Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:13:10 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: ./Fe3Ge.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 24 18 5 538 363 61 Max 26 19 6 540 375 68 Sum 877 673 213 19381 13205 2325 bravais-lattice index = 14 lattice parameter (alat) = 6.7841 a.u. unit-cell volume = 312.2338 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.784116 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 Ge read from file: /users/gautes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 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 atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) Fe 8.00 55.84500 Fe( 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= 338 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0000000 0.0113636 -0.0000000), wk = 0.0029586 k( 3) = ( 0.0000000 0.0227273 -0.0000000), wk = 0.0029586 k( 4) = ( 0.0000000 0.0340909 -0.0000000), wk = 0.0029586 k( 5) = ( 0.0000000 0.0454546 -0.0000000), wk = 0.0029586 k( 6) = ( 0.0000000 0.0568182 -0.0000000), wk = 0.0029586 k( 7) = ( 0.0000000 0.0681818 -0.0000000), wk = 0.0029586 k( 8) = ( 0.0000000 0.0795455 -0.0000000), wk = 0.0029586 k( 9) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0029586 k( 10) = ( 0.0000000 0.1022727 -0.0000000), wk = 0.0029586 k( 11) = ( 0.0000000 0.1136364 -0.0000000), wk = 0.0029586 k( 12) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0029586 k( 13) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0029586 k( 14) = ( 0.0000000 0.1477273 -0.0000000), wk = 0.0029586 k( 15) = ( 0.0000000 0.1590909 -0.0000000), wk = 0.0029586 k( 16) = ( 0.0000000 0.1704546 -0.0000000), wk = 0.0029586 k( 17) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0029586 k( 18) = ( 0.0000000 0.1931818 -0.0000000), wk = 0.0029586 k( 19) = ( 0.0000000 0.2045454 -0.0000000), wk = 0.0029586 k( 20) = ( 0.0000000 0.2159091 -0.0000000), wk = 0.0029586 k( 21) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0029586 k( 22) = ( 0.0000000 0.2386364 -0.0000000), wk = 0.0029586 k( 23) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0029586 k( 24) = ( 0.0000000 0.2613636 -0.0000000), wk = 0.0029586 k( 25) = ( 0.0000000 0.2727273 -0.0000000), wk = 0.0029586 k( 26) = ( 0.0000000 0.2840909 -0.0000000), wk = 0.0029586 k( 27) = ( 0.0000000 0.2954545 -0.0000000), wk = 0.0029586 k( 28) = ( 0.0000000 0.3068182 -0.0000000), wk = 0.0029586 k( 29) = ( 0.0000000 0.3181818 -0.0000000), wk = 0.0029586 k( 30) = ( 0.0000000 0.3295455 -0.0000000), wk = 0.0029586 k( 31) = ( 0.0000000 0.3409091 -0.0000000), wk = 0.0029586 k( 32) = ( 0.0000000 0.3522727 -0.0000000), wk = 0.0029586 k( 33) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0029586 k( 34) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0029586 k( 35) = ( 0.0000000 0.3863636 -0.0000000), wk = 0.0029586 k( 36) = ( 0.0000000 0.3977273 -0.0000000), wk = 0.0029586 k( 37) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0029586 k( 38) = ( 0.0000000 0.4204545 -0.0000000), wk = 0.0029586 k( 39) = ( 0.0000000 0.4318182 -0.0000000), wk = 0.0029586 k( 40) = ( 0.0000000 0.4431818 -0.0000000), wk = 0.0029586 k( 41) = ( 0.0000000 0.4545455 -0.0000000), wk = 0.0029586 k( 42) = ( 0.0000000 0.4659091 -0.0000000), wk = 0.0029586 k( 43) = ( 0.0000000 0.4772727 -0.0000000), wk = 0.0029586 k( 44) = ( 0.0000000 0.4886364 -0.0000000), wk = 0.0029586 k( 45) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029586 k( 46) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029586 k( 47) = ( 0.0113636 0.5000000 -0.0000000), wk = 0.0029586 k( 48) = ( 0.0227273 0.5000000 -0.0000000), wk = 0.0029586 k( 49) = ( 0.0340909 0.5000000 -0.0000000), wk = 0.0029586 k( 50) = ( 0.0454546 0.5000000 -0.0000000), wk = 0.0029586 k( 51) = ( 0.0568182 0.5000000 -0.0000000), wk = 0.0029586 k( 52) = ( 0.0681818 0.5000000 -0.0000000), wk = 0.0029586 k( 53) = ( 0.0795455 0.5000000 -0.0000000), wk = 0.0029586 k( 54) = ( 0.0909091 0.5000000 -0.0000000), wk = 0.0029586 k( 55) = ( 0.1022727 0.5000000 -0.0000000), wk = 0.0029586 k( 56) = ( 0.1136364 0.5000000 -0.0000000), wk = 0.0029586 k( 57) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0029586 k( 58) = ( 0.1363636 0.5000000 -0.0000000), wk = 0.0029586 k( 59) = ( 0.1477273 0.5000000 -0.0000000), wk = 0.0029586 k( 60) = ( 0.1590909 0.5000000 -0.0000000), wk = 0.0029586 k( 61) = ( 0.1704546 0.5000000 -0.0000000), wk = 0.0029586 k( 62) = ( 0.1818182 0.5000000 -0.0000000), wk = 0.0029586 k( 63) = ( 0.1931818 0.5000000 -0.0000000), wk = 0.0029586 k( 64) = ( 0.2045454 0.5000000 -0.0000000), wk = 0.0029586 k( 65) = ( 0.2159091 0.5000000 -0.0000000), wk = 0.0029586 k( 66) = ( 0.2272727 0.5000000 -0.0000000), wk = 0.0029586 k( 67) = ( 0.2386364 0.5000000 -0.0000000), wk = 0.0029586 k( 68) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0029586 k( 69) = ( 0.2613636 0.5000000 -0.0000000), wk = 0.0029586 k( 70) = ( 0.2727273 0.5000000 -0.0000000), wk = 0.0029586 k( 71) = ( 0.2840909 0.5000000 -0.0000000), wk = 0.0029586 k( 72) = ( 0.2954545 0.5000000 -0.0000000), wk = 0.0029586 k( 73) = ( 0.3068182 0.5000000 -0.0000000), wk = 0.0029586 k( 74) = ( 0.3181818 0.5000000 -0.0000000), wk = 0.0029586 k( 75) = ( 0.3295455 0.5000000 -0.0000000), wk = 0.0029586 k( 76) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0029586 k( 77) = ( 0.3522727 0.5000000 -0.0000000), wk = 0.0029586 k( 78) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0029586 k( 79) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0029586 k( 80) = ( 0.3863636 0.5000000 -0.0000000), wk = 0.0029586 k( 81) = ( 0.3977273 0.5000000 -0.0000000), wk = 0.0029586 k( 82) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0029586 k( 83) = ( 0.4204545 0.5000000 -0.0000000), wk = 0.0029586 k( 84) = ( 0.4318182 0.5000000 -0.0000000), wk = 0.0029586 k( 85) = ( 0.4431818 0.5000000 -0.0000000), wk = 0.0029586 k( 86) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0029586 k( 87) = ( 0.4659091 0.5000000 -0.0000000), wk = 0.0029586 k( 88) = ( 0.4772727 0.5000000 -0.0000000), wk = 0.0029586 k( 89) = ( 0.4886364 0.5000000 -0.0000000), wk = 0.0029586 k( 90) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029586 k( 91) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029586 k( 92) = ( 0.4919355 0.4919355 -0.0000000), wk = 0.0029586 k( 93) = ( 0.4838710 0.4838710 -0.0000000), wk = 0.0029586 k( 94) = ( 0.4758064 0.4758064 -0.0000000), wk = 0.0029586 k( 95) = ( 0.4677419 0.4677419 -0.0000000), wk = 0.0029586 k( 96) = ( 0.4596774 0.4596774 -0.0000000), wk = 0.0029586 k( 97) = ( 0.4516129 0.4516129 -0.0000000), wk = 0.0029586 k( 98) = ( 0.4435484 0.4435484 -0.0000000), wk = 0.0029586 k( 99) = ( 0.4354839 0.4354839 -0.0000000), wk = 0.0029586 k( 100) = ( 0.4274193 0.4274193 -0.0000000), wk = 0.0029586 k( 101) = ( 0.4193548 0.4193548 -0.0000000), wk = 0.0029586 k( 102) = ( 0.4112903 0.4112903 -0.0000000), wk = 0.0029586 k( 103) = ( 0.4032258 0.4032258 -0.0000000), wk = 0.0029586 k( 104) = ( 0.3951613 0.3951613 -0.0000000), wk = 0.0029586 k( 105) = ( 0.3870968 0.3870968 -0.0000000), wk = 0.0029586 k( 106) = ( 0.3790323 0.3790323 -0.0000000), wk = 0.0029586 k( 107) = ( 0.3709677 0.3709677 -0.0000000), wk = 0.0029586 k( 108) = ( 0.3629032 0.3629032 -0.0000000), wk = 0.0029586 k( 109) = ( 0.3548387 0.3548387 -0.0000000), wk = 0.0029586 k( 110) = ( 0.3467742 0.3467742 -0.0000000), wk = 0.0029586 k( 111) = ( 0.3387097 0.3387097 -0.0000000), wk = 0.0029586 k( 112) = ( 0.3306452 0.3306452 -0.0000000), wk = 0.0029586 k( 113) = ( 0.3225807 0.3225806 -0.0000000), wk = 0.0029586 k( 114) = ( 0.3145161 0.3145161 -0.0000000), wk = 0.0029586 k( 115) = ( 0.3064516 0.3064516 -0.0000000), wk = 0.0029586 k( 116) = ( 0.2983871 0.2983871 -0.0000000), wk = 0.0029586 k( 117) = ( 0.2903226 0.2903226 -0.0000000), wk = 0.0029586 k( 118) = ( 0.2822581 0.2822581 -0.0000000), wk = 0.0029586 k( 119) = ( 0.2741936 0.2741936 -0.0000000), wk = 0.0029586 k( 120) = ( 0.2661290 0.2661290 -0.0000000), wk = 0.0029586 k( 121) = ( 0.2580645 0.2580645 -0.0000000), wk = 0.0029586 k( 122) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0029586 k( 123) = ( 0.2419355 0.2419355 -0.0000000), wk = 0.0029586 k( 124) = ( 0.2338710 0.2338710 -0.0000000), wk = 0.0029586 k( 125) = ( 0.2258064 0.2258064 -0.0000000), wk = 0.0029586 k( 126) = ( 0.2177419 0.2177419 -0.0000000), wk = 0.0029586 k( 127) = ( 0.2096774 0.2096774 -0.0000000), wk = 0.0029586 k( 128) = ( 0.2016129 0.2016129 -0.0000000), wk = 0.0029586 k( 129) = ( 0.1935484 0.1935484 -0.0000000), wk = 0.0029586 k( 130) = ( 0.1854839 0.1854839 -0.0000000), wk = 0.0029586 k( 131) = ( 0.1774194 0.1774193 -0.0000000), wk = 0.0029586 k( 132) = ( 0.1693548 0.1693548 -0.0000000), wk = 0.0029586 k( 133) = ( 0.1612903 0.1612903 -0.0000000), wk = 0.0029586 k( 134) = ( 0.1532258 0.1532258 -0.0000000), wk = 0.0029586 k( 135) = ( 0.1451613 0.1451613 -0.0000000), wk = 0.0029586 k( 136) = ( 0.1370968 0.1370968 -0.0000000), wk = 0.0029586 k( 137) = ( 0.1290323 0.1290323 -0.0000000), wk = 0.0029586 k( 138) = ( 0.1209677 0.1209677 -0.0000000), wk = 0.0029586 k( 139) = ( 0.1129032 0.1129032 -0.0000000), wk = 0.0029586 k( 140) = ( 0.1048387 0.1048387 -0.0000000), wk = 0.0029586 k( 141) = ( 0.0967742 0.0967742 -0.0000000), wk = 0.0029586 k( 142) = ( 0.0887097 0.0887097 -0.0000000), wk = 0.0029586 k( 143) = ( 0.0806452 0.0806452 -0.0000000), wk = 0.0029586 k( 144) = ( 0.0725806 0.0725806 -0.0000000), wk = 0.0029586 k( 145) = ( 0.0645161 0.0645161 -0.0000000), wk = 0.0029586 k( 146) = ( 0.0564516 0.0564516 -0.0000000), wk = 0.0029586 k( 147) = ( 0.0483871 0.0483871 -0.0000000), wk = 0.0029586 k( 148) = ( 0.0403226 0.0403226 -0.0000000), wk = 0.0029586 k( 149) = ( 0.0322581 0.0322581 -0.0000000), wk = 0.0029586 k( 150) = ( 0.0241936 0.0241935 -0.0000000), wk = 0.0029586 k( 151) = ( 0.0161290 0.0161290 -0.0000000), wk = 0.0029586 k( 152) = ( 0.0080645 0.0080645 -0.0000000), wk = 0.0029586 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 155) = ( 0.0065790 0.0065789 0.0065789), wk = 0.0029586 k( 156) = ( 0.0131579 0.0131579 0.0131579), wk = 0.0029586 k( 157) = ( 0.0197368 0.0197368 0.0197368), wk = 0.0029586 k( 158) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0029586 k( 159) = ( 0.0328947 0.0328947 0.0328947), wk = 0.0029586 k( 160) = ( 0.0394737 0.0394737 0.0394737), wk = 0.0029586 k( 161) = ( 0.0460526 0.0460526 0.0460526), wk = 0.0029586 k( 162) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0029586 k( 163) = ( 0.0592105 0.0592105 0.0592105), wk = 0.0029586 k( 164) = ( 0.0657895 0.0657895 0.0657895), wk = 0.0029586 k( 165) = ( 0.0723684 0.0723684 0.0723684), wk = 0.0029586 k( 166) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0029586 k( 167) = ( 0.0855263 0.0855263 0.0855263), wk = 0.0029586 k( 168) = ( 0.0921053 0.0921053 0.0921053), wk = 0.0029586 k( 169) = ( 0.0986842 0.0986842 0.0986842), wk = 0.0029586 k( 170) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0029586 k( 171) = ( 0.1118421 0.1118421 0.1118421), wk = 0.0029586 k( 172) = ( 0.1184210 0.1184210 0.1184210), wk = 0.0029586 k( 173) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0029586 k( 174) = ( 0.1315790 0.1315790 0.1315789), wk = 0.0029586 k( 175) = ( 0.1381579 0.1381579 0.1381579), wk = 0.0029586 k( 176) = ( 0.1447368 0.1447368 0.1447368), wk = 0.0029586 k( 177) = ( 0.1513158 0.1513158 0.1513158), wk = 0.0029586 k( 178) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0029586 k( 179) = ( 0.1644737 0.1644737 0.1644737), wk = 0.0029586 k( 180) = ( 0.1710526 0.1710526 0.1710526), wk = 0.0029586 k( 181) = ( 0.1776316 0.1776316 0.1776316), wk = 0.0029586 k( 182) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0029586 k( 183) = ( 0.1907895 0.1907895 0.1907895), wk = 0.0029586 k( 184) = ( 0.1973684 0.1973684 0.1973684), wk = 0.0029586 k( 185) = ( 0.2039474 0.2039474 0.2039474), wk = 0.0029586 k( 186) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0029586 k( 187) = ( 0.2171053 0.2171053 0.2171053), wk = 0.0029586 k( 188) = ( 0.2236842 0.2236842 0.2236842), wk = 0.0029586 k( 189) = ( 0.2302632 0.2302632 0.2302632), wk = 0.0029586 k( 190) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0029586 k( 191) = ( 0.2434210 0.2434210 0.2434210), wk = 0.0029586 k( 192) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029586 k( 193) = ( 0.2565789 0.2565789 0.2565789), wk = 0.0029586 k( 194) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0029586 k( 195) = ( 0.2697368 0.2697368 0.2697368), wk = 0.0029586 k( 196) = ( 0.2763158 0.2763158 0.2763158), wk = 0.0029586 k( 197) = ( 0.2828947 0.2828947 0.2828947), wk = 0.0029586 k( 198) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0029586 k( 199) = ( 0.2960526 0.2960526 0.2960526), wk = 0.0029586 k( 200) = ( 0.3026316 0.3026316 0.3026316), wk = 0.0029586 k( 201) = ( 0.3092105 0.3092105 0.3092105), wk = 0.0029586 k( 202) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0029586 k( 203) = ( 0.3223684 0.3223684 0.3223684), wk = 0.0029586 k( 204) = ( 0.3289474 0.3289474 0.3289474), wk = 0.0029586 k( 205) = ( 0.3355263 0.3355263 0.3355263), wk = 0.0029586 k( 206) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0029586 k( 207) = ( 0.3486842 0.3486842 0.3486842), wk = 0.0029586 k( 208) = ( 0.3552632 0.3552632 0.3552632), wk = 0.0029586 k( 209) = ( 0.3618421 0.3618421 0.3618421), wk = 0.0029586 k( 210) = ( 0.3684211 0.3684210 0.3684210), wk = 0.0029586 k( 211) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029586 k( 212) = ( 0.3815789 0.3815789 0.3815789), wk = 0.0029586 k( 213) = ( 0.3881579 0.3881579 0.3881579), wk = 0.0029586 k( 214) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0029586 k( 215) = ( 0.4013158 0.4013158 0.4013158), wk = 0.0029586 k( 216) = ( 0.4078947 0.4078947 0.4078947), wk = 0.0029586 k( 217) = ( 0.4144737 0.4144737 0.4144737), wk = 0.0029586 k( 218) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0029586 k( 219) = ( 0.4276316 0.4276316 0.4276316), wk = 0.0029586 k( 220) = ( 0.4342105 0.4342105 0.4342105), wk = 0.0029586 k( 221) = ( 0.4407895 0.4407895 0.4407895), wk = 0.0029586 k( 222) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0029586 k( 223) = ( 0.4539474 0.4539474 0.4539474), wk = 0.0029586 k( 224) = ( 0.4605263 0.4605263 0.4605263), wk = 0.0029586 k( 225) = ( 0.4671053 0.4671053 0.4671053), wk = 0.0029586 k( 226) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0029586 k( 227) = ( 0.4802632 0.4802632 0.4802632), wk = 0.0029586 k( 228) = ( 0.4868421 0.4868421 0.4868421), wk = 0.0029586 k( 229) = ( 0.4934211 0.4934210 0.4934210), wk = 0.0029586 k( 230) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 k( 231) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 k( 232) = ( 0.4919355 0.5000000 0.4919355), wk = 0.0029586 k( 233) = ( 0.4838710 0.5000000 0.4838710), wk = 0.0029586 k( 234) = ( 0.4758064 0.5000000 0.4758064), wk = 0.0029586 k( 235) = ( 0.4677419 0.5000000 0.4677419), wk = 0.0029586 k( 236) = ( 0.4596774 0.5000000 0.4596774), wk = 0.0029586 k( 237) = ( 0.4516129 0.5000000 0.4516129), wk = 0.0029586 k( 238) = ( 0.4435484 0.5000000 0.4435484), wk = 0.0029586 k( 239) = ( 0.4354839 0.5000000 0.4354839), wk = 0.0029586 k( 240) = ( 0.4274193 0.5000000 0.4274193), wk = 0.0029586 k( 241) = ( 0.4193548 0.5000000 0.4193548), wk = 0.0029586 k( 242) = ( 0.4112903 0.5000000 0.4112903), wk = 0.0029586 k( 243) = ( 0.4032258 0.5000000 0.4032258), wk = 0.0029586 k( 244) = ( 0.3951613 0.5000000 0.3951613), wk = 0.0029586 k( 245) = ( 0.3870968 0.5000000 0.3870968), wk = 0.0029586 k( 246) = ( 0.3790323 0.5000000 0.3790323), wk = 0.0029586 k( 247) = ( 0.3709677 0.5000000 0.3709677), wk = 0.0029586 k( 248) = ( 0.3629032 0.5000000 0.3629032), wk = 0.0029586 k( 249) = ( 0.3548387 0.5000000 0.3548387), wk = 0.0029586 k( 250) = ( 0.3467742 0.5000000 0.3467742), wk = 0.0029586 k( 251) = ( 0.3387097 0.5000000 0.3387097), wk = 0.0029586 k( 252) = ( 0.3306452 0.5000000 0.3306452), wk = 0.0029586 k( 253) = ( 0.3225807 0.5000000 0.3225806), wk = 0.0029586 k( 254) = ( 0.3145161 0.5000000 0.3145161), wk = 0.0029586 k( 255) = ( 0.3064516 0.5000000 0.3064516), wk = 0.0029586 k( 256) = ( 0.2983871 0.5000000 0.2983871), wk = 0.0029586 k( 257) = ( 0.2903226 0.5000000 0.2903226), wk = 0.0029586 k( 258) = ( 0.2822581 0.5000000 0.2822581), wk = 0.0029586 k( 259) = ( 0.2741936 0.5000000 0.2741935), wk = 0.0029586 k( 260) = ( 0.2661290 0.5000000 0.2661290), wk = 0.0029586 k( 261) = ( 0.2580645 0.5000000 0.2580645), wk = 0.0029586 k( 262) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0029586 k( 263) = ( 0.2419355 0.5000000 0.2419355), wk = 0.0029586 k( 264) = ( 0.2338710 0.5000000 0.2338710), wk = 0.0029586 k( 265) = ( 0.2258064 0.5000000 0.2258064), wk = 0.0029586 k( 266) = ( 0.2177419 0.5000000 0.2177419), wk = 0.0029586 k( 267) = ( 0.2096774 0.5000000 0.2096774), wk = 0.0029586 k( 268) = ( 0.2016129 0.5000000 0.2016129), wk = 0.0029586 k( 269) = ( 0.1935484 0.5000000 0.1935484), wk = 0.0029586 k( 270) = ( 0.1854839 0.5000000 0.1854839), wk = 0.0029586 k( 271) = ( 0.1774194 0.5000000 0.1774193), wk = 0.0029586 k( 272) = ( 0.1693548 0.5000000 0.1693548), wk = 0.0029586 k( 273) = ( 0.1612903 0.5000000 0.1612903), wk = 0.0029586 k( 274) = ( 0.1532258 0.5000000 0.1532258), wk = 0.0029586 k( 275) = ( 0.1451613 0.5000000 0.1451613), wk = 0.0029586 k( 276) = ( 0.1370968 0.5000000 0.1370968), wk = 0.0029586 k( 277) = ( 0.1290323 0.5000000 0.1290323), wk = 0.0029586 k( 278) = ( 0.1209677 0.5000000 0.1209677), wk = 0.0029586 k( 279) = ( 0.1129032 0.5000000 0.1129032), wk = 0.0029586 k( 280) = ( 0.1048387 0.5000000 0.1048387), wk = 0.0029586 k( 281) = ( 0.0967742 0.5000000 0.0967742), wk = 0.0029586 k( 282) = ( 0.0887097 0.5000000 0.0887097), wk = 0.0029586 k( 283) = ( 0.0806452 0.5000000 0.0806452), wk = 0.0029586 k( 284) = ( 0.0725806 0.5000000 0.0725806), wk = 0.0029586 k( 285) = ( 0.0645161 0.5000000 0.0645161), wk = 0.0029586 k( 286) = ( 0.0564516 0.5000000 0.0564516), wk = 0.0029586 k( 287) = ( 0.0483871 0.5000000 0.0483871), wk = 0.0029586 k( 288) = ( 0.0403226 0.5000000 0.0403226), wk = 0.0029586 k( 289) = ( 0.0322581 0.5000000 0.0322581), wk = 0.0029586 k( 290) = ( 0.0241936 0.5000000 0.0241935), wk = 0.0029586 k( 291) = ( 0.0161290 0.5000000 0.0161290), wk = 0.0029586 k( 292) = ( 0.0080645 0.5000000 0.0080645), wk = 0.0029586 k( 293) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029586 k( 294) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029586 k( 295) = ( 0.5000000 0.5000000 0.0113636), wk = 0.0029586 k( 296) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0029586 k( 297) = ( 0.5000000 0.5000000 0.0340909), wk = 0.0029586 k( 298) = ( 0.5000000 0.5000000 0.0454545), wk = 0.0029586 k( 299) = ( 0.5000000 0.5000000 0.0568182), wk = 0.0029586 k( 300) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0029586 k( 301) = ( 0.5000000 0.5000000 0.0795454), wk = 0.0029586 k( 302) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0029586 k( 303) = ( 0.5000000 0.5000000 0.1022727), wk = 0.0029586 k( 304) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0029586 k( 305) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0029586 k( 306) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0029586 k( 307) = ( 0.5000000 0.5000000 0.1477273), wk = 0.0029586 k( 308) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0029586 k( 309) = ( 0.5000000 0.5000000 0.1704545), wk = 0.0029586 k( 310) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0029586 k( 311) = ( 0.5000000 0.5000000 0.1931818), wk = 0.0029586 k( 312) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0029586 k( 313) = ( 0.5000000 0.5000000 0.2159091), wk = 0.0029586 k( 314) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0029586 k( 315) = ( 0.5000000 0.5000000 0.2386364), wk = 0.0029586 k( 316) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0029586 k( 317) = ( 0.5000000 0.5000000 0.2613636), wk = 0.0029586 k( 318) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0029586 k( 319) = ( 0.5000000 0.5000000 0.2840909), wk = 0.0029586 k( 320) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0029586 k( 321) = ( 0.5000000 0.5000000 0.3068182), wk = 0.0029586 k( 322) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0029586 k( 323) = ( 0.5000000 0.5000000 0.3295454), wk = 0.0029586 k( 324) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0029586 k( 325) = ( 0.5000000 0.5000000 0.3522727), wk = 0.0029586 k( 326) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0029586 k( 327) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0029586 k( 328) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0029586 k( 329) = ( 0.5000000 0.5000000 0.3977273), wk = 0.0029586 k( 330) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0029586 k( 331) = ( 0.5000000 0.5000000 0.4204545), wk = 0.0029586 k( 332) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0029586 k( 333) = ( 0.5000000 0.5000000 0.4431818), wk = 0.0029586 k( 334) = ( 0.5000000 0.5000000 0.4545454), wk = 0.0029586 k( 335) = ( 0.5000000 0.5000000 0.4659091), wk = 0.0029586 k( 336) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0029586 k( 337) = ( 0.5000000 0.5000000 0.4886364), wk = 0.0029586 k( 338) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0000000 0.0113636 0.0000000), wk = 0.0029586 k( 3) = ( 0.0000000 0.0227273 0.0000000), wk = 0.0029586 k( 4) = ( 0.0000000 0.0340909 