.2638 8.3862 8.3862 9.4744 9.4744 10.0107 10.0107 10.1117 10.1117 11.2000 11.2000 11.3193 11.3193 11.4365 11.4365 11.7327 11.7327 11.7834 11.7834 11.8915 11.8915 12.2871 12.2871 12.3892 12.3892 12.4967 12.4967 12.5275 12.5275 13.2904 13.2904 13.3138 13.3138 13.4178 13.4178 13.5420 13.5420 13.6452 13.6452 k = 0.3983 0.5000 0.3983 ( 2896 PWs) bands (ev): -71.9689 -71.9689 -40.7583 -40.7583 -36.2757 -36.2757 -36.2754 -36.2754 8.2281 8.2281 8.2803 8.2803 8.4024 8.4024 9.4832 9.4832 9.9916 9.9916 10.1120 10.1120 11.1794 11.1794 11.3186 11.3186 11.4466 11.4466 11.7229 11.7229 11.7813 11.7813 11.9043 11.9043 12.2173 12.2173 12.3096 12.3096 12.4198 12.4198 12.4601 12.4601 13.2878 13.2878 13.3110 13.3110 13.4136 13.4136 13.5394 13.5394 13.6509 13.6509 k = 0.3898 0.5000 0.3898 ( 2892 PWs) bands (ev): -71.9689 -71.9689 -40.7583 -40.7583 -36.2757 -36.2757 -36.2754 -36.2754 8.2362 8.2362 8.2977 8.2977 8.4198 8.4198 9.4926 9.4926 9.9708 9.9708 10.1124 10.1124 11.1563 11.1563 11.3151 11.3151 11.4583 11.4583 11.7109 11.7109 11.7793 11.7793 11.9188 11.9188 12.1502 12.1502 12.2326 12.2326 12.3408 12.3408 12.3991 12.3991 13.2849 13.2849 13.3079 13.3079 13.4089 13.4089 13.5365 13.5365 13.6534 13.6534 k = 0.3814 0.5000 0.3814 ( 2892 PWs) bands (ev): -71.9689 -71.9689 -40.7583 -40.7583 -36.2757 -36.2757 -36.2753 -36.2753 8.2444 8.2444 8.3157 8.3157 8.4384 8.4384 9.5024 9.5024 9.9484 9.9484 10.1127 10.1127 11.1305 11.1305 11.3080 11.3080 11.4714 11.4714 11.6959 11.6959 11.7776 11.7776 11.9348 11.9348 12.0864 12.0864 12.1599 12.1599 12.2624 12.2624 12.3425 12.3425 13.2818 13.2818 13.3046 13.3046 13.4035 13.4035 13.5333 13.5333 13.6528 13.6528 k = 0.3729 0.5000 0.3729 ( 2888 PWs) bands (ev): -71.9689 -71.9689 -40.7582 -40.7582 -36.2757 -36.2757 -36.2753 -36.2753 8.2527 8.2527 8.3342 8.3342 8.4580 8.4580 9.5125 9.5125 9.9245 9.9245 10.1130 10.1130 11.1021 11.1021 11.2964 11.2964 11.4858 11.4858 11.6772 11.6772 11.7764 11.7764 11.9520 11.9520 12.0260 12.0260 12.0936 12.0936 12.1866 12.1866 12.2891 12.2891 13.2785 13.2785 13.3012 13.3012 13.3977 13.3977 13.5299 13.5299 13.6493 13.6494 k = 0.3644 0.5000 0.3644 ( 2888 PWs) bands (ev): -71.9689 -71.9689 -40.7582 -40.7582 -36.2757 -36.2757 -36.2752 -36.2752 8.2609 8.2609 8.3529 8.3529 8.4785 8.4785 9.5228 9.5228 9.8991 9.8991 10.1131 10.1131 11.0707 11.0707 11.2795 11.2795 11.5014 11.5014 11.6537 11.6537 11.7760 11.7760 11.9681 11.9681 11.9708 11.9708 12.0353 12.0353 12.1151 12.1151 12.2389 12.2389 13.2750 13.2750 13.2976 13.2976 13.3914 13.3914 13.5263 13.5263 13.6432 13.6432 k = 0.3559 0.5000 0.3559 ( 2890 PWs) bands (ev): -71.9689 -71.9689 -40.7582 -40.7582 -36.2757 -36.2757 -36.2751 -36.2751 8.2691 8.2691 8.3715 8.3715 8.4999 8.4999 9.5329 9.5329 9.8724 9.8724 10.1132 10.1132 11.0365 11.0365 11.2565 11.2565 11.5181 11.5181 11.6249 11.6249 11.7761 11.7761 11.9154 11.9154 11.9828 11.9828 11.9900 11.9900 12.0516 12.0516 12.1919 12.1919 13.2713 13.2713 13.2939 13.2939 13.3846 13.3846 13.5224 13.5224 13.6347 13.6347 k = 0.3475 0.5000 0.3475 ( 2886 PWs) bands (ev): -71.9689 -71.9689 -40.7582 -40.7582 -36.2757 -36.2757 -36.2751 -36.2751 8.2771 8.2771 8.3897 8.3897 8.5222 8.5222 9.5425 9.5425 9.8449 9.8449 10.1133 10.1133 10.9992 10.9992 11.2273 11.2273 11.5357 11.5357 11.5904 11.5904 11.7766 11.7766 11.8640 11.8640 11.9471 11.9471 11.9806 11.9806 12.0190 12.0190 12.1491 12.1491 13.2674 13.2674 13.2900 13.2900 13.3773 13.3773 13.5183 13.5183 13.6239 13.6239 k = 0.3390 0.5000 0.3390 ( 2886 PWs) bands (ev): -71.9689 -71.9689 -40.7582 -40.7582 -36.2757 -36.2757 -36.2750 -36.2750 8.2850 8.2850 8.4071 8.4071 8.5454 8.5454 9.5511 9.5511 9.8167 9.8167 10.1134 10.1134 10.9588 10.9588 11.1924 11.1924 11.5483 11.5483 11.5563 11.5563 11.7748 11.7748 11.8157 11.8157 11.9181 11.9181 11.9403 11.9403 12.0263 12.0263 12.1150 12.1150 13.2633 13.2633 13.2861 13.2861 13.3696 13.3696 13.5139 13.5139 13.6111 13.6111 k = 0.3305 0.5000 0.3305 ( 2892 PWs) bands (ev): -71.9689 -71.9689 -40.7581 -40.7581 -36.2757 -36.2757 -36.2749 -36.2749 8.2926 8.2926 8.4233 8.4233 8.5693 8.5693 9.5578 9.5578 9.7885 9.7885 10.1136 10.1136 10.9152 10.9152 11.1529 11.1529 11.5060 11.5060 11.5735 11.5735 11.7490 11.7490 11.7908 11.7908 11.8979 11.8979 11.9071 11.9071 12.0203 12.0203 12.1024 12.1024 13.2591 13.2591 13.2822 13.2822 13.3613 13.3613 13.5094 13.5094 13.5964 13.5964 k = 0.3220 0.5000 0.3220 ( 2892 PWs) bands (ev): -71.9689 -71.9689 -40.7581 -40.7581 -36.2757 -36.2757 -36.2748 -36.2748 8.2998 8.2998 8.4379 8.4379 8.5941 8.5941 9.5618 9.5618 9.7610 9.7610 10.1142 10.1142 10.8686 10.8686 11.1105 11.1105 11.4593 11.4593 11.5929 11.5929 11.6994 11.6994 11.7894 11.7894 11.8828 11.8828 11.8870 11.8870 11.9936 11.9936 12.1146 12.1146 13.2548 13.2548 13.2782 13.2782 13.3526 13.3526 13.5045 13.5045 13.5799 13.5799 k = 0.3136 0.5000 0.3136 ( 2880 PWs) bands (ev): -71.9689 -71.9689 -40.7581 -40.7581 -36.2757 -36.2757 -36.2748 -36.2748 8.3067 8.3067 8.4505 8.4505 8.6199 8.6199 9.5615 9.5615 9.7354 9.7354 10.1155 10.1155 10.8192 10.8192 11.0670 11.0670 11.4111 11.4111 11.6116 11.6116 11.6489 11.6489 11.7901 11.7901 11.8684 11.8684 11.8813 11.8813 11.9608 11.9608 12.1371 12.1371 13.2503 13.2503 13.2742 13.2742 13.3434 13.3434 13.4993 13.4993 13.5615 13.5615 k = 0.3051 0.5000 0.3051 ( 2880 PWs) bands (ev): -71.9689 -71.9689 -40.7581 -40.7581 -36.2757 -36.2757 -36.2747 -36.2747 8.3131 8.3131 8.4607 8.4607 8.6465 8.6465 9.5552 9.5552 9.7128 9.7128 10.1176 10.1176 10.7671 10.7671 11.0242 11.0242 11.3625 11.3625 11.5936 11.5936 11.6366 11.6366 11.7896 11.7896 11.8594 11.8594 11.8807 11.8807 11.9303 11.9303 12.1635 12.1635 13.2457 13.2457 13.2703 13.2703 13.3337 13.3337 13.4934 13.4934 13.5407 13.5407 k = 0.2966 0.5000 0.2966 ( 2880 PWs) bands (ev): -71.9689 -71.9689 -40.7580 -40.7580 -36.2757 -36.2757 -36.2746 -36.2746 8.3189 8.3189 8.4680 8.4680 8.6740 8.6740 9.5419 9.5419 9.6943 9.6943 10.1209 10.1209 10.7126 10.7126 10.9837 10.9837 11.3144 11.3144 11.5460 11.5460 11.6561 11.6561 11.7874 11.7874 11.8499 11.8499 11.8806 11.8806 11.9120 11.9120 12.1920 12.1920 13.2411 13.2411 13.2664 13.2664 13.3234 13.3234 13.4862 13.4862 13.5176 13.5176 k = 0.2881 0.5000 0.2881 ( 2872 PWs) bands (ev): -71.9689 -71.9689 -40.7580 -40.7580 -36.2757 -36.2757 -36.2745 -36.2745 8.3241 8.3241 8.4722 8.4722 8.7022 8.7022 9.5214 9.5214 9.6795 9.6795 10.1259 10.1259 10.6565 10.6565 10.9467 10.9467 11.2672 11.2672 11.5000 11.5000 11.6766 11.6766 11.7842 11.7842 11.8291 11.8291 11.8819 11.8819 11.9142 11.9142 12.2220 12.2220 13.2364 13.2364 13.2626 13.2626 13.3125 13.3125 13.4762 13.4762 13.4929 13.4929 k = 0.2797 0.5000 0.2797 ( 2878 PWs) bands (ev): -71.9689 -71.9689 -40.7580 -40.7580 -36.2757 -36.2757 -36.2744 -36.2744 8.3285 8.3285 8.4730 8.4730 8.7311 8.7311 9.4952 9.4952 9.6667 9.6667 10.1327 10.1327 10.5992 10.5992 10.9141 10.9141 11.2212 11.2212 11.4564 11.4564 11.6968 11.6968 11.7802 11.7802 11.8007 11.8007 11.8893 11.8893 11.9269 11.9269 12.2529 12.2529 13.2318 13.2318 13.2588 13.2588 13.3010 13.3010 13.4613 13.4613 13.4668 13.4668 k = 0.2712 0.5000 0.2712 ( 2876 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2757 -36.2757 -36.2743 -36.2743 8.3321 8.3321 8.4702 8.4702 8.7605 8.7605 9.4651 9.4651 9.6543 9.6543 10.1414 10.1414 10.5416 10.5416 10.8865 10.8865 11.1765 11.1765 11.4155 11.4155 11.7159 11.7159 11.7655 11.7655 11.7824 11.7824 11.9009 11.9009 11.9443 11.9443 12.2846 12.2846 13.2272 13.2272 13.2551 13.2551 13.2888 13.2888 13.4392 13.4392 13.4422 13.4422 k = 0.2627 0.5000 0.2627 ( 2880 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2757 -36.2757 -36.2742 -36.2742 8.3348 8.3348 8.4636 8.4636 8.7904 8.7904 9.4326 9.4326 9.6410 9.6410 10.1516 10.1516 10.4849 10.4849 10.8641 10.8641 11.1331 11.1331 11.3771 11.3771 11.7288 11.7288 11.7387 11.7387 11.7827 11.7827 11.9152 11.9152 11.9648 11.9648 12.3168 12.3168 13.2227 13.2227 13.2513 13.2513 13.2759 13.2759 13.4114 13.4114 13.4196 13.4196 k = 0.2542 0.5000 0.2542 ( 2876 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2757 -36.2757 -36.2741 -36.2741 8.3366 8.3366 8.4531 8.4531 8.8205 8.8205 9.3989 9.3989 9.6262 9.6262 10.1621 10.1621 10.4307 10.4307 10.8469 10.8469 11.0911 11.0911 11.3413 11.3413 11.7029 11.7029 11.7445 11.7445 11.7904 11.7904 11.9315 11.9315 11.9876 11.9876 12.3493 12.3493 13.2183 13.2183 13.2473 13.2473 13.2623 13.2623 13.3829 13.3829 13.3958 13.3958 k = 0.2458 0.5000 0.2458 ( 2880 PWs) bands (ev): -71.9690 -71.9690 -40.7578 -40.7578 -36.2757 -36.2757 -36.2740 -36.2740 8.3374 8.3374 8.4388 8.4388 8.8507 8.8507 9.3646 9.3646 9.6099 9.6099 10.1703 10.1703 10.3820 10.3820 10.8349 10.8349 11.0504 11.0504 11.3078 11.3078 11.6724 11.6724 11.7493 11.7493 11.8051 11.8051 11.9494 11.9494 12.0123 12.0123 12.3819 12.3819 13.2140 13.2140 13.2410 13.2410 13.2496 13.2496 13.3543 13.3543 13.3713 13.3713 k = 0.2373 0.5000 0.2373 ( 2884 PWs) bands (ev): -71.9690 -71.9690 -40.7578 -40.7578 -36.2757 -36.2757 -36.2739 -36.2739 8.3371 8.3371 8.4206 8.4206 8.8808 8.8808 9.3305 9.3305 9.5921 9.5921 10.1708 10.1708 10.3444 10.3444 10.8277 10.8277 11.0110 11.0110 11.2766 11.2766 11.6425 11.6425 11.7511 11.7511 11.8238 11.8238 11.9688 11.9688 12.0384 12.0384 12.4143 12.4143 13.2095 13.2095 13.2270 13.2270 13.2429 13.2429 13.3261 13.3261 13.3466 13.3466 k = 0.2288 0.5000 0.2288 ( 2884 PWs) bands (ev): -71.9690 -71.9690 -40.7578 -40.7578 -36.2756 -36.2756 -36.2739 -36.2739 8.3355 8.3355 8.3988 8.3988 8.9105 8.9105 9.2971 9.2971 9.5735 9.5735 10.1557 10.1557 10.3256 10.3256 10.8250 10.8250 10.9730 10.9730 11.2476 11.2476 11.6133 11.6133 11.7522 11.7522 11.8442 11.8442 11.9893 11.9893 12.0656 12.0656 12.4463 12.4463 13.2028 13.2028 13.2104 13.2104 13.2385 13.2385 13.2989 13.2989 13.3224 13.3224 k = 0.2203 0.5000 0.2203 ( 2882 PWs) bands (ev): -71.9690 -71.9690 -40.7578 -40.7578 -36.2756 -36.2756 -36.2738 -36.2738 8.3327 8.3327 8.3737 8.3737 8.9394 8.9394 9.2649 9.2649 9.5544 9.5544 10.1241 10.1241 10.3266 10.3266 10.8264 10.8264 10.9364 10.9364 11.2206 11.2206 11.5849 11.5849 11.7536 11.7536 11.8653 11.8653 12.0109 12.0109 12.0935 12.0935 12.4776 12.4776 13.1836 13.1836 13.2020 13.2020 13.2340 13.2340 13.2734 13.2734 13.2998 13.2998 k = 0.2119 0.5000 0.2119 ( 2876 PWs) bands (ev): -71.9690 -71.9690 -40.7577 -40.7577 -36.2756 -36.2756 -36.2736 -36.2736 8.3274 8.3274 8.3467 8.3467 8.9672 8.9672 9.2345 9.2345 9.5352 9.5352 10.0828 10.0828 10.3405 10.3405 10.8315 10.8315 10.9010 10.9010 11.1955 11.1955 11.5573 11.5573 11.7555 11.7555 11.8867 11.8867 12.0335 12.0335 12.1220 12.1220 12.5080 12.5080 13.1581 13.1581 13.1946 13.1946 13.2292 13.2292 13.2502 13.2502 13.2803 13.2803 k = 0.2034 0.5000 