0.0000000), wk = 0.0029586 k( 5) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0029586 k( 6) = ( 0.0000000 0.0568182 0.0000000), wk = 0.0029586 k( 7) = ( 0.0000000 0.0681818 0.0000000), wk = 0.0029586 k( 8) = ( 0.0000000 0.0795455 0.0000000), wk = 0.0029586 k( 9) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0029586 k( 10) = ( 0.0000000 0.1022727 0.0000000), wk = 0.0029586 k( 11) = ( 0.0000000 0.1136364 0.0000000), wk = 0.0029586 k( 12) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0029586 k( 13) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0029586 k( 14) = ( 0.0000000 0.1477273 0.0000000), wk = 0.0029586 k( 15) = ( 0.0000000 0.1590909 0.0000000), wk = 0.0029586 k( 16) = ( 0.0000000 0.1704546 0.0000000), wk = 0.0029586 k( 17) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0029586 k( 18) = ( 0.0000000 0.1931818 0.0000000), wk = 0.0029586 k( 19) = ( 0.0000000 0.2045454 0.0000000), wk = 0.0029586 k( 20) = ( 0.0000000 0.2159091 0.0000000), wk = 0.0029586 k( 21) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0029586 k( 22) = ( 0.0000000 0.2386364 0.0000000), wk = 0.0029586 k( 23) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0029586 k( 24) = ( 0.0000000 0.2613636 0.0000000), wk = 0.0029586 k( 25) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0029586 k( 26) = ( 0.0000000 0.2840909 0.0000000), wk = 0.0029586 k( 27) = ( 0.0000000 0.2954545 0.0000000), wk = 0.0029586 k( 28) = ( 0.0000000 0.3068182 0.0000000), wk = 0.0029586 k( 29) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0029586 k( 30) = ( 0.0000000 0.3295455 0.0000000), wk = 0.0029586 k( 31) = ( 0.0000000 0.3409091 0.0000000), wk = 0.0029586 k( 32) = ( 0.0000000 0.3522727 0.0000000), wk = 0.0029586 k( 33) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0029586 k( 34) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0029586 k( 35) = ( 0.0000000 0.3863636 0.0000000), wk = 0.0029586 k( 36) = ( 0.0000000 0.3977273 0.0000000), wk = 0.0029586 k( 37) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0029586 k( 38) = ( 0.0000000 0.4204545 0.0000000), wk = 0.0029586 k( 39) = ( 0.0000000 0.4318182 0.0000000), wk = 0.0029586 k( 40) = ( 0.0000000 0.4431818 0.0000000), wk = 0.0029586 k( 41) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0029586 k( 42) = ( 0.0000000 0.4659091 0.0000000), wk = 0.0029586 k( 43) = ( 0.0000000 0.4772727 0.0000000), wk = 0.0029586 k( 44) = ( 0.0000000 0.4886364 0.0000000), wk = 0.0029586 k( 45) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029586 k( 46) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029586 k( 47) = ( 0.0113636 0.5000000 0.0000000), wk = 0.0029586 k( 48) = ( 0.0227273 0.5000000 0.0000000), wk = 0.0029586 k( 49) = ( 0.0340909 0.5000000 0.0000000), wk = 0.0029586 k( 50) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0029586 k( 51) = ( 0.0568182 0.5000000 0.0000000), wk = 0.0029586 k( 52) = ( 0.0681818 0.5000000 0.0000000), wk = 0.0029586 k( 53) = ( 0.0795455 0.5000000 0.0000000), wk = 0.0029586 k( 54) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0029586 k( 55) = ( 0.1022727 0.5000000 0.0000000), wk = 0.0029586 k( 56) = ( 0.1136364 0.5000000 0.0000000), wk = 0.0029586 k( 57) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0029586 k( 58) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0029586 k( 59) = ( 0.1477273 0.5000000 0.0000000), wk = 0.0029586 k( 60) = ( 0.1590909 0.5000000 0.0000000), wk = 0.0029586 k( 61) = ( 0.1704546 0.5000000 0.0000000), wk = 0.0029586 k( 62) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0029586 k( 63) = ( 0.1931818 0.5000000 0.0000000), wk = 0.0029586 k( 64) = ( 0.2045454 0.5000000 0.0000000), wk = 0.0029586 k( 65) = ( 0.2159091 0.5000000 0.0000000), wk = 0.0029586 k( 66) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0029586 k( 67) = ( 0.2386364 0.5000000 0.0000000), wk = 0.0029586 k( 68) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0029586 k( 69) = ( 0.2613636 0.5000000 0.0000000), wk = 0.0029586 k( 70) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0029586 k( 71) = ( 0.2840909 0.5000000 0.0000000), wk = 0.0029586 k( 72) = ( 0.2954545 0.5000000 0.0000000), wk = 0.0029586 k( 73) = ( 0.3068182 0.5000000 0.0000000), wk = 0.0029586 k( 74) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0029586 k( 75) = ( 0.3295455 0.5000000 0.0000000), wk = 0.0029586 k( 76) = ( 0.3409091 0.5000000 0.0000000), wk = 0.0029586 k( 77) = ( 0.3522727 0.5000000 0.0000000), wk = 0.0029586 k( 78) = ( 0.3636364 0.5000000 0.0000000), wk = 0.0029586 k( 79) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0029586 k( 80) = ( 0.3863636 0.5000000 0.0000000), wk = 0.0029586 k( 81) = ( 0.3977273 0.5000000 -0.0000000), wk = 0.0029586 k( 82) = ( 0.4090909 0.5000000 0.0000000), wk = 0.0029586 k( 83) = ( 0.4204545 0.5000000 0.0000000), wk = 0.0029586 k( 84) = ( 0.4318182 0.5000000 0.0000000), wk = 0.0029586 k( 85) = ( 0.4431818 0.5000000 0.0000000), wk = 0.0029586 k( 86) = ( 0.4545455 0.5000000 0.0000000), wk = 0.0029586 k( 87) = ( 0.4659091 0.5000000 0.0000000), wk = 0.0029586 k( 88) = ( 0.4772727 0.5000000 0.0000000), wk = 0.0029586 k( 89) = ( 0.4886364 0.5000000 0.0000000), wk = 0.0029586 k( 90) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029586 k( 91) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029586 k( 92) = ( 0.4919355 0.4919355 0.0000000), wk = 0.0029586 k( 93) = ( 0.4838710 0.4838710 0.0000000), wk = 0.0029586 k( 94) = ( 0.4758064 0.4758064 0.0000000), wk = 0.0029586 k( 95) = ( 0.4677419 0.4677419 0.0000000), wk = 0.0029586 k( 96) = ( 0.4596774 0.4596774 0.0000000), wk = 0.0029586 k( 97) = ( 0.4516129 0.4516129 0.0000000), wk = 0.0029586 k( 98) = ( 0.4435484 0.4435484 0.0000000), wk = 0.0029586 k( 99) = ( 0.4354839 0.4354839 0.0000000), wk = 0.0029586 k( 100) = ( 0.4274193 0.4274193 0.0000000), wk = 0.0029586 k( 101) = ( 0.4193548 0.4193548 0.0000000), wk = 0.0029586 k( 102) = ( 0.4112903 0.4112903 0.0000000), wk = 0.0029586 k( 103) = ( 0.4032258 0.4032258 0.0000000), wk = 0.0029586 k( 104) = ( 0.3951613 0.3951613 0.0000000), wk = 0.0029586 k( 105) = ( 0.3870968 0.3870968 0.0000000), wk = 0.0029586 k( 106) = ( 0.3790323 0.3790323 0.0000000), wk = 0.0029586 k( 107) = ( 0.3709677 0.3709677 0.0000000), wk = 0.0029586 k( 108) = ( 0.3629032 0.3629032 0.0000000), wk = 0.0029586 k( 109) = ( 0.3548387 0.3548387 0.0000000), wk = 0.0029586 k( 110) = ( 0.3467742 0.3467742 0.0000000), wk = 0.0029586 k( 111) = ( 0.3387097 0.3387097 0.0000000), wk = 0.0029586 k( 112) = ( 0.3306452 0.3306452 0.0000000), wk = 0.0029586 k( 113) = ( 0.3225807 0.3225807 0.0000000), wk = 0.0029586 k( 114) = ( 0.3145161 0.3145161 0.0000000), wk = 0.0029586 k( 115) = ( 0.3064516 0.3064516 0.0000000), wk = 0.0029586 k( 116) = ( 0.2983871 0.2983871 0.0000000), wk = 0.0029586 k( 117) = ( 0.2903226 0.2903226 0.0000000), wk = 0.0029586 k( 118) = ( 0.2822581 0.2822581 0.0000000), wk = 0.0029586 k( 119) = ( 0.2741936 0.2741936 0.0000000), wk = 0.0029586 k( 120) = ( 0.2661290 0.2661290 0.0000000), wk = 0.0029586 k( 121) = ( 0.2580645 0.2580645 0.0000000), wk = 0.0029586 k( 122) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0029586 k( 123) = ( 0.2419355 0.2419355 0.0000000), wk = 0.0029586 k( 124) = ( 0.2338710 0.2338710 0.0000000), wk = 0.0029586 k( 125) = ( 0.2258064 0.2258064 0.0000000), wk = 0.0029586 k( 126) = ( 0.2177419 0.2177419 0.0000000), wk = 0.0029586 k( 127) = ( 0.2096774 0.2096774 0.0000000), wk = 0.0029586 k( 128) = ( 0.2016129 0.2016129 0.0000000), wk = 0.0029586 k( 129) = ( 0.1935484 0.1935484 0.0000000), wk = 0.0029586 k( 130) = ( 0.1854839 0.1854839 0.0000000), wk = 0.0029586 k( 131) = ( 0.1774194 0.1774194 0.0000000), wk = 0.0029586 k( 132) = ( 0.1693548 0.1693548 0.0000000), wk = 0.0029586 k( 133) = ( 0.1612903 0.1612903 0.0000000), wk = 0.0029586 k( 134) = ( 0.1532258 0.1532258 0.0000000), wk = 0.0029586 k( 135) = ( 0.1451613 0.1451613 0.0000000), wk = 0.0029586 k( 136) = ( 0.1370968 0.1370968 0.0000000), wk = 0.0029586 k( 137) = ( 0.1290323 0.1290323 0.0000000), wk = 0.0029586 k( 138) = ( 0.1209677 0.1209677 0.0000000), wk = 0.0029586 k( 139) = ( 0.1129032 0.1129032 0.0000000), wk = 0.0029586 k( 140) = ( 0.1048387 0.1048387 0.0000000), wk = 0.0029586 k( 141) = ( 0.0967742 0.0967742 0.0000000), wk = 0.0029586 k( 142) = ( 0.0887097 0.0887097 0.0000000), wk = 0.0029586 k( 143) = ( 0.0806452 0.0806452 0.0000000), wk = 0.0029586 k( 144) = ( 0.0725806 0.0725806 0.0000000), wk = 0.0029586 k( 145) = ( 0.0645161 0.0645161 0.0000000), wk = 0.0029586 k( 146) = ( 0.0564516 0.0564516 0.0000000), wk = 0.0029586 k( 147) = ( 0.0483871 0.0483871 0.0000000), wk = 0.0029586 k( 148) = ( 0.0403226 0.0403226 0.0000000), wk = 0.0029586 k( 149) = ( 0.0322581 0.0322581 0.0000000), wk = 0.0029586 k( 150) = ( 0.0241936 0.0241936 0.0000000), wk = 0.0029586 k( 151) = ( 0.0161290 0.0161290 0.0000000), wk = 0.0029586 k( 152) = ( 0.0080645 0.0080645 0.0000000), wk = 0.0029586 k( 153) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 154) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 155) = ( 0.0065790 0.0065790 0.0065790), wk = 0.0029586 k( 156) = ( 0.0131579 0.0131579 0.0131579), wk = 0.0029586 k( 157) = ( 0.0197368 0.0197368 0.0197368), wk = 0.0029586 k( 158) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0029586 k( 159) = ( 0.0328947 0.0328947 0.0328947), wk = 0.0029586 k( 160) = ( 0.0394737 0.0394737 0.0394737), wk = 0.0029586 k( 161) = ( 0.0460526 0.0460526 0.0460526), wk = 0.0029586 k( 162) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0029586 k( 163) = ( 0.0592105 0.0592105 0.0592105), wk = 0.0029586 k( 164) = ( 0.0657895 0.0657895 0.0657895), wk = 0.0029586 k( 165) = ( 0.0723684 0.0723684 0.0723684), wk = 0.0029586 k( 166) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0029586 k( 167) = ( 0.0855263 0.0855263 0.0855263), wk = 0.0029586 k( 168) = ( 0.0921053 0.0921053 0.0921053), wk = 0.0029586 k( 169) = ( 0.0986842 0.0986842 0.0986842), wk = 0.0029586 k( 170) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0029586 k( 171) = ( 0.1118421 0.1118421 0.1118421), wk = 0.0029586 k( 172) = ( 0.1184210 0.1184210 0.1184210), wk = 0.0029586 k( 173) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0029586 k( 174) = ( 0.1315790 0.1315790 0.1315790), wk = 0.0029586 k( 175) = ( 0.1381579 0.1381579 0.1381579), wk = 0.0029586 k( 176) = ( 0.1447368 0.1447368 0.1447368), wk = 0.0029586 k( 177) = ( 0.1513158 0.1513158 0.1513158), wk = 0.0029586 k( 178) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0029586 k( 179) = ( 0.1644737 0.1644737 0.1644737), wk = 0.0029586 k( 180) = ( 0.1710526 0.1710526 0.1710526), wk = 0.0029586 k( 181) = ( 0.1776316 0.1776316 0.1776316), wk = 0.0029586 k( 182) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0029586 k( 183) = ( 0.1907895 0.1907895 0.1907895), wk = 0.0029586 k( 184) = ( 0.1973684 0.1973684 0.1973684), wk = 0.0029586 k( 185) = ( 0.2039474 0.2039474 0.2039474), wk = 0.0029586 k( 186) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0029586 k( 187) = ( 0.2171053 0.2171053 0.2171053), wk = 0.0029586 k( 188) = ( 0.2236842 0.2236842 0.2236842), wk = 0.0029586 k( 189) = ( 0.2302632 0.2302632 0.2302632), wk = 0.0029586 k( 190) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0029586 k( 191) = ( 0.2434210 0.2434210 0.2434210), wk = 0.0029586 k( 192) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029586 k( 193) = ( 0.2565789 0.2565789 0.2565789), wk = 0.0029586 k( 194) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0029586 k( 195) = ( 0.2697368 0.2697368 0.2697368), wk = 0.0029586 k( 196) = ( 0.2763158 0.2763158 0.2763158), wk = 0.0029586 k( 197) = ( 0.2828947 0.2828947 0.2828947), wk = 0.0029586 k( 198) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0029586 k( 199) = ( 0.2960526 0.2960526 0.2960526), wk = 0.0029586 k( 200) = ( 0.3026316 0.3026316 0.3026316), wk = 0.0029586 k( 201) = ( 0.3092105 0.3092105 0.3092105), wk = 0.0029586 k( 202) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0029586 k( 203) = ( 0.3223684 0.3223684 0.3223684), wk = 0.0029586 k( 204) = ( 0.3289474 0.3289474 0.3289474), wk = 0.0029586 k( 205) = ( 0.3355263 0.3355263 0.3355263), wk = 0.0029586 k( 206) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0029586 k( 207) = ( 0.3486842 0.3486842 0.3486842), wk = 0.0029586 k( 208) = ( 0.3552632 0.3552632 0.3552632), wk = 0.0029586 k( 209) = ( 0.3618421 0.3618421 0.3618421), wk = 0.0029586 k( 210) = ( 0.3684211 0.3684211 0.3684211), wk = 0.0029586 k( 211) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0029586 k( 212) = ( 0.3815789 0.3815789 0.3815789), wk = 0.0029586 k( 213) = ( 0.3881579 0.3881579 0.3881579), wk = 0.0029586 k( 214) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0029586 k( 215) = ( 0.4013158 0.4013158 0.4013158), wk = 0.0029586 k( 216) = ( 0.4078947 0.4078947 0.4078947), wk = 0.0029586 k( 217) = ( 0.4144737 0.4144737 0.4144737), wk = 0.0029586 k( 218) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0029586 k( 219) = ( 0.4276316 0.4276316 0.4276316), wk = 0.0029586 k( 220) = ( 0.4342105 0.4342105 0.4342105), wk = 0.0029586 k( 221) = ( 0.4407895 0.4407895 0.4407895), wk = 0.0029586 k( 222) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0029586 k( 223) = ( 0.4539474 0.4539474 0.4539474), wk = 0.0029586 k( 224) = ( 0.4605263 0.4605263 0.4605263), wk = 0.0029586 k( 225) = ( 0.4671053 0.4671053 0.4671053), wk = 0.0029586 k( 226) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0029586 k( 227) = ( 0.4802632 0.4802632 0.4802632), wk = 0.0029586 k( 228) = ( 0.4868421 0.4868421 0.4868421), wk = 0.0029586 k( 229) = ( 0.4934211 0.4934211 0.4934211), wk = 0.0029586 k( 230) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 k( 231) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 k( 232) = ( 0.4919355 0.5000000 0.4919355), wk = 0.0029586 k( 233) = ( 0.4838710 0.5000000 0.4838710), wk = 0.0029586 k( 234) = ( 0.4758064 0.5000000 0.4758064), wk = 0.0029586 k( 235) = ( 0.4677419 0.5000000 0.4677419), wk = 0.0029586 k( 236) = ( 0.4596774 0.5000000 0.4596774), wk = 0.0029586 k( 237) = ( 0.4516129 0.5000000 0.4516129), wk = 0.0029586 k( 238) = ( 0.4435484 0.5000000 0.4435484), wk = 0.0029586 k( 239) = ( 0.4354839 0.5000000 0.4354839), wk = 0.0029586 k( 240) = ( 0.4274193 0.5000000 0.4274193), wk = 0.0029586 k( 241) = ( 0.4193548 0.5000000 0.4193548), wk = 0.0029586 k( 242) = ( 0.4112903 0.5000000 0.4112903), wk = 0.0029586 k( 243) = ( 0.4032258 0.5000000 0.4032258), wk = 0.0029586 k( 244) = ( 0.3951613 0.5000000 0.3951613), wk = 0.0029586 k( 245) = ( 0.3870968 0.5000000 0.3870968), wk = 0.0029586 k( 246) = ( 0.3790323 0.5000000 0.3790323), wk = 0.0029586 k( 247) = ( 0.3709677 0.5000000 0.3709677), wk = 0.0029586 k( 248) = ( 0.3629032 0.5000000 0.3629032), wk = 0.0029586 k( 249) = ( 0.3548387 0.5000000 0.3548387), wk = 0.0029586 k( 250) = ( 0.3467742 0.5000000 0.3467742), wk = 0.0029586 k( 251) = ( 0.3387097 0.5000000 0.3387097), wk = 0.0029586 k( 252) = ( 0.3306452 0.5000000 0.3306452), wk = 0.0029586 k( 253) = ( 0.3225807 0.5000000 0.3225807), wk = 0.0029586 k( 254) = ( 0.3145161 0.5000000 0.3145161), wk = 0.0029586 k( 255) = ( 0.3064516 0.5000000 0.3064516), wk = 0.0029586 k( 256) = ( 0.2983871 0.5000000 0.2983871), wk = 0.0029586 k( 257) = ( 0.2903226 0.5000000 0.2903226), wk = 0.0029586 k( 258) = ( 0.2822581 0.5000000 0.2822581), wk = 0.0029586 k( 259) = ( 0.2741936 0.5000000 0.2741936), wk = 0.0029586 k( 260) = ( 0.2661290 0.5000000 0.2661290), wk = 0.0029586 k( 261) = ( 0.2580645 0.5000000 0.2580645), wk = 0.0029586 k( 262) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0029586 k( 263) = ( 0.2419355 0.5000000 0.2419355), wk = 0.0029586 k( 264) = ( 0.2338710 0.5000000 0.2338710), wk = 0.0029586 k( 265) = ( 0.2258064 0.5000000 0.2258064), wk = 0.0029586 k( 266) = ( 0.2177419 0.5000000 0.2177419), wk = 0.0029586 k( 267) = ( 0.2096774 0.5000000 0.2096774), wk = 0.0029586 k( 268) = ( 0.2016129 0.5000000 0.2016129), wk = 0.0029586 k( 269) = ( 0.1935484 0.5000000 0.1935484), wk = 0.0029586 k( 270) = ( 0.1854839 0.5000000 0.1854839), wk = 0.0029586 k( 271) = ( 0.1774194 0.5000000 0.1774194), wk = 0.0029586 k( 272) = ( 0.1693548 0.5000000 0.1693548), wk = 0.0029586 k( 273) = ( 0.1612903 0.5000000 0.1612903), wk = 0.0029586 k( 274) = ( 0.1532258 0.5000000 0.1532258), wk = 0.0029586 k( 275) = ( 0.1451613 0.5000000 0.1451613), wk = 0.0029586 k( 276) = ( 0.1370968 0.5000000 0.1370968), wk = 0.0029586 k( 277) = ( 0.1290323 0.5000000 0.1290323), wk = 0.0029586 k( 278) = ( 0.1209677 0.5000000 0.1209677), wk = 0.0029586 k( 279) = ( 0.1129032 0.5000000 0.1129032), wk = 0.0029586 k( 280) = ( 0.1048387 0.5000000 0.1048387), wk = 0.0029586 k( 281) = ( 0.0967742 0.5000000 0.0967742), wk = 0.0029586 k( 282) = ( 0.0887097 0.5000000 0.0887097), wk = 0.0029586 k( 283) = ( 0.0806452 0.5000000 0.0806452), wk = 0.0029586 k( 284) = ( 0.0725806 0.5000000 0.0725806), wk = 0.0029586 k( 285) = ( 0.0645161 0.5000000 0.0645161), wk = 0.0029586 k( 286) = ( 0.0564516 0.5000000 0.0564516), wk = 0.0029586 k( 287) = ( 0.0483871 0.5000000 0.0483871), wk = 0.0029586 k( 288) = ( 0.0403226 0.5000000 0.0403226), wk = 0.0029586 k( 289) = ( 0.0322581 0.5000000 0.0322581), wk = 0.0029586 k( 290) = ( 0.0241936 0.5000000 0.0241936), wk = 0.0029586 k( 291) = ( 0.0161290 0.5000000 0.0161290), wk = 0.0029586 k( 292) = ( 0.0080645 0.5000000 0.0080645), wk = 0.0029586 k( 293) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0029586 k( 294) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029586 k( 295) = ( 0.5000000 0.5000000 0.0113636), wk = 0.0029586 k( 296) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0029586 k( 297) = ( 0.5000000 0.5000000 0.0340909), wk = 0.0029586 k( 298) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0029586 k( 299) = ( 0.5000000 0.5000000 0.0568182), wk = 0.0029586 k( 300) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0029586 k( 301) = ( 0.5000000 0.5000000 0.0795455), wk = 0.0029586 k( 302) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0029586 k( 303) = ( 0.5000000 0.5000000 0.1022727), wk = 0.0029586 k( 304) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0029586 k( 305) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0029586 k( 306) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0029586 k( 307) = ( 0.5000000 0.5000000 0.1477273), wk = 0.0029586 k( 308) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0029586 k( 309) = ( 0.5000000 0.5000000 0.1704546), wk = 0.0029586 k( 310) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0029586 k( 311) = ( 0.5000000 0.5000000 0.1931818), wk = 0.0029586 k( 312) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0029586 k( 313) = ( 0.5000000 0.5000000 0.2159091), wk = 0.0029586 k( 314) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0029586 k( 315) = ( 0.5000000 0.5000000 0.2386364), wk = 0.0029586 k( 316) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0029586 k( 317) = ( 0.5000000 0.5000000 0.2613636), wk = 0.0029586 k( 318) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0029586 k( 319) = ( 0.5000000 0.5000000 0.2840909), wk = 0.0029586 k( 320) = ( 0.5000000 0.5000000 0.2954545), wk = 0.0029586 k( 321) = ( 0.5000000 0.5000000 0.3068182), wk = 0.0029586 k( 322) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0029586 k( 323) = ( 0.5000000 0.5000000 0.3295455), wk = 0.0029586 k( 324) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0029586 k( 325) = ( 0.5000000 0.5000000 0.3522727), wk = 0.0029586 k( 326) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0029586 k( 327) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0029586 k( 328) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0029586 k( 329) = ( 0.5000000 0.5000000 0.3977273), wk = 0.0029586 k( 330) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0029586 k( 331) = ( 0.5000000 0.5000000 0.4204545), wk = 0.0029586 k( 332) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0029586 k( 333) = ( 0.5000000 0.5000000 0.4431818), wk = 0.0029586 k( 334) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0029586 k( 335) = ( 0.5000000 0.5000000 0.4659091), wk = 0.0029586 k( 336) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0029586 k( 337) = ( 0.5000000 0.5000000 0.4886364), wk = 0.0029586 k( 338) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 Dense grid: 19381 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 13205 G-vectors FFT dimensions: ( 30, 30, 30) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 94, 36) NL pseudopotentials 0.08 Mb ( 47, 116) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 539) G-vector shells 0.00 Mb ( 152) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.21 Mb ( 94, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.13 Mb ( 116, 2, 36) The potential is recalculated from file : ./Fe3Ge.save/charge-density.dat Starting wfc are 62 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 1.9 secs Computing kpt #: 3 total cpu time spent up to now is 2.1 secs Computing kpt #: 4 total cpu time spent up to now is 2.3 secs Computing kpt #: 5 total cpu time spent up to now is 2.5 secs Computing kpt #: 6 total cpu time spent up to now is 2.7 secs Computing kpt #: 7 total cpu time spent up to now is 2.9 secs Computing kpt #: 8 total cpu time spent up to now is 3.1 secs Computing kpt #: 9 total cpu time spent up to now is 3.3 secs Computing kpt #: 