0.2034 ( 2876 PWs) bands (ev): -71.9690 -71.9690 -40.7577 -40.7577 -36.2756 -36.2756 -36.2736 -36.2736 8.3097 8.3097 8.3282 8.3282 8.9928 8.9928 9.2066 9.2066 9.5163 9.5163 10.0380 10.0380 10.3608 10.3608 10.8398 10.8398 10.8670 10.8670 11.1722 11.1722 11.5306 11.5306 11.7583 11.7583 11.9081 11.9081 12.0569 12.0569 12.1506 12.1506 12.5372 12.5372 13.1291 13.1291 13.1831 13.1831 13.2231 13.2231 13.2307 13.2307 13.2655 13.2655 k = 0.1949 0.5000 0.1949 ( 2880 PWs) bands (ev): -71.9690 -71.9690 -40.7577 -40.7577 -36.2756 -36.2756 -36.2735 -36.2735 8.2776 8.2776 8.3204 8.3204 9.0146 9.0146 9.1831 9.1831 9.4980 9.4980 9.9928 9.9928 10.3844 10.3844 10.8343 10.8343 10.8511 10.8511 11.1506 11.1506 11.5048 11.5048 11.7622 11.7622 11.9294 11.9294 12.0811 12.0811 12.1792 12.1792 12.5649 12.5649 13.0974 13.0974 13.1659 13.1659 13.2072 13.2072 13.2245 13.2245 13.2556 13.2556 k = 0.1864 0.5000 0.1864 ( 2876 PWs) bands (ev): -71.9690 -71.9690 -40.7576 -40.7576 -36.2756 -36.2756 -36.2734 -36.2734 8.2422 8.2422 8.3129 8.3129 9.0293 9.0293 9.1671 9.1671 9.4805 9.4805 9.9486 9.9486 10.4097 10.4097 10.8030 10.8030 10.8649 10.8649 11.1306 11.1306 11.4799 11.4799 11.7671 11.7671 11.9505 11.9505 12.1060 12.1060 12.2074 12.2074 12.5910 12.5910 13.0636 13.0636 13.1440 13.1440 13.1888 13.1888 13.2242 13.2242 13.2492 13.2492 k = 0.1780 0.5000 0.1780 ( 2876 PWs) bands (ev): -71.9690 -71.9690 -40.7576 -40.7576 -36.2756 -36.2756 -36.2733 -36.2733 8.2051 8.2051 8.3046 8.3046 9.0328 9.0328 9.1625 9.1625 9.4639 9.4639 9.9062 9.9062 10.4357 10.4357 10.7731 10.7731 10.8808 10.8808 11.1121 11.1121 11.4559 11.4559 11.7732 11.7732 11.9713 11.9713 12.1314 12.1314 12.2350 12.2350 12.6152 12.6152 13.0282 13.0282 13.1193 13.1193 13.1707 13.1707 13.2263 13.2263 13.2448 13.2448 k = 0.1695 0.5000 0.1695 ( 2880 PWs) bands (ev): -71.9690 -71.9690 -40.7576 -40.7576 -36.2756 -36.2756 -36.2732 -36.2732 8.1669 8.1669 8.2953 8.2953 9.0243 9.0243 9.1703 9.1703 9.4483 9.4483 9.8659 9.8659 10.4620 10.4620 10.7444 10.7444 10.8986 10.8986 11.0951 11.0951 11.4328 11.4328 11.7806 11.7806 11.9919 11.9919 12.1573 12.1573 12.2617 12.2617 12.6374 12.6374 12.9917 12.9917 13.0930 13.0930 13.1529 13.1529 13.2300 13.2300 13.2417 13.2417 k = 0.1610 0.5000 0.1610 ( 2880 PWs) bands (ev): -71.9690 -71.9690 -40.7575 -40.7575 -36.2756 -36.2756 -36.2731 -36.2731 8.1280 8.1280 8.2852 8.2852 9.0079 9.0079 9.1860 9.1860 9.4338 9.4338 9.8282 9.8282 10.4881 10.4881 10.7172 10.7172 10.9177 10.9177 11.0795 11.0795 11.4108 11.4108 11.7892 11.7892 12.0120 12.0120 12.1836 12.1836 12.2873 12.2873 12.6574 12.6574 12.9544 12.9544 13.0659 13.0659 13.1350 13.1350 13.2336 13.2336 13.2410 13.2410 k = 0.1525 0.5000 0.1525 ( 2872 PWs) bands (ev): -71.9690 -71.9690 -40.7575 -40.7575 -36.2756 -36.2756 -36.2730 -36.2730 8.0890 8.0890 8.2744 8.2744 8.9879 8.9879 9.2055 9.2055 9.4204 9.4204 9.7932 9.7932 10.5138 10.5138 10.6913 10.6913 10.9380 10.9380 11.0651 11.0651 11.3897 11.3897 11.7992 11.7992 12.0317 12.0317 12.2104 12.2104 12.3117 12.3117 12.6753 12.6753 12.9164 12.9164 13.0385 13.0385 13.1171 13.1171 13.2329 13.2329 13.2466 13.2466 k = 0.1441 0.5000 0.1441 ( 2870 PWs) bands (ev): -71.9690 -71.9690 -40.7575 -40.7575 -36.2755 -36.2755 -36.2729 -36.2729 8.0503 8.0503 8.2629 8.2629 8.9666 8.9666 9.2261 9.2261 9.4080 9.4080 9.7608 9.7608 10.5389 10.5389 10.6667 10.6667 10.9589 10.9589 11.0520 11.0520 11.3696 11.3696 11.8106 11.8106 12.0508 12.0508 12.2373 12.2373 12.3347 12.3347 12.6909 12.6909 12.8779 12.8779 13.0109 13.0109 13.0990 13.0990 13.2304 13.2304 13.2556 13.2556 k = 0.1356 0.5000 0.1356 ( 2874 PWs) bands (ev): -71.9690 -71.9690 -40.7574 -40.7574 -36.2755 -36.2755 -36.2728 -36.2728 8.0122 8.0122 8.2509 8.2509 8.9451 8.9451 9.2465 9.2465 9.3968 9.3968 9.7311 9.7311 10.5632 10.5632 10.6437 10.6437 10.9803 10.9803 11.0401 11.0401 11.3505 11.3505 11.8234 11.8234 12.0694 12.0694 12.2645 12.2645 12.3562 12.3562 12.7044 12.7044 12.8391 12.8391 12.9833 12.9833 13.0806 13.0806 13.2276 13.2276 13.2665 13.2665 k = 0.1271 0.5000 0.1271 ( 2874 PWs) bands (ev): -71.9690 -71.9690 -40.7574 -40.7574 -36.2755 -36.2755 -36.2727 -36.2727 7.9750 7.9750 8.2386 8.2386 8.9241 8.9241 9.2660 9.2660 9.3867 9.3867 9.7042 9.7042 10.5863 10.5863 10.6222 10.6222 11.0015 11.0015 11.0296 11.0296 11.3324 11.3324 11.8376 11.8376 12.0874 12.0874 12.2917 12.2917 12.3763 12.3763 12.7159 12.7159 12.8001 12.8001 12.9560 12.9560 13.0620 13.0620 13.2245 13.2245 13.2790 13.2790 k = 0.1186 0.5000 0.1186 ( 2872 PWs) bands (ev): -71.9690 -71.9690 -40.7574 -40.7574 -36.2755 -36.2755 -36.2727 -36.2727 7.9390 7.9390 8.2261 8.2261 8.9040 8.9040 9.2840 9.2840 9.3779 9.3779 9.6803 9.6803 10.5987 10.5987 10.6120 10.6120 11.0162 11.0162 11.0265 11.0265 11.3155 11.3155 11.8533 11.8533 12.1047 12.1047 12.3189 12.3189 12.3949 12.3949 12.7254 12.7254 12.7610 12.7610 12.9289 12.9289 13.0430 13.0430 13.2214 13.2214 13.2926 13.2926 k = 0.1102 0.5000 0.1102 ( 2876 PWs) bands (ev): -71.9690 -71.9690 -40.7573 -40.7573 -36.2755 -36.2755 -36.2726 -36.2726 7.9046 7.9046 8.2135 8.2135 8.8847 8.8847 9.2998 9.2998 9.3705 9.3705 9.6591 9.6591 10.5814 10.5814 10.6318 10.6318 11.0094 11.0094 11.0453 11.0453 11.2996 11.2996 11.8704 11.8704 12.1212 12.1212 12.3460 12.3460 12.4121 12.4121 12.7219 12.7219 12.7331 12.7331 12.9022 12.9022 13.0237 13.0237 13.2182 