10 total cpu time spent up to now is 3.5 secs Computing kpt #: 11 total cpu time spent up to now is 3.7 secs Computing kpt #: 12 total cpu time spent up to now is 3.9 secs Computing kpt #: 13 total cpu time spent up to now is 4.1 secs Computing kpt #: 14 total cpu time spent up to now is 4.3 secs Computing kpt #: 15 total cpu time spent up to now is 4.5 secs Computing kpt #: 16 total cpu time spent up to now is 4.7 secs Computing kpt #: 17 total cpu time spent up to now is 4.9 secs Computing kpt #: 18 total cpu time spent up to now is 5.1 secs Computing kpt #: 19 total cpu time spent up to now is 5.3 secs Computing kpt #: 20 total cpu time spent up to now is 5.5 secs Computing kpt #: 21 total cpu time spent up to now is 5.7 secs Computing kpt #: 22 total cpu time spent up to now is 5.9 secs Computing kpt #: 23 total cpu time spent up to now is 6.1 secs Computing kpt #: 24 total cpu time spent up to now is 6.3 secs Computing kpt #: 25 total cpu time spent up to now is 6.5 secs Computing kpt #: 26 total cpu time spent up to now is 6.7 secs Computing kpt #: 27 total cpu time spent up to now is 7.0 secs Computing kpt #: 28 total cpu time spent up to now is 7.1 secs Computing kpt #: 29 total cpu time spent up to now is 7.4 secs Computing kpt #: 30 total cpu time spent up to now is 7.7 secs Computing kpt #: 31 total cpu time spent up to now is 7.9 secs Computing kpt #: 32 total cpu time spent up to now is 8.1 secs Computing kpt #: 33 total cpu time spent up to now is 8.3 secs Computing kpt #: 34 total cpu time spent up to now is 8.5 secs Computing kpt #: 35 total cpu time spent up to now is 8.8 secs Computing kpt #: 36 total cpu time spent up to now is 9.0 secs Computing kpt #: 37 total cpu time spent up to now is 9.2 secs Computing kpt #: 38 total cpu time spent up to now is 9.4 secs Computing kpt #: 39 total cpu time spent up to now is 9.7 secs Computing kpt #: 40 total cpu time spent up to now is 9.9 secs Computing kpt #: 41 total cpu time spent up to now is 10.1 secs Computing kpt #: 42 total cpu time spent up to now is 10.3 secs Computing kpt #: 43 total cpu time spent up to now is 10.5 secs Computing kpt #: 44 total cpu time spent up to now is 10.8 secs Computing kpt #: 45 total cpu time spent up to now is 11.0 secs Computing kpt #: 46 total cpu time spent up to now is 11.2 secs Computing kpt #: 47 total cpu time spent up to now is 11.4 secs Computing kpt #: 48 total cpu time spent up to 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total cpu time spent up to now is 14.4 secs Computing kpt #: 65 total cpu time spent up to now is 14.6 secs Computing kpt #: 66 total cpu time spent up to now is 14.8 secs Computing kpt #: 67 total cpu time spent up to now is 14.9 secs Computing kpt #: 68 total cpu time spent up to now is 15.1 secs Computing kpt #: 69 total cpu time spent up to now is 15.3 secs Computing kpt #: 70 total cpu time spent up to now is 15.4 secs Computing kpt #: 71 total cpu time spent up to now is 15.6 secs Computing kpt #: 72 total cpu time spent up to now is 15.8 secs Computing kpt #: 73 total cpu time spent up to now is 15.9 secs Computing kpt #: 74 total cpu time spent up to now is 16.1 secs Computing kpt #: 75 total cpu time spent up to now is 16.3 secs Computing kpt #: 76 total cpu time spent up to now is 16.5 secs Computing kpt #: 77 total cpu time spent up to now is 16.6 secs Computing kpt #: 78 total cpu time spent up to now is 16.8 secs Computing kpt #: 79 total cpu time spent up to now is 17.0 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Computing kpt #: 111 total cpu time spent up to now is 22.8 secs Computing kpt #: 112 total cpu time spent up to now is 23.0 secs Computing kpt #: 113 total cpu time spent up to now is 23.1 secs Computing kpt #: 114 total cpu time spent up to now is 23.3 secs Computing kpt #: 115 total cpu time spent up to now is 23.4 secs Computing kpt #: 116 total cpu time spent up to now is 23.6 secs Computing kpt #: 117 total cpu time spent up to now is 23.7 secs Computing kpt #: 118 total cpu time spent up to now is 23.8 secs Computing kpt #: 119 total cpu time spent up to now is 24.0 secs Computing kpt #: 120 total cpu time spent up to now is 24.1 secs Computing kpt #: 121 total cpu time spent up to now is 24.3 secs Computing kpt #: 122 total cpu time spent up to now is 24.4 secs Computing kpt #: 123 total cpu time spent up to now is 24.6 secs Computing kpt #: 124 total cpu time spent up to now is 24.7 secs Computing kpt #: 125 total cpu time spent up to now is 24.8 secs Computing kpt #: 126 total cpu time spent up to now is 25.0 secs Computing kpt #: 127 total cpu time spent up to now is 25.2 secs Computing kpt #: 128 total cpu time spent up to now is 25.3 secs Computing kpt #: 129 total cpu time spent up to now is 25.5 secs Computing kpt #: 130 total cpu time spent up to now is 25.6 secs Computing kpt #: 131 total cpu time spent up to now is 25.8 secs Computing kpt #: 132 total cpu time spent up to now is 25.9 secs Computing kpt #: 133 total cpu time spent up to now is 26.1 secs Computing kpt #: 134 total cpu time spent up to now is 26.3 secs Computing kpt #: 135 total cpu time spent up to now is 26.5 secs Computing kpt #: 136 total cpu time spent up to now is 26.6 secs Computing kpt #: 137 total cpu time spent up to now is 26.8 secs Computing kpt #: 138 total cpu time spent up to now is 27.0 secs Computing kpt #: 139 total cpu time spent up to now is 27.2 secs Computing kpt #: 140 total cpu time spent up to now is 27.4 secs Computing kpt #: 141 total cpu time spent up 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total cpu time spent up to now is 33.5 secs Computing kpt #: 173 total cpu time spent up to now is 33.7 secs Computing kpt #: 174 total cpu time spent up to now is 33.9 secs Computing kpt #: 175 total cpu time spent up to now is 34.1 secs Computing kpt #: 176 total cpu time spent up to now is 34.2 secs Computing kpt #: 177 total cpu time spent up to now is 34.4 secs Computing kpt #: 178 total cpu time spent up to now is 34.6 secs Computing kpt #: 179 total cpu time spent up to now is 34.8 secs Computing kpt #: 180 total cpu time spent up to now is 35.0 secs Computing kpt #: 181 total cpu time spent up to now is 35.2 secs Computing kpt #: 182 total cpu time spent up to now is 35.4 secs Computing kpt #: 183 total cpu time spent up to now is 35.6 secs Computing kpt #: 184 total cpu time spent up to now is 35.8 secs Computing kpt #: 185 total cpu time spent up to now is 36.0 secs Computing kpt #: 186 total cpu time spent up to now is 36.2 secs Computing kpt #: 187 total cpu time spent up 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Computing kpt #: 203 total cpu time spent up to now is 39.6 secs Computing kpt #: 204 total cpu time spent up to now is 39.8 secs Computing kpt #: 205 total cpu time spent up to now is 40.0 secs Computing kpt #: 206 total cpu time spent up to now is 40.3 secs Computing kpt #: 207 total cpu time spent up to now is 40.6 secs Computing kpt #: 208 total cpu time spent up to now is 40.9 secs Computing kpt #: 209 total cpu time spent up to now is 41.2 secs Computing kpt #: 210 total cpu time spent up to now is 41.6 secs Computing kpt #: 211 total cpu time spent up to now is 41.9 secs Computing kpt #: 212 total cpu time spent up to now is 42.2 secs Computing kpt #: 213 total cpu time spent up to now is 42.4 secs Computing kpt #: 214 total cpu time spent up to now is 42.7 secs Computing kpt #: 215 total cpu time spent up to now is 43.0 secs Computing kpt #: 216 total cpu time spent up to now is 43.3 secs Computing kpt #: 217 total cpu time spent up to now is 43.5 secs Computing kpt #: 218 total cpu time spent up to now is 43.9 secs Computing kpt #: 219 total cpu time spent up to now is 44.2 secs Computing kpt #: 220 total cpu time spent up to now is 44.5 secs Computing kpt #: 221 total cpu time spent up to now is 44.8 secs Computing kpt #: 222 total cpu time spent up to now is 45.0 secs Computing kpt #: 223 total cpu time spent up to now is 45.3 secs Computing kpt #: 224 total cpu time spent up to now is 45.5 secs Computing kpt #: 225 total cpu time spent up to now is 45.7 secs Computing kpt #: 226 total cpu time spent up to now is 45.9 secs Computing kpt #: 227 total cpu time spent up to now is 46.2 secs Computing kpt #: 228 total cpu time spent up to now is 46.4 secs Computing kpt #: 229 total cpu time spent up to now is 46.6 secs Computing kpt #: 230 total cpu time spent up to now is 46.9 secs Computing kpt #: 231 total cpu time spent up to now is 47.1 secs Computing kpt #: 232 total cpu time spent up to now is 47.3 secs Computing kpt #: 233 total cpu time spent up to now is 47.5 secs Computing kpt #: 234 total cpu time spent up to now is 47.7 secs Computing kpt #: 235 total cpu time spent up to now is 47.9 secs Computing kpt #: 236 total cpu time spent up to now is 48.2 secs Computing kpt #: 237 total cpu time spent up to now is 48.5 secs Computing kpt #: 238 total cpu time spent up to now is 48.7 secs Computing kpt #: 239 total cpu time spent up to now is 48.8 secs Computing kpt #: 240 total cpu time spent up to now is 49.1 secs Computing kpt #: 241 total cpu time spent up to now is 49.4 secs Computing kpt #: 242 total cpu time spent up to now is 49.7 secs Computing kpt #: 243 total cpu time spent up to now is 49.9 secs Computing kpt #: 244 total cpu time spent up to now is 50.3 secs Computing kpt #: 245 total cpu time spent up to now is 50.5 secs Computing kpt #: 246 total cpu time spent up to now is 50.8 secs Computing kpt #: 247 total cpu time spent up to now is 51.0 secs Computing kpt #: 248 total cpu time spent up to now is 51.3 secs Computing kpt #: 249 total cpu time spent up to now is 51.5 secs Computing kpt #: 250 total cpu time spent up to now is 51.7 secs Computing kpt #: 251 total cpu time spent up to now is 51.9 secs Computing kpt #: 252 total cpu time spent up to now is 52.2 secs Computing kpt #: 253 total cpu time spent up to now is 52.4 secs Computing kpt #: 254 total cpu time spent up to now is 52.6 secs Computing kpt #: 255 total cpu time spent up to now is 52.8 secs Computing kpt #: 256 total cpu time spent up to now is 53.0 secs Computing kpt #: 257 total cpu time spent up to now is 53.3 secs Computing kpt #: 258 total cpu time spent up to now is 53.4 secs Computing kpt #: 259 total cpu time spent up to now is 53.6 secs Computing kpt #: 260 total cpu time spent up to now is 53.8 secs Computing kpt #: 261 total cpu time spent up to now is 54.0 secs Computing kpt #: 262 total cpu time spent up to now is 54.1 secs Computing kpt #: 263 total cpu time spent up to now is 54.3 secs Computing kpt #: 264 total cpu time spent up to now is 54.5 secs Computing kpt #: 265 total cpu time spent up to now is 54.7 secs Computing kpt #: 266 total cpu time spent up to now is 54.8 secs Computing kpt #: 267 total cpu time spent up to now is 55.0 secs Computing kpt #: 268 total cpu time spent up to now is 55.2 secs Computing kpt #: 269 total cpu time spent up to now is 55.4 secs Computing kpt #: 270 total cpu time spent up to now is 55.6 secs Computing kpt #: 271 total cpu time spent up to now is 55.8 secs Computing kpt #: 272 total cpu time spent up to now is 56.0 secs Computing kpt #: 273 total cpu time spent up to now is 56.2 secs Computing kpt #: 274 total cpu time spent up to now is 56.4 secs Computing kpt #: 275 total cpu time spent up to now is 56.7 secs Computing kpt #: 276 total cpu time spent up to now is 56.9 secs Computing kpt #: 277 total cpu time spent up to now is 57.1 secs Computing kpt #: 278 total cpu time spent up to now is 57.3 secs Computing kpt #: 279 total cpu time spent up to now is 57.5 secs Computing kpt #: 280 total cpu time spent up to now is 57.7 secs Computing kpt #: 281 total cpu time spent up to now is 57.9 secs Computing kpt #: 282 total cpu time spent up to now is 58.1 secs Computing kpt #: 283 total cpu time spent up to now is 58.3 secs Computing kpt #: 284 total cpu time spent up to now is 58.5 secs Computing kpt #: 285 total cpu time spent up to now is 58.7 secs Computing kpt #: 286 total cpu time spent up to now is 58.9 secs Computing kpt #: 287 total cpu time spent up to now is 59.1 secs Computing kpt #: 288 total cpu time spent up to now is 59.3 secs Computing kpt #: 289 total cpu time spent up to now is 59.5 secs Computing kpt #: 290 total cpu time spent up to now is 59.8 secs Computing kpt #: 291 total cpu time spent up to now is 60.0 secs Computing kpt #: 292 total cpu time spent up to now is 60.2 secs Computing kpt #: 293 total cpu time spent up to now is 60.4 secs Computing kpt #: 294 total cpu time spent up to now is 60.6 secs Computing kpt #: 295 total cpu time spent up to now is 60.7 secs Computing kpt #: 296 total cpu time spent up to now is 60.8 secs Computing kpt #: 297 total cpu time spent up to now is 61.0 secs Computing kpt #: 298 total cpu time spent up to now is 61.1 secs Computing kpt #: 299 total cpu time spent up to now is 61.3 secs Computing kpt #: 300 total cpu time spent up to now is 61.4 secs Computing kpt #: 301 total cpu time spent up to now is 61.6 secs Computing kpt #: 302 total cpu time spent up to now is 61.7 secs Computing kpt #: 303 total cpu time spent up to now is 62.0 secs Computing kpt #: 304 total cpu time spent up to now is 62.1 secs Computing kpt #: 305 total cpu time spent up to now is 62.4 secs Computing kpt #: 306 total cpu time spent up to now is 62.6 secs Computing kpt #: 307 total cpu time spent up to now is 62.8 secs Computing kpt #: 308 total cpu time spent up to now is 63.0 secs Computing kpt #: 309 total cpu time spent up to now is 63.2 secs Computing kpt #: 310 total cpu time spent up to now is 63.4 secs Computing kpt #: 311 total cpu time spent up to now is 63.6 secs Computing kpt #: 312 total cpu time spent up to now is 63.9 secs Computing kpt #: 313 total cpu time spent up to now is 64.2 secs Computing kpt #: 314 total cpu time spent up to now is 64.4 secs Computing kpt #: 315 total cpu time spent up to now is 64.7 secs Computing kpt #: 316 total cpu time spent up to now is 65.0 secs Computing kpt #: 317 total cpu time spent up to now is 65.3 secs Computing kpt #: 318 total cpu time spent up to now is 65.6 secs Computing kpt #: 319 total cpu time spent up to now is 66.0 secs Computing kpt #: 320 total cpu time spent up to now is 66.3 secs Computing kpt #: 321 total cpu time spent up to now is 66.7 secs Computing kpt #: 322 total cpu time spent up to now is 67.0 secs Computing kpt #: 323 total cpu time spent up to now is 67.3 secs Computing kpt #: 324 total cpu time spent up to now is 67.6 secs Computing kpt #: 325 total cpu time spent up to now is 67.9 secs Computing kpt #: 326 total cpu time spent up to now is 68.2 secs Computing kpt #: 327 total cpu time spent up to now is 68.6 secs Computing kpt #: 328 total cpu time spent up to now is 68.9 secs Computing kpt #: 329 total cpu time spent up to now is 69.0 secs Computing kpt #: 330 total cpu time spent up to now is 69.3 secs Computing kpt #: 331 total cpu time spent up to now is 69.5 secs Computing kpt #: 332 total cpu time spent up to now is 69.7 secs Computing kpt #: 333 total cpu time spent up to now is 69.9 secs Computing kpt #: 334 total cpu time spent up to now is 70.1 secs Computing kpt #: 335 total cpu time spent up to now is 70.3 secs Computing kpt #: 336 total cpu time spent up to now is 70.5 secs Computing kpt #: 337 total cpu time spent up to now is 70.8 secs Computing kpt #: 338 total cpu time spent up to now is 71.0 secs ethr = 3.57E-08, avg # of iterations = 19.8 total cpu time spent up to now is 71.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1647 PWs) bands (ev): 1.1936 1.1936 8.5166 8.5166 9.8549 9.8549 9.8549 9.8549 10.2767 10.2767 10.2862 10.2862 10.2862 10.2862 12.4505 12.4505 12.6072 12.6072 12.6072 12.6072 12.7146 12.7146 12.7146 12.7146 12.7765 12.7765 13.6390 13.6390 13.6390 13.6390 14.2063 14.2063 14.4314 14.4314 14.4872 14.4872 k = 0.0000 0.0114-0.0000 ( 1647 PWs) bands (ev): 1.1950 1.1950 8.5171 8.5171 9.8518 9.8518 9.8561 9.8561 10.2767 10.2767 10.2859 10.2859 10.2865 10.2865 12.4387 12.4387 12.5825 12.5825 12.5957 12.5957 12.7229 12.7229 12.7348 12.7348 12.7929 12.7929 13.6387 13.6387 13.6390 13.6390 14.2055 14.2055 14.4319 14.4319 14.4875 14.4878 k = 0.0000 0.0227-0.0000 ( 1647 PWs) bands (ev): 1.1992 1.1992 8.5187 8.5187 9.8424 9.8424 9.8596 9.8596 10.2764 10.2764 10.2850 10.2850 10.2873 10.2873 12.4071 12.4071 12.5325 12.5325 12.5735 12.5735 12.7287 12.7287 12.7795 12.7795 12.8372 12.8372 13.6378 13.6378 13.6391 13.6391 14.2031 14.2031 14.4332 14.4332 14.4883 14.4883 k = 0.0000 0.0341-0.0000 ( 1659 PWs) bands (ev): 1.2063 1.2063 8.5211 8.5211 9.8267 9.8267 9.8653 9.8653 10.2757 10.2757 10.2834 10.2834 10.2888 10.2888 12.3634 12.3634 12.4763 12.4763 12.5482 12.5482 12.7287 12.7287 12.8335 12.8335 12.8934 12.8934 13.6359 13.6359 13.6391 13.6391 14.1989 14.1989 14.4354 14.4354 14.4899 14.4900 k = 0.0000 0.0455-0.0000 ( 1663 PWs) bands (ev): 1.2161 1.2161 8.5246 8.5246 9.8051 9.8051 9.8734 9.8734 10.2739 10.2739 10.2808 10.2808 10.2914 10.2914 12.3139 12.3139 12.4188 12.4188 12.5199 12.5199 12.7260 12.7260 12.8912 12.8912 12.9531 12.9531 13.6334 13.6334 13.6393 13.6393 14.1934 14.1934 14.4386 14.4386 14.4925 14.4925 k = 0.0000 0.0568-0.0000 ( 1655 PWs) bands (ev): 1.2288 1.2288 8.5288 8.5288 9.7772 9.7772 9.8840 9.8840 10.2722 10.2722 10.2783 10.2783 10.2951 10.2951 12.2623 12.2623 12.3619 12.3619 12.4883 12.4883 12.7217 12.7217 12.9498 12.9498 13.0133 13.0133 13.6297 13.6297 13.6396 13.6396 14.1863 14.1863 14.4426 14.4426 14.4967 14.4969 k = 0.0000 0.0682-0.0000 ( 1663 PWs) bands (ev): 1.2442 1.2442 8.5333 8.5333 9.7432 9.7432 9.8967 9.8967 10.2694 10.2694 10.2747 10.2747 10.2997 10.2997 12.2105 12.2105 12.3062 12.3062 12.4537 12.4537 12.7160 12.7160 13.0079 13.0079 13.0723 13.0723 13.6247 13.6247 13.6398 13.6398 14.1777 14.1777 14.4469 14.4469 14.5031 14.5031 k = 0.0000 0.0795-0.0000 ( 1655 PWs) bands (ev): 1.2624 1.2624 8.5380 8.5380 9.7036 9.7036 9.9119 9.9119 10.2663 10.2663 10.2709 10.2709 10.3053 10.3053 12.1596 12.1596 12.2523 12.2523 12.4168 12.4168 12.7092 12.7092 13.0642 13.0642 13.1291 13.1291 13.6182 13.6182 13.6401 13.6401 14.1675 14.1675 14.4513 14.4513 14.5132 14.5132 k = 0.0000 0.0909-0.0000 ( 1655 PWs) bands (ev): 1.2833 1.2833 8.5424 8.5424 9.6585 9.6585 9.9291 9.9291 10.2621 10.2621 10.2659 10.2659 10.3117 10.3117 12.1102 12.1102 12.2004 12.2004 12.3786 12.3786 12.7014 12.7014 13.1177 13.1177 13.1826 13.1826 13.6101 13.6101 13.6405 13.6405 14.1558 14.1558 14.4551 14.4551 14.5278 14.5278 k = 0.0000 0.1023-0.0000 ( 1667 PWs) bands (ev): 1.3069 1.3069 8.5458 8.5458 9.6085 9.6085 9.9486 9.9486 10.2573 10.2573 10.2602 10.2602 10.3186 10.3186 12.0629 12.0629 12.1508 12.1508 12.3399 12.3399 12.6925 12.6925 13.1673 13.1673 13.2318 13.2318 13.6002 13.6002 13.6406 13.6406 14.1423 14.1423 14.4582 14.4582 14.5479 14.5479 k = 0.0000 0.1136-0.0000 ( 1667 PWs) bands (ev): 1.3333 1.3333 8.5476 8.5476 9.5548 9.5548 9.9702 9.9702 10.2517 10.2517 10.2536 10.2536 10.3267 10.3267 12.0178 12.0178 12.1036 12.1036 12.3018 12.3018 12.6827 12.6827 13.2123 13.2123 13.2761 13.2761 13.5885 13.5885 13.6409 13.6409 14.1275 14.1275 14.4606 14.4606 14.5744 14.5744 k = 0.0000 0.1250-0.0000 ( 1667 PWs) bands (ev): 1.3623 1.3623 8.5466 8.5466 9.4983 9.4983 9.9940 9.9940 10.2454 10.2454 10.2463 10.2463 10.3356 10.3356 11.9753 11.9753 12.0591 12.0591 12.2650 12.2650 12.6719 12.6719 13.2518 13.2518 13.3146 13.3146 13.5750 13.5750 13.6412 13.6412 14.1114 14.1114 14.4623 14.4623 14.6076 14.6076 k = 0.0000 0.1364-0.0000 ( 1663 PWs) bands (ev): 1.3939 1.3939 8.5414 8.5414 9.4409 9.4409 10.0199 10.0199 10.2381 10.2381 10.2383 10.2383 10.3453 10.3453 11.9356 11.9356 12.0173 12.0173 12.2302 12.2302 12.6602 12.6602 13.2854 13.2854 13.3469 13.3469 13.5597 13.5597 13.6414 13.6414 14.0938 14.0938 14.4636 14.4636 14.6480 14.6480 k = 0.0000 0.1477-0.0000 ( 1663 PWs) bands (ev): 1.4282 1.4282 8.5302 8.5302 9.3845 9.3845 10.0477 10.0477 10.2291 10.2291 10.2305 10.2305 10.3558 10.3558 11.8986 11.8986 11.9783 11.9783 12.1978 12.1978 12.6477 12.6477 13.3124 13.3124 13.3725 13.3725 13.5425 13.5425 13.6415 13.6415 14.0749 14.0749 14.4645 14.4645 14.6957 14.6957 k = 0.0000 0.1591-0.0000 ( 1659 PWs) bands (ev): 1.4649 1.4649 8.5108 8.5108 9.3320 9.3320 10.0776 10.0776 10.2191 10.2191 10.2220 10.2220 10.3670 10.3670 11.8645 11.8645 11.9421 11.9421 12.1682 12.1682 12.6343 12.6343 13.3329 13.3329 13.3914 13.3914 13.5235 13.5235 13.6412 13.6412 14.0547 14.0547 14.4653 14.4653 14.7509 14.7509 k = 0.0000 0.1705-0.0000 ( 1659 PWs) bands (ev): 1.5042 1.5042 8.4807 8.4807 9.2858 9.2858 10.1091 10.1091 10.2084 10.2084 10.2128 10.2128 10.3788 10.3788 11.8334 11.8334 11.9089 11.9089 12.1416 12.1416 12.6202 12.6202 13.3469 13.3469 13.4039 13.4039 13.5027 13.5027 13.6406 13.6406 14.0333 14.0333 14.4658 14.4658 14.8132 14.8132 k = 0.0000 0.1818-0.0000 ( 1659 PWs) bands (ev): 1.5459 1.5459 8.4381 8.4381 9.2483 9.2483 10.1419 10.1419 10.1967 10.1967 10.2033 10.2033 10.3913 10.3913 11.8053 11.8053 11.8786 11.8786 12.1182 12.1182 12.6053 12.6053 13.3547 13.3547 13.4103 13.4103 13.4803 13.4803 13.6395 13.6395 14.0109 14.0109 14.4663 14.4663 14.8825 14.8825 k = 0.0000 0.1932-0.0000 ( 1655 PWs) bands (ev): 1.5899 1.5899 8.3818 8.3818 9.2214 9.2214 10.1731 10.1731 10.1843 10.1843 10.1965 10.1965 10.4044 10.4044 11.7802 11.7802 11.8513 11.8513 12.0980 12.0980 12.5897 12.5897 13.3567 13.3567 13.4111 13.4111 13.4567 13.4567 13.6377 13.6377 13.9876 13.9876 14.4667 14.4667 14.9583 14.9583 k = 0.0000 0.2045-0.0000 ( 1659 PWs) bands (ev): 1.6363 1.6363 8.3120 8.3120 9.2051 9.2051 10.1711 10.1711 10.1763 10.1763 10.2185 10.2185 10.4180 10.4180 11.7578 11.7578 11.8269 11.8269 12.0808 12.0808 12.5735 12.5735 13.3534 13.3534 13.4067 13.4067 13.4310 13.4310 13.6351 13.6351 13.9635 13.9635 14.4670 14.4670 15.0400 15.0400 k = 0.0000 0.2159-0.0000 ( 1667 PWs) bands (ev): 1.6848 1.6848 8.2300 8.2300 9.1987 9.1987 10.1572 10.1572 10.1654 10.1654 10.2555 10.2555 10.4322 10.4322 11.7385 11.7385 11.8054 11.8054 12.0666 12.0666 12.5567 12.5567 13.3455 13.3455 13.3980 13.3980 13.4040 13.4040 13.6314 13.6314 13.9388 13.9388 14.4671 14.4671 15.1270 15.1270 k = 0.0000 0.2273-0.0000 ( 1667 PWs) bands (ev): 1.7355 1.7355 8.1377 8.1377 9.2011 9.2011 10.1427 10.1427 10.1529 10.1529 10.2950 10.2950 10.4468 10.4468 11.7221 11.7221 11.7869 11.7869 12.0553 12.0553 12.5395 12.5395 13.3336 13.3336 13.3758 13.3758 13.3853 13.3853 13.6265 13.6265 13.9142 13.9142 14.4673 14.4673 15.2189 15.2189 k = 0.0000 0.2386-0.0000 ( 1667 PWs) bands (ev): 1.7882 1.7882 8.0370 8.0370 9.2105 9.2105 10.1276 10.1276 10.1397 10.1397 10.3360 10.3360 10.4619 10.4619 11.7084 11.7084 11.7711 11.7711 12.0466 12.0466 12.5219 12.5219 13.3181 13.3181 13.3464 13.3464 13.3693 13.3693 13.6199 13.6199 13.8899 13.8899 14.4675 14.4675 15.3151 15.3151 k = 0.0000 0.2500-0.0000 ( 1671 PWs) bands (ev): 1.8427 1.8427 7.9298 7.9298 9.2256 9.2256 10.1121 10.1121 10.1259 10.1259 10.3782 10.3782 10.4774 10.4774 11.6974 11.6974 11.7581 11.7581 12.0400 12.0400 12.5039 12.5039 13.2995 13.2995 13.3160 13.3160 13.3504 13.3504 13.6114 13.6114 13.8664 13.8664 14.4677 14.4677 15.4151 15.4151 k = 0.0000 0.2614-0.0000 ( 1659 PWs) bands (ev): 1.8991 1.8991 7.8179 7.8179 9.2452 9.2452 10.0963 10.0963 10.1118 10.1118 10.4214 10.4214 10.4934 10.4934 11.6892 11.6892 11.7478 11.7478 12.0360 12.0360 12.4857 12.4857 13.2786 13.2786 13.2848 13.2848 13.3292 13.3292 13.6006 13.6006 13.8444 13.8444 14.4678 14.4678 15.5184 15.5184 k = 0.0000 0.2727-0.0000 ( 1659 PWs) bands (ev): 1.9570 1.9570 7.7025 7.7025 9.2681 9.2681 10.0803 10.0803 10.0974 10.0974 10.4649 10.4649 10.5102 10.5102 11.6832 11.6832 11.7398 11.7398 12.0339 12.0339 12.4672 12.4672 13.2527 13.2527 13.2555 13.2555 13.3059 13.3059 13.5867 13.5867 13.8242 13.8242 14.4679 14.4679 15.6246 15.6246 k = 0.0000 0.2841-0.0000 ( 1651 PWs) bands (ev): 2.0164 2.0164 7.5851 7.5851 9.2936 9.2936 10.0641 10.0641 10.0828 10.0828 10.5066 10.5066 10.5304 10.5304 11.6794 11.6794 11.7341 11.7341 12.0338 12.0338 12.4488 12.4488 13.2200 13.2200 13.2307 13.2307 13.2811 13.2811 13.5694 13.5694 13.8065 13.8065 14.4680 14.4680 15.7333 15.7333 k = 0.0000 0.2955-0.0000 ( 1651 PWs) bands (ev): 2.0770 2.0770 7.4663 7.4663 9.3211 9.3211 10.0480 10.0480 10.0682 10.0682 10.5356 10.5356 10.5632 10.5632 11.6777 11.6777 11.7305 11.7305 12.0350 12.0350 12.4302 12.4302 13.1867 13.1867 13.2046 13.2046 13.2549 13.2549 13.5487 13.5487 13.7914 13.7914 14.4682 14.4682 15.8441 15.8441 k = 0.0000 0.3068-0.0000 ( 1651 PWs) bands (ev): 2.1387 2.1387 7.3473 7.3473 9.3500 9.3500 10.0320 10.0320 10.0537 10.0537 10.5541 10.5541 10.6067 10.6067 11.6779 11.6779 11.7289 11.7289 12.0376 12.0376 12.4117 12.4117 13.1532 13.1532 13.1775 13.1775 13.2279 13.2279 13.5246 13.5246 13.7790 13.7790 14.4683 14.4683 15.9567 15.9567 k = 0.0000 0.3182-0.0000 ( 1659 PWs) bands (ev): 2.2011 2.2011 7.2288 7.2288 9.3798 9.3798 10.0163 10.0163 10.0394 10.0394 10.5707 10.5707 10.6522 10.6522 11.6796 11.6796 11.7289 11.7289 12.0414 12.0414 12.3933 12.3933 13.1196 13.1196 13.1497 13.1497 13.2002 13.2002 13.4975 13.4975 13.7690 13.7690 14.4683 14.4683 16.0707 16.0707 k = 0.0000 0.3295-0.0000 ( 1662 PWs) bands (ev): 2.2640 2.2640 7.1116 7.1116 9.4102 9.4102 10.0009 10.0009 10.0253 10.0253 10.5867 10.5867 10.6981 10.6981 11.6831 11.6831 11.7307 11.7307 12.0463 12.0463 12.3754 12.3754 13.0860 13.0860 13.1216 13.1216 13.1723 13.1723 13.4680 13.4680 13.7612 13.7612 14.4684 14.4684 16.1856 16.1856 k = 0.0000 0.3409-0.0000 ( 1662 PWs) bands (ev): 2.3271 2.3271 6.9964 6.9964 9.4406 9.4406 9.9860 9.9860 10.0116 10.0116 10.6023 10.6023 10.7438 10.7438 11.6880 11.6880 11.7340 11.7340 12.0519 12.0519 12.3578 12.3578 13.0527 13.0527 13.0935 13.0935 13.1443 13.1443 13.4369 13.4369 13.7552 13.7552 14.4685 14.4685 16.3012 16.3012 k = 0.0000 0.3523-0.0000 ( 1654 PWs) bands (ev): 2.3899 2.3899 6.8838 6.8838 9.4709 9.4709 9.9720 9.9720 9.9989 9.9989 10.6172 10.6172 10.7890 10.7890 11.6942 11.6942 11.7387 11.7387 12.0580 12.0580 12.3407 12.3407 13.0200 13.0200 13.0656 13.0656 13.1165 13.1165 13.4046 13.4046 13.7505 13.7505 14.4687 14.4687 16.4170 16.4170 k = 0.0000 0.3636-0.0000 ( 1654 PWs) bands (ev): 2.4521 2.4521 6.7747 6.7747 9.5005 9.5005 9.9584 9.9584 9.9863 9.9863 10.6318 10.6318 10.8332 10.8332 11.7012 11.7012 11.7442 11.7442 12.0647 12.0647 12.3243 12.3243 12.9881 12.9881 13.0382 13.0382 13.0894 13.0894 13.3717 13.3717 13.7470 13.7470 14.4687 14.4687 16.5324 16.5324 k = 0.0000 0.3750-0.0000 ( 1646 PWs) bands (ev): 2.5132 2.5132 6.6697 6.6697 9.5293 9.5293 9.9457 9.9457 9.9746 9.9746 10.6457 10.6457 10.8762 10.8762 11.7090 11.7090 11.7505 11.7505 12.0716 12.0716 12.3086 12.3086 12.9573 12.9573 13.0117 13.0117 13.0631 13.0631 13.3390 13.3390 13.7442 13.7442 14.4688 14.4688 16.6469 16.6469 k = 0.0000 0.3864-0.0000 ( 1646 PWs) bands (ev): 2.5727 2.5727 6.5696 6.5696 9.5568 9.5568 9.9337 9.9337 9.9635 9.9635 10.6589 10.6589 10.9176 10.9176 11.7171 11.7171 11.7574 11.7574 12.0787 12.0787 12.2938 12.2938 12.9276 12.9276 12.9862 12.9862 13.0378 13.0378 13.3065 13.3065 13.7421 13.7421 14.4689 14.4689 16.7597 16.7597 k = 0.0000 0.3977-0.0000 ( 1654 PWs) bands (ev): 2.6298 2.6298 6.4752 6.4752 9.5828 9.5828 9.9226 9.9226 9.9533 9.9533 10.6713 10.6713 10.9569 10.9569 11.7254 11.7254 11.7644 11.7644 12.0855 12.0855 12.2800 12.2800 12.8992 12.8992 12.9620 12.9620 13.0138 13.0138 13.2749 13.2749 13.7405 13.7405 14.4689 14.4689 16.8701 16.8701 k = 0.0000 0.4091-0.0000 ( 1654 PWs) bands (ev): 2.6840 2.6840 6.3872 6.3872 9.6070 9.6070 9.9125 9.9125 9.9439 9.9439 10.6827 10.6827 10.9938 10.9938 11.7338 11.7338 11.7717 11.7717 12.0924 12.0924 12.2672 12.2672 12.8730 12.8730 12.9394 12.9394 12.9915 12.9915 13.2449 13.2449 13.7393 13.7393 14.4690 14.4690 16.9769 16.9769 k = 0.0000 0.4205-0.0000 ( 1654 PWs) bands (ev): 2.7346 2.7346 6.3067 6.3067 9.6290 9.6290 9.9035 9.9035 9.9356 9.9356 10.6931 10.6931 11.0278 11.0278 11.7420 11.7420 11.7789 11.7789 12.0990 12.0990 12.2557 12.2557 12.8489 12.8489 12.9187 12.9187 12.9710 12.9710 13.2168 13.2168 13.7383 13.7383 14.4690 14.4690 17.0789 17.0789 k = 0.0000 0.4318-0.0000 ( 1646 PWs) bands (ev): 2.7807 2.7807 6.2343 6.2343 9.6488 9.6488 9.8956 9.8956 9.9282 9.9282 10.7026 10.7026 11.0585 11.0585 11.7498 11.7498 11.7857 11.7857 12.1051 12.1051 12.2455 12.2455 12.8272 12.8272 12.9004 12.9004 12.9529 12.9529 13.1911 13.1911 13.7377 13.7377 14.4691 14.4691 17.1745 17.1745 k = 0.0000 0.4432-0.0000 ( 1646 PWs) bands (ev): 2.8216 2.8216 6.1711 6.1711 9.6660 9.6660 9.8888 9.8888 9.9219 9.9219 10.7106 10.7106 11.0854 11.0854 11.7568 11.7568 11.7919 11.7919 12.1106 12.1106 12.2367 12.2367 12.8083 12.8083 12.8842 12.8842 12.9368 12.9368 13.1685 13.1685 13.7372 13.7372 14.4691 14.4691 17.2619 17.2619 k = 0.0000 0.4545-0.0000 ( 1654 PWs) bands (ev): 2.8564 2.8564 6.1179 6.1179 9.6803 9.6803 9.8830 9.8830 9.9165 9.9165 10.7172 10.7172 11.1081 11.1081 11.7628 11.7628 11.7972 11.7972 12.1153 12.1153 12.2293 12.2293 12.7923 12.7923 12.8706 12.8706 12.9233 12.9233 13.1492 13.1492 13.7368 13.7368 14.4688 14.4688 17.3387 17.3387 k = 0.0000 0.4659-0.0000 ( 1654 PWs) bands (ev): 2.8844 2.8844 6.0755 6.0755 9.6917 9.6917 9.8787 9.8787 9.9124 9.9124 10.7225 10.7225 11.1262 11.1262 11.7678 11.7678 11.8016 11.8016 12.1191 12.1191 12.2235 12.2235 12.7796 12.7796 12.8598 12.8598 12.9126 12.9126 13.1337 13.1337 13.7365 13.7365 14.4688 14.4688 17.4024 17.4024 k = 0.0000 0.4773-0.0000 ( 1654 PWs) bands (ev): 2.9050 2.9050 6.0447 6.0447 9.6999 9.6999 9.8755 9.8755 9.9095 9.9095 10.7263 10.7263 11.1394 11.1394 11.7714 11.7714 11.8049 11.8049 12.1220 12.1220 12.2193 12.2193 12.7704 12.7704 12.8519 12.8519 12.9048 12.9048 13.1224 13.1224 13.7363 13.7363 14.4689 14.4689 17.4505 17.4505 k = 0.0000 0.4886-0.0000 ( 1654 PWs) bands (ev): 2.9175 2.9175 6.0259 6.0259 9.7049 9.7049 9.8736 9.8736 9.9077 9.9077 10.7286 10.7286 11.1475 11.1475 11.7737 11.7737 11.8069 11.8069 12.1237 12.1237 12.2168 12.2168 12.7648 12.7648 12.8471 12.8471 12.9001 12.9001 13.1154 13.1154 13.7362 13.7362 14.4689 14.4689 17.4805 17.4805 k = 0.0000 0.5000-0.0000 ( 1654 PWs) bands (ev): 2.9218 2.9218 6.0197 6.0197 9.7065 9.7065 9.8730 9.8730 9.9071 9.9071 10.7294 10.7294 11.1501 11.1501 11.7745 11.7745 11.8076 11.8076 12.1243 12.1243 12.2160 12.2160 12.7629 12.7629 12.8455 12.8455 12.8985 12.8985 13.1131 13.1131 13.7362 13.7362 14.4689 14.4689 17.4907 17.4907 k = 0.0000 0.5000-0.0000 ( 1654 PWs) bands (ev): 2.9218 2.9218 6.0197 6.0197 9.7065 9.7065 9.8730 9.8730 9.9071 9.9071 10.7294 10.7294 11.1501 11.1501 11.7745 11.7745 11.8076 11.8076 12.1243 12.1243 12.2160 12.2160 12.7629 12.7629 12.8455 12.8455 12.8985 12.8985 13.1131 13.1131 13.7362 13.7362 14.4689 14.4689 17.4907 17.4907 k = 0.0114 0.5000-0.0000 ( 1654 PWs) bands (ev): 2.9228 2.9228 6.0210 6.0210 9.7074 9.7074 9.8713 9.8713 9.9056 9.9056 10.7297 10.7297 11.1508 11.1508 11.7731 11.7731 11.8062 11.8062 12.1264 12.1264 12.2153 12.2153 12.7532 12.7532 12.8518 12.8518 12.9034 12.9034 13.1132 13.1132 13.7356 13.7356 14.4672 14.4672 17.4767 17.4767 k = 0.0227 0.5000-0.0000 ( 1654 PWs) bands (ev): 2.9260 2.9260 6.0251 6.0251 9.7098 9.7098 9.8657 9.8657 9.9015 9.9015 10.7306 10.7306 11.1526 11.1526 11.7685 11.7685 11.8030 11.8030 12.1326 12.1326 12.2133 12.2133 12.7311 12.7311 12.8631 12.8631 12.9182 12.9182 13.1134 13.1134 13.7339 13.7339 14.4621 14.4621 17.4249 17.4249 k = 0.0341 0.5000-0.0000 ( 1650 PWs) bands (ev): 2.9313 2.9313 6.0319 6.0319 9.7141 9.7141 9.8549 9.8549 9.8963 9.8963 10.7321 10.7321 11.1558 11.1558 11.7594 11.7594 11.7998 11.7998 12.1420 12.1420 12.2103 12.2103 12.7044 12.7044 12.8732 12.8732 12.9415 12.9415 13.1137 13.1137 13.7310 13.7310 14.4538 14.4538 17.3369 17.3369 k = 0.0455 0.5000-0.0000 ( 1646 PWs) bands (ev): 2.9387 2.9387 6.0414 6.0414 9.7198 9.7198 9.8378 9.8378 9.8913 9.8913 10.7343 10.7343 11.1599 11.1599 11.7454 11.7454 11.7978 11.7978 12.1530 12.1530 12.2071 12.2071 12.6762 12.6762 12.8826 12.8826 12.9695 12.9695 13.1141 13.1141 13.7269 13.7269 14.4423 14.4423 17.2303 17.2303 k = 0.0568 0.5000-0.0000 ( 1646 PWs) bands (ev): 2.9481 2.9481 6.0536 6.0536 9.7271 9.7271 9.8143 9.8143 9.8866 9.8866 10.7368 10.7368 11.1650 11.1650 11.7273 11.7273 11.7970 11.7970 12.1630 12.1630 12.2056 12.2056 12.6477 12.6477 12.8924 12.8924 12.9997 12.9997 13.1144 13.1144 13.7217 13.7217 14.4277 14.4277 17.1157 17.1157 k = 0.0682 0.5000-0.0000 ( 1650 PWs) bands (ev): 2.9597 2.9597 6.0684 6.0684 9.7359 9.7359 9.7846 9.7846 9.8820 9.8820 10.7400 10.7400 11.1709 11.1709 11.7061 11.7061 11.7970 11.7970 12.1673 12.1673 12.2101 12.2101 12.6196 12.6196 12.9030 12.9030 13.0307 13.0307 13.1148 13.1148 13.7153 13.7153 14.4099 14.4099 16.9982 16.9982 k = 0.0795 0.5000-0.0000 ( 1654 PWs) bands (ev): 2.9733 2.9733 6.0859 6.0859 9.7455 9.7455 9.7502 9.7502 9.8772 9.8772 10.7437 10.7437 11.1775 11.1775 11.6827 11.6827 11.7975 11.7975 12.1642 12.1642 12.2219 12.2219 12.5923 12.5923 12.9146 12.9146 13.0620 13.0620 13.1152 13.1152 13.7078 13.7078 14.3892 14.3892 16.8803 16.8803 k = 0.0909 0.5000-0.0000 ( 1654 PWs) bands (ev): 2.9889 2.9889 6.1060 6.1060 9.7090 9.7090 9.7583 9.7583 9.8721 9.8721 10.7482 10.7482 11.1847 11.1847 11.6577 11.6577 11.7985 11.7985 12.1568 12.1568 12.2377 12.2377 12.5662 12.5662 12.9271 12.9271 13.0929 13.0929 13.1158 13.1158 13.6992 13.6992 14.3657 14.3657 16.7636 16.7636 k = 0.1023 0.5000-0.0000 ( 1646 PWs) bands (ev): 3.0065 3.0065 6.1287 6.1287 9.6638 9.6638 9.7718 9.7718 9.8666 9.8666 10.7534 10.7534 11.1923 11.1923 11.6317 11.6317 11.7997 11.7997 12.1475 12.1475 12.2550 12.2550 12.5416 12.5416 12.9404 12.9404 13.1131 13.1131 13.1265 13.1265 13.6897 13.6897 14.3397 14.3397 16.6492 16.6492 k = 0.1136 0.5000-0.0000 ( 1650 PWs) bands (ev): 3.0261 3.0261 6.1539 6.1539 9.6141 9.6141 9.7865 9.7865 9.8607 9.8607 10.7589 10.7589 11.2000 11.2000 11.6048 11.6048 11.8012 11.8012 12.1368 12.1368 12.2728 12.2728 12.5185 12.5185 12.9541 12.9541 13.1138 13.1138 13.1556 13.1556 13.6789 13.6789 14.3113 14.3113 16.5376 16.5376 k = 0.1250 0.5000-0.0000 ( 1648 PWs) bands (ev): 3.0477 3.0477 6.1815 6.1815 9.5601 9.5601 9.8022 9.8022 9.8544 9.8544 10.7653 10.7653 11.2075 11.2075 11.5774 11.5774 11.8030 11.8030 12.1258 12.1258 12.2904 12.2904 12.4974 12.4974 12.9686 12.9686 13.1130 13.1130 13.1851 13.1851 13.6671 13.6671 14.2807 14.2807 16.4295 16.4295 k = 0.1364 0.5000-0.0000 ( 1644 PWs) bands (ev): 3.0711 3.0711 6.2116 6.2116 9.5022 9.5022 9.8195 9.8195 9.8478 9.8478 10.7723 10.7723 11.2151 11.2151 11.5497 11.5497 11.8049 11.8049 12.1144 12.1144 12.3074 12.3074 12.4785 12.4785 12.9833 12.9833 13.1116 13.1116 13.2135 13.2135 13.6540 13.6540 14.2481 14.2481 16.3251 16.3251 k = 0.1477 0.5000-0.0000 ( 1644 PWs) bands (ev): 3.0964 3.0964 6.2441 6.2441 9.4406 9.4406 9.8372 9.8372 9.8414 9.8414 10.7795 10.7795 11.2223 11.2223 11.5217 11.5217 11.8071 11.8071 12.1026 12.1026 12.3232 12.3232 12.4623 12.4623 12.9981 12.9981 13.1096 13.1096 13.2409 13.2409 13.6399 13.6399 14.2137 14.2137 16.2248 16.2248 k = 0.1591 0.5000-0.0000 ( 1644 PWs) bands (ev): 3.1235 3.1235 6.2788 6.2788 9.3756 9.3756 9.8329 9.8329 9.8577 9.8577 10.7871 10.7871 11.2291 11.2291 11.4938 11.4938 11.8095 11.8095 12.0909 12.0909 12.3372 12.3372 12.4496 12.4496 13.0131 13.0131 13.1068 13.1068 13.2670 13.2670 13.6246 13.6246 14.1778 14.1778 16.1288 16.1288 k = 0.1705 0.5000-0.0000 ( 1636 PWs) bands (ev): 3.1523 3.1523 6.3158 6.3158 9.3074 9.3074 9.8252 9.8252 9.8783 9.8783 10.7956 10.7956 11.2352 11.2352 11.4660 11.4660 11.8121 11.8121 12.0795 12.0795 12.3485 12.3485 12.4413 12.4413 13.0280 13.0280 13.1031 13.1031 13.2917 13.2917 13.6083 13.6083 14.1405 14.1405 16.0372 16.0372 k = 0.1818 0.5000-0.0000 ( 1636 PWs) bands (ev): 3.1828 3.1828 6.3549 6.3549 9.2364 9.2364 9.8171 9.8171 9.8996 9.8996 10.8041 10.8041 11.2407 11.2407 11.4384 11.4384 11.8149 11.8149 12.0680 12.0680 12.3560 12.3560 12.4383 12.4383 13.0427 13.0427 13.0985 13.0985 13.3146 13.3146 13.5908 13.5908 14.1020 14.1020 15.9502 15.9502 k = 0.1932 0.5000-0.0000 ( 1640 PWs) bands (ev): 3.2149 3.2149 6.3960 6.3960 9.1629 9.1629 9.8088 9.8088 9.9217 9.9217 10.8129 10.8129 11.2453 11.2453 11.4112 11.4112 11.8179 11.8179 12.0568 12.0568 12.3595 12.3595 12.4411 12.4411 13.0572 13.0572 13.0929 13.0929 13.3357 13.3357 13.5720 13.5720 14.0625 14.0625 15.8677 15.8677 k = 0.2045 0.5000-0.0000 ( 1636 PWs) bands (ev): 3.2485 3.2485 6.4391 6.4391 9.0872 9.0872 9.8002 9.8002 9.9445 9.9445 10.8221 10.8221 11.2491 11.2491 11.3846 11.3846 11.8210 11.8210 12.0460 12.0460 12.3602 12.3602 12.4485 12.4485 13.0714 13.0714 13.0862 13.0862 13.3548 13.3548 13.5523 13.5523 14.0224 14.0224 15.7900 15.7900 k = 0.2159 0.5000-0.0000 ( 1640 PWs) bands (ev): 3.2835 3.2835 6.4840 6.4840 9.0094 9.0094 9.7914 9.7914 9.9676 9.9676 10.8317 10.8317 11.2518 11.2518 11.3585 11.3585 11.8243 11.8243 12.0356 12.0356 12.3601 12.3601 12.4586 12.4586 13.0781 13.0781 13.0852 13.0852 13.3716 13.3716 13.5315 13.5315 13.9816 13.9816 15.7169 15.7169 k = 0.2273 0.5000-0.0000 ( 1638 PWs) bands (ev): 3.3199 3.3199 6.5306 6.5306 8.9301 8.9301 9.7825 9.7825 9.9910 9.9910 10.8415 10.8415 11.2536 11.2536 11.3335 11.3335 11.8277 11.8277 12.0257 12.0257 12.3605 12.3605 12.4702 12.4702 13.0689 13.0689 13.0986 13.0986 13.3856 13.3856 13.5098 13.5098 13.9404 13.9404 15.6486 15.6486 k = 0.2386 0.5000-0.0000 ( 1634 PWs) bands (ev): 3.3575 3.3575 6.5787 6.5787 8.8494 8.8494 9.7735 9.7735 10.0144 10.0144 10.8515 10.8515 11.2542 11.2542 11.3094 11.3094 11.8313 11.8313 12.0162 12.0162 12.3622 12.3622 12.4823 12.4823 13.0585 13.0585 13.1114 13.1114 13.3963 13.3963 13.4881 13.4881 13.8991 13.8991 15.5849 15.5849 k = 0.2500 0.5000-0.0000 ( 1634 PWs) bands (ev): 3.3963 3.3963 6.6282 6.6282 8.7679 8.7679 9.7645 9.7645 10.0376 10.0376 10.8617 10.8617 11.2532 11.2532 11.2869 11.2869 11.8351 11.8351 12.0073 12.0073 12.3654 12.3654 12.4945 12.4945 13.0468 13.0468 13.1237 13.1237 13.4016 13.4016 13.4675 13.4675 13.8578 13.8578 15.5258 15.5258 k = 0.2614 0.5000-0.0000 ( 1634 PWs) bands (ev): 3.4360 3.4360 6.6789 6.6789 8.6856 8.6856 9.7555 9.7555 10.0605 10.0605 10.8721 10.8721 11.2493 11.2493 11.2676 11.2676 11.8389 11.8389 11.9989 11.9989 12.3706 12.3706 12.5064 12.5064 13.0338 13.0338 13.1354 13.1354 13.3972 13.3972 13.4527 13.4527 13.8166 13.8166 15.4713 15.4713 k = 0.2727 0.5000-0.0000 ( 1642 PWs) bands (ev): 3.4765 3.4765 6.7307 6.7307 8.6032 8.6032 9.7465 9.7465 10.0826 10.0826 10.8823 10.8823 11.2369 11.2369 11.2569 11.2569 11.8429 11.8429 11.9909 11.9909 12.3775 12.3775 12.5181 12.5181 13.0196 13.0196 13.1465 13.1465 13.3797 13.3797 13.4467 13.4467 13.7758 13.7758 15.4213 15.4213 k = 0.2841 0.5000-0.0000 ( 1650 PWs) bands (ev): 3.5177 3.5177 6.7833 6.7833 8.5207 8.5207 9.7376 9.7376 10.1039 10.1039 10.8927 10.8927 11.2196 11.2196 11.2521 11.2521 11.8469 11.8469 11.9835 11.9835 12.3864 12.3864 12.5294 12.5294 13.0041 13.0041 13.1569 13.1569 13.3535 13.3535 13.4452 13.4452 13.7354 13.7354 15.3755 15.3755 k = 0.2955 0.5000-0.0000 ( 1650 PWs) bands (ev): 3.5594 3.5594 6.8365 6.8365 8.4387 8.4387 9.7289 9.7289 10.1239 10.1239 10.9032 10.9032 11.2026 11.2026 11.2480 11.2480 11.8510 11.8510 11.9767 11.9767 12.3973 12.3973 12.5403 12.5403 12.9877 12.9877 13.1666 13.1666 13.3230 13.3230 13.4441 13.4441 13.6958 13.6958 15.3340 15.3340 k = 0.3068 0.5000-0.0000 ( 1648 PWs) bands (ev): 3.6015 3.6015 6.8900 6.8900 8.3576 8.3576 9.7204 9.7204 10.1426 10.1426 10.9136 10.9136 11.1872 11.1872 11.2438 11.2438 11.8551 11.8551 11.9706 11.9706 12.4098 12.4098 12.5507 12.5507 12.9704 12.9704 13.1752 13.1752 13.2899 13.2899 13.4418 13.4418 13.6572 13.6572 15.2966 15.2966 k = 0.3182 0.5000-0.0000 ( 1656 PWs) bands (ev): 3.6436 3.6436 6.9437 6.9437 8.2776 8.2776 9.7121 9.7121 10.1593 10.1593 10.9238 10.9238 11.1736 11.1736 11.2389 11.2389 11.8591 11.8591 11.9650 11.9650 12.4238 12.4238 12.5606 12.5606 12.9523 12.9523 13.1821 13.1821 13.2559 13.2559 13.4377 13.4377 13.6195 13.6195 15.2629 15.2629 k = 0.3295 0.5000-0.0000 ( 1648 PWs) bands (ev): 3.6855 3.6855 6.9971 6.9971 8.1993 8.1993 9.7041 9.7041 10.1741 10.1741 10.9340 10.9340 11.1623 11.1623 11.2340 11.2340 11.8634 11.8634 11.9600 11.9600 12.4393 12.4393 12.5701 12.5701 12.9335 12.9335 13.1836 13.1836 13.2253 13.2253 13.4317 13.4317 13.5832 13.5832 15.2330 15.2330 k = 0.3409 0.5000-0.0000 ( 1652 PWs) bands (ev): 3.7271 3.7271 7.0500 7.0500 8.1230 8.1230 9.6964 9.6964 10.1866 10.1866 10.9437 10.9437 11.1533 11.1533 11.2288 11.2288 11.8673 11.8673 11.9556 11.9556 12.4557 12.4557 12.5790 12.5790 12.9141 12.9141 13.1644 13.1644 13.2130 13.2130 13.4239 13.4239 13.5482 13.5482 15.2066 15.2066 k = 0.3523 0.5000-0.0000 ( 1652 PWs) bands (ev): 3.7680 3.7680 7.1020 7.1020 8.0492 8.0492 9.6890 9.6890 10.1967 10.1967 10.9531 10.9531 11.1467 11.1467 11.2234 11.2234 11.8711 11.8711 11.9518 11.9518 12.4732 12.4732 12.5875 12.5875 12.8943 12.8943 13.1294 13.1294 13.2154 13.2154 13.4142 13.4142 13.5149 13.5149 15.1833 15.1833 k = 0.3636 0.5000-0.0000 ( 1648 PWs) bands (ev): 3.8079 3.8079 7.1527 7.1527 7.9782 7.9782 9.6821 9.6821 10.2045 10.2045 10.9622 10.9622 11.1427 11.1427 11.2183 11.2183 11.8746 11.8746 11.9485 11.9485 12.4914 12.4914 12.5956 12.5956 12.8744 12.8744 13.0910 13.0910 13.2204 13.2204 13.4030 13.4030 13.4834 13.4834 15.1630 15.1630 k = 0.3750 0.5000-0.0000 ( 1642 PWs) bands (ev): 3.8466 3.8466 7.2018 7.2018 7.9106 7.9106 9.6756 9.6756 10.2098 10.2098 10.9708 10.9708 11.1409 11.1409 11.2131 11.2131 11.8780 11.8780 11.9459 11.9459 12.5100 12.5100 12.6033 12.6033 12.8543 12.8543 13.0520 13.0520 13.2257 13.2257 13.3905 13.3905 13.4540 13.4540 15.1455 15.1455 k = 0.3864 0.5000-0.0000 ( 1642 PWs) bands (ev): 3.8836 3.8836 7.2488 7.2488 7.8468 7.8468 9.6695 9.6695 10.2127 10.2127 10.9789 10.9789 11.1412 11.1412 11.2079 11.2079 11.8809 11.8809 11.9439 11.9439 12.5287 12.5287 12.6106 12.6106 12.8342 12.8342 13.0138 13.0138 13.2308 13.2308 13.3767 13.3767 13.4266 13.4266 15.1304 15.1304 k = 0.3977 0.5000-0.0000 ( 1642 PWs) bands (ev): 3.9187 3.9187 7.2933 7.2933 7.7871 7.7871 9.6639 9.6639 10.2136 10.2136 10.9864 10.9864 11.1433 11.1433 11.2030 11.2030 11.8835 11.8835 11.9424 11.9424 12.5472 12.5472 12.6176 12.6176 12.8143 12.8143 12.9771 12.9771 13.2354 13.2354 13.3621 13.3621 13.4016 13.4016 15.1175 15.1175 k = 0.4091 0.5000-0.0000 ( 1642 PWs) bands (ev): 3.9514 3.9514 7.3347 7.3347 7.7322 7.7322 9.6589 9.6589 10.2126 10.2126 10.9932 10.9932 11.1471 11.1471 11.1986 11.1986 11.8856 11.8856 11.9414 11.9414 12.5652 12.5652 12.6244 12.6244 12.7944 12.7944 12.9429 12.9429 13.2395 13.2395 13.3471 13.3471 13.3790 13.3790 15.1066 15.1066 k = 0.4205 0.5000-0.0000 ( 1642 PWs) bands (ev): 3.9814 3.9814 7.3726 7.3726 7.6825 7.6825 9.6543 9.6543 10.2103 10.2103 10.9994 