13.2182 13.3072 13.3073 k = 0.1017 0.5000 0.1017 ( 2860 PWs) bands (ev): -71.9690 -71.9690 -40.7573 -40.7573 -36.2755 -36.2755 -36.2725 -36.2725 7.8719 7.8719 8.2011 8.2011 8.8666 8.8666 9.3126 9.3126 9.3654 9.3654 9.6410 9.6410 10.5639 10.5639 10.6522 10.6522 11.0016 11.0016 11.0654 11.0654 11.2848 11.2848 11.8890 11.8890 12.1369 12.1369 12.3727 12.3727 12.4281 12.4281 12.6832 12.6832 12.7393 12.7393 12.8760 12.8760 13.0042 13.0042 13.2151 13.2151 13.3226 13.3226 k = 0.0932 0.5000 0.0932 ( 2868 PWs) bands (ev): -71.9690 -71.9690 -40.7573 -40.7573 -36.2755 -36.2755 -36.2724 -36.2724 7.8412 7.8412 8.1890 8.1890 8.8497 8.8497 9.3211 9.3211 9.3632 9.3632 9.6255 9.6255 10.5476 10.5476 10.6714 10.6714 10.9944 10.9944 11.0848 11.0848 11.2711 11.2711 11.9090 11.9090 12.1517 12.1517 12.3987 12.3987 12.4433 12.4433 12.6448 12.6448 12.7440 12.7440 12.8503 12.8503 12.9843 12.9843 13.2119 13.2119 13.3383 13.3383 k = 0.0847 0.5000 0.0847 ( 2876 PWs) bands (ev): -71.9690 -71.9690 -40.7573 -40.7573 -36.2755 -36.2755 -36.2724 -36.2724 7.8126 7.8126 8.1774 8.1774 8.8341 8.8341 9.3243 9.3243 9.3649 9.3649 9.6129 9.6129 10.5327 10.5327 10.6894 10.6894 10.9881 10.9881 11.1031 11.1031 11.2585 11.2585 11.9303 11.9303 12.1655 12.1655 12.4231 12.4231 12.4582 12.4582 12.6075 12.6075 12.7475 12.7475 12.8252 12.8252 12.9641 12.9641 13.2089 13.2089 13.3541 13.3541 k = 0.0763 0.5000 0.0763 ( 2876 PWs) bands (ev): -71.9690 -71.9690 -40.7573 -40.7573 -36.2755 -36.2755 -36.2723 -36.2723 7.7863 7.7863 8.1664 8.1664 8.8198 8.8198 9.3236 9.3236 9.3692 9.3692 9.6031 9.6031 10.5192 10.5192 10.7060 10.7060 10.9824 10.9824 11.1202 11.1202 11.2471 11.2471 11.9531 11.9531 12.1783 12.1783 12.4435 12.4435 12.4742 12.4742 12.5723 12.5723 12.7500 12.7500 12.8009 12.8009 12.9437 12.9437 13.2060 13.2060 13.3695 13.3695 k = 0.0678 0.5000 0.0678 ( 2876 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2755 -36.2755 -36.2723 -36.2723 7.7625 7.7625 8.1561 8.1561 8.8069 8.8069 9.3210 9.3210 9.3740 9.3740 9.5957 9.5957 10.5071 10.5071 10.7213 10.7213 10.9775 10.9775 11.1358 11.1358 11.2369 11.2369 11.9772 11.9772 12.1900 12.1900 12.4552 12.4552 12.4930 12.4931 12.5425 12.5425 12.7517 12.7517 12.7773 12.7773 12.9231 12.9231 13.2033 13.2033 13.3844 13.3844 k = 0.0593 0.5000 0.0593 ( 2876 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2755 -36.2755 -36.2722 -36.2722 7.7412 7.7412 8.1467 8.1467 8.7955 8.7955 9.3178 9.3178 9.3781 9.3781 9.5906 9.5906 10.4964 10.4964 10.7350 10.7350 10.9732 10.9732 11.1498 11.1498 11.2279 11.2279 12.0025 12.0025 12.2004 12.2004 12.4508 12.4508 12.5120 12.5120 12.5282 12.5282 12.7527 12.7527 12.7547 12.7547 12.9024 12.9024 13.2008 13.2008 13.3984 13.3984 k = 0.0508 0.5000 0.0508 ( 2872 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2755 -36.2755 -36.2722 -36.2722 7.7225 7.7225 8.1384 8.1384 8.7855 8.7855 9.3147 9.3147 9.3812 9.3812 9.5874 9.5874 10.4871 10.4871 10.7472 10.7472 10.9696 10.9696 11.1622 11.1622 11.2201 11.2201 12.0291 12.0291 12.2095 12.2095 12.4283 12.4283 12.5204 12.5204 12.5422 12.5422 12.7330 12.7330 12.7532 12.7532 12.8818 12.8818 13.1985 13.1985 13.4111 13.4111 k = 0.0424 0.5000 0.0424 ( 2872 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2755 -36.2755 -36.2721 -36.2721 7.7066 7.7066 8.1311 8.1311 8.7771 8.7771 9.3119 9.3119 9.3833 9.3833 9.5856 9.5856 10.4792 10.4792 10.7576 10.7576 10.9665 10.9665 11.1726 11.1726 11.2136 11.2136 12.0567 12.0567 12.2171 12.2171 12.3975 12.3975 12.5291 12.5291 12.5638 12.5638 12.7128 12.7128 12.7534 12.7534 12.8615 12.8615 13.1966 13.1966 13.4223 13.4223 k = 0.0339 0.5000 0.0339 ( 2872 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2755 -36.2755 -36.2721 -36.2721 7.6935 7.6935 8.1251 8.1251 8.7701 8.7701 9.3094 9.3094 9.3845 9.3845 9.5848 9.5848 10.4727 10.4727 10.7662 10.7662 10.9641 10.9641 11.1811 11.1811 11.2084 11.2084 12.0852 12.0852 12.2229 12.2229 12.3646 12.3646 12.5398 12.5398 12.5845 12.5845 12.6943 12.6943 12.7533 12.7533 12.8419 12.8419 13.1950 13.1950 13.4318 13.4318 k = 0.0254 0.5000 0.0254 ( 2876 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2755 -36.2755 -36.2721 -36.2721 7.6832 7.6832 8.1203 8.1203 8.7646 8.7646 9.3075 9.3075 9.3851 9.3851 9.5845 9.5845 10.4677 10.4677 10.7730 10.7730 10.9622 10.9622 11.1874 11.1874 11.2048 11.2048 12.1145 12.1145 12.2265 12.2265 12.3324 12.3324 12.5513 12.5513 12.6022 12.6022 12.6788 12.6788 12.7532 12.7532 12.8237 12.8237 13.1937 13.1937 13.4394 13.4394 k = 0.0169 0.5000 0.0169 ( 2874 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2755 -36.2755 -36.2721 -36.2721 7.6758 7.6758 8.1168 8.1168 8.7607 8.7607 9.3061 9.3061 9.3854 9.3854 9.5846 9.5846 10.4641 10.4641 10.7779 10.7779 10.9608 10.9608 11.1912 11.1912 11.2029 11.2029 12.1442 12.1442 12.2262 12.2262 12.3032 12.3032 12.5626 12.5626 12.6137 12.6137 12.6684 12.6684 12.7530 12.7530 12.8081 12.8081 13.1928 13.1928 13.4449 13.4449 k = 0.0085 0.5000 0.0085 ( 2874 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2755 -36.2755 -36.2721 -36.2721 7.6714 7.6714 8.1147 8.1147 8.7583 8.7583 9.3053 9.3053 9.3855 9.3855 9.5848 9.5848 10.4620 10.4620 10.7809 10.7809 10.9600 10.9600 11.1926 11.1926 11.2026 11.2026 12.1733 12.1733 12.2186 12.2186 12.2818 12.2818 12.5721 12.5721 12.6166 12.6166 12.6652 12.6652 12.7528 12.7528 12.7971 12.7971 13.1922 13.1922 13.4483 13.4483 k = 0.0000 0.5000-0.0000 ( 2874 PWs) bands (ev): -71.9690 -71.9690 -40.7572 -40.7572 -36.2755 -36.2755 -36.2721 -36.2721 7.6699 7.6699 8.1140 8.1140 8.7576 8.7576 9.3050 9.3050 9.3855 9.3855 9.5849 9.5849 10.4612 10.4612 10.7819 10.7819 10.9598 10.9598 11.1928 11.1928 11.2028 11.2028 12.1981 12.1981 12.2014 12.2014 12.2742 12.2742 12.5763 12.5763 12.6158 12.6158 12.6653 12.6653 12.7528 12.7528 12.7930 12.7930 13.1920 13.1920 13.4494 13.4494 k = 0.5000 0.5000-0.0000 ( 2864 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2764 -36.2764 -36.2736 -36.2736 8.4039 8.4039 9.0658 9.0658 9.4785 9.4785 9.5652 9.5652 9.8633 9.8633 9.9204 9.9204 10.1736 10.1736 10.4804 10.4804 11.0600 11.0600 11.1702 11.1702 11.2378 11.2378 11.4258 11.4258 11.4325 11.4325 12.4083 12.4083 12.4303 12.4303 12.4335 12.4335 12.4487 12.4487 12.4915 12.4915 12.8155 12.8155 12.8599 12.8599 14.7644 14.7644 k = 0.5000 0.5000 0.0119 ( 2864 PWs) bands (ev): -71.9689 -71.9689 -40.7579 -40.7579 -36.2764 -36.2764 -36.2736 -36.2736 8.4036 8.4036 9.0660 9.0660 9.4703 9.4703 9.5544 9.5544 9.8731 9.8731 9.9321 9.9321 10.1724 10.1724 10.4800 10.4800 11.0603 11.0603 11.1717 11.1717 11.2400 11.2400 11.4261 11.4261 11.4329 11.4329 12.3969 12.3969 12.4076 12.4076 12.4293 12.4293 12.4749 12.4749 12.5019 12.5019 12.8163 12.8163 12.8623 12.8623 14.7637 14.7638 k = 0.5000 0.5000 0.0238 ( 2864 PWs) bands (ev): -71.9689 -71.9689 -40.7580 -40.7580 -36.2764 -36.2764 -36.2736 -36.2736 8.4027 8.4027 9.0664 9.0664 9.4481 9.4481 9.5254 9.5254 9.9000 9.9000 9.9639 9.9639 10.1690 10.1690 10.4786 10.4786 11.0611 11.0611 11.1760 11.1760 11.2464 11.2464 11.4272 11.4272 11.4341 11.4341 12.3734 12.3734 12.3757 12.3757 12.4236 12.4236 12.5077 12.5077 12.5255 12.5255 12.8188 12.8188 12.8693 12.8693 14.7617 14.7617 k = 0.5000 0.5000 0.0357 ( 2864 PWs) bands (ev): -71.9689 -71.9689 -40.7580 -40.7580 -36.2764 -36.2764 -36.2736 -36.2736 8.4012 8.4012 9.0666 9.0666 9.4170 9.4170 9.4850 9.4850 9.9390 9.9390 10.0089 10.0089 10.1640 10.1640 10.4765 10.4765 11.0625 11.0625 11.1833 11.1833 11.2570 11.2570 11.4289 11.4289 11.4361 11.4361 12.3439 12.3439 12.3463 12.3463 12.4133 12.4133 12.5409 12.5409 12.5539 12.5539 12.8228 12.8228 12.8806 12.8806 14.7583 14.7583 k = 0.5000 0.5000 0.0476 ( 2872 PWs) bands (ev): -71.9689 -71.9689 -40.7580 -40.7580 -36.2764 -36.2764 -36.2736 -36.2736 8.3990 8.3990 9.0660 9.0660 9.3820 9.3820 9.4381 9.4381 9.9846 9.9846 10.0617 10.0617 10.1584 10.1584 10.4737 10.4737 11.0645 11.0645 11.1933 11.1933 11.2715 11.2715 11.4314 11.4314 11.4389 11.4389 12.3126 12.3126 12.3182 12.3182 12.3994 12.3994 12.5743 12.5743 12.5843 12.5843 12.8284 12.8284 12.8954 12.8954 14.7535 14.7536 k = 0.5000 0.5000 0.0595 ( 2880 PWs) bands (ev): -71.9689 -71.9689 -40.7580 -40.7580 -36.2764 -36.2764 -36.2737 -36.2737 8.3963 8.3963 9.0634 9.0634 9.3470 9.3470 9.3881 9.3881 10.0307 10.0307 10.1191 10.1191 10.1560 10.1560 10.4705 10.4705 11.0672 11.0672 11.2060 11.2060 11.2898 11.2898 11.4346 11.4346 11.4425 11.4425 12.2817 12.2817 12.2900 12.2900 12.3826 12.3826 12.6077 12.6077 12.6155 12.6155 12.8355 12.8355 12.9132 12.9132 14.7474 14.7474 k = 0.5000 0.5000 0.0714 ( 2880 PWs) bands (ev): -71.9689 -71.9689 -40.7580 -40.7580 -36.2764 -36.2764 -36.2737 -36.2737 8.3930 8.3930 9.0570 9.0570 9.3156 9.3156 9.3366 9.3366 10.0654 10.0654 10.1670 10.1670 10.1787 10.1787 10.4677 10.4677 11.0707 11.0707 11.2213 11.2213 11.3116 11.3116 11.4384 11.4384 11.4469 11.4469 12.2515 12.2515 12.2621 12.2621 12.3637 12.3637 12.6411 12.6411 12.6473 12.6473 12.8441 12.8441 12.9333 12.9333 14.7397 14.7397 k = 0.5000 0.5000 0.0833 ( 2868 PWs) bands (ev): -71.9689 -71.9689 -40.7580 -40.7580 -36.2764 -36.2764 -36.2737 -36.2737 8.3892 8.3892 9.0449 9.0449 9.2847 9.2847 9.2909 9.2909 10.0754 10.0754 10.2041 10.2041 10.2384 10.2384 10.4664 10.4664 11.0748 11.0748 11.2392 11.2392 11.3365 11.3365 11.4429 11.4429 11.4520 11.4520 12.2220 12.2220 12.2348 12.2348 12.3431 12.3431 12.6745 12.6745 12.6793 12.6793 12.8541 12.8541 12.9552 12.9552 14.7307 14.7307 k = 0.5000 0.5000 0.0952 ( 2884 PWs) bands (ev): -71.9689 -71.9689 -40.7580 -40.7580 -36.2764 -36.2764 -36.2738 -36.2738 8.3847 8.3847 9.0253 9.0253 9.2328 9.2328 9.2749 9.2749 10.0684 10.0684 10.2588 10.2588 10.2943 10.2943 10.4695 10.4695 11.0797 11.0797 11.2597 11.2597 11.3644 11.3644 11.4481 11.4481 11.4579 11.4579 12.1933 12.1933 12.2082 12.2082 12.3214 12.3214 12.7077 12.7077 12.7113 12.7113 12.8655 12.8655 12.9785 12.9785 14.7200 14.7200 k = 0.5000 0.5000 0.1071 ( 2880 PWs) bands (ev): -71.9689 -71.9689 -40.7580 -40.7580 -36.2764 -36.2764 -36.2738 -36.2738 8.3799 8.3799 8.9983 8.9983 9.1814 9.1814 9.2681 9.2681 10.0548 10.0548 10.3207 10.3207 10.3395 10.3395 10.4840 10.4840 11.0853 11.0853 11.2826 11.2826 11.3949 11.3949 11.4540 11.4540 11.4646 11.4646 12.1655 12.1655 12.1826 12.1826 12.2988 12.2988 12.7408 12.7408 12.7433 12.7433 12.8780 12.8780 13.0028 13.0028 14.7079 14.7079 k = 0.5000 0.5000 0.1190 ( 2880 PWs) bands (ev): -71.9689 -71.9689 -40.7580 -40.7580 -36.2763 -36.2763 -36.2739 -36.2739 8.3746 8.3746 8.9654 8.9654 9.1308 9.1308 9.2693 9.2693 10.0384 10.0384 10.3650 10.3650 10.3859 10.3859 10.5186 10.5186 11.0916 11.0916 11.3079 11.3079 11.4276 11.4276 11.4608 11.4608 11.4721 11.4721 12.1386 12.1386 12.1579 