10.9994 11.1521 11.1521 11.1945 11.1945 11.8873 11.8873 11.9409 11.9409 12.5822 12.5822 12.6310 12.6310 12.7748 12.7748 12.9117 12.9117 13.2433 13.2433 13.3321 13.3321 13.3589 13.3589 15.0975 15.0975 k = 0.4318 0.5000-0.0000 ( 1642 PWs) bands (ev): 4.0083 4.0083 7.4065 7.4065 7.6385 7.6385 9.6503 9.6503 10.2070 10.2070 11.0048 11.0048 11.1575 11.1575 11.1908 11.1908 11.8886 11.8886 11.9408 11.9408 12.5979 12.5979 12.6375 12.6375 12.7558 12.7558 12.8842 12.8842 13.2466 13.2466 13.3179 13.3179 13.3411 13.3411 15.0901 15.0901 k = 0.4432 0.5000-0.0000 ( 1640 PWs) bands (ev): 4.0318 4.0318 7.4359 7.4359 7.6007 7.6007 9.6469 9.6469 10.2033 10.2033 11.0095 11.0095 11.1631 11.1631 11.1877 11.1877 11.8896 11.8896 11.9410 11.9410 12.6119 12.6119 12.6442 12.6442 12.7375 12.7375 12.8609 12.8609 13.2494 13.2494 13.3052 13.3052 13.3255 13.3255 15.0840 15.0840 k = 0.4545 0.5000-0.0000 ( 1640 PWs) bands (ev): 4.0516 4.0516 7.4601 7.4601 7.5696 7.5696 9.6441 9.6441 10.1994 10.1994 11.0134 11.0134 11.1684 11.1684 11.1850 11.1850 11.8903 11.8903 11.9413 11.9413 12.6241 12.6241 12.6507 12.6507 12.7202 12.7202 12.8419 12.8419 13.2518 13.2518 13.2943 13.2943 13.3121 13.3121 15.0793 15.0793 k = 0.4659 0.5000-0.0000 ( 1648 PWs) bands (ev): 4.0673 4.0673 7.4782 7.4782 7.5462 7.5462 9.6419 9.6419 10.1959 10.1959 11.0164 11.0164 11.1728 11.1728 11.1829 11.1829 11.8907 11.8907 11.9416 11.9416 12.6345 12.6345 12.6568 12.6568 12.7043 12.7043 12.8272 12.8272 13.2537 13.2537 13.2857 13.2857 13.3009 13.3009 15.0757 15.0757 k = 0.4773 0.5000-0.0000 ( 1648 PWs) bands (ev): 4.0787 4.0787 7.4890 7.4890 7.5316 7.5316 9.6403 9.6403 10.1932 10.1932 11.0186 11.0186 11.1760 11.1760 11.1817 11.1817 11.8910 11.8910 11.9420 11.9420 12.6436 12.6436 12.6620 12.6620 12.6904 12.6904 12.8168 12.8168 13.2552 13.2552 13.2798 13.2798 13.2923 13.2923 15.0732 15.0733 k = 0.4886 0.5000-0.0000 ( 1648 PWs) bands (ev): 4.0856 4.0856 7.4921 7.4921 7.5263 7.5263 9.6394 9.6394 10.1914 10.1914 11.0200 11.0200 11.1775 11.1775 11.1816 11.1816 11.8911 11.8911 11.9422 11.9422 12.6514 12.6514 12.6657 12.6657 12.6789 12.6789 12.8107 12.8107 13.2562 13.2562 13.2764 13.2764 13.2868 13.2868 15.0724 15.0736 k = 0.5000 0.5000-0.0000 ( 1652 PWs) bands (ev): 4.0879 4.0879 7.4920 7.4920 7.5256 7.5256 9.6391 9.6391 10.1908 10.1908 11.0204 11.0204 11.1778 11.1778 11.1817 11.1817 11.8912 11.8912 11.9423 11.9423 12.6554 12.6554 12.6678 12.6678 12.6726 12.6726 12.8086 12.8086 13.2565 13.2565 13.2753 13.2753 13.2848 13.2848 15.0712 15.0716 k = 0.5000 0.5000-0.0000 ( 1652 PWs) bands (ev): 4.0879 4.0879 7.4920 7.4920 7.5256 7.5256 9.6391 9.6391 10.1908 10.1908 11.0204 11.0204 11.1778 11.1778 11.1817 11.1817 11.8912 11.8912 11.9423 11.9423 12.6554 12.6554 12.6678 12.6678 12.6726 12.6726 12.8086 12.8086 13.2565 13.2565 13.2753 13.2753 13.2848 13.2848 15.0709 15.0711 k = 0.4919 0.4919-0.0000 ( 1648 PWs) bands (ev): 4.0856 4.0856 7.4924 7.4924 7.5260 7.5260 9.6394 9.6394 10.1915 10.1915 11.0200 11.0200 11.1774 11.1774 11.1817 11.1817 11.8911 11.8911 11.9423 11.9423 12.6514 12.6514 12.6658 12.6658 12.6789 12.6789 12.8107 12.8107 13.2562 13.2562 13.2764 13.2764 13.2868 13.2868 15.0716 15.0738 k = 0.4839 0.4839-0.0000 ( 1644 PWs) bands (ev): 4.0786 4.0786 7.4933 7.4933 7.5274 7.5274 9.6404 9.6404 10.1932 10.1932 11.0187 11.0187 11.1748 11.1748 11.1830 11.1830 11.8899 11.8899 11.9431 11.9431 12.6439 12.6439 12.6625 12.6625 12.6899 12.6899 12.8167 12.8167 13.2552 13.2552 13.2798 13.2798 13.2926 13.2926 15.0710 15.0710 k = 0.4758 0.4758-0.0000 ( 1642 PWs) bands (ev): 4.0669 4.0669 7.4941 7.4941 7.5306 7.5306 9.6420 9.6420 10.1960 10.1960 11.0166 11.0166 11.1695 11.1695 11.1861 11.1861 11.8856 11.8856 11.9468 11.9468 12.6357 12.6357 12.6581 12.6581 12.7029 12.7029 12.8264 12.8264 13.2534 13.2534 13.2857 13.2857 13.3016 13.3016 15.0707 15.0707 k = 0.4677 0.4677-0.0000 ( 1642 PWs) bands (ev): 4.0506 4.0506 7.4943 7.4943 7.5363 7.5363 9.6442 9.6442 10.1993 10.1993 11.0138 11.0138 11.1619 11.1619 11.1908 11.1908 11.8765 11.8765 11.9551 11.9551 12.6269 12.6269 12.6535 12.6535 12.7174 12.7174 12.8394 12.8394 13.2508 13.2508 13.2942 13.2942 13.3135 13.3135 15.0703 15.0703 k = 0.4597 0.4597-0.0000 ( 1642 PWs) bands (ev): 4.0297 4.0297 7.4937 7.4937 7.5450 7.5450 9.6470 9.6470 10.2030 10.2030 11.0104 11.0104 11.1523 11.1523 11.1969 11.1969 11.8625 11.8625 11.9682 11.9682 12.6171 12.6171 12.6494 12.6494 12.7333 12.7333 12.8553 12.8553 13.2476 13.2476 13.3051 13.3051 13.3278 13.3278 15.0696 15.0696 k = 0.4516 0.4516-0.0000 ( 1648 PWs) bands (ev): 4.0043 4.0043 7.4927 7.4927 7.5566 7.5566 9.6505 9.6505 10.2065 10.2065 11.0066 11.0066 11.1409 11.1409 11.2040 11.2040 11.8441 11.8441 11.9854 11.9854 12.6058 12.6058 12.6467 12.6467 12.7505 12.7505 12.8735 12.8735 13.2436 13.2436 13.3182 13.3182 13.3444 13.3444 15.0688 15.0688 k = 0.4435 0.4435-0.0000 ( 1648 PWs) bands (ev): 3.9745 3.9745 7.4919 7.4919 7.5711 7.5711 9.6546 9.6546 10.2093 10.2093 11.0026 11.0026 11.1279 11.1279 11.2128 11.2128 11.8222 11.8222 12.0063 12.0063 12.5931 12.5931 12.6456 12.6456 12.7690 12.7690 12.8938 12.8938 13.2390 13.2390 13.3331 13.3331 13.3631 13.3631 15.0679 15.0679 k = 0.4355 0.4355-0.0000 ( 1644 PWs) bands (ev): 3.9403 3.9403 7.4917 7.4917 7.5882 7.5882 9.6593 9.6593 10.2110 10.2110 10.9986 10.9986 11.1135 11.1135 11.2229 11.2229 11.7972 11.7972 12.0302 12.0302 12.5790 12.5790 12.6463 12.6463 12.7890 12.7890 12.9157 12.9157 13.2337 13.2337 13.3495 13.3495 13.3836 13.3836 15.0668 15.0668 k = 0.4274 0.4274-0.0000 ( 1640 PWs) bands (ev): 3.9019 3.9019 7.4926 7.4926 7.6078 7.6078 9.6646 9.6646 10.2110 10.2110 10.9947 10.9947 11.0979 11.0979 11.2345 11.2345 11.7696 11.7696 12.0570 12.0570 12.5636 12.5636 12.6486 12.6486 12.8100 12.8100 12.9387 12.9387 13.2278 13.2278 13.3670 13.3670 13.4060 13.4060 15.0655 15.0655 k = 0.4194 0.4194-0.0000 ( 1644 PWs) bands (ev): 3.8594 3.8594 7.4951 7.4951 7.6297 7.6297 9.6705 9.6705 10.2091 10.2091 10.9911 10.9911 11.0813 11.0813 11.2473 11.2473 11.7396 11.7396 12.0860 12.0860 12.5471 12.5471 12.6525 12.6525 12.8323 12.8323 12.9624 12.9624 13.2212 13.2212 13.3850 13.3850 13.4298 13.4298 15.0639 15.0639 k = 0.4113 0.4113-0.0000 ( 1644 PWs) bands (ev): 3.8130 3.8130 7.4996 7.4996 7.6540 7.6540 9.6769 9.6769 10.2049 10.2049 10.9880 10.9880 11.0638 11.0638 11.2614 11.2614 11.7076 11.7076 12.1173 12.1173 12.5297 12.5297 12.6579 12.6579 12.8557 12.8557 12.9864 12.9864 13.2142 13.2142 13.4034 13.4034 13.4550 13.4550 15.0622 15.0622 k = 0.4032 0.4032-0.0000 ( 1648 PWs) bands (ev): 3.7628 3.7628 7.5064 7.5064 7.6806 7.6806 9.6839 9.6839 10.1980 10.1980 10.9855 10.9855 11.0455 11.0455 11.2764 11.2764 11.6739 11.6739 12.1504 12.1504 12.5111 12.5111 12.6648 12.6648 12.8802 12.8802 13.0103 13.0103 13.2067 13.2067 13.4218 13.4218 13.4815 13.4815 15.0602 15.0602 k = 0.3952 0.3952-0.0000 ( 1648 PWs) bands (ev): 3.7092 3.7092 7.5158 7.5158 7.7094 7.7094 9.6915 9.6915 10.1886 10.1886 10.9837 10.9837 11.0264 11.0264 11.2930 11.2930 11.6388 11.6388 12.1853 12.1853 12.4917 12.4917 12.6732 12.6732 12.9058 12.9058 13.0336 13.0336 13.1989 13.1989 13.4402 13.4402 13.5091 13.5091 15.0580 15.0580 k = 0.3871 0.3871-0.0000 ( 1644 PWs) bands (ev): 3.6523 3.6523 7.5280 7.5280 7.7403 7.7403 9.6997 9.6997 10.1764 10.1764 10.9826 10.9826 11.0068 11.0068 11.3111 11.3111 11.6024 11.6024 12.2216 12.2216 12.4715 12.4715 12.6831 12.6831 12.9324 12.9324 13.0560 13.0560 13.1909 13.1909 13.4584 13.4584 13.5376 13.5376 15.0556 15.0556 k = 0.3790 0.3790-0.0000 ( 1640 PWs) bands (ev): 3.5923 3.5923 7.5432 7.5432 7.7733 7.7733 9.7084 9.7084 10.1615 10.1615 10.9804 10.9804 10.9887 10.9887 11.3301 11.3301 11.5650 11.5650 12.2591 12.2591 12.4505 12.4505 12.6944 12.6944 12.9600 12.9600 13.0770 13.0770 13.1831 13.1831 13.4761 13.4761 13.5667 13.5667 15.0528 15.0528 k = 0.3710 0.3710-0.0000 ( 1640 PWs) bands (ev): 3.5297 3.5297 7.5615 7.5615 7.8084 7.8084 9.7176 9.7176 10.1439 10.1439 10.9636 10.9636 10.9856 10.9856 11.3501 11.3501 11.5269 11.5269 12.2971 12.2971 12.4289 12.4289 12.7070 12.7070 12.9884 12.9884 13.0957 13.0957 13.1762 13.1762 13.4934 13.4934 13.5964 13.5964 15.0497 15.0497 k = 0.3629 0.3629-0.0000 ( 1636 PWs) bands (ev): 3.4645 3.4645 7.5829 7.5829 7.8455 7.8455 9.7274 9.7274 10.1240 10.1240 10.9420 10.9420 10.9877 10.9877 11.3709 11.3709 11.4883 11.4883 12.3337 12.3337 12.4088 12.4088 12.7210 12.7210 13.0175 13.0175 13.1108 13.1108 13.1718 13.1718 13.5103 13.5103 13.6265 13.6265 15.0463 15.0463 k = 0.3548 0.3548-0.0000 ( 1636 PWs) bands (ev): 3.3971 3.3971 7.6075 7.6075 7.8844 7.8844 9.7376 9.7376 10.1018 10.1018 10.9195 10.9195 10.9914 10.9914 11.3915 11.3915 11.4505 11.4505 12.3555 12.3555 12.4029 12.4029 12.7363 12.7363 13.0471 13.0471 13.1192 13.1192 13.1730 13.1730 13.5265 13.5265 13.6569 13.6569 15.0425 15.0425 k = 0.3468 0.3468-0.0000 ( 1628 PWs) bands (ev): 3.3279 3.3279 7.6352 7.6352 7.9252 7.9252 9.7484 9.7484 10.0776 10.0776 10.8963 10.8963 10.9968 10.9968 11.3972 11.3972 11.4284 11.4284 12.3423 12.3423 12.4319 12.4319 12.7532 12.7532 13.0760 13.0760 13.1204 13.1204 13.1815 13.1815 13.5421 13.5421 13.6874 13.6874 15.0383 15.0383 k = 0.3387 0.3387-0.0000 ( 1632 PWs) bands (ev): 3.2570 3.2570 7.6660 7.6660 7.9677 7.9677 9.7595 9.7595 10.0517 10.0517 10.8722 10.8722 11.0032 11.0032 11.3634 11.3634 11.4463 11.4463 12.3174 12.3174 12.4716 12.4716 12.7711 12.7711 13.0975 13.0975 13.1238 13.1238 13.1946 13.1946 13.5569 13.5569 13.7179 13.7179 15.0336 15.0336 k = 0.3306 0.3306-0.0000 ( 1634 PWs) bands (ev): 3.1847 3.1847 7.6998 7.6998 8.0120 8.0120 9.7711 9.7711 10.0244 10.0244 10.8476 10.8476 11.0110 11.0110 11.3239 11.3239 11.4707 11.4707 12.2896 12.2896 12.5136 12.5136 12.7901 12.7901 13.0967 13.0967 13.1469 13.1469 13.2096 13.2096 13.5710 13.5710 13.7485 13.7485 15.0285 15.0285 k = 0.3226 0.3226-0.0000 ( 1626 PWs) bands (ev): 3.1113 3.1113 7.7364 7.7364 8.0579 8.0579 9.7833 9.7833 9.9960 9.9960 10.8224 10.8224 11.0204 11.0204 11.2838 11.2838 11.4969 11.4969 12.2603 12.2603 12.5566 12.5566 12.8106 12.8106 13.0881 13.0881 13.1764 13.1764 13.2260 13.2260 13.5843 13.5843 13.7789 13.7789 15.0229 15.0229 k = 0.3145 0.3145-0.0000 ( 1628 PWs) bands (ev): 3.0372 3.0372 7.7757 7.7757 8.1054 8.1054 9.7959 9.7959 9.9666 9.9666 10.7966 10.7966 11.0313 11.0313 11.2432 11.2432 11.5241 11.5241 12.2296 12.2296 12.6000 12.6000 12.8320 12.8320 13.0774 13.0774 13.2053 13.2053 13.2444 13.2444 13.5967 13.5967 13.8090 13.8090 15.0167 15.0167 k = 0.3065 0.3065-0.0000 ( 1628 PWs) bands (ev): 2.9624 2.9624 7.8176 7.8176 8.1544 8.1544 9.8089 9.8089 9.9368 9.9368 10.7703 10.7703 11.0437 11.0437 11.2027 11.2027 11.5522 11.5522 12.1979 12.1979 12.6436 12.6436 12.8544 12.8544 13.0659 13.0659 13.2303 13.2303 13.2672 13.2672 13.6081 13.6081 13.8389 13.8389 15.0099 15.0099 k = 0.2984 0.2984-0.0000 ( 1632 PWs) bands (ev): 2.8874 2.8874 7.8617 7.8617 8.2047 8.2047 9.8222 9.8222 9.9068 9.9068 10.7436 10.7436 11.0574 11.0574 11.1624 11.1624 11.5812 11.5812 12.1655 12.1655 12.6873 12.6873 12.8778 12.8778 13.0539 13.0539 13.2498 13.2498 13.2955 13.2955 13.6186 13.6186 13.8685 13.8685 15.0025 15.0025 k = 0.2903 0.2903-0.0000 ( 1632 PWs) bands (ev): 2.8123 2.8123 7.9078 7.9078 8.2564 8.2564 9.8358 9.8358 9.8770 9.8770 10.7166 10.7166 11.0726 11.0726 11.1225 11.1225 11.6109 11.6109 12.1326 12.1326 12.7308 12.7308 12.9022 12.9022 13.0418 13.0418 13.2655 13.2655 13.3275 13.3275 13.6282 13.6282 13.8977 13.8977 14.9945 14.9945 k = 0.2823 0.2823-0.0000 ( 1634 PWs) bands (ev): 2.7373 2.7373 7.9557 7.9557 8.3093 8.3093 9.8436 9.8436 9.8537 9.8537 10.6893 10.6893 11.0797 11.0797 11.0925 11.0925 11.6414 11.6414 12.0992 12.0992 12.7742 12.7742 12.9272 12.9272 13.0299 13.0299 13.2794 13.2794 13.3611 13.3611 13.6367 13.6367 13.9265 13.9265 14.9857 14.9857 k = 0.2742 0.2742-0.0000 ( 1632 PWs) bands (ev): 2.6626 2.6626 8.0050 8.0050 8.3633 8.3633 9.8173 9.8173 9.8655 9.8655 10.6619 10.6619 11.0424 11.0424 11.1091 11.1091 11.6724 11.6724 12.0660 12.0660 12.8171 12.8171 12.9524 12.9524 13.0187 13.0187 13.2921 13.2921 13.3957 13.3957 13.6443 13.6443 13.9547 13.9547 14.9763 14.9763 k = 0.2661 0.2661-0.0000 ( 1632 PWs) bands (ev): 2.5885 2.5885 8.0554 8.0554 8.4184 8.4184 9.7895 9.7895 9.8803 9.8803 10.6345 10.6345 11.0036 11.0036 11.1291 11.1291 11.7040 11.7040 12.0327 12.0327 12.8595 12.8595 12.9746 12.9746 13.0112 13.0112 13.3040 13.3040 13.4308 13.4308 13.6508 13.6508 13.9825 13.9825 14.9661 14.9661 k = 0.2581 0.2581-0.0000 ( 1632 PWs) bands (ev): 2.5151 2.5151 8.1064 8.1064 8.4743 8.4743 9.7630 9.7630 9.8954 9.8954 10.6071 10.6071 10.9653 10.9653 11.1507 11.1507 11.7361 11.7361 11.9999 11.9999 12.9012 12.9012 12.9807 12.9807 13.0204 13.0204 13.3151 13.3151 13.4662 13.4662 13.6563 13.6563 14.0097 14.0097 14.9550 14.9550 k = 0.2500 0.2500-0.0000 ( 1644 PWs) bands (ev): 2.4426 2.4426 8.1575 8.1575 8.5311 8.5311 9.7382 9.7382 9.9109 9.9109 10.5798 10.5798 10.9274 10.9274 11.1739 11.1739 11.7685 11.7685 11.9675 11.9675 12.9420 12.9420 12.9722 12.9722 13.0448 13.0448 13.3255 13.3255 13.5014 13.5014 13.6605 13.6605 14.0362 14.0362 14.9431 14.9431 k = 0.2419 0.2419-0.0000 ( 1640 PWs) bands (ev): 2.3711 2.3711 8.2083 8.2083 8.5886 8.5886 9.7157 9.7157 9.9267 9.9267 10.5528 10.5528 10.8903 10.8903 11.1986 11.1986 11.8013 11.8013 11.9363 11.9363 12.9608 12.9608 12.9819 12.9819 13.0730 13.0730 13.3354 13.3354 13.5368 13.5368 13.6640 13.6640 14.0622 14.0622 14.9304 14.9304 k = 0.2339 0.2339-0.0000 ( 1640 PWs) bands (ev): 2.3009 2.3009 8.2583 8.2583 8.6467 8.6467 9.6956 9.6956 9.9428 9.9428 10.5262 10.5262 10.8539 10.8539 11.2249 11.2249 11.8344 11.8344 11.9062 11.9062 12.9488 12.9488 13.0206 13.0206 13.1024 13.1024 13.3444 13.3444 13.5720 13.5720 13.6667 13.6667 14.0876 14.0876 14.9168 14.9168 k = 0.2258 0.2258-0.0000 ( 1640 PWs) bands (ev): 2.2320 2.2320 8.3067 8.3067 8.7052 8.7052 9.6785 9.6785 9.9590 9.9590 10.5000 10.5000 10.8183 10.8183 11.2528 11.2528 11.8675 11.8675 11.8779 11.8779 12.9366 12.9366 13.0580 13.0580 13.1325 13.1325 13.3527 13.3527 13.6065 13.6065 13.6689 13.6689 14.1123 14.1123 14.9023 14.9023 k = 0.2177 0.2177-0.0000 ( 1644 PWs) bands (ev): 2.1645 2.1645 8.3529 8.3529 8.7640 8.7640 9.6649 9.6649 9.9753 9.9753 10.4744 10.4744 10.7835 10.7835 11.2820 11.2820 11.8510 11.8510 11.9012 11.9012 12.9244 12.9244 13.0939 13.0939 13.1629 13.1629 13.3601 13.3601 13.6389 13.6389 13.6719 13.6719 14.1363 14.1363 14.8869 14.8869 k = 0.2097 0.2097-0.0000 ( 1650 PWs) bands (ev): 2.0987 2.0987 8.3963 8.3963 8.8230 8.8230 9.6551 9.6551 9.9919 9.9919 10.4496 10.4496 10.7495 10.7495 11.3127 11.3127 11.8265 11.8265 11.9346 11.9346 12.9123 12.9123 13.1280 13.1280 13.1932 13.1932 13.3665 13.3665 13.6595 13.6595 13.6856 13.6856 14.1595 14.1595 14.8706 14.8706 k = 0.2016 0.2016-0.0000 ( 1646 PWs) bands (ev): 2.0346 2.0346 8.4363 8.4363 8.8821 8.8821 9.6495 9.6495 10.0085 10.0085 10.4256 10.4256 10.7165 10.7165 11.3453 11.3453 11.8045 11.8045 11.9681 11.9681 12.9005 12.9005 13.1604 13.1604 13.2240 13.2240 13.3721 13.3721 13.6629 13.6629 13.7153 13.7153 14.1821 14.1821 14.8534 14.8534 k = 0.1935 0.1935-0.0000 ( 1654 PWs) bands (ev): 1.9723 1.9723 8.4721 8.4721 8.9411 8.9411 9.6484 9.6484 10.0251 10.0251 10.4026 10.4026 10.6843 10.6843 11.3789 11.3789 11.7855 11.7855 12.0015 12.0015 12.8887 12.8887 13.1904 13.1904 13.2544 13.2544 13.3763 13.3763 13.6622 13.6622 13.7479 13.7479 14.2038 14.2038 14.8352 14.8352 k = 0.1855 0.1855-0.0000 ( 1646 PWs) bands (ev): 1.9119 1.9119 8.5035 8.5035 8.9999 8.9999 9.6519 9.6519 10.0417 10.0417 10.3808 10.3808 10.6534 10.6534 11.4141 11.4141 11.7698 11.7698 12.0350 12.0350 12.8774 12.8774 13.2182 13.2182 13.2845 13.2845 13.3795 13.3795 13.6604 13.6604 13.7806 13.7806 14.2249 14.2249 14.8163 14.8163 k = 0.1774 0.1774-0.0000 ( 1647 PWs) bands (ev): 1.8535 1.8535 8.5300 8.5300 9.0582 9.0582 9.6597 9.6597 10.0582 10.0582 10.3601 10.3601 10.6234 10.6234 11.4507 11.4507 11.7576 11.7576 12.0682 12.0682 12.8663 12.8663 13.2432 13.2432 13.3134 13.3134 13.3817 13.3817 13.6579 13.6579 13.8128 13.8128 14.2451 14.2451 14.7966 14.7966 k = 0.1694 0.1694-0.0000 ( 1647 PWs) bands (ev): 1.7973 1.7973 8.5514 8.5514 9.1160 9.1160 9.6716 9.6716 10.0746 10.0746 10.3409 10.3409 10.5944 10.5944 11.4886 11.4886 11.7497 11.7497 12.1011 12.1011 12.8556 12.8556 13.2653 13.2653 13.3398 13.3398 13.3842 13.3842 13.6551 13.6551 13.8443 13.8443 14.2645 14.2645 14.7761 14.7761 k = 0.1613 0.1613-0.0000 ( 1647 PWs) bands (ev): 1.7431 1.7431 8.5680 8.5680 9.1730 9.1730 9.6871 9.6871 10.0908 10.0908 10.3233 10.3233 10.5666 10.5666 11.5277 11.5277 11.7463 11.7463 12.1337 12.1337 12.8451 12.8451 13.2840 13.2840 13.3576 13.3576 13.3923 13.3923 13.6522 13.6522 13.8751 13.8751 14.2831 14.2831 14.7551 14.7551 k = 0.1532 0.1532-0.0000 ( 1651 PWs) bands (ev): 1.6913 1.6913 8.5800 8.5800 9.2291 9.2291 9.7053 9.7053 10.1067 10.1067 10.3075 10.3075 10.5400 10.5400 11.5678 11.5678 11.7480 11.7480 12.1658 12.1658 12.8351 12.8351 13.2990 13.2990 13.3606 13.3606 13.4118 13.4118 13.6491 13.6491 13.9050 13.9050 14.3008 14.3008 14.7335 14.7335 k = 0.1452 0.1452-0.0000 ( 1655 PWs) bands (ev): 1.6417 1.6417 8.5876 8.5876 9.2841 9.2841 9.7250 9.7250 10.1223 10.1223 10.2932 10.2932 10.5145 10.5145 11.6089 11.6089 11.7556 11.7556 12.1976 12.1976 12.8254 12.8254 13.3101 13.3101 13.3553 13.3553 13.4363 13.4363 13.6463 13.6463 13.9339 13.9339 14.3176 14.3176 14.7115 14.7115 k = 0.1371 0.1371-0.0000 ( 1655 PWs) bands (ev): 1.5945 1.5945 8.5916 8.5916 9.3377 9.3377 9.7457 9.7457 10.1376 10.1376 10.2815 10.2815 10.4902 10.4902 11.6501 11.6501 11.7695 11.7695 12.2289 12.2289 12.8162 12.8162 13.3164 13.3164 13.3457 13.3457 13.4611 13.4611 13.6438 13.6438 13.9618 13.9618 14.3335 14.3335 14.6893 14.6893 k = 0.1290 0.1290-0.0000 ( 1661 PWs) bands (ev): 1.5497 1.5497 8.5925 8.5925 9.3899 9.3899 9.7661 9.7661 10.1524 10.1524 10.2720 10.2720 10.4671 10.4671 11.6912 11.6912 11.7904 11.7904 12.2596 12.2596 12.8072 12.8072 13.3172 13.3172 13.3331 13.3331 13.4849 13.4849 13.6415 13.6415 13.9886 13.9886 14.3486 14.3486 14.6670 14.6670 k = 0.1210 0.1210-0.0000 ( 1661 PWs) bands (ev): 1.5074 1.5074 8.5909 8.5909 9.4403 9.4403 9.7852 9.7852 10.1667 10.1667 10.2649 10.2649 10.4454 10.4454 11.7320 11.7320 11.8191 11.8191 12.2896 12.2896 12.7988 12.7988 13.3095 13.3095 13.3204 13.3204 13.5075 13.5075 13.6397 13.6397 14.0142 14.0142 14.3627 14.3627 14.6448 14.6448 k = 0.1129 0.1129-0.0000 ( 1657 PWs) bands (ev): 1.4676 1.4676 8.5873 8.5873 9.4888 9.4888 9.8025 9.8025 10.1805 10.1805 10.2601 10.2601 10.4249 10.4249 11.7728 11.7728 11.8554 11.8554 12.3189 12.3189 12.7908 12.7908 13.2914 13.2914 13.3091 13.3091 13.5286 13.5286 13.6384 13.6384 14.0384 14.0384 14.3759 14.3759 14.6230 14.6230 k = 0.1048 0.1048-0.0000 ( 1657 PWs) bands (ev): 1.4304 1.4304 8.5821 8.5821 9.5352 9.5352 9.8172 9.8172 10.1937 10.1937 10.2575 10.2575 10.4057 10.4057 11.8144 11.8144 11.8977 11.8977 12.3474 12.3474 12.7834 12.7834 13.2677 13.2677 13.2941 13.2941 13.5478 13.5478 13.6374 13.6374 14.0613 14.0613 14.3881 14.3881 14.6018 14.6018 k = 0.0968 0.0968-0.0000 ( 1661 PWs) bands (ev): 1.3957 1.3957 8.5759 8.5759 9.5791 9.5791 9.8293 9.8293 10.2059 10.2059 10.2569 10.2569 10.3877 10.3877 11.8582 11.8582 11.9449 11.9449 12.3748 12.3748 12.7764 12.7764 13.2399 13.2399 13.2736 13.2736 13.5651 13.5651 13.6367 13.6367 14.0827 14.0827 14.3993 14.3993 14.5814 14.5814 k = 0.0887 0.0887-0.0000 ( 1661 PWs) bands (ev): 1.3638 1.3638 8.5690 8.5690 9.6205 9.6205 9.8387 9.8387 10.2176 10.2176 10.2578 10.2578 10.3713 10.3713 11.9050 11.9050 11.9958 11.9958 12.4013 12.4013 12.7699 12.7699 13.2082 13.2082 13.2476 13.2476 13.5804 13.5804 13.6363 13.6363 14.1025 14.1025 14.4094 14.4094 14.5621 14.5621 k = 0.0806 0.0806-0.0000 ( 1663 PWs) bands (ev): 1.3345 1.3345 8.5619 8.5619 9.6592 9.6592 9.8457 9.8457 10.2285 10.2285 10.2599 10.2599 10.3562 10.3562 11.9551 11.9551 12.0494 12.0494 12.4265 12.4265 12.7639 12.7639 13.1726 13.1726 13.2161 13.2161 13.5937 13.5937 13.6362 13.6362 14.1207 14.1207 14.4183 14.4183 14.5442 14.5442 k = 0.0726 0.0726-0.0000 ( 1663 PWs) bands (ev): 1.3079 1.3079 8.5546 8.5546 9.6949 9.6949 9.8505 9.8505 10.2385 10.2385 10.2628 10.2628 10.3425 10.3425 12.0086 12.0086 12.1053 12.1053 12.4503 12.4503 12.7584 12.7584 13.1331 13.1331 13.1795 13.1795 13.6049 13.6049 13.6362 13.6362 14.1372 14.1372 14.4259 14.4259 14.5281 14.5281 k = 0.0645 0.0645-0.0000 ( 1663 PWs) bands (ev): 1.2840 1.2840 8.5476 8.5476 9.7274 9.7274 9.8536 9.8536 10.2476 10.2476 10.2662 10.2662 10.3302 10.3302 12.0649 12.0649 12.1633 12.1633 12.4727 12.4727 12.7534 12.7534 13.0900 13.0900 13.1384 13.1384 13.6141 13.6141 13.6365 13.6365 14.1519 14.1519 14.4319 14.4319 14.5142 14.5142 k = 0.0565 0.0565-0.0000 ( 1661 PWs) bands (ev): 1.2629 1.2629 8.5409 8.5409 9.7565 9.7565 9.8552 9.8552 10.2555 10.2555 10.2697 10.2697 10.3192 10.3192 12.1233 12.1233 12.2229 12.2229 12.4935 12.4935 12.7489 12.7489 13.0433 13.0433 13.0933 13.0933 13.6216 13.6216 13.6369 13.6369 14.1649 14.1649 14.4362 14.4362 14.5030 14.5030 k = 0.0484 0.0484-0.0000 ( 1661 PWs) bands (ev): 1.2446 1.2446 8.5349 8.5349 9.7822 9.7822 9.8560 9.8560 10.2623 10.2623 10.2731 10.2731 10.3099 10.3099 12.1832 12.1832 12.2838 12.2838 12.5126 12.5126 12.7449 12.7449 12.9933 12.9933 13.0449 13.0449 13.6273 13.6273 13.6373 13.6373 14.1760 14.1760 14.4384 14.4384 14.4949 14.4949 k = 0.0403 0.0403-0.0000 ( 1669 PWs) bands (ev): 1.2290 1.2290 8.5293 8.5293 9.8039 9.8039 9.8560 9.8560 10.2677 10.2677 10.2764 10.2764 10.3018 10.3018 12.2433 12.2433 12.3458 12.3458 12.5300 12.5300 12.7413 12.7413 12.9408 12.9408 12.9937 12.9937 13.6315 13.6315 13.6376 13.6376 14.1853 14.1853 14.4384 14.4384 14.4899 14.4899 k = 0.0323 0.0323-0.0000 ( 1667 PWs) bands (ev): 1.2163 1.2163 8.5248 8.5248 9.8220 9.8220 9.8558 9.8558 10.2719 10.2719 10.2795 10.2795 10.2955 10.2955 12.3022 12.3022 12.4083 12.4083 12.5461 12.5461 12.7380 12.7380 12.8866 12.8866 12.9405 12.9405 13.6345 13.6345 13.6381 13.6381 14.1929 14.1929 14.4370 14.4370 14.4875 14.4875 k = 0.0242 0.0242-0.0000 ( 1661 PWs) bands (ev): 1.2064 1.2064 8.5212 8.5212 9.8363 9.8363 9.8555 9.8555 10.2747 10.2747 10.2820 10.2820 10.2911 10.2911 12.3575 12.3575 12.4703 12.4703 12.5616 12.5616 12.7349 12.7349 12.8321 12.8321 12.8865 12.8865 13.6367 13.6367 13.6384 13.6384 14.1988 14.1988 14.4350 14.4350 14.4868 14.4868 k = 0.0161 0.0161-0.0000 ( 1647 PWs) bands (ev): 1.1993 1.1993 8.5187 8.5187 9.8466 9.8466 9.8553 9.8553 10.2762 10.2762 10.2844 10.2844 10.2881 10.2881 12.4051 12.4051 12.5300 12.5300 12.5781 12.5781 12.7308 12.7308 12.7797 12.7797 12.8346 12.8346 13.6381 13.6381 13.6388 13.6388 14.2031 14.2031 14.4332 14.4332 14.4869 14.4869 k = 0.0081 0.0081-0.0000 ( 1647 PWs) bands (ev): 1.1950 1.1950 8.5171 8.5171 9.8528 9.8528 9.8550 9.8550 10.2767 10.2767 10.2858 10.2858 10.2867 10.2867 12.4385 12.4385 12.5819 12.5819 12.5963 12.5963 12.7230 12.7230 12.7352 12.7352 12.7927 12.7927 13.6387 13.6387 13.6389 13.6389 14.2055 14.2055 14.4319 14.4319 14.4871 14.4879 k = 0.0000 0.0000 0.0000 ( 1647 PWs) bands (ev): 1.1936 1.1936 8.5166 8.5166 9.8549 9.8549 9.8549 9.8549 10.2767 10.2767 10.2862 10.2862 10.2862 10.2862 12.4505 12.4505 12.6072 12.6072 12.6072 12.6072 12.7146 12.7146 12.7146 12.7146 12.7765 12.7765 13.6390 13.6390 13.6390 13.6390 14.2063 14.2063 14.4314 14.4314 14.4872 14.4872 k = 0.0000 0.0000 0.0000 ( 1647 PWs) bands (ev): 1.1936 1.1936 8.5166 8.5166 9.8549 9.8549 9.8549 9.8549 10.2767 10.2767 10.2862 10.2862 10.2862 10.2862 12.4505 12.4505 12.6072 12.6072 12.6072 12.6072 12.7146 12.7146 12.7146 12.7146 12.7765 12.7765 13.6390 13.6390 13.6390 13.6390 14.2063 14.2063 14.4314 14.4314 14.4872 14.4872 k = 0.0066 0.0066 0.0066 ( 1647 PWs) bands (ev): 1.1950 1.1950 8.5171 8.5171 9.8539 9.8539 9.8539 9.8539 10.2766 10.2766 10.2858 10.2858 10.2867 10.2867 12.4384 12.4384 12.5831 12.5831 12.5950 12.5950 12.7259 12.7259 12.7323 12.7323 12.7927 12.7927 13.6388 13.6388 13.6388 13.6388 14.2055 14.2055 14.4319 14.4319 14.4870 14.4870 k = 0.0132 0.0132 0.0132 ( 1647 PWs) bands (ev): 1.1993 1.1993 8.5187 8.5187 9.8509 9.8509 9.8510 9.8510 10.2759 10.2759 10.2848 10.2848 10.2880 10.2880 12.4040 12.4040 12.5390 12.5390 12.5675 12.5675 12.7511 12.7511 12.7604 12.7604 12.8364 12.8364 13.6384 13.6384 13.6384 13.6384 14.2031 14.2031 14.4331 14.4331 14.4867 14.4870 k = 0.0197 0.0197 0.0197 ( 1659 PWs) bands (ev): 1.2063 1.2063 8.5213 8.5213 9.8457 9.8457 9.8461 9.8461 10.2730 10.2730 10.2847 10.2847 10.2900 10.2900 12.3520 12.3520 12.4950 12.4950 12.5341 12.5341 12.7803 12.7803 12.7890 12.7890 12.8926 12.8926 13.6376 13.6376 13.6376 13.6376 14.1988 14.1988 14.4348 14.4348 14.4864 14.4866 k = 0.0263 0.0263 0.0263 ( 1668 PWs) bands (ev): 1.2162 1.2162 8.5248 8.5248 9.8386 9.8386 9.8392 9.8392 10.2672 10.2672 10.2864 10.2864 10.2929 10.2929 12.2887 12.2887 12.4539 12.4539 12.4986 12.4986 12.8099 12.8099 12.8186 12.8186 12.9518 12.9518 13.6363 13.6363 13.6364 13.6364 14.1928 14.1928 14.4365 14.4366 14.4872 14.4873 k = 0.0329 0.0329 0.0329 ( 1674 PWs) bands (ev): 1.2289 1.2289 8.5294 8.5294 9.8294 9.8294 9.8305 9.8305 10.2592 10.2592 10.2897 10.2897 10.2971 10.2971 12.2192 12.2192 12.4151 12.4151 12.4626 12.4626 12.8384 12.8384 12.8483 12.8483 13.0107 13.0107 13.6345 13.6345 13.6346 13.6346 14.1849 14.1849 14.4372 14.4372 14.4899 14.4899 k = 0.0395 0.0395 0.0395 ( 1662 PWs) bands (ev): 1.2445 1.2445 8.5353 8.5353 9.8184 9.8184 9.8200 9.8200 10.2490 10.2490 10.2942 10.2942 10.3024 10.3024 12.1468 12.1468 12.3781 12.3781 12.4268 12.4268 12.8651 12.8651 12.8772 12.8772 13.0678 13.0678 13.6320 13.6320 13.6323 13.6323 14.1753 14.1753 14.4365 14.4365 14.4961 14.4961 k = 0.0461 0.0461 0.0461 ( 1662 PWs) bands (ev): 1.2628 1.2628 8.5417 8.5417 9.8051 9.8051 9.8074 9.8074 10.2363 10.2363 10.2996 10.2996 10.3084 10.3084 12.0733 12.0733 12.3425 12.3425 12.3916 12.3916 12.8895 12.8895 12.9045 12.9045 13.1225 13.1225 13.6287 13.6287 13.6292 13.6292 14.1636 14.1636 14.4339 14.4339 14.5058 14.5058 k = 0.0526 0.0526 0.0526 ( 1668 PWs) bands (ev): 1.2839 1.2839 8.5488 8.5488 9.7896 9.7896 9.7927 9.7927 10.2212 10.2212 10.3060 10.3060 10.3156 10.3156 12.0002 12.0002 12.3084 12.3084 12.3574 12.3574 12.9113 12.9113 12.9297 12.9297 13.1744 13.1744 13.6243 13.6243 13.6251 13.6251 14.1494 14.1494 14.4297 14.4297 14.5192 14.5192 k = 0.0592 0.0592 0.0592 ( 1668 PWs) bands (ev): 1.3077 1.3077 8.5566 8.5566 9.7722 9.7722 9.7762 9.7762 10.2037 10.2037 10.3137 10.3137 10.3238 10.3238 11.9282 11.9282 12.2760 12.2760 12.3243 12.3243 12.9305 12.9305 12.9523 12.9523 13.2232 13.2232 13.6188 13.6188 13.6199 13.6199 14.1331 14.1331 14.4246 14.4246 14.5359 14.5359 k = 0.0658 0.0658 0.0658 ( 1662 PWs) bands (ev): 1.3343 1.3343 8.5653 8.5653 9.7529 9.7529 9.7581 9.7581 10.1836 10.1836 10.3225 10.3225 10.3332 10.3332 11.8581 11.8581 12.2451 12.2451 12.2926 12.2926 12.9468 12.9468 12.9722 12.9722 13.2690 13.2690 13.6120 13.6120 13.6135 13.6135 14.1143 14.1143 14.4189 14.4189 14.5558 14.5558 k = 0.0724 0.0724 0.0724 ( 1662 PWs) bands (ev): 1.3636 1.3636 8.5741 8.5741 9.7316 9.7316 9.7380 9.7380 10.1610 10.1610 10.3325 10.3325 10.3438 10.3438 11.7907 11.7907 12.2160 12.2160 12.2622 12.2622 12.9605 12.9605 12.9893 12.9893 13.3117 13.3117 13.6039 13.6039 13.6057 13.6057 14.0930 14.0930 14.4129 14.4129 14.5784 14.5784 k = 0.0789 0.0789 0.0789 ( 1662 PWs) bands (ev): 1.3955 1.3955 8.5832 8.5832 9.7085 9.7085 9.7162 9.7162 10.1358 10.1358 10.3436 10.3436 10.3554 10.3554 11.7264 11.7264 12.1887 12.1887 12.2334 12.2334 12.9714 12.9714 13.0035 13.0035 13.3512 13.3512 13.5944 13.5944 13.5965 13.5965 14.0693 14.0693 14.4069 14.4069 14.6036 14.6036 k = 0.0855 0.0855 0.0855 ( 1656 PWs) bands (ev): 1.4301 1.4301 8.5922 8.5922 9.6837 9.6837 9.6929 9.6929 10.1081 10.1081 10.3560 10.3560 10.3682 10.3682 11.6658 11.6658 12.1631 12.1631 12.2060 12.2060 12.9799 12.9799 13.0150 13.0150 13.3877 13.3877 13.5836 13.5836 13.5861 13.5861 14.0430 14.0430 14.4010 14.4010 14.6310 14.6310 k = 0.0921 0.0921 0.0921 ( 1656 PWs) bands (ev): 1.4673 1.4673 8.6011 8.6011 9.6574 9.6574 9.6681 9.6681 10.0781 10.0781 10.3694 10.3694 10.3821 10.3821 11.6090 11.6090 12.1391 12.1391 12.1800 12.1800 12.9860 12.9860 13.0238 13.0238 13.4210 13.4210 13.5714 13.5714 13.5742 13.5742 14.0144 14.0144 14.3952 14.3952 14.6603 14.6603 k = 0.0987 0.0987 0.0987 ( 1656 PWs) bands (ev): 1.5071 1.5071 8.6094 8.6094 9.6297 9.6297 9.6421 9.6421 10.0461 10.0461 10.3840 10.3840 10.3970 10.3970 11.5564 11.5564 12.1166 12.1166 12.1554 12.1554 12.9898 12.9898 13.0300 13.0300 13.4512 13.4512 13.5579 13.5579 13.5613 13.5613 13.9835 13.9835 14.3897 14.3897 14.6911 14.6911 k = 0.1053 0.1053 0.1053 ( 1662 PWs) bands (ev): 1.5494 1.5494 8.6168 8.6168 9.6009 9.6009 9.6150 9.6150 10.0125 10.0125 10.3996 10.3996 10.4129 10.4129 11.5077 11.5077 12.0956 12.0956 12.1321 12.1321 12.9916 12.9916 13.0339 13.0339 13.4776 13.4776 13.5431 13.5431 13.5480 13.5480 13.9504 13.9504 14.3844 14.3844 14.7230 14.7230 k = 0.1118 0.1118 0.1118 ( 1662 PWs) bands (ev): 1.5942 1.5942 8.6229 8.6229 9.5711 9.5711 9.5869 9.5869 9.9778 9.9778 10.4162 10.4162 10.4298 10.4298 11.4638 11.4638 12.0759 12.0759 12.1099 12.1099 12.9917 12.9917 13.0358 13.0358 13.4977 13.4977 13.5274 13.5274 13.5376 13.5376 13.9152 13.9152 14.3794 14.3794 14.7555 14.7555 k = 0.1184 0.1184 0.1184 ( 1659 PWs) bands (ev): 1.6414 1.6414 8.6273 8.6273 9.5405 9.5405 9.5580 9.5580 9.9429 9.9429 10.4338 10.4338 10.4476 10.4476 11.4243 11.4243 12.0574 12.0574 12.0888 12.0888 12.9903 12.9903 13.0359 13.0359 13.5000 13.5000 13.5108 13.5108 13.5416 13.5416 13.8780 13.8780 14.3746 14.3746 14.7883 14.7883 k = 0.1250 0.1250 0.1250 ( 1659 PWs) bands (ev): 1.6910 1.6910 8.6294 8.6294 9.5093 9.5093 9.5286 9.5286 9.9084 9.9084 10.4522 10.4522 10.4662 10.4662 11.3889 11.3889 12.0398 12.0398 12.0685 12.0685 12.9876 12.9876 13.0344 13.0344 13.4868 13.4868 13.4935 13.4935 13.5579 13.5579 13.8390 13.8390 14.3701 14.3701 14.8209 14.8209 k = 0.1316 0.1316 0.1316 ( 1659 PWs) bands (ev): 1.7430 1.7430 8.6287 8.6287 9.4777 9.4777 9.4987 9.4987 9.8753 9.8753 10.4714 10.4714 10.4855 10.4855 11.3576 11.3576 12.0231 12.0231 12.0489 12.0489 12.9838 12.9838 13.0316 13.0316 13.4696 13.4696 13.4757 13.4757 13.5756 13.5756 13.7984 13.7984 14.3657 14.3657 14.8528 14.8528 k = 0.1382 0.1382 0.1382 ( 1662 PWs) bands (ev): 1.7971 1.7971 8.6246 8.6246 9.4458 9.4458 9.4685 9.4685 9.8446 9.8446 10.4914 10.4914 10.5056 10.5056 11.3299 11.3299 12.0069 12.0069 12.0298 12.0298 12.9792 12.9792 13.0277 13.0277 13.4508 13.4508 13.4574 13.4574 13.5923 13.5923 13.7563 13.7563 14.3615 14.3615 14.8837 14.8837 k = 0.1447 0.1447 0.1447 ( 1656 PWs) bands (ev): 1.8535 1.8535 8.6165 8.6165 9.4140 9.4140 9.4382 9.4382 9.8171 9.8171 10.5120 10.5120 10.5262 10.5262 11.3059 11.3059 11.9912 11.9912 12.0111 12.0111 12.9741 12.9741 13.0231 13.0231 13.4316 13.4316 13.4391 13.4391 13.6077 13.6077 13.7129 13.7129 14.3574 14.3574 14.9133 14.9133 k = 0.1513 0.1513 0.1513 ( 1650 PWs) bands (ev): 1.9120 1.9120 8.6040 8.6040 9.3822 9.3822 9.4080 9.4080 9.7939 9.7939 10.5332 10.5332 10.5475 10.5475 11.2851 11.2851 11.9757 11.9757 11.9926 11.9926 12.9686 12.9686 13.0179 13.0179 13.4117 13.4117 13.4205 13.4205 13.6216 13.6216 13.6682 13.6682 14.3535 14.3535 14.9414 14.9414 k = 0.1579 0.1579 0.1579 ( 1659 PWs) bands (ev): 1.9725 1.9725 8.5867 8.5867 9.3507 9.3507 9.3780 9.3780 9.7756 9.7756 10.5548 10.5548 10.5690 10.5690 11.2671 11.2671 11.9599 11.9599 11.9738 11.9738 12.9627 12.9627 13.0123 13.0123 13.3915 13.3915 13.4019 13.4019 13.6222 13.6222 13.6345 13.6345 14.3497 14.3497 14.9673 14.9673 k = 0.1645 0.1645 0.1645 ( 1659 PWs) bands (ev): 2.0350 2.0350 8.5646 8.5646 9.3196 9.3196 9.3484 9.3484 9.7628 9.7628 10.5767 10.5767 10.5909 10.5909 11.2518 11.2518 11.9442 11.9442 11.9550 11.9550 12.9571 12.9571 13.0067 13.0067 13.3714 13.3714 13.3835 13.3835 13.5757 13.5757 13.6457 13.6457 14.3459 14.3459 14.9910 14.9910 k = 0.1711 0.1711 0.1711 ( 1659 PWs) bands (ev): 2.0993 2.0993 8.5375 8.5375 9.2892 9.2892 9.3192 9.3192 9.7560 9.7560 10.5988 10.5988 10.6130 10.6130 11.2389 11.2389 11.9281 11.9281 11.9359 11.9359 12.9517 12.9517 13.0014 13.0014 13.3514 13.3514 13.3655 13.3655 13.5282 13.5282 13.6559 13.6559 14.3423 14.3423 15.0122 15.0122 k = 0.1776 0.1776 0.1776 ( 1656 PWs) bands (ev): 2.1654 2.1654 8.5058 8.5058 9.2595 9.2595 9.2908 9.2908 9.7552 9.7552 10.6211 10.6211 10.6351 10.6351 11.2281 11.2281 11.9117 11.9117 11.9165 11.9165 12.9468 12.9468 12.9964 12.9964 13.3314 13.3314 13.3478 13.3478 13.4800 13.4800 13.6652 13.6652 14.3387 14.3387 15.0307 15.0307 k = 0.1842 0.1842 0.1842 ( 1650 PWs) bands (ev): 2.2331 2.2331 8.4699 8.4699 9.2306 9.2306 9.2631 9.2631 9.7601 9.7601 10.6432 10.6432 10.6571 10.6571 11.2193 11.2193 11.8947 11.8947 11.8967 11.8967 12.9424 12.9424 12.9920 12.9920 13.3120 13.3120 13.3310 13.3310 13.4314 13.4314 13.6735 13.6735 14.3352 14.3352 15.0463 15.0463 k = 0.1908 0.1908 0.1908 ( 1650 PWs) bands (ev): 2.3023 2.3023 8.4305 8.4305 9.2027 9.2027 9.2363 9.2363 9.7707 9.7707 10.6651 10.6651 10.6788 10.6788 11.2121 11.2121 11.8764 11.8764 11.8772 11.8772 12.9385 12.9385 12.9882 12.9882 13.2924 13.2924 13.3146 13.3146 13.3827 13.3827 13.6809 13.6809 14.3318 14.3318 15.0589 15.0589 k = 0.1974 0.1974 0.1974 ( 1650 PWs) bands (ev): 2.3729 2.3729 8.3881 8.3881 9.1758 9.1758 9.2104 9.2104 9.7863 9.7863 10.6866 10.6866 10.7001 10.7001 11.2066 11.2066 11.8557 11.8557 11.8591 11.8591 12.9354 12.9354 12.9852 12.9852 13.2727 13.2727 13.2989 13.2989 13.3343 13.3343 13.6876 13.6876 14.3284 14.3284 15.0682 15.0682 k = 0.2039 0.2039 0.2039 ( 1650 PWs) bands (ev): 2.4447 2.4447 8.3436 8.3436 9.1501 9.1501 9.1857 9.1857 9.8067 9.8067 10.7075 10.7075 10.7207 10.7207 11.2025 11.2025 11.8346 11.8346 11.8405 11.8405 12.9328 12.9328 12.9829 12.9829 13.2510 13.2510 13.2841 13.2841 13.2883 13.2883 13.6936 13.6936 14.3250 14.3250 15.0744 15.0744 k = 0.2105 0.2105 0.2105 ( 1644 PWs) bands (ev): 2.5177 2.5177 8.2976 8.2976 9.1257 9.1257 9.1622 9.1622 9.8313 9.8313 10.7276 10.7276 10.7404 10.7404 11.1998 11.1998 11.8135 11.8135 11.8216 11.8216 12.9310 12.9310 12.9814 12.9814 13.2198 13.2198 13.2527 13.2527 13.2703 13.2703 13.6990 13.6990 14.3217 14.3217 15.0773 15.0773 k = 0.2171 0.2171 0.2171 ( 1647 PWs) bands (ev): 2.5915 2.5915 8.2509 8.2509 9.1026 9.1026 9.1400 9.1400 9.8596 9.8596 10.7465 10.7465 10.7590 10.7590 11.1980 11.1980 11.7922 11.7922 11.8024 11.8024 12.9296 12.9296 12.9803 12.9803 13.1758 13.1758 13.2308 13.2308 13.2575 13.2575 13.7037 13.7037 14.3184 14.3184 15.0767 15.0767 k = 0.2237 0.2237 0.2237 ( 1641 PWs) bands (ev): 2.6662 2.6662 8.2040 8.2040 9.0810 9.0810 9.1191 9.1191 9.8913 9.8913 10.7641 10.7641 10.7761 10.7761 11.1978 11.1978 11.7713 11.7713 11.7834 11.7834 12.9286 12.9286 12.9794 12.9794 13.1285 13.1285 13.2141 13.2141 13.2461 13.2461 13.7080 13.7080 14.3152 14.3152 15.0728 15.0728 k = 0.2303 0.2303 0.2303 ( 1646 PWs) bands (ev): 2.7414 2.7414 8.1577 8.1577 9.0608 9.0608 9.0996 9.0996 9.9255 9.9255 10.7800 10.7800 10.7915 10.7915 11.1988 11.1988 11.7508 11.7508 11.7645 11.7645 12.9279 12.9279 12.9776 12.9776 13.0812 13.0812 13.1995 13.1995 13.2360 13.2360 13.7118 13.7118 14.3120 14.3120 15.0654 15.0654 k = 0.2368 0.2368 0.2368 ( 1640 PWs) bands (ev): 2.8170 2.8170 8.1125 8.1125 9.0421 9.0421 9.0817 9.0817 9.9622 9.9622 10.7941 10.7941 10.8051 10.8051 11.2010 11.2010 11.7313 11.7313 11.7463 11.7463 12.9272 12.9272 12.9721 12.9721 13.0377 13.0377 13.1869 13.1869 13.2274 13.2274 13.7151 13.7151 14.3088 14.3088 15.0547 15.0547 k = 0.2434 0.2434 0.2434 ( 1640 PWs) bands (ev): 2.8927 2.8927 8.0689 8.0689 9.0251 9.0251 9.0652 9.0652 10.0008 10.0008 10.8058 10.8058 10.8161 10.8161 11.2043 11.2043 11.7128 11.7128 11.7290 11.7290 12.9264 12.9264 12.9530 12.9530 13.0076 13.0076 13.1764 13.1764 13.2204 13.2204 13.7179 13.7179 14.3057 14.3057 15.0406 15.0406 k = 0.2500 0.2500 0.2500 ( 1637 PWs) bands (ev): 2.9684 2.9684 8.0275 8.0275 9.0097 9.0097 9.0504 9.0504 10.0409 10.0409 10.8149 10.8149 10.8245 10.8245 11.2089 11.2089 11.6960 11.6960 11.7131 11.7131 12.9149 12.9149 12.9253 12.9253 12.9961 12.9961 13.1682 13.1682 13.2153 13.2153 13.7202 13.7202 14.3025 14.3025 15.0234 15.0234 k = 0.2566 0.2566 0.2566 ( 1649 PWs) bands (ev): 3.0438 3.0438 7.9886 7.9886 8.9960 8.9960 9.0372 9.0372 10.0820 10.0820 10.8209 10.8209 10.8297 10.8297 11.2148 11.2148 11.6809 11.6809 11.6987 11.6987 12.8696 12.8696 12.9236 12.9236 12.9909 12.9909 13.1621 13.1621 13.2115 13.2115 13.7219 13.7219 14.2994 14.2994 15.0030 15.0030 k = 0.2632 0.2632 0.2632 ( 1649 PWs) bands (ev): 3.1186 3.1186 7.9527 7.9527 8.9841 8.9841 9.0257 9.0257 10.1239 10.1239 10.8237 10.8237 10.8317 10.8317 11.2224 11.2224 11.6682 11.6682 11.6864 11.6864 12.8227 12.8227 12.9213 12.9213 12.9865 12.9865 13.1589 13.1589 13.2097 13.2097 13.7232 13.7232 14.2963 14.2963 14.9796 14.9796 k = 0.2697 0.2697 0.2697 ( 1649 PWs) bands (ev): 3.1926 3.1926 7.9202 7.9202 8.9739 8.9739 9.0160 9.0160 10.1660 10.1660 10.8230 10.8230 10.8302 10.8302 11.2318 11.2318 11.6579 11.6579 11.6765 11.6765 12.7756 12.7756 12.9184 12.9184 12.9812 12.9812 13.1584 13.1584 13.2096 13.2096 13.7239 13.7239 14.2932 14.2932 14.9535 14.9535 k = 0.2763 0.2763 0.2763 ( 1649 PWs) bands (ev): 3.2656 3.2656 7.8915 7.8915 8.9656 8.9656 9.0079 9.0079 10.2079 10.2079 10.8187 10.8187 10.8250 10.8250 11.2431 11.2431 11.6502 11.6502 11.6690 11.6690 12.7288 12.7288 12.9148 12.9148 12.9748 12.9748 13.1604 13.1604 13.2110 13.2110 13.7239 13.7239 14.2902 14.2902 14.9247 14.9247 k = 0.2829 0.2829 0.2829 ( 1637 PWs) bands (ev): 3.3371 3.3371 7.8671 7.8671 8.9591 8.9591 9.0017 9.0017 10.2492 10.2492 10.8108 10.8108 10.8163 10.8163 11.2567 11.2567 11.6452 11.6452 11.6643 11.6643 12.6829 12.6829 12.9107 12.9107 12.9674 12.9674 13.1645 13.1645 13.2138 13.2138 13.7234 13.7234 14.2874 14.2874 14.8936 14.8936 k = 0.2895 0.2895 0.2895 ( 1637 PWs) bands (ev): 3.4071 3.4071 7.8471 7.8471 8.9544 8.9544 8.9973 8.9973 10.2893 10.2893 10.7990 10.7990 10.8038 10.8038 11.2728 11.2728 11.6429 11.6429 11.6620 11.6620 12.6372 12.6372 12.9058 12.9058 12.9589 12.9589 13.1702 13.1702 13.2176 13.2176 13.7221 13.7221 14.2844 14.2844 14.8603 14.8603 k = 0.2961 0.2961 0.2961 ( 1643 PWs) bands (ev): 3.4751 3.4751 7.8320 7.8320 8.9515 8.9515 8.9946 8.9946 10.3276 10.3276 10.7836 10.7836 10.7878 10.7878 11.2918 11.2918 11.6429 11.6429 11.6623 11.6623 12.5923 12.5923 12.9005 12.9005 12.9497 12.9497 13.1770 13.1770 13.2221 13.2221 13.7199 13.7199 14.2815 14.2815 14.8250 14.8250 k = 0.3026 0.3026 0.3026 ( 1643 PWs) bands (ev): 3.5410 3.5410 7.8220 7.8220 8.9504 8.9504 8.9937 8.9937 10.3636 10.3636 10.7650 10.7650 10.7686 10.7686 11.3140 11.3140 11.6453 11.6453 11.6649 11.6649 12.5483 12.5483 12.8948 12.8948 12.9401 12.9401 13.1846 13.1846 13.2272 13.2272 13.7169 13.7169 14.2786 14.2786 14.7884 14.7884 k = 0.3092 0.3092 0.3092 ( 1643 PWs) bands (ev): 3.6043 3.6043 7.8174 7.8174 8.9513 8.9513 8.9947 8.9947 10.3969 10.3969 10.7432 10.7432 10.7465 10.7465 11.3398 11.3398 11.6496 11.6496 11.6696 11.6696 12.5052 12.5052 12.8889 12.8889 12.9302 12.9302 13.1925 13.1925 13.2325 13.2325 13.7128 13.7128 14.2758 14.2758 14.7506 14.7506 k = 0.3158 0.3158 0.3158 ( 1640 PWs) bands (ev): 3.6650 3.6650 7.8185 7.8185 8.9540 8.9540 8.9975 8.9975 10.4271 10.4271 10.7188 10.7188 10.7218 10.7218 11.3694 11.3694 11.6558 11.6558 11.6762 11.6762 12.4634 12.4634 12.8826 12.8826 12.9200 12.9200 13.2003 13.2003 13.2376 13.2376 13.7076 13.7076 14.2729 14.2729 14.7120 14.7120 k = 0.3224 0.3224 0.3224 ( 1640 PWs) bands (ev): 3.7227 3.7227 7.8254 7.8254 8.9586 8.9586 9.0021 9.0021 10.4536 10.4536 10.6918 10.6918 10.6947 10.6947 11.4030 11.4030 11.6631 11.6631 11.6841 11.6841 12.4224 12.4224 12.8764 12.8764 12.9099 12.9099 13.2078 13.2078 13.2424 13.2424 13.7011 13.7011 14.2701 14.2701 14.6730 14.6730 k = 0.3289 0.3289 0.3289 ( 1634 PWs) bands (ev): 3.7772 3.7772 7.8383 7.8383 8.9649 8.9649 9.0084 9.0084 10.4761 10.4761 10.6628 10.6628 10.6657 10.6657 11.4407 11.4407 11.6717 11.6717 11.6934 11.6934 12.3824 12.3824 12.8702 12.8702 12.9001 12.9001 13.2148 13.2148 13.2466 13.2466 13.6932 13.6932 14.2673 14.2673 14.6339 14.6339 k = 0.3355 0.3355 0.3355 ( 1634 PWs) bands (ev): 3.8285 3.8285 7.8574 7.8574 8.9731 8.9731 9.0166 9.0166 10.4943 10.4943 10.6321 10.6321 10.6350 10.6350 11.4825 11.4825 11.6809 11.6809 11.7034 11.7034 12.3437 12.3437 12.8639 12.8639 12.8901 12.8901 13.2209 13.2209 13.2500 13.2500 13.6838 13.6838 14.2645 14.2645 14.5952 14.5952 k = 0.3421 0.3421 0.3421 ( 1640 PWs) bands (ev): 3.8763 3.8763 7.8826 7.8826 8.9831 8.9831 9.0264 9.0264 10.5078 10.5078 10.6002 10.6002 10.6028 10.6028 11.5281 11.5281 11.6904 11.6904 11.7141 11.7141 12.3061 12.3061 12.8574 12.8574 12.8801 12.8801 13.2258 13.2258 13.2521 13.2521 13.6727 13.6727 14.2617 14.2617 14.5573 14.5573 k = 0.3487 0.3487 0.3487 ( 1640 PWs) bands (ev): 3.9206 3.9206 7.9139 7.9139 8.9949 8.9949 9.0380 9.0380 10.5159 10.5159 10.5684 10.5684 10.5694 10.5694 11.5774 11.5774 11.7003 11.7003 11.7252 11.7252 12.2698 12.2698 12.8510 12.8510 12.8704 12.8704 13.2295 13.2295 13.2530 13.2530 13.6598 13.6598 14.2590 14.2590 14.5206 14.5206 k = 0.3553 0.3553 0.3553 ( 1646 PWs) bands (ev): 3.9614 3.9614 7.9514 7.9514 9.0083 9.0083 9.0513 9.0513 10.5124 10.5124 10.5350 10.5350 10.5426 10.5426 11.6299 11.6299 11.7102 11.7102 11.7367 11.7367 12.2346 12.2346 12.8445 12.8445 12.8608 12.8608 13.2317 13.2317 13.2525 13.2525 13.6449 13.6449 14.2562 14.2562 14.4855 14.4855 k = 0.3618 0.3618 0.3618 ( 1640 PWs) bands (ev): 3.9986 3.9986 7.9948 7.9948 9.0235 9.0235 9.0663 9.0663 10.4868 10.4868 10.5000 10.5000 10.5343 10.5343 11.6846 11.6846 11.7202 11.7202 11.7493 11.7493 12.2010 12.2010 12.8380 12.8380 12.8512 12.8512 13.2325 13.2325 13.2506 13.2506 13.6281 13.6281 14.2534 14.2534 14.4522 14.4522 k = 0.3684 0.3684 0.3684 ( 1652 PWs) bands (ev): 4.0323 4.0323 8.0440 8.0440 9.0404 9.0404 9.0828 9.0828 10.4521 10.4521 10.4641 10.4641 10.5300 10.5300 11.7296 11.7296 11.7360 11.7360 11.7671 11.7671 12.1686 12.1686 12.8313 12.8313 12.8416 12.8416 13.2316 13.2316 13.2471 13.2471 13.6092 13.6092 14.2505 14.2505 14.4211 14.4211 k = 0.3750 0.3750 0.3750 ( 1646 PWs) bands (ev): 4.0626 4.0626 8.0989 8.0989 9.0589 9.0589 9.1009 9.1009 10.4155 10.4155 10.4279 10.4279 10.5234 10.5234 11.7388 11.7388 11.7616 11.7616 11.8128 11.8128 12.1379 12.1379 12.8244 12.8244 12.8321 12.8321 13.2294 13.2294 13.2422 13.2422 13.5881 13.5881 14.2475 14.2475 14.3926 14.3926 k = 0.3816 0.3816 0.3816 ( 1652 PWs) bands (ev): 4.0897 4.0897 8.1589 8.1589 9.0790 9.0790 9.1206 9.1206 10.3778 10.3778 10.3912 10.3912 10.5134 10.5134 11.7474 11.7474 11.7737 11.7737 11.8729 11.8729 12.1087 12.1087 12.8172 12.8172 12.8224 12.8224 13.2256 13.2256 13.2360 13.2360 13.5649 13.5649 14.2443 14.2443 14.3668 14.3668 k = 0.3882 0.3882 0.3882 ( 1652 PWs) bands (ev): 4.1137 4.1137 8.2240 8.2240 9.1006 