12.1579 12.2756 12.2756 12.7736 12.7736 12.7752 12.7752 12.8917 12.8917 13.0278 13.0278 14.6942 14.6942 k = 0.5000 0.5000 0.1310 ( 2888 PWs) bands (ev): -71.9689 -71.9689 -40.7580 -40.7580 -36.2763 -36.2763 -36.2739 -36.2739 8.3688 8.3688 8.9284 8.9284 9.0811 9.0811 9.2764 9.2764 10.0206 10.0206 10.3724 10.3724 10.4529 10.4529 10.5712 10.5712 11.0986 11.0986 11.3356 11.3356 11.4601 11.4601 11.4707 11.4707 11.4803 11.4803 12.1129 12.1129 12.1344 12.1344 12.2522 12.2522 12.8061 12.8061 12.8068 12.8068 12.9065 12.9065 13.0533 13.0533 14.6789 14.6789 k = 0.5000 0.5000 0.1429 ( 2880 PWs) bands (ev): -71.9689 -71.9689 -40.7580 -40.7580 -36.2763 -36.2763 -36.2740 -36.2740 8.3627 8.3627 8.8891 8.8891 9.0324 9.0324 9.2880 9.2880 10.0022 10.0022 10.3701 10.3701 10.5210 10.5210 10.6334 10.6334 11.1063 11.1063 11.3657 11.3657 11.4741 11.4741 11.4894 11.4894 11.5018 11.5018 12.0884 12.0884 12.1123 12.1123 12.2287 12.2287 12.8382 12.8382 12.8382 12.8382 12.9222 12.9222 13.0790 13.0790 14.6618 14.6618 k = 0.5000 0.5000 0.1548 ( 2880 PWs) bands (ev): -71.9689 -71.9689 -40.7581 -40.7581 -36.2763 -36.2763 -36.2741 -36.2741 8.3562 8.3562 8.8487 8.8487 8.9850 8.9850 9.3026 9.3026 9.9836 9.9836 10.3633 10.3633 10.5896 10.5896 10.6997 10.6997 11.1144 11.1144 11.3979 11.3979 11.4832 11.4832 11.4994 11.4994 11.5404 11.5404 12.0653 12.0653 12.0916 12.0916 12.2052 12.2052 12.8692 12.8692 12.8699 12.8699 12.9387 12.9387 13.1049 13.1049 14.6430 14.6430 k = 0.5000 0.5000 0.1667 ( 2868 PWs) bands (ev): -71.9689 -71.9689 -40.7581 -40.7581 -36.2763 -36.2763 -36.2741 -36.2741 8.3493 8.3493 8.8079 8.8079 8.9388 8.9388 9.3196 9.3196 9.9653 9.9653 10.3541 10.3541 10.6583 10.6583 10.7677 10.7677 11.1232 11.1232 11.4321 11.4321 11.4929 11.4929 11.5107 11.5107 11.5810 11.5810 12.0439 12.0439 12.0726 12.0726 12.1819 12.1819 12.8998 12.8998 12.9012 12.9012 12.9560 12.9560 13.1307 13.1307 14.6224 14.6224 k = 0.5000 0.5000 0.1786 ( 2876 PWs) bands (ev): -71.9689 -71.9689 -40.7581 -40.7581 -36.2762 -36.2762 -36.2742 -36.2742 8.3421 8.3421 8.7672 8.7672 8.8939 8.8939 9.3379 9.3379 9.9477 9.9477 10.3434 10.3434 10.7265 10.7265 10.8359 10.8359 11.1325 11.1325 11.4678 11.4678 11.5034 11.5034 11.5238 11.5238 11.6232 11.6232 12.0242 12.0242 12.0554 12.0554 12.1589 12.1589 12.9298 12.9298 12.9318 12.9318 12.9739 12.9739 13.1564 13.1564 14.5999 14.5999 k = 0.5000 0.5000 0.1905 ( 2884 PWs) bands (ev): -71.9689 -71.9689 -40.7581 -40.7581 -36.2762 -36.2762 -36.2743 -36.2743 8.3347 8.3347 8.7271 8.7271 8.8504 8.8504 9.3572 9.3572 9.9310 9.9310 10.3318 10.3318 10.7938 10.7938 10.9035 10.9035 11.1424 11.1424 11.5030 11.5030 11.5151 11.5151 11.5407 11.5407 11.6667 11.6667 12.0067 12.0067 12.0404 12.0404 12.1364 12.1364 12.9594 12.9594 12.9618 12.9618 12.9924 12.9924 13.1818 13.1818 14.5754 14.5754 k = 0.5000 0.5000 0.2024 ( 2884 PWs) bands (ev): -71.9689 -71.9689 -40.7581 -40.7581 -36.2762 -36.2762 -36.2743 -36.2743 8.3270 8.3270 8.6877 8.6877 8.8083 8.8083 9.3768 9.3768 9.9157 9.9157 10.3197 10.3197 10.8594 10.8594 10.9693 10.9693 11.1530 11.1530 11.5282 11.5282 11.5322 11.5322 11.5672 11.5672 11.7114 11.7114 11.9917 11.9917 12.0279 12.0279 12.1144 12.1144 12.9884 12.9884 12.9909 12.9909 13.0115 13.0115 13.2068 13.2068 14.5489 14.5489 k = 0.5000 0.5000 0.2143 ( 2888 PWs) bands (ev): -71.9689 -71.9689 -40.7581 -40.7581 -36.2762 -36.2762 -36.2744 -36.2744 8.3192 8.3192 8.6493 8.6493 8.7677 8.7677 9.3961 9.3961 9.9022 9.9022 10.3072 10.3072 10.9227 10.9227 11.0319 11.0319 11.1648 11.1648 11.5431 11.5431 11.5534 11.5534 11.6054 11.6054 11.7571 11.7571 11.9797 11.9797 12.0183 12.0183 12.0930 12.0930 13.0167 13.0167 13.0188 13.0188 13.0315 13.0315 13.2315 13.2315 14.5203 14.5203 k = 0.5000 0.5000 0.2262 ( 2880 PWs) bands (ev): -71.9689 -71.9689 -40.7581 -40.7581 -36.2761 -36.2761 -36.2745 -36.2745 8.3113 8.3113 8.6120 8.6120 8.7286 8.7286 9.4148 9.4148 9.8909 9.8909 10.2945 10.2945 10.9828 10.9828 11.0889 11.0889 11.1789 11.1789 11.5600 11.5600 11.5725 11.5725 11.6496 11.6496 11.8032 11.8032 11.9713 11.9713 12.0124 12.0124 12.0725 12.0725 13.0439 13.0439 13.0444 13.0444 13.0536 13.0536 13.2556 13.2556 14.4896 14.4896 k = 0.5000 0.5000 0.2381 ( 2888 PWs) bands (ev): -71.9689 -71.9689 -40.7582 -40.7582 -36.2761 -36.2761 -36.2746 -36.2746 8.3032 8.3032 8.5758 8.5758 8.6911 8.6911 9.4321 9.4321 9.8822 9.8822 10.2816 10.2816 11.0386 11.0386 11.1353 11.1353 11.1989 11.1989 11.5794 11.5794 11.5923 11.5923 11.6972 11.6972 11.8490 11.8490 11.9676 11.9676 12.0113 12.0113 12.0531 12.0531 13.0653 13.0653 13.0712 13.0712 13.0787 13.0787 13.2791 13.2791 14.4567 14.4567 k = 0.5000 0.5000 0.2500 ( 2888 PWs) bands (ev): -71.9689 -71.9689 -40.7582 -40.7582 -36.2761 -36.2761 -36.2747 -36.2747 8.2950 8.2950 8.5410 8.5410 8.6551 8.6551 9.4475 9.4475 9.8767 9.8767 10.2688 10.2688 11.0892 11.0892 11.1655 11.1655 11.2296 11.2296 11.6013 11.6013 11.6135 11.6135 11.7473 11.7473 11.8927 11.8927 11.9697 11.9697 12.0171 12.0171 12.0353 12.0353 13.0852 13.0852 13.0973 13.0973 13.1044 13.1044 13.3020 13.3020 14.4215 14.4215 k = 0.5000 0.5000 0.2619 ( 2888 PWs) bands (ev): -71.9689 -71.9689 -40.7582 -40.7582 -36.2760 -36.2760 -36.2747 -36.2747 8.2868 8.2868 8.5075 8.5075 8.6208 8.6208 9.4605 9.4605 9.8745 9.8745 10.2561 10.2561 11.1337 11.1337 11.1833 11.1833 11.2656 11.2656 11.6255 11.6255 