9.1006 9.1417 9.1417 10.3396 10.3396 10.3542 10.3542 10.4999 10.4999 11.7554 11.7554 11.7835 11.7835 11.9357 11.9357 12.0813 12.0813 12.8096 12.8096 12.8127 12.8127 13.2206 13.2206 13.2286 13.2286 13.5397 13.5397 14.2411 14.2411 14.3439 14.3439 k = 0.3947 0.3947 0.3947 ( 1652 PWs) bands (ev): 4.1347 4.1347 8.2936 8.2936 9.1237 9.1237 9.1642 9.1642 10.3010 10.3010 10.3171 10.3171 10.4829 10.4829 11.7628 11.7628 11.7921 11.7921 11.9983 11.9983 12.0569 12.0569 12.8015 12.8015 12.8027 12.8027 13.2145 13.2145 13.2204 13.2204 13.5126 13.5126 14.2377 14.2377 14.3239 14.3242 k = 0.4013 0.4013 0.4013 ( 1646 PWs) bands (ev): 4.1532 4.1532 8.3675 8.3675 9.1482 9.1482 9.1881 9.1881 10.2622 10.2622 10.2799 10.2799 10.4622 10.4622 11.7695 11.7695 11.7998 11.7998 12.0253 12.0253 12.0703 12.0703 12.7926 12.7926 12.7930 12.7930 13.2076 13.2076 13.2116 13.2116 13.4838 13.4838 14.2340 14.2340 14.3069 14.3069 k = 0.4079 0.4079 0.4079 ( 1646 PWs) bands (ev): 4.1691 4.1691 8.4450 8.4450 9.1740 9.1740 9.2132 9.2132 10.2230 10.2230 10.2425 10.2425 10.4380 10.4380 11.7756 11.7756 11.8065 11.8065 12.0052 12.0052 12.1322 12.1322 12.7822 12.7822 12.7840 12.7840 13.2000 13.2000 13.2024 13.2024 13.4537 13.4537 14.2300 14.2300 14.2929 14.2929 k = 0.4145 0.4145 0.4145 ( 1640 PWs) bands (ev): 4.1828 4.1828 8.5258 8.5258 9.2011 9.2011 9.2395 9.2395 10.1838 10.1838 10.2052 10.2052 10.4101 10.4101 11.7810 11.7810 11.8122 11.8122 11.9847 11.9847 12.1955 12.1955 12.7717 12.7717 12.7745 12.7745 13.1921 13.1921 13.1932 13.1932 13.4227 13.4227 14.2258 14.2258 14.2816 14.2816 k = 0.4211 0.4211 0.4211 ( 1640 PWs) bands (ev): 4.1944 4.1944 8.6094 8.6094 9.2294 9.2294 9.2668 9.2668 10.1445 10.1445 10.1678 10.1678 10.3784 10.3784 11.7858 11.7858 11.8168 11.8168 11.9657 11.9657 12.2577 12.2577 12.7610 12.7610 12.7645 12.7645 13.1842 13.1842 13.1843 13.1843 13.3913 13.3913 14.2213 14.2213 14.2727 14.2727 k = 0.4276 0.4276 0.4276 ( 1643 PWs) bands (ev): 4.2042 4.2042 8.6952 8.6952 9.2588 9.2588 9.2951 9.2951 10.1050 10.1050 10.1305 10.1305 10.3430 10.3430 11.7899 11.7899 11.8203 11.8203 11.9487 11.9487 12.3179 12.3179 12.7502 12.7502 12.7541 12.7541 13.1757 13.1757 13.1763 13.1763 13.3601 13.3601 14.2168 14.2168 14.2659 14.2659 k = 0.4342 0.4342 0.4342 ( 1643 PWs) bands (ev): 4.2124 4.2124 8.7829 8.7829 9.2891 9.2891 9.3242 9.3242 10.0657 10.0657 10.0934 10.0934 10.3038 10.3038 11.7935 11.7935 11.8226 11.8226 11.9337 11.9337 12.3755 12.3755 12.7395 12.7395 12.7436 12.7436 13.1679 13.1679 13.1689 13.1689 13.3296 13.3296 14.2126 14.2126 14.2607 14.2607 k = 0.4408 0.4408 0.4408 ( 1637 PWs) bands (ev): 4.2192 4.2192 8.8719 8.8719 9.3204 9.3204 9.3541 9.3541 10.0264 10.0264 10.0567 10.0567 10.2607 10.2607 11.7966 11.7966 11.8238 11.8238 11.9211 11.9211 12.4297 12.4297 12.7291 12.7291 12.7330 12.7330 13.1610 13.1610 13.1622 13.1622 13.3006 13.3006 14.2088 14.2088 14.2568 14.2568 k = 0.4474 0.4474 0.4474 ( 1631 PWs) bands (ev): 4.2247 4.2247 8.9616 8.9616 9.3524 9.3524 9.3845 9.3845 9.9874 9.9874 10.0203 10.0203 10.2138 10.2138 11.7991 11.7991 11.8236 11.8236 11.9109 11.9109 12.4798 12.4798 12.7191 12.7191 12.7228 12.7228 13.1549 13.1549 13.1560 13.1560 13.2737 13.2737 14.2055 14.2055 14.2540 14.2543 k = 0.4539 0.4539 0.4539 ( 1634 PWs) bands (ev): 4.2293 4.2293 9.0516 9.0516 9.3850 9.3850 9.4151 9.4151 9.9485 9.9485 9.9844 9.9844 10.1631 10.1631 11.8012 11.8012 11.8221 11.8221 11.9026 11.9026 12.5251 12.5251 12.7096 12.7096 12.7130 12.7130 13.1494 13.1494 13.1505 13.1505 13.2495 13.2495 14.2026 14.2026 14.2514 14.2522 k = 0.4605 0.4605 0.4605 ( 1631 PWs) bands (ev): 4.2330 4.2330 9.1412 9.1412 9.4178 9.4178 9.4457 9.4457 9.9101 9.9101 9.9495 9.9495 10.1090 10.1090 11.8028 11.8028 11.8197 11.8197 11.8965 11.8965 12.5649 12.5649 12.7009 12.7009 12.7039 12.7039 13.1450 13.1450 13.1457 13.1457 13.2285 13.2285 14.2004 14.2004 14.2496 14.2508 k = 0.4671 0.4671 0.4671 ( 1640 PWs) bands (ev): 4.2358 4.2358 9.2296 9.2296 9.4506 9.4506 9.4758 9.4758 9.8723 9.8723 9.9157 9.9157 10.0515 10.0515 11.8040 11.8040 11.8166 11.8166 11.8921 11.8921 12.5988 12.5988 12.6931 12.6931 12.6957 12.6957 13.1411 13.1411 13.1417 13.1417 13.2110 13.2110 14.1985 14.1985 14.2481 14.2483 k = 0.4737 0.4737 0.4737 ( 1640 PWs) bands (ev): 4.2379 4.2379 9.3161 9.3161 9.4829 9.4829 9.5048 9.5048 9.8354 9.8354 9.8838 9.8838 9.9914 9.9914 11.8050 11.8050 11.8135 11.8135 11.8891 11.8891 12.6265 12.6265 12.6865 12.6865 12.6887 12.6887 13.1382 13.1382 13.1386 13.1386 13.1971 13.1971 14.1971 14.1971 14.2470 14.2470 k = 0.4803 0.4803 0.4803 ( 1640 PWs) bands (ev): 4.2395 4.2395 9.3994 9.3994 9.5135 9.5135 9.5315 9.5315 9.7997 9.7997 9.8549 9.8549 9.9305 9.9305 11.8057 11.8057 11.8107 11.8107 11.8872 11.8872 12.6478 12.6478 12.6812 12.6812 12.6830 12.6830 13.1360 13.1360 13.1362 13.1362 13.1867 13.1867 14.1960 14.1960 14.2462 14.2462 k = 0.4868 0.4868 0.4868 ( 1640 PWs) bands (ev): 4.2406 4.2406 9.4772 9.4772 9.5408 9.5408 9.5541 9.5541 9.7655 9.7655 9.8308 9.8308 9.8723 9.8723 11.8062 11.8062 11.8085 11.8085 11.8860 11.8860 12.6628 12.6628 12.6774 12.6774 12.6789 12.6789 13.1345 13.1345 13.1345 13.1345 13.1797 13.1797 14.1953 14.1953 14.2457 14.2457 k = 0.4934 0.4934 0.4934 ( 1640 PWs) bands (ev): 4.2412 4.2412 9.5424 9.5424 9.5614 9.5614 9.5698 9.5698 9.7335 9.7335 9.8141 9.8141 9.8262 9.8262 11.8065 11.8065 11.8071 11.8071 11.8854 11.8854 12.6715 12.6715 12.6753 12.6753 12.6763 12.6763 13.1336 13.1336 13.1336 13.1336 13.1757 13.1757 14.1949 14.1949 14.2454 14.2454 k = 0.5000 0.5000 0.5000 ( 1640 PWs) bands (ev): 4.2415 4.2415 9.5668 9.5668 9.5756 9.5756 9.5756 9.5756 9.7155 9.7155 9.8080 9.8080 9.8080 9.8080 11.8066 11.8066 11.8066 11.8066 11.8852 11.8852 12.6734 12.6734 12.6755 12.6755 12.6755 12.6755 13.1333 13.1333 13.1333 13.1333 13.1744 13.1744 14.1948 14.1948 14.2453 14.2453 k = 0.5000 0.5000 0.5000 ( 1640 PWs) bands (ev): 4.2415 4.2415 9.5668 9.5668 9.5756 9.5756 9.5756 9.5756 9.7155 9.7155 9.8080 9.8080 9.8080 9.8080 11.8066 11.8066 11.8066 11.8066 11.8852 11.8852 12.6734 12.6734 12.6755 12.6755 12.6755 12.6755 13.1333 13.1333 13.1333 13.1333 13.1744 13.1744 14.1948 14.1948 14.2453 14.2453 k = 0.4919 0.5000 0.4919 ( 1640 PWs) bands (ev): 4.2412 4.2412 9.5489 9.5489 9.5499 9.5499 9.5748 9.5748 9.7331 9.7331 9.8150 9.8150 9.8256 9.8256 11.8065 11.8065 11.8071 11.8071 11.8854 11.8854 12.6712 12.6712 12.6752 12.6752 12.6766 12.6766 13.1335 13.1335 13.1337 13.1337 13.1757 13.1757 14.1949 14.1949 14.2452 14.2452 k = 0.4839 0.5000 0.4839 ( 1640 PWs) bands (ev): 4.2406 4.2406 9.4929 9.4929 9.5036 9.5036 9.5785 9.5785 9.7562 9.7562 9.8419 9.8419 9.8673 9.8673 11.8063 11.8063 11.8084 11.8084 11.8860 11.8860 12.6617 12.6617 12.6768 12.6768 12.6806 12.6806 13.1341 13.1341 13.1349 13.1349 13.1796 13.1796 14.1953 14.1953 14.2449 14.2449 k = 0.4758 0.5000 0.4758 ( 1640 PWs) bands (ev): 4.2395 4.2395 9.4269 9.4269 9.4440 9.4440 9.5855 9.5855 9.7658 9.7658 9.8884 9.8884 9.9188 9.9188 11.8058 11.8058 11.8106 11.8106 11.8872 11.8872 12.6455 12.6455 12.6795 12.6795 12.6875 12.6875 13.1353 13.1353 13.1368 13.1368 13.1863 13.1863 14.1959 14.1959 14.2444 14.2444 k = 0.4677 0.5000 0.4677 ( 1640 PWs) bands (ev): 4.2380 4.2380 9.3563 9.3563 9.3786 9.3786 9.5954 9.5954 9.7683 9.7683 9.9422 9.9422 9.9734 9.9734 11.8052 11.8052 11.8135 11.8135 11.8890 11.8890 12.6230 12.6230 12.6831 12.6831 12.6967 12.6967 13.1371 13.1371 13.1396 13.1396 13.1957 13.1957 14.1966 14.1966 14.2438 14.2438 k = 0.4597 0.5000 0.4597 ( 1640 PWs) bands (ev): 4.2359 4.2359 9.2830 9.2830 9.3104 9.3104 9.6080 9.6080 9.7680 9.7680 9.9972 9.9972 10.0284 10.0284 11.8043 11.8043 11.8167 11.8167 11.8918 11.8918 12.5943 12.5943 12.6878 12.6878 12.7080 12.7080 13.1395 13.1395 13.1430 13.1430 13.2080 13.2080 14.1973 14.1973 14.2432 14.2437 k = 0.4516 0.5000 0.4516 ( 1636 PWs) bands (ev): 4.2332 4.2332 9.2077 9.2077 9.2411 9.2411 9.6235 9.6235 9.7664 9.7664 10.0511 10.0511 10.0827 10.0827 11.8031 11.8031 11.8201 11.8201 11.8959 11.8959 12.5598 12.5598 12.6935 12.6935 12.7209 12.7209 13.1428 13.1428 13.1472 13.1472 13.2231 13.2231 14.1980 14.1980 14.2427 14.2428 k = 0.4435 0.5000 0.4435 ( 1630 PWs) bands (ev): 4.2299 4.2299 9.1308 9.1308 9.1719 9.1719 9.6417 9.6417 9.7640 9.7640 10.1026 10.1026 10.1360 10.1360 11.8017 11.8017 11.8230 11.8230 11.9015 11.9015 12.5197 12.5197 12.7001 12.7001 12.7350 12.7350 13.1469 13.1469 13.1522 13.1522 13.2409 13.2409 14.1987 14.1987 14.2427 14.2427 k = 0.4355 0.5000 0.4355 ( 1638 PWs) bands (ev): 4.2257 4.2257 9.0524 9.0524 9.1035 9.1035 9.6624 9.6624 9.7610 9.7610 10.1510 10.1510 10.1879 10.1879 11.7999 11.7999 11.8252 11.8252 11.9090 11.9090 12.4745 12.4745 12.7077 12.7077 12.7496 12.7496 13.1519 13.1519 13.1576 13.1576 13.2610 13.2610 14.1992 14.1992 14.2432 14.2432 k = 0.4274 0.5000 0.4274 ( 1634 PWs) bands (ev): 4.2208 4.2208 8.9729 8.9729 9.0364 9.0364 9.6859 9.6859 9.7576 9.7576 10.1963 10.1963 10.2388 10.2388 11.7977 11.7977 11.8265 11.8265 11.9186 11.9186 12.4250 12.4250 12.7163 12.7163 12.7643 12.7643 13.1578 13.1578 13.1636 13.1636 13.2830 13.2830 14.1995 14.1995 14.2449 14.2450 k = 0.4194 0.5000 0.4194 ( 1634 PWs) bands (ev): 4.2149 4.2149 8.8924 8.8924 8.9712 8.9712 9.7119 9.7119 9.7539 9.7539 10.2379 10.2379 10.2885 10.2885 11.7950 11.7950 11.8265 11.8265 11.9305 11.9305 12.3716 12.3716 12.7259 12.7259 12.7786 12.7786 13.1648 13.1648 13.1701 13.1701 13.3064 13.3064 14.1995 14.1995 14.2484 14.2484 k = 0.4113 0.5000 0.4113 ( 1640 PWs) bands (ev): 4.2079 4.2079 8.8112 8.8112 8.9083 8.9083 9.7404 9.7404 9.7500 9.7500 10.2758 10.2758 10.3370 10.3370 11.7918 11.7918 11.8253 11.8253 11.9445 11.9445 12.3149 12.3149 12.7363 12.7363 12.7919 12.7919 13.1724 13.1724 13.1772 13.1772 13.3304 13.3304 14.1990 14.1990 14.2547 14.2547 k = 0.4032 0.5000 0.4032 ( 1644 PWs) bands (ev): 4.1998 4.1998 8.7294 8.7294 8.8481 8.8481 9.7459 9.7459 9.7713 9.7713 10.3099 10.3099 10.3844 10.3844 11.7881 11.7881 11.8228 11.8228 11.9606 11.9606 12.2555 12.2555 12.7477 12.7477 12.8040 12.8040 13.1800 13.1800 13.1857 13.1857 13.3541 13.3541 14.1979 14.1979 14.2648 14.2648 k = 0.3952 0.5000 0.3952 ( 1644 PWs) bands (ev): 4.1904 4.1904 8.6472 8.6472 8.7910 8.7910 9.7418 9.7418 9.8047 9.8047 10.3405 10.3405 10.4309 10.4309 11.7839 11.7839 11.8193 11.8193 11.9787 11.9787 12.1941 12.1941 12.7599 12.7599 12.8146 12.8146 13.1871 13.1871 13.1961 13.1961 13.3765 13.3765 14.1961 14.1961 14.2797 14.2797 k = 0.3871 0.5000 0.3871 ( 1640 PWs) bands (ev): 4.1796 4.1796 8.5648 8.5648 8.7374 8.7374 9.7376 9.7376 9.8403 9.8403 10.3674 10.3674 10.4764 10.4764 11.7792 11.7792 11.8147 11.8147 11.9986 11.9986 12.1315 12.1315 12.7731 12.7731 12.8234 12.8234 13.1936 13.1936 13.2080 13.2080 13.3967 13.3967 14.1936 14.1936 14.3005 14.3005 k = 0.3790 0.5000 0.3790 ( 1642 PWs) bands (ev): 4.1673 4.1673 8.4821 8.4821 8.6876 8.6876 9.7336 9.7336 9.8781 9.8781 10.3906 10.3906 10.5210 10.5210 11.7739 11.7739 11.8088 11.8088 12.0189 12.0189 12.0695 12.0695 12.7871 12.7871 12.8303 12.8303 13.1996 13.1996 13.2209 13.2209 13.4135 13.4135 14.1905 14.1905 14.3279 14.3279 k = 0.3710 0.5000 0.3710 ( 1642 PWs) bands (ev): 4.1534 4.1534 8.3995 8.3995 8.6419 8.6419 9.7296 9.7296 9.9180 9.9180 10.4103 10.4103 10.5649 10.5649 11.7678 11.7678 11.8015 11.8015 11.9998 11.9998 12.0485 12.0485 12.8019 12.8019 12.8355 12.8355 13.2050 13.2050 13.2347 13.2347 13.4262 13.4262 14.1869 14.1869 14.3626 14.3626 k = 0.3629 0.5000 0.3629 ( 1642 PWs) bands (ev): 4.1378 4.1378 8.3169 8.3169 8.6005 8.6005 9.7259 9.7259 9.9599 9.9599 10.4265 10.4265 10.6082 10.6082 11.7609 11.7609 11.7923 11.7923 11.9389 11.9389 12.0722 12.0722 12.8175 12.8175 12.8389 12.8389 13.2097 13.2097 13.2490 13.2490 13.4342 13.4342 14.1829 14.1829 14.4052 14.4052 k = 0.3548 0.5000 0.3548 ( 1634 PWs) bands (ev): 4.1204 4.1204 8.2346 8.2346 8.5638 8.5638 9.7223 9.7223 10.0038 10.0038 10.4393 10.4393 10.6511 10.6511 11.7528 11.7528 11.7796 11.7796 11.8801 11.8801 12.0993 12.0993 12.8339 12.8339 12.8406 12.8406 13.2138 13.2138 13.2639 13.2639 13.4371 13.4371 14.1785 14.1785 14.4556 14.4556 k = 0.3468 0.5000 0.3468 ( 1642 PWs) bands (ev): 4.1012 4.1012 8.1525 8.1525 8.5317 8.5317 9.7190 9.7190 10.0492 10.0492 10.4487 10.4487 10.6934 10.6934 11.7404 11.7404 11.7599 11.7599 11.8313 11.8313 12.1279 12.1279 12.8407 12.8407 12.8509 12.8509 13.2168 13.2168 13.2786 13.2786 13.4349 13.4349 14.1738 14.1738 14.5133 14.5133 k = 0.3387 0.5000 0.3387 ( 1646 PWs) bands (ev): 4.0802 4.0802 8.0709 8.0709 8.5047 8.5047 9.7161 9.7161 10.0963 10.0963 10.4549 10.4549 10.7356 10.7356 11.7073 11.7073 11.7418 11.7418 11.8013 11.8013 12.1581 12.1581 12.8395 12.8395 12.8688 12.8688 13.2187 13.2187 13.2933 13.2933 13.4279 13.4279 14.1688 14.1688 14.5672 14.5672 k = 0.3306 0.5000 0.3306 ( 1646 PWs) bands (ev): 4.0573 4.0573 7.9897 7.9897 8.4827 8.4827 9.7136 9.7136 10.1450 10.1450 10.4579 10.4579 10.7775 10.7775 11.6546 11.6546 11.7299 11.7299 11.7847 11.7847 12.1901 12.1901 12.8371 12.8371 12.8873 12.8873 13.2195 13.2195 13.3078 13.3078 13.4164 13.4164 14.1636 14.1636 14.6124 14.6124 k = 0.3226 0.5000 0.3226 ( 1642 PWs) bands (ev): 4.0325 4.0325 7.9092 7.9092 8.4660 8.4660 9.7115 9.7115 10.1951 10.1951 10.4580 10.4580 10.8194 10.8194 11.5973 11.5973 11.7184 11.7184 11.7730 11.7730 12.2237 12.2237 12.8336 12.8336 12.9064 12.9064 13.2191 13.2191 13.3218 13.3218 13.4007 13.4007 14.1583 14.1583 14.6602 14.6602 k = 0.3145 0.5000 0.3145 ( 1642 PWs) bands (ev): 4.0059 4.0059 7.8293 7.8293 8.4545 8.4545 9.7098 9.7098 10.2464 10.2464 10.4550 10.4550 10.8612 10.8612 11.5395 11.5395 11.7060 11.7060 11.7631 11.7631 12.2587 12.2587 12.8290 12.8290 12.9261 12.9261 13.2175 13.2175 13.3352 13.3352 13.3815 13.3815 14.1528 14.1528 14.7111 14.7111 k = 0.3065 0.5000 0.3065 ( 1642 PWs) bands (ev): 3.9776 3.9776 7.7501 7.7501 8.4482 8.4482 9.7086 9.7086 10.2987 10.2987 10.4491 10.4491 10.9030 10.9030 11.4829 11.4829 11.6928 11.6928 11.7543 11.7543 12.2950 12.2950 12.8236 12.8236 12.9465 12.9465 13.2144 13.2144 13.3478 13.3478 13.3594 13.3594 14.1472 14.1472 14.7652 14.7652 k = 0.2984 0.5000 0.2984 ( 1662 PWs) bands (ev): 3.9475 3.9475 7.6718 7.6718 8.4470 8.4470 9.7079 9.7079 10.3518 10.3518 10.4401 10.4401 10.9448 10.9448 11.4278 11.4278 11.6780 11.6780 11.7456 11.7456 12.3325 12.3325 12.8171 12.8171 12.9672 12.9672 13.2097 13.2097 13.3344 13.3344 13.3598 13.3598 14.1416 14.1416 14.8224 14.8224 k = 0.2903 0.5000 0.2903 ( 1662 PWs) bands (ev): 3.9158 3.9158 7.5945 7.5945 8.4511 8.4511 9.7077 9.7077 10.4045 10.4045 10.4300 10.4300 10.9869 10.9869 11.3751 11.3751 11.6629 11.6629 11.7379 11.7379 12.3713 12.3713 12.8102 12.8102 12.9886 12.9886 13.2034 13.2034 13.3079 13.3079 13.3708 13.3708 14.1359 14.1359 14.8828 14.8828 k = 0.2823 0.5000 0.2823 ( 1662 PWs) bands (ev): 3.8826 3.8826 7.5182 7.5182 8.4603 8.4603 9.7081 9.7081 10.4129 10.4129 10.4623 10.4623 11.0290 11.0290 11.3248 11.3248 11.6471 11.6471 11.7306 11.7306 12.4112 12.4112 12.8026 12.8026 13.0105 13.0105 13.1949 13.1949 13.2806 13.2806 13.3808 13.3808 14.1304 14.1304 14.9463 14.9463 k = 0.2742 0.5000 0.2742 ( 1662 PWs) bands (ev): 3.8481 3.8481 7.4430 7.4430 8.4743 8.4743 9.7090 9.7090 10.3969 10.3969 10.5171 10.5171 11.0714 11.0714 11.2771 11.2771 11.6305 11.6305 11.7237 11.7237 12.4520 12.4520 12.7944 12.7944 13.0327 13.0327 13.1830 13.1830 13.2539 13.2539 13.3898 13.3898 14.1250 14.1250 15.0127 15.0127 k = 0.2661 0.5000 0.2661 ( 1666 PWs) bands (ev): 3.8124 3.8124 7.3689 7.3689 8.4932 8.4932 9.7105 9.7105 10.3781 10.3781 10.5727 10.5727 11.1136 11.1136 11.2324 11.2324 11.6134 11.6134 11.7169 11.7169 12.4936 12.4936 12.7857 12.7857 13.0550 13.0550 13.1658 13.1658 13.2301 13.2301 13.3976 13.3976 14.1198 14.1198 15.0818 15.0818 k = 0.2581 0.5000 0.2581 ( 1666 PWs) bands (ev): 3.7756 3.7756 7.2962 7.2962 8.5166 8.5166 9.7126 9.7126 10.3569 10.3569 10.6285 10.6285 11.1550 11.1550 11.1916 11.1916 11.5956 11.5956 11.7107 11.7107 12.5357 12.5357 12.7766 12.7766 13.0775 13.0775 13.1419 13.1419 13.2114 13.2114 13.4043 13.4043 14.1148 14.1148 15.1536 15.1536 k = 0.2500 0.5000 0.2500 ( 1666 PWs) bands (ev): 3.7379 3.7379 7.2247 7.2247 8.5444 8.5444 9.7152 9.7152 10.3337 10.3337 10.6844 10.6844 11.1487 11.1487 11.2015 11.2015 11.5775 11.5775 11.7049 11.7049 12.5780 12.5780 12.7672 12.7672 13.0988 13.0988 13.1128 13.1128 13.1979 13.1979 13.4098 13.4098 14.1103 14.1103 15.2280 15.2280 k = 0.2419 0.5000 0.2419 ( 1666 PWs) bands (ev): 3.6995 3.6995 7.1547 7.1547 8.5764 8.5764 9.7184 9.7184 10.3088 10.3088 10.7402 10.7402 11.1128 11.1128 11.2439 11.2439 11.5591 11.5591 11.6995 11.6995 12.6203 12.6203 12.7577 12.7577 13.0776 13.0776 13.1198 13.1198 13.1896 13.1896 13.4140 13.4140 14.1061 14.1061 15.3048 15.3048 k = 0.2339 0.5000 0.2339 ( 1658 PWs) bands (ev): 3.6606 3.6606 7.0862 7.0862 8.6124 8.6124 9.7221 9.7221 10.2823 10.2823 10.7957 10.7957 11.0792 11.0792 11.2871 11.2871 11.5405 11.5405 11.6946 11.6946 12.6618 12.6618 12.7484 12.7484 13.0418 13.0418 13.1322 13.1322 13.1900 13.1900 13.4171 13.4171 14.1026 14.1026 15.3838 15.3838 k = 0.2258 0.5000 0.2258 ( 1646 PWs) bands (ev): 3.6213 3.6213 7.0192 7.0192 8.6519 8.6519 9.7264 9.7264 10.2546 10.2546 10.8509 10.8509 11.0478 11.0478 11.3305 11.3305 11.5220 11.5220 11.6903 11.6903 12.7000 12.7000 12.7416 12.7416 13.0041 13.0041 13.1332 13.1332 13.2034 13.2034 13.4187 13.4187 14.0999 14.0999 15.4650 15.4650 k = 0.2177 0.5000 0.2177 ( 1646 PWs) bands (ev): 3.5819 3.5819 6.9539 6.9539 8.6949 8.6949 9.7312 9.7312 10.2258 10.2258 10.9055 10.9055 11.0188 11.0188 11.3734 11.3734 11.5038 11.5038 11.6863 11.6863 12.7168 12.7168 12.7549 12.7549 12.9655 12.9655 13.1260 13.1260 13.2253 13.2253 13.4187 13.4187 14.0979 14.0979 15.5481 15.5481 k = 0.2097 0.5000 0.2097 ( 1646 PWs) bands (ev): 3.5424 3.5424 6.8903 6.8903 8.7409 8.7409 9.7365 9.7365 10.1963 10.1963 10.9593 10.9593 10.9920 10.9920 11.4144 11.4144 11.4875 11.4875 11.6829 11.6829 12.7101 12.7101 12.7903 12.7903 12.9263 12.9263 13.1155 13.1155 13.2509 13.2509 13.4174 13.4174 14.0969 14.0969 15.6329 15.6329 k = 0.2016 0.5000 0.2016 ( 1646 PWs) bands (ev): 3.5031 3.5031 6.8285 6.8285 8.7898 8.7898 9.7423 9.7423 10.1664 10.1664 10.9670 10.9670 11.0126 11.0126 11.4423 11.4423 11.4844 11.4844 11.6800 11.6800 12.6999 12.6999 12.8272 12.8272 12.8867 12.8867 13.1037 13.1037 13.2783 13.2783 13.4147 13.4147 14.0971 14.0971 15.7195 15.7195 k = 0.1935 0.5000 0.1935 ( 1646 PWs) bands (ev): 3.4641 3.4641 6.7685 6.7685 8.8411 8.8411 9.7485 9.7485 10.1362 10.1362 10.9443 10.9443 11.0648 11.0648 11.4361 11.4361 11.5156 11.5156 11.6778 11.6778 12.6888 12.6888 12.8452 12.8452 12.8646 12.8646 13.0911 13.0911 13.3069 13.3069 13.4107 13.4107 14.0986 14.0986 15.8075 15.8075 k = 0.1855 0.5000 0.1855 ( 1646 PWs) bands (ev): 3.4256 3.4256 6.7104 6.7104 8.8947 8.8947 9.7550 9.7550 10.1061 10.1061 10.9232 10.9232 11.1159 11.1159 11.4196 11.4196 11.5572 11.5572 11.6763 11.6763 12.6773 12.6773 12.8063 12.8063 12.8972 12.8972 13.0782 13.0782 13.3355 13.3355 13.4061 13.4061 14.1017 14.1017 15.8968 15.8968 k = 0.1774 0.5000 0.1774 ( 1646 PWs) bands (ev): 3.3877 3.3877 6.6543 6.6543 8.9501 8.9501 9.7620 9.7620 10.0762 10.0762 10.9038 10.9038 11.1658 11.1658 11.4016 11.4016 11.6003 11.6003 11.6756 11.6756 12.6655 12.6655 12.7669 12.7669 12.9283 12.9283 13.0649 13.0649 13.3608 13.3608 13.4038 13.4038 14.1065 14.1065 15.9873 15.9873 k = 0.1694 0.5000 0.1694 ( 1638 PWs) bands (ev): 3.3506 3.3506 6.6002 6.6002 9.0070 9.0070 9.7692 9.7692 10.0467 10.0467 10.8861 10.8861 11.2145 11.2145 11.3836 11.3836 11.6430 11.6430 11.6765 11.6765 12.6532 12.6532 12.7283 12.7283 12.9568 12.9568 13.0519 13.0519 13.3713 13.3713 13.4150 13.4150 14.1134 14.1134 16.0786 16.0786 k = 0.1613 0.5000 0.1613 ( 1640 PWs) bands (ev): 3.3144 3.3144 6.5483 6.5483 9.0650 9.0650 9.7767 9.7767 10.0178 10.0178 10.8694 10.8694 11.2613 11.2613 11.3661 11.3661 11.6715 11.6715 11.6920 11.6920 12.6392 12.6392 12.6915 12.6915 12.9825 12.9825 13.0385 13.0385 13.3655 13.3655 13.4407 13.4407 14.1224 14.1224 16.1707 16.1707 k = 0.1532 0.5000 0.1532 ( 1640 PWs) bands (ev): 3.2792 3.2792 6.4985 6.4985 9.1239 9.1239 9.7845 9.7845 9.9897 9.9897 10.8541 10.8541 11.3052 11.3052 11.3503 11.3503 11.6752 11.6752 11.7331 11.7331 12.6206 12.6206 12.6601 12.6601 13.0047 13.0047 13.0259 13.0259 13.3539 13.3539 13.4698 13.4698 14.1336 14.1336 16.2631 16.2631 k = 0.1452 0.5000 0.1452 ( 1640 PWs) bands (ev): 3.2452 3.2452 6.4509 6.4509 9.1833 9.1833 9.7924 9.7924 9.9625 9.9625 10.8400 10.8400 11.3240 11.3240 11.3585 11.3585 11.6776 11.6776 11.7757 11.7757 12.5928 12.5928 12.6387 12.6387 13.0100 13.0100 13.0276 13.0276 13.3395 13.3395 13.4992 13.4992 14.1471 14.1471 16.3552 16.3552 k = 0.1371 0.5000 0.1371 ( 1640 PWs) bands (ev): 3.2125 3.2125 6.4055 6.4055 9.2428 9.2428 9.8004 9.8004 9.9363 9.9363 10.8269 10.8269 11.3103 11.3103 11.3980 11.3980 11.6806 11.6806 11.8181 11.8181 12.5587 12.5587 12.6248 12.6248 12.9979 12.9979 13.0442 13.0442 13.3230 13.3230 13.5275 13.5275 14.1630 14.1630 16.4428 16.4428 k = 0.1290 0.5000 0.1290 ( 1642 PWs) bands (ev): 3.1811 3.1811 6.3625 6.3625 9.3020 9.3020 9.8083 9.8083 9.9112 9.9112 10.8151 10.8151 11.2945 11.2945 11.4385 11.4385 11.6844 11.6844 11.8599 11.8599 12.5227 12.5227 12.6143 12.6143 12.9854 12.9854 13.0591 13.0591 13.3045 13.3045 13.5544 13.5544 14.1812 14.1812 16.5019 16.5019 k = 0.1210 0.5000 0.1210 ( 1642 PWs) bands (ev): 3.1512 3.1512 6.3219 6.3219 9.3605 9.3605 9.8164 9.8164 9.8873 9.8873 10.8040 10.8040 11.2788 11.2788 11.4776 11.4776 11.6889 11.6889 11.9006 11.9006 12.4865 12.4865 12.6057 12.6057 12.9731 12.9731 13.0717 13.0717 13.2842 13.2842 13.5795 13.5795 14.2015 14.2015 16.5510 16.5510 k = 0.1129 0.5000 0.1129 ( 1634 PWs) bands (ev): 3.1228 3.1228 6.2837 6.2837 9.4180 9.4180 9.8245 9.8245 9.8649 9.8649 10.7939 10.7939 11.2637 11.2637 11.5150 11.5150 11.6943 11.6943 11.9402 11.9402 12.4509 12.4509 12.5988 12.5988 12.9612 12.9612 13.0823 13.0823 13.2622 13.2622 13.6025 13.6025 14.2238 14.2238 16.6022 16.6022 k = 0.1048 0.5000 0.1048 ( 1638 PWs) bands (ev): 3.0961 3.0961 6.2479 6.2479 9.4739 9.4739 9.8322 9.8322 9.8439 9.8439 10.7846 10.7846 11.2492 11.2492 11.5503 11.5503 11.7004 11.7004 11.9781 11.9781 12.4160 12.4160 12.5937 12.5937 12.9498 12.9498 13.0909 13.0909 13.2386 13.2386 13.6231 13.6231 14.2474 14.2474 16.6566 16.6566 k = 0.0968 0.5000 0.0968 ( 1638 PWs) bands (ev): 3.0710 3.0710 6.2145 6.2145 9.5279 9.5279 9.8236 9.8236 9.8403 9.8403 10.7761 10.7761 11.2355 11.2355 11.5835 11.5835 11.7074 11.7074 12.0140 12.0140 12.3821 12.3821 12.5908 12.5908 12.9389 12.9389 13.0978 13.0978 13.2134 13.2134 13.6418 13.6418 14.2720 14.2720 16.7146 16.7146 k = 0.0887 0.5000 0.0887 ( 1634 PWs) bands (ev): 3.0478 3.0478 6.1838 6.1838 9.5795 9.5795 9.8055 9.8055 9.8476 9.8476 10.7685 10.7685 11.2228 11.2228 11.6145 11.6145 11.7152 11.7152 12.0477 12.0477 12.3494 12.3494 12.5904 12.5904 12.9286 12.9286 13.1031 13.1031 13.1867 13.1867 13.6585 13.6585 14.2971 14.2971 16.7763 16.7763 k = 0.0806 0.5000 0.0806 ( 1644 PWs) bands (ev): 3.0263 3.0263 6.1556 6.1556 9.6284 9.6284 9.7886 9.7886 9.8547 9.8547 10.7614 10.7614 11.2107 11.2107 11.6430 11.6430 11.7237 11.7237 12.0782 12.0782 12.3181 12.3181 12.5928 12.5928 12.9190 12.9190 13.1070 13.1070 13.1585 13.1585 13.6728 13.6728 14.3221 14.3221 16.8418 16.8418 k = 0.0726 0.5000 0.0726 ( 1644 PWs) bands (ev): 3.0068 3.0068 6.1299 6.1299 9.6741 9.6741 9.7733 9.7733 9.8614 9.8614 10.7552 10.7552 11.1997 11.1997 11.6689 11.6689 11.7331 11.7331 12.1056 12.1056 12.2885 12.2885 12.5986 12.5986 12.9100 12.9100 13.1095 13.1095 13.1296 13.1296 13.6857 13.6857 14.3465 14.3465 16.9112 16.9112 k = 0.0645 0.5000 0.0645 ( 1650 PWs) bands (ev): 2.9892 2.9892 6.1069 6.1069 9.7161 9.7161 9.7595 9.7595 9.8678 9.8678 10.7492 10.7492 11.1896 11.1896 11.6919 11.6919 11.7432 11.7432 12.1287 12.1287 12.2610 12.2610 12.6080 12.6080 12.9018 12.9018 13.0978 13.0978 13.1128 13.1128 13.6968 13.6968 14.3697 14.3697 16.9842 16.9842 k = 0.0565 0.5000 0.0565 ( 1650 PWs) bands (ev): 2.9735 2.9735 6.0866 6.0866 9.7468 9.7468 9.7545 9.7545 9.8738 9.8738 10.7444 10.7444 11.1806 11.1806 11.7120 11.7120 11.7539 11.7539 12.1475 12.1475 12.2366 12.2366 12.6212 12.6212 12.8943 12.8943 13.0672 13.0672 13.1134 13.1134 13.7064 13.7064 14.3913 14.3913 17.0607 17.0607 k = 0.0484 0.5000 0.0484 ( 1650 PWs) bands (ev): 2.9599 2.9599 6.0689 6.0689 9.7365 9.7365 9.7876 9.7876 9.8794 9.8794 10.7403 10.7403 11.1727 11.1727 11.7290 11.7290 11.7651 11.7651 12.1600 12.1600 12.2168 12.2168 12.6381 12.6381 12.8876 12.8876 13.0356 13.0356 13.1139 13.1139 13.7145 13.7145 14.4108 14.4108 17.1399 17.1399 k = 0.0403 0.5000 0.0403 ( 1650 PWs) bands (ev): 2.9483 2.9483 6.0539 6.0539 9.7275 9.7275 9.8159 9.8159 9.8849 9.8849 10.7368 10.7368 11.1660 11.1660 11.7429 11.7429 11.7762 11.7762 12.1624 12.1624 12.2062 12.2062 12.6585 12.6585 12.8814 12.8814 13.0038 13.0038 13.1140 13.1140 13.7212 13.7212 14.4280 14.4280 17.2208 17.2208 k = 0.0323 0.5000 0.0323 ( 1650 PWs) bands (ev): 2.9388 2.9388 6.0416 6.0416 9.7199 9.7199 9.8387 9.8387 9.8903 9.8903 10.7341 10.7341 11.1603 11.1603 11.7542 11.7542 11.7866 11.7866 12.1540 12.1540 12.2062 12.2062 12.6816 12.6816 12.8756 12.8756 12.9728 12.9728 13.1139 13.1139 13.7267 13.7267 14.4424 14.4424 17.3012 17.3012 k = 0.0242 0.5000 0.0242 ( 1646 PWs) bands (ev): 2.9314 2.9314 6.0320 6.0320 9.7141 9.7141 9.8553 9.8553 9.8959 9.8959 10.7322 10.7322 11.1559 11.1559 11.7630 11.7630 11.7954 11.7954 12.1426 12.1426 12.2099 12.2099 12.7066 12.7066 12.8696 12.8696 12.9435 12.9435 13.1137 13.1137 13.7309 13.7309 14.4539 14.4539 17.3765 17.3765 k = 0.0161 0.5000 0.0161 ( 1654 PWs) bands (ev): 2.9260 2.9260 6.0251 6.0251 9.7098 9.7098 9.8658 9.8658 9.9013 9.9013 10.7306 10.7306 11.1527 11.1527 11.7693 11.7693 11.8020 11.8020 12.1328 12.1328 12.2131 12.2131 12.7316 12.7316 12.8619 12.8619 12.9190 12.9190 13.1133 13.1133 13.7338 13.7338 14.4621 14.4621 17.4386 17.4386 k = 0.0081 0.5000 0.0081 ( 1654 PWs) bands (ev): 2.9228 2.9228 6.0210 6.0210 9.7074 9.7074 9.8713 9.8713 9.9055 9.9055 10.7297 10.7297 11.1508 11.1508 11.7732 11.7732 11.8062 11.8062 12.1265 12.1265 12.2153 12.2153 12.7532 12.7532 12.8517 12.8517 12.9034 12.9034 13.1132 13.1132 13.7356 13.7356 14.4672 14.4672 17.4778 17.4778 k = 0.0000 0.5000-0.0000 ( 1654 PWs) bands (ev): 2.9218 2.9218 6.0197 6.0197 9.7065 9.7065 9.8730 9.8730 9.9071 9.9071 10.7294 10.7294 11.1501 11.1501 11.7745 11.7745 11.8076 11.8076 12.1243 12.1243 12.2160 12.2160 12.7629 12.7629 12.8455 12.8455 12.8985 12.8985 13.1131 13.1131 13.7362 13.7362 14.4689 14.4689 17.4907 17.4907 k = 0.5000 0.5000-0.0000 ( 1652 PWs) bands (ev): 4.0879 4.0879 7.4920 7.4920 7.5256 7.5256 9.6391 9.6391 10.1908 10.1908 11.0204 11.0204 11.1778 11.1778 11.1817 11.1817 11.8912 11.8912 11.9423 11.9423 12.6554 12.6554 12.6678 12.6678 12.6726 12.6726 12.8086 12.8086 13.2565 13.2565 13.2753 13.2753 13.2848 13.2848 15.0714 15.0719 k = 0.5000 0.5000 0.0114 ( 1648 PWs) bands (ev): 4.0881 4.0881 7.4934 7.4934 7.5270 7.5270 9.6392 9.6392 10.1896 10.1896 11.0223 11.0223 11.1770 11.1770 11.1810 11.1810 11.8906 11.8906 11.9417 11.9417 12.6558 12.6558 12.6690 12.6690 12.6708 12.6708 12.8096 12.8096 13.2563 13.2563 13.2765 13.2765 13.2864 13.2864 15.0696 15.0709 k = 0.5000 0.5000 0.0227 ( 1640 PWs) bands (ev): 4.0887 4.0887 7.4977 7.4977 7.5312 7.5312 9.6396 9.6396 10.1857 10.1857 11.0279 11.0279 11.1743 11.1743 11.1785 11.1785 11.8888 11.8888 11.9399 11.9399 12.6542 12.6542 12.6685 12.6685 12.6727 12.6727 12.8123 12.8123 13.2560 13.2560 13.2782 13.2782 13.2931 13.2931 15.0670 15.0679 k = 0.5000 0.5000 0.0341 ( 1640 PWs) bands (ev): 4.0896 4.0896 7.5047 7.5047 7.5382 7.5382 9.6402 9.6402 10.1793 10.1793 11.0370 11.0370 11.1698 11.1698 11.1742 11.1742 11.8859 11.8859 11.9370 11.9370 12.6445 12.6445 12.6714 12.6714 12.6785 12.6785 12.8168 12.8168 13.2552 13.2552 13.2788 13.2788 13.3057 13.3057 15.0622 15.0623 k = 0.5000 0.5000 0.0455 ( 1640 PWs) bands (ev): 4.0909 4.0909 7.5145 7.5145 7.5480 7.5480 9.6411 9.6411 10.1706 10.1706 11.0497 11.0497 11.1635 11.1635 11.1682 11.1682 11.8820 11.8820 11.9331 11.9331 12.6286 12.6286 12.6786 12.6786 12.6864 12.6864 12.8230 12.8230 13.2541 13.2541 13.2789 13.2789 13.3232 13.3232 15.0543 15.0548 k = 0.5000 0.5000 0.0568 ( 1640 PWs) bands (ev): 4.0925 4.0925 7.5271 7.5271 7.5606 7.5606 9.6422 9.6422 10.1597 10.1597 11.0656 11.0656 11.1554 11.1554 11.1605 11.1605 11.8773 11.8773 11.9284 11.9284 12.6086 12.6086 12.6883 12.6883 12.6962 12.6962 12.8309 12.8309 13.2527 13.2527 13.2788 13.2788 13.3447 13.3447 15.0448 15.0454 k = 0.5000 0.5000 0.0682 ( 1640 PWs) bands (ev): 4.0945 4.0945 7.5424 7.5424 7.5759 7.5759 9.6436 9.6436 10.1469 10.1469 11.0846 11.0846 11.1454 11.1454 11.1512 11.1512 11.8719 11.8719 11.9230 11.9230 12.5857 12.5857 12.6999 12.6999 12.7077 12.7077 12.8404 12.8404 13.2510 13.2510 13.2785 13.2785 13.3693 13.3693 15.0332 15.0335 k = 0.5000 0.5000 0.0795 ( 1648 PWs) bands (ev): 4.0969 4.0969 7.5605 7.5605 7.5940 7.5940 9.6452 9.6452 10.1323 10.1323 11.1061 11.1061 11.1338 11.1338 11.1406 11.1406 11.8660 11.8660 11.9170 11.9170 12.5605 12.5605 12.7130 12.7130 12.7206 12.7206 12.8513 12.8513 13.2488 13.2488 13.2780 13.2780 13.3962 13.3962 15.0197 15.0197 k = 0.5000 0.5000 0.0909 ( 1648 PWs) bands (ev): 4.0996 4.0996 7.5813 7.5813 7.6148 7.6148 9.6470 9.6470 10.1161 10.1161 11.1203 11.1203 11.1218 11.1218 11.1371 11.1371 11.8599 11.8599 11.9109 11.9109 12.5336 12.5336 12.7273 12.7273 12.7347 12.7347 12.8637 12.8637 13.2466 13.2466 13.2774 13.2774 13.4253 13.4253 15.0040 15.0042 k = 0.5000 0.5000 0.1023 ( 1648 PWs) bands (ev): 4.1026 4.1026 7.6049 7.6049 7.6384 7.6384 9.6491 9.6491 10.0986 10.0986 11.1052 11.1052 11.1106 11.1106 11.1614 11.1614 11.8537 11.8537 11.9047 11.9047 12.5054 12.5054 12.7425 12.7425 12.7498 12.7498 12.8774 12.8774 13.2441 13.2441 13.2767 13.2767 13.4558 13.4558 14.9856 14.9856 k = 0.5000 0.5000 0.1136 ( 1648 PWs) bands (ev): 4.1059 4.1059 7.6312 7.6312 7.6646 7.6646 9.6515 9.6515 10.0801 10.0801 11.0884 11.0884 11.0948 11.0948 11.1912 11.1912 11.8475 11.8475 11.8986 11.8986 12.4764 12.4764 12.7583 12.7583 12.7655 12.7655 12.8922 12.8922 13.2413 13.2413 13.2758 13.2758 13.4875 13.4875 14.9659 14.9666 k = 0.5000 0.5000 0.1250 ( 1648 PWs) bands (ev): 4.1095 4.1095 7.6601 7.6601 7.6935 7.6935 9.6540 9.6540 10.0605 10.0605 11.0700 11.0700 11.0771 11.0771 11.2237 11.2237 11.8416 11.8416 11.8926 11.8926 12.4468 12.4468 12.7745 12.7745 12.7816 12.7816 12.9080 12.9080 13.2383 13.2383 13.2748 13.2748 13.5200 13.5200 14.9434 14.9434 k = 0.5000 0.5000 0.1364 ( 1656 PWs) bands (ev): 4.1133 4.1133 7.6916 7.6916 7.7250 7.7250 9.6568 9.6568 10.0402 10.0402 11.0498 11.0498 11.0575 11.0575 11.2583 11.2583 11.8359 11.8359 11.8869 11.8869 12.4169 12.4169 12.7908 12.7908 12.7978 12.7978 12.9246 12.9246 13.2351 13.2351 13.2736 13.2736 13.5529 13.5529 14.9192 14.9192 k = 0.5000 0.5000 0.1477 ( 1648 PWs) bands (ev): 4.1175 4.1175 7.7257 7.7257 7.7591 7.7591 9.6599 9.6599 10.0194 10.0194 11.0284 11.0284 11.0367 11.0367 11.2953 11.2953 11.8307 11.8307 11.8817 11.8817 12.3871 12.3871 12.8069 12.8069 12.8139 12.8139 12.9420 12.9420 13.2319 13.2319 13.2723 13.2723 13.5863 13.5863 14.8934 14.8934 k = 0.5000 0.5000 0.1591 ( 1640 PWs) bands (ev): 4.1218 4.1218 7.7625 7.7625 7.7958 7.7958 9.6631 9.6631 9.9981 9.9981 11.0056 11.0056 11.0145 11.0145 11.3344 11.3344 11.8259 11.8259 11.8768 11.8768 12.3572 12.3572 12.8226 12.8226 12.8296 12.8296 12.9602 12.9602 13.2284 13.2284 13.2707 13.2707 13.6197 13.6197 14.8658 14.8658 k = 0.5000 0.5000 0.1705 ( 1640 PWs) bands (ev): 4.1264 4.1264 7.8017 7.8017 7.8349 7.8349 9.6666 9.6666 9.9764 9.9764 10.9812 10.9812 10.9906 10.9906 11.3754 11.3754 11.8216 11.8216 11.8723 11.8723 12.3275 12.3275 12.8376 12.8376 12.8447 12.8447 12.9786 12.9786 13.2246 13.2246 13.2688 13.2688 13.6531 13.6531 14.8366 14.8366 k = 0.5000 0.5000 0.1818 ( 1640 PWs) bands (ev): 4.1312 4.1312 7.8433 7.8433 7.8765 7.8765 9.6703 9.6703 9.9546 9.9546 10.9554 10.9554 10.9655 10.9655 11.4181 11.4181 11.8178 11.8178 11.8683 11.8683 12.2981 12.2981 12.8517 12.8517 12.8590 12.8590 12.9973 12.9973 13.2207 13.2207 13.2667 13.2667 13.6863 13.6863 14.8059 14.8059 k = 0.5000 0.5000 0.1932 ( 1648 PWs) bands (ev): 4.1362 4.1362 7.8874 7.8874 7.9206 7.9206 9.6742 9.6742 9.9326 9.9326 10.9283 10.9283 10.9389 10.9389 11.4625 11.4625 11.8144 11.8144 11.8646 11.8646 12.2689 12.2689 12.8647 12.8647 12.8720 12.8720 13.0162 13.0162 13.2165 13.2165 13.2643 13.2643 13.7192 13.7192 14.7738 14.7738 k = 0.5000 0.5000 0.2045 ( 1648 PWs) bands (ev): 4.1413 4.1413 7.9339 7.9339 7.9669 7.9669 9.6783 9.6783 9.9108 9.9108 10.9000 10.9000 10.9112 10.9112 11.5085 11.5085 11.8116 11.8116 11.8614 11.8614 12.2405 12.2405 12.8763 12.8763 12.8838 12.8838 13.0350 13.0350 13.2124 13.2124 13.2616 13.2616 13.7516 13.7516 14.7407 14.7407 k = 0.5000 0.5000 0.2159 ( 1640 PWs) bands (ev): 4.1465 4.1465 7.9826 7.9826 8.0156 8.0156 9.6828 9.6828 9.8892 9.8892 10.8705 10.8705 10.8822 10.8822 11.5559 11.5559 11.8097 11.8097 11.8589 11.8589 12.2128 12.2128 12.8865 12.8865 12.8941 12.8941 13.0538 13.0538 13.2082 13.2082 13.2587 13.2587 13.7836 13.7836 14.7068 14.7068 k = 0.5000 0.5000 0.2273 ( 1640 PWs) bands (ev): 4.1518 4.1518 8.0336 8.0336 8.0665 8.0665 9.6872 9.6872 9.8677 9.8677 10.8397 10.8397 10.8521 10.8521 11.6045 11.6045 11.8082 11.8082 11.8566 11.8566 12.1858 12.1858 12.8949 12.8949 12.9025 12.9025 13.0721 13.0721 13.2040 13.2040 13.2554 13.2554 13.8149 13.8149 14.6722 14.6722 k = 0.5000 0.5000 0.2386 ( 1648 PWs) bands (ev): 4.1572 4.1572 8.0867 8.0867 8.1195 8.1195 9.6918 9.6918 9.8465 9.8465 10.8076 10.8076 10.8206 10.8206 11.6541 11.6541 11.8073 11.8073 11.8545 11.8545 12.1595 12.1595 12.9013 12.9013 12.9090 12.9090 13.0899 13.0899 13.1997 13.1997 13.2514 13.2514 13.8454 13.8454 14.6373 14.6373 k = 0.5000 0.5000 0.2500 ( 1656 PWs) bands (ev): 4.1627 4.1627 8.1419 8.1419 8.1746 8.1746 9.6965 9.6965 9.8256 9.8256 10.7745 10.7745 10.7881 10.7881 11.7039 11.7039 11.8078 11.8078 11.8527 11.8527 12.1340 12.1340 12.9056 12.9056 12.9133 12.9133 13.1070 13.1070 13.1954 13.1954 13.2473 13.2473 13.8752 13.8752 14.6024 14.6024 k = 0.5000 0.5000 0.2614 ( 1648 PWs) bands (ev): 4.1682 4.1682 8.1992 8.1992 8.2317 8.2317 9.7015 9.7015 9.8055 9.8055 10.7403 10.7403 10.7545 10.7545 11.7514 11.7514 11.8123 11.8123 11.8515 11.8515 12.1095 12.1095 12.9077 12.9077 12.9154 12.9154 13.1235 13.1235 13.1914 13.1914 13.2429 13.2429 13.9042 13.9042 14.5678 14.5678 k = 0.5000 0.5000 0.2727 ( 1640 PWs) bands (ev): 4.1737 4.1737 8.2584 8.2584 8.2907 8.2907 9.7065 9.7065 9.7857 9.7857 10.7049 10.7049 10.7198 10.7198 11.7840 11.7840 11.8327 11.8327 11.8503 11.8503 12.0860 12.0860 12.9077 12.9077 12.9151 12.9151 13.1387 13.1387 13.1876 13.1876 13.2381 13.2381 13.9323 13.9323 14.5339 14.5339 k = 0.5000 0.5000 0.2841 ( 1648 PWs) bands (ev): 4.1791 4.1791 8.3193 8.3193 8.3515 8.3515 9.7115 9.7115 9.7665 9.7665 10.6681 10.6681 10.6838 10.6838 11.7935 11.7935 11.8492 11.8492 11.8770 11.8770 12.0635 12.0635 12.9050 12.9050 12.9123 12.9123 13.1521 13.1521 13.1844 13.1844 13.2329 13.2329 13.9593 13.9593 14.5007 14.5008 k = 0.5000 0.5000 0.2955 ( 1644 PWs) bands (ev): 4.1845 4.1845 8.3821 8.3821 8.4140 8.4140 9.7165 9.7165 9.7480 9.7480 10.6302 10.6302 10.6466 10.6466 11.7963 11.7963 11.8483 11.8483 11.9292 11.9292 12.0420 12.0420 12.9000 12.9000 12.9070 12.9070 13.1625 13.1625 13.1833 13.1833 13.2274 13.2274 13.9852 13.9852 14.4690 14.4691 k = 0.5000 0.5000 0.3068 ( 1644 PWs) bands (ev): 4.1897 4.1897 8.4464 8.4464 8.4781 8.4781 9.7216 9.7216 9.7302 9.7302 10.5910 10.5910 10.6081 10.6081 11.7976 11.7976 11.8474 11.8474 11.9834 11.9834 12.0218 12.0218 12.8926 12.8926 12.8992 12.8992 13.1665 13.1665 13.1873 13.1873 13.2215 13.2215 14.0101 14.0101 14.4387 14.4388 k = 0.5000 0.5000 0.3182 ( 1644 PWs) bands (ev): 4.1949 4.1949 8.5122 8.5122 8.5437 8.5437 9.7131 9.7131 9.7266 9.7266 10.5503 10.5503 10.5683 10.5683 11.7986 11.7986 11.8465 11.8465 12.0027 12.0027 12.0384 12.0384 12.8828 12.8828 12.8891 12.8891 13.1654 13.1654 13.1952 13.1952 13.2152 13.2152 14.0337 14.0337 14.4102 14.4102 k = 0.5000 0.5000 0.3295 ( 1644 PWs) bands (ev): 4.1999 4.1999 8.5794 8.5794 8.6105 8.6105 9.6969 9.6969 9.7316 9.7316 10.5083 10.5083 10.5271 10.5271 11.7993 11.7993 11.8454 11.8454 11.9850 11.9850 12.0936 12.0936 12.8710 12.8710 12.8767 12.8767 13.1626 13.1626 13.2032 13.2032 13.2087 13.2087 14.0561 14.0561 14.3836 14.3837 k = 0.5000 0.5000 0.3409 ( 1628 PWs) bands (ev): 4.2048 4.2048 8.6479 8.6479 8.6787 8.6787 9.6817 9.6817 9.7366 9.7366 10.4650 10.4650 10.4847 10.4847 11.8002 11.8002 11.8442 11.8442 11.9689 11.9689 12.1487 12.1487 12.8573 12.8573 12.8626 12.8626 13.1595 13.1595 13.2021 13.2021 13.2102 13.2102 14.0772 14.0772 14.3593 14.3593 k = 0.5000 0.5000 0.3523 ( 1628 PWs) bands (ev): 4.2094 4.2094 8.7174 8.7174 8.7478 8.7478 9.6672 9.6672 9.7414 9.7414 10.4199 10.4199 10.4405 10.4405 11.8009 11.8009 11.8427 11.8427 11.9540 11.9540 12.2033 12.2033 12.8420 12.8420 12.8466 12.8466 13.1563 13.1563 13.1952 13.1952 13.2156 13.2156 14.0969 14.0969 14.3370 14.3371 k = 0.5000 0.5000 0.3636 ( 1628 PWs) bands (ev): 4.2138 4.2138 8.7879 8.7879 8.8178 8.8178 9.6536 9.6536 9.7460 9.7460 10.3732 10.3732 10.3948 10.3948 11.8016 11.8016 11.8408 11.8408 11.9406 11.9406 12.2573 12.2573 12.8253 12.8253 12.8294 12.8294 13.1532 13.1532 13.1883 13.1883 13.2192 13.2192 14.1152 14.1152 14.3171 14.3171 k = 0.5000 0.5000 0.3750 ( 1628 PWs) bands (ev): 4.2180 4.2180 8.8592 8.8592 8.8886 8.8886 9.6410 9.6410 9.7504 9.7504 10.3249 10.3249 10.3476 10.3476 11.8023 11.8023 11.8384 11.8384 11.9289 11.9289 12.3101 12.3101 12.8078 12.8078 12.8112 12.8112 13.1502 13.1502 13.1813 13.1813 13.2211 13.2211 14.1320 14.1320 14.2994 14.2995 k = 0.5000 0.5000 0.3864 ( 1632 PWs) bands (ev): 4.2218 4.2218 8.9311 8.9311 8.9598 8.9598 9.6293 9.6293 9.7545 9.7545 10.2750 10.2750 10.2986 10.2986 11.8030 11.8030 11.8355 11.8355 11.9189 11.9189 12.3615 12.3615 12.7899 12.7899 12.7926 12.7926 13.1474 13.1474 13.1743 13.1743 13.2212 13.2212 14.1471 14.1471 14.2840 14.2840 k = 0.5000 0.5000 0.3977 ( 1628 PWs) bands (ev): 4.2255 4.2255 9.0034 9.0034 9.0313 9.0313 9.6188 9.6188 9.7583 9.7583 10.2234 10.2234 10.2482 10.2482 11.8036 11.8036 11.8322 11.8322 11.9105 11.9105 12.4111 12.4111 12.7719 12.7719 12.7741 12.7741 13.1448 13.1448 13.1676 13.1676 13.2195 13.2195 14.1605 14.1605 14.2711 14.2712 k = 0.5000 0.5000 0.4091 ( 1644 PWs) bands (ev): 4.2287 4.2287 9.0758 9.0758 9.1028 9.1028 9.6091 9.6091 9.7617 9.7617 10.1700 10.1700 10.1959 10.1959 11.8041 11.8041 11.8283 11.8283 11.9035 11.9035 12.4583 12.4583 12.7544 12.7544 12.7559 12.7559 13.1422 13.1422 13.1610 13.1610 13.2161 13.2161 14.1718 14.1718 14.2603 14.2603 k = 0.5000 0.5000 0.4205 ( 1632 PWs) bands (ev): 4.2317 4.2317 9.1483 9.1483 9.1742 9.1742 9.6008 9.6008 9.7646 9.7646 10.1152 10.1152 10.1423 10.1423 11.8048 11.8048 11.8244 11.8244 11.8983 11.8983 12.5029 12.5029 12.7378 12.7378 12.7387 12.7387 13.1402 13.1402 13.1551 13.1551 13.2113 13.2113 14.1812 14.1812 14.2522 14.2526 k = 0.5000 0.5000 0.4318 ( 1640 PWs) bands (ev): 4.2342 4.2342 9.2204 9.2204 9.2449 9.2449 9.5934 9.5934 9.7670 9.7670 10.0589 10.0589 10.0873 10.0873 11.8052 11.8052 11.8203 11.8203 11.8941 11.8941 12.5439 12.5439 12.7225 12.7225 12.7228 12.7228 13.1382 13.1382 13.1497 13.1497 13.2052 13.2052 14.1881 14.1881 14.2465 14.2466 k = 0.5000 0.5000 0.4432 ( 1640 PWs) bands (ev): 4.2364 4.2364 9.2918 9.2918 9.3145 9.3145 9.5871 9.5871 9.7685 9.7685 10.0017 10.0017 10.0313 10.0313 11.8056 11.8056 11.8165 11.8165 11.8910 11.8910 12.5807 12.5807 12.7087 12.7087 12.7088 12.7088 13.1366 13.1366 13.1449 13.1449 13.1984 13.1984 14.1925 14.1925 14.2435 14.2435 k = 0.5000 0.5000 0.4545 ( 1640 PWs) bands (ev): 4.2382 4.2382 9.3621 9.3621 9.3822 9.3822 9.5820 9.5820 9.7687 9.7687 9.9444 9.9444 9.9748 9.9748 11.8060 11.8060 11.8131 11.8131 11.8887 11.8887 12.6127 12.6127 12.6967 12.6967 12.6972 12.6972 13.1354 13.1354 13.1408 13.1408 13.1914 13.1914 14.1947 14.1947 14.2427 14.2427 k = 0.5000 0.5000 0.4659 ( 1640 PWs) bands (ev): 4.2396 4.2396 9.4304 9.4304 9.4467 9.4467 9.5780 9.5780 9.7661 9.7661 9.8891 9.8891 9.9192 9.9192 11.8062 11.8062 11.8104 11.8104 11.8871 11.8871 12.6389 12.6389 12.6870 12.6870 12.6879 12.6879 13.1344 13.1344 13.1376 13.1376 13.1848 13.1848 14.1953 14.1953 14.2432 14.2432 k = 0.5000 0.5000 0.4773 ( 1640 PWs) bands (ev): 4.2406 4.2406 9.4947 9.4947 9.5051 9.5051 9.5752 9.5752 9.7563 9.7563 9.8420 9.8420 9.8672 9.8672 11.8064 11.8064 11.8083 11.8083 11.8860 11.8860 12.6584 12.6584 12.6800 12.6800 12.6810 12.6810 13.1338 13.1338 13.1352 13.1352 13.1793 13.1793 14.1952 14.1952 14.2442 14.2442 k = 0.5000 0.5000 0.4886 ( 1640 PWs) bands (ev): 4.2412 4.2412 9.5496 9.5496 9.5503 9.5503 9.5740 9.5740 9.7331 9.7331 9.8149 9.8149 9.8255 9.8255 11.8065 11.8065 11.8070 11.8070 11.8854 11.8854 12.6704 12.6704 12.6758 12.6758 12.6769 12.6769 13.1334 13.1334 13.1337 13.1337 13.1757 13.1757 14.1949 14.1949 14.2450 14.2450 k = 0.5000 0.5000 0.5000 ( 1640 PWs) bands (ev): 4.2415 4.2415 9.5668 9.5668 9.5756 9.5756 9.5756 9.5756 9.7155 9.7155 9.8080 9.8080 9.8080 9.8080 11.8066 11.8066 11.8066 11.8066 11.8852 11.8852 12.6734 12.6734 12.6755 12.6755 12.6755 12.6755 13.1333 13.1333 13.1333 13.1333 13.1744 13.1744 14.1948 14.1948 14.2453 14.2453 Writing output data file Fe3Ge.save init_run : 0.11s CPU 0.26s WALL ( 1 calls) electrons : 67.96s CPU 69.58s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 67.95s CPU 69.57s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.04s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.03s WALL ( 338 calls) cegterg : 61.79s CPU 62.99s WALL ( 459 calls) Called by sum_band: Called by *egterg: h_psi : 27.02s CPU 28.08s WALL ( 7486 calls) s_psi : 2.27s CPU 2.36s WALL ( 7486 calls) g_psi : 0.08s CPU 0.07s WALL ( 6689 calls) cdiaghg : 32.14s CPU 32.17s WALL ( 7027 calls) cegterg:over : 2.05s CPU 1.97s WALL ( 6689 calls) cegterg:upda : 1.23s CPU 1.29s WALL ( 6689 calls) cegterg:last : 0.68s CPU 0.74s WALL ( 1235 calls) cdiaghg:chol : 1.65s CPU 1.61s WALL ( 7027 calls) cdiaghg:inve : 0.88s CPU 0.93s WALL ( 7027 calls) cdiaghg:para : 1.62s CPU 1.78s WALL ( 14054 calls) Called by h_psi: h_psi:vloc : 21.82s CPU 22.81s WALL ( 7486 calls) h_psi:vnl : 5.13s CPU 5.22s WALL ( 7486 calls) add_vuspsi : 2.86s CPU 2.86s WALL ( 7486 calls) General routines calbec : 2.26s CPU 2.34s WALL ( 7486 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 20.73s CPU 21.68s WALL ( 596472 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.09s CPU 0.12s WALL ( 676 calls) Parallel routines fft_scatter : 10.63s CPU 11.33s WALL ( 596495 calls) PWSCF : 1m16.09s CPU 1m26.57s WALL This run was terminated on: 18:14:37 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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