11.6356 11.6356 11.7997 11.7997 11.9302 11.9302 11.9792 11.9792 12.0207 12.0207 12.0333 12.0333 13.1045 13.1045 13.1225 13.1225 13.1297 13.1297 13.3242 13.3242 14.3841 14.3841 k = 0.5000 0.5000 0.2738 ( 2904 PWs) bands (ev): -71.9689 -71.9689 -40.7582 -40.7582 -36.2760 -36.2760 -36.2748 -36.2748 8.2786 8.2786 8.4752 8.4752 8.5881 8.5881 9.4707 9.4707 9.8760 9.8760 10.2435 10.2435 11.1715 11.1715 11.1963 11.1963 11.2989 11.2989 11.6512 11.6512 11.6574 11.6574 11.8542 11.8542 11.9537 11.9537 11.9977 11.9977 12.0149 12.0149 12.0634 12.0634 13.1234 13.1234 13.1467 13.1467 13.1542 13.1542 13.3457 13.3457 14.3443 14.3443 k = 0.5000 0.5000 0.2857 ( 2904 PWs) bands (ev): -71.9689 -71.9689 -40.7582 -40.7582 -36.2760 -36.2760 -36.2749 -36.2749 8.2704 8.2704 8.4446 8.4446 8.5572 8.5572 9.4780 9.4780 9.8812 9.8812 10.2312 10.2312 11.2028 11.2028 11.2073 11.2073 11.3268 11.3268 11.6770 11.6770 11.6776 11.6776 11.9107 11.9107 11.9566 11.9566 12.0267 12.0267 12.0273 12.0273 12.1061 12.1061 13.1418 13.1418 13.1700 13.1700 13.1778 13.1778 13.3663 13.3663 14.3021 14.3022 k = 0.5000 0.5000 0.2976 ( 2904 PWs) bands (ev): -71.9689 -71.9689 -40.7582 -40.7582 -36.2760 -36.2760 -36.2750 -36.2750 8.2622 8.2622 8.4154 8.4154 8.5280 8.5280 9.4823 9.4823 9.8900 9.8900 10.2193 10.2193 11.2173 11.2173 11.2277 11.2277 11.3488 11.3488 11.6948 11.6948 11.7011 11.7011 11.9472 11.9472 11.9690 11.9690 12.0556 12.0556 12.0666 12.0666 12.1565 12.1565 13.1598 13.1598 13.1923 13.1923 13.2004 13.2004 13.3861 13.3861 14.2577 14.2577 k = 0.5000 0.5000 0.3095 ( 2892 PWs) bands (ev): -71.9689 -71.9689 -40.7583 -40.7583 -36.2759 -36.2759 -36.2750 -36.2750 8.2542 8.2542 8.3878 8.3878 8.5006 8.5006 9.4840 9.4840 9.9019 9.9019 10.2078 10.2078 11.2265 11.2265 11.2471 11.2471 11.3656 11.3656 11.7087 11.7087 11.7222 11.7222 11.9346 11.9346 12.0292 12.0292 12.0947 12.0947 12.1166 12.1166 12.2114 12.2114 13.1772 13.1772 13.2135 13.2135 13.2219 13.2219 13.4049 13.4049 14.2109 14.2109 k = 0.5000 0.5000 0.3214 ( 2892 PWs) bands (ev): -71.9689 -71.9689 -40.7583 -40.7583 -36.2759 -36.2759 -36.2751 -36.2751 8.2462 8.2462 8.3617 8.3617 8.4749 8.4749 9.4833 9.4833 9.9163 9.9163 10.1967 10.1967 11.2350 11.2350 11.2617 11.2617 11.3781 11.3781 11.7197 11.7197 11.7395 11.7395 11.9216 11.9216 12.0910 12.0910 12.1428 12.1428 12.1753 12.1753 12.2693 12.2693 13.1940 13.1940 13.2336 13.2336 13.2424 13.2424 13.4229 13.4229 14.1617 14.1617 k = 0.5000 0.5000 0.3333 ( 2892 PWs) bands (ev): -71.9689 -71.9689 -40.7583 -40.7583 -36.2759 -36.2759 -36.2752 -36.2752 8.2383 8.2383 8.3372 8.3372 8.4511 8.4511 9.4808 9.4808 9.9326 9.9326 10.1861 10.1861 11.2430 11.2430 11.2725 11.2725 11.3871 11.3871 11.7284 11.7284 11.7531 11.7531 11.9092 11.9092 12.1545 12.1545 12.1986 12.1986 12.2408 12.2408 12.3297 12.3297 13.2101 13.2101 13.2526 13.2526 13.2617 13.2617 13.4398 13.4398 14.1103 14.1103 k = 0.5000 0.5000 0.3452 ( 2892 PWs) bands (ev): -71.9689 -71.9689 -40.7583 -40.7583 -36.2759 -36.2759 -36.2752 -36.2752 8.2306 8.2306 8.3142 8.3142 8.4291 8.4291 9.4769 9.4769 9.9503 9.9503 10.1759 10.1759 11.2502 11.2502 11.2802 11.2802 11.3935 11.3935 11.7355 11.7355 11.7635 11.7635 11.8977 11.8977 12.2194 12.2194 12.2607 12.2607 12.3116 12.3116 12.3922 12.3922 13.2253 13.2253 13.2703 13.2703 13.2797 13.2797 13.4557 13.4557 14.0566 14.0566 k = 0.5000 0.5000 0.3571 ( 2892 PWs) bands (ev): -71.9689 -71.9689 -40.7583 -40.7583 -36.2758 -36.2758 -36.2753 -36.2753 8.2230 8.2230 8.2929 8.2929 8.4089 8.4089 9.4720 9.4720 9.9686 9.9686 10.1664 10.1664 11.2569 11.2569 11.2855 11.2855 11.3979 11.3979 11.7414 11.7414 11.7713 11.7713 11.8873 11.8873 12.2857 12.2857 12.3276 12.3276 12.3863 12.3863 12.4567 12.4567 13.2398 13.2398 13.2867 13.2867 13.2965 13.2965 13.4706 13.4706 14.0009 14.0009 k = 0.5000 0.5000 0.3690 ( 2892 PWs) bands (ev): -71.9689 -71.9689 -40.7583 -40.7583 -36.2758 -36.2758 -36.2754 -36.2754 8.2157 8.2157 8.2733 8.2733 8.3905 8.3905 9.4666 9.4666 9.9872 9.9872 10.1575 10.1575 11.2628 11.2628 11.2890 11.2890 11.4008 11.4008 11.7467 11.7467 11.7769 11.7769 11.8783 11.8783 12.3532 12.3532 12.3979 12.3979 12.4638 12.4638 12.5233 12.5233 13.2533 13.2533 13.3018 13.3018 13.3120 13.3120 13.4843 13.4843 13.9431 13.9431 k = 0.5000 0.5000 0.3810 ( 2892 PWs) bands (ev): -71.9689 -71.9689 -40.7583 -40.7583 -36.2758 -36.2758 -36.2754 -36.2754 8.2087 8.2087 8.2553 8.2553 8.3740 8.3740 9.4609 9.4609 10.0055 10.0055 10.1493 10.1493 11.2681 11.2681 11.2911 11.2911 11.4026 11.4026 11.7514 11.7514 11.7806 11.7806 11.8706 11.8706 12.4218 12.4218 12.4705 12.4705 12.5433 12.5433 12.5917 12.5917 13.2658 13.2658 13.3154 13.3154 13.3261 13.3261 13.4969 13.4969 13.8834 13.8834 k = 0.5000 0.5000 0.3929 ( 2892 PWs) bands (ev): -71.9689 -71.9689 -40.7583 -40.7583 -36.2758 -36.2758 -36.2755 -36.2755 8.2020 8.2020 8.2389 8.2389 8.3593 8.3593 9.4552 9.4552 10.0231 10.0231 10.1417 10.1417 11.2727 11.2727 11.2921 11.2921 11.4037 11.4037 11.7556 11.7556 11.7827 11.7827 11.8646 11.8646 12.4912 12.4912 12.5446 12.5446 12.6242 12.6242 12.6620 12.6620 13.2772 13.2772 13.3276 13.3276 13.3387 13.3387 13.5083 13.5083 13.8221 13.8221 k = 0.5000 0.5000 0.4048 ( 2892 PWs) bands (ev): -71.9689 -71.9689 -40.7583 -40.7583 -36.2758 -36.2758 -36.2755 -36.2755 8.1957 8.1957 8.2243 8.2243 8.3463 8.3463 9.4497 9.4497 10.0396 10.0396 10.1349 10.1349 11.2767 11.2767 11.2925 11.2925 11.4044 11.4044 11.7595 11.7595 11.7834 11.7834 11.8600 11.8600 12.5613 12.5613 12.6194 12.6194 12.7058 12.7058 12.7340 12.7340 13.2876 13.2876 13.3380 13.3380 13.3498 13.3498 13.5184 13.5184 13.7593 13.7593 k = 0.5000 0.5000 0.4167 ( 2884 PWs) bands (ev): -71.9689 -71.9689 -40.7583 -40.7583 -36.2757 -36.2757 -36.2756 -36.2756 8.1899 8.1899 8.2114 8.2114 8.3351 8.3351 9.4445 9.4445 10.0548 10.0548 10.1288 10.1288 11.2800 11.2800 11.2923 11.2923 11.4048 11.4048 11.7629 11.7629 11.7831 11.7831 11.8568 11.8568 12.6318 12.6318 12.6944 12.6944 12.7877 12.7877 12.8076 12.8076 13.2967 13.2967 13.3465 13.3465 13.3591 13.3591 13.5272 13.5272 13.6954 13.6954 k = 0.5000 0.5000 0.4286 ( 2876 PWs) bands (ev): -71.9689 -71.9689 -40.7584 -40.7584 -36.2757 -36.2757 -36.2756 -36.2756 8.1847 8.1847 8.2002 8.2002 8.3256 8.3256 9.4398 9.4398 10.0685 10.0685 10.1235 10.1235 11.2827 11.2827 11.2919 11.2919 11.4050 11.4050 11.7660 11.7660 11.7819 11.7819 11.8548 11.8548 12.7023 12.7023 12.7690 12.7690 12.8693 12.8693 12.8824 12.8824 13.3046 13.3046 13.3527 13.3527 13.3665 13.3665 13.5344 13.5344 13.6308 13.6308 k = 0.5000 0.5000 0.4405 ( 2880 PWs) bands (ev): -71.9689 -71.9689 -40.7584 -40.7584 -36.2757 -36.2757 -36.2756 -36.2756 8.1801 8.1801 8.1907 8.1907 8.3176 8.3176 9.4357 9.4357 10.0803 10.0803 10.1190 10.1190 11.2848 11.2848 11.2913 11.2913 11.4051 11.4051 11.7686 11.7686 11.7804 11.7804 11.8536 11.8536 12.7722 12.7722 12.8428 12.8428 12.9500 12.9500 12.9581 12.9581 13.3111 13.3111 13.3560 13.3560 13.3713 13.3713 13.5395 13.5395 13.5664 13.5664 k = 0.5000 0.5000 0.4524 ( 2872 PWs) bands (ev): -71.9689 -71.9689 -40.7584 -40.7584 -36.2757 -36.2757 -36.2756 -36.2756 8.1762 8.1762 8.1829 8.1829 8.3112 8.3112 9.4322 9.4322 10.0904 10.0904 10.1152 10.1152 11.2865 11.2865 11.2906 11.2906 11.4052 11.4052 11.7708 11.7708 11.7787 11.7787 11.8530 11.8530 12.8408 12.8408 12.9150 12.9150 13.0292 13.0292 13.0339 13.0339 13.3159 13.3159 13.3551 13.3551 13.3727 13.3727 13.5033 13.5033 13.5392 13.5392 k = 0.5000 0.5000 0.4643 ( 2872 PWs) bands (ev): -71.9689 -71.9689 -40.7584 -40.7584 -36.2757 -36.2757 -36.2757 -36.2757 8.1731 8.1731 8.1768 8.1768 8.3063 8.3063 9.4295 9.4295 10.0983 10.0983 10.1123 10.1123 11.2877 11.2877 11.2900 11.2900 11.4052 11.4052 11.7726 11.7726 11.7771 11.7771 11.8528 11.8528 12.9065 12.9065 12.9846 12.9846 13.1058 13.1058 13.1093 13.1093 13.3182 13.3182 13.3479 13.3479 13.3681 13.3681 13.4449 13.4449 13.5115 13.5115 k = 0.5000 0.5000 0.4762 ( 2872 PWs) bands (ev): -71.9689 -71.9689 -40.7584 -40.7584 -36.2757 -36.2757 -36.2757 -36.2757 8.1708 8.1708 8.1725 8.1725 8.3028 8.3028 9.4275 9.4275 10.1039 10.1039 10.1102 10.1102 11.2885 11.2885 11.2895 11.2895 11.4053 11.4053 11.7739 11.7739 11.7759 11.7759 11.8528 11.8528 12.9662 12.9662 13.0491 13.0491 13.1782 13.1782 13.1828 13.1828 13.3156 13.3156 13.3319 13.3319 13.3530 13.3530 13.3987 13.3987 13.4568 13.4568 k = 0.5000 0.5000 0.4881 ( 2872 PWs) bands (ev): -71.9689 -71.9689 -40.7584 -40.7584 -36.2757 -36.2757 -36.2757 -36.2757 8.1694 8.1694 8.1698 8.1698 8.3007 8.3007 9.4262 9.4262 10.1074 10.1074 10.1090 10.1090 11.2890 11.2890 11.2892 11.2892 11.4053 11.4053 11.7746 11.7746 11.7751 11.7751 11.8528 11.8528 13.0124 13.0124 13.1016 13.1016 13.2432 13.2432 13.2516 13.2516 13.3017 13.3017 13.3090 13.3090 13.3298 13.3298 13.3711 13.3711 13.4004 13.4004 k = 0.5000 0.5000 0.5000 ( 2872 PWs) bands (ev): -71.9689 -71.9689 -40.7584 -40.7584 -36.2757 -36.2757 -36.2757 -36.2757 8.1690 8.1690 8.1690 8.1690 8.3000 8.3000 9.4258 9.4258 10.1085 10.1085 10.1085 10.1085 11.2891 11.2891 11.2891 11.2891 11.4053 11.4053 11.7749 11.7749 11.7749 11.7749 11.8528 11.8528 13.0311 13.0311 13.1246 13.1246 13.2897 13.2897 13.2897 13.2897 13.2916 13.2916 13.3016 13.3016 13.3016 13.3016 13.3611 13.3611 13.3611 13.3611 Writing output data file Fe3Pd.save init_run : 0.29s CPU 0.48s WALL ( 1 calls) electrons : 107.79s CPU 109.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 107.78s CPU 109.89s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.09s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.04s WALL ( 322 calls) cegterg : 97.42s CPU 98.94s WALL ( 406 calls) Called by sum_band: Called by *egterg: h_psi : 47.02s CPU 48.29s WALL ( 6188 calls) s_psi : 4.77s CPU 4.74s WALL ( 6188 calls) g_psi : 0.20s CPU 0.18s WALL ( 5460 calls) cdiaghg : 41.51s CPU 41.84s WALL ( 5782 calls) cegterg:over : 4.36s CPU 4.34s WALL ( 5460 calls) cegterg:upda : 2.90s CPU 3.09s WALL ( 5460 calls) cegterg:last : 1.98s CPU 2.06s WALL ( 1194 calls) cdiaghg:chol : 2.35s CPU 2.33s WALL ( 5782 calls) cdiaghg:inve : 1.53s CPU 1.59s WALL ( 5782 calls) cdiaghg:para : 2.57s CPU 2.51s WALL ( 11564 calls) Called by h_psi: h_psi:vloc : 37.35s CPU 38.21s WALL ( 6188 calls) h_psi:vnl : 9.50s CPU 9.92s WALL ( 6188 calls) add_vuspsi : 5.11s CPU 5.40s WALL ( 6188 calls) General routines calbec : 4.38s CPU 4.50s WALL ( 6188 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 34.01s CPU 34.81s WALL ( 786324 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.18s WALL ( 644 calls) Parallel routines fft_scatter : 17.33s CPU 17.50s WALL ( 786347 calls) PWSCF : 2m 0.70s CPU 2m12.47s WALL This run was terminated on: 18:15:54 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=