Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:48:33 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: ./SrB6.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 44 23 7 1362 517 87 Max 45 24 8 1367 536 90 Sum 1617 861 261 49173 18949 3191 bravais-lattice index = 14 lattice parameter (alat) = 7.9180 a.u. unit-cell volume = 496.4078 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 43.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.917952 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 B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 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 Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1221 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 B 3.00 10.81100 B( 1.00) Sr 10.00 87.62000 Sr( 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= 293 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 2) = ( 0.0000000 0.0131579 -0.0000000), wk = 0.0034130 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0034130 k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0034130 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0034130 k( 6) = ( 0.0000000 0.0657895 -0.0000000), wk = 0.0034130 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0034130 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0034130 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0034130 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0034130 k( 11) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0034130 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0034130 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0034130 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0034130 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0034130 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0034130 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0034130 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0034130 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0034130 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0034130 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0034130 k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0034130 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0034130 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0034130 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0034130 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0034130 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0034130 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0034130 k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0034130 k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0034130 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0034130 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0034130 k( 33) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0034130 k( 34) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0034130 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0034130 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0034130 k( 37) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0034130 k( 38) = ( 0.0000000 0.4868421 -0.0000000), wk = 0.0034130 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034130 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034130 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0034130 k( 42) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0034130 k( 43) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0034130 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0034130 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0034130 k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0034130 k( 47) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0034130 k( 48) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0034130 k( 49) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0034130 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0034130 k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0034130 k( 52) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0034130 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0034130 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0034130 k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0034130 k( 56) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0034130 k( 57) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0034130 k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0034130 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0034130 k( 60) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0034130 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0034130 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0034130 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0034130 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0034130 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0034130 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0034130 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0034130 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0034130 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0034130 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0034130 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0034130 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0034130 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0034130 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0034130 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0034130 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0034130 k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0034130 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034130 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034130 k( 80) = ( 0.4907407 0.4907407 -0.0000000), wk = 0.0034130 k( 81) = ( 0.4814815 0.4814815 -0.0000000), wk = 0.0034130 k( 82) = ( 0.4722222 0.4722222 -0.0000000), wk = 0.0034130 k( 83) = ( 0.4629630 0.4629630 -0.0000000), wk = 0.0034130 k( 84) = ( 0.4537037 0.4537037 -0.0000000), wk = 0.0034130 k( 85) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0034130 k( 86) = ( 0.4351852 0.4351852 -0.0000000), wk = 0.0034130 k( 87) = ( 0.4259259 0.4259259 -0.0000000), wk = 0.0034130 k( 88) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0034130 k( 89) = ( 0.4074074 0.4074074 -0.0000000), wk = 0.0034130 k( 90) = ( 0.3981481 0.3981481 -0.0000000), wk = 0.0034130 k( 91) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0034130 k( 92) = ( 0.3796296 0.3796296 -0.0000000), wk = 0.0034130 k( 93) = ( 0.3703704 0.3703704 -0.0000000), wk = 0.0034130 k( 94) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0034130 k( 95) = ( 0.3518519 0.3518518 -0.0000000), wk = 0.0034130 k( 96) = ( 0.3425926 0.3425926 -0.0000000), wk = 0.0034130 k( 97) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0034130 k( 98) = ( 0.3240741 0.3240741 -0.0000000), wk = 0.0034130 k( 99) = ( 0.3148148 0.3148148 -0.0000000), wk = 0.0034130 k( 100) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0034130 k( 101) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0034130 k( 102) = ( 0.2870370 0.2870370 -0.0000000), wk = 0.0034130 k( 103) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0034130 k( 104) = ( 0.2685185 0.2685185 -0.0000000), wk = 0.0034130 k( 105) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0034130 k( 106) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0034130 k( 107) = ( 0.2407407 0.2407407 -0.0000000), wk = 0.0034130 k( 108) = ( 0.2314815 0.2314815 -0.0000000), wk = 0.0034130 k( 109) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0034130 k( 110) = ( 0.2129630 0.2129630 -0.0000000), wk = 0.0034130 k( 111) = ( 0.2037037 0.2037037 -0.0000000), wk = 0.0034130 k( 112) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0034130 k( 113) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0034130 k( 114) = ( 0.1759259 0.1759259 -0.0000000), wk = 0.0034130 k( 115) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0034130 k( 116) = ( 0.1574074 0.1574074 -0.0000000), wk = 0.0034130 k( 117) = ( 0.1481482 0.1481481 -0.0000000), wk = 0.0034130 k( 118) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0034130 k( 119) = ( 0.1296296 0.1296296 -0.0000000), wk = 0.0034130 k( 120) = ( 0.1203704 0.1203704 -0.0000000), wk = 0.0034130 k( 121) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0034130 k( 122) = ( 0.1018518 0.1018518 -0.0000000), wk = 0.0034130 k( 123) = ( 0.0925926 0.0925926 -0.0000000), wk = 0.0034130 k( 124) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0034130 k( 125) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0034130 k( 126) = ( 0.0648148 0.0648148 -0.0000000), wk = 0.0034130 k( 127) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0034130 k( 128) = ( 0.0462963 0.0462963 -0.0000000), wk = 0.0034130 k( 129) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0034130 k( 130) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0034130 k( 131) = ( 0.0185185 0.0185185 -0.0000000), wk = 0.0034130 k( 132) = ( 0.0092593 0.0092593 -0.0000000), wk = 0.0034130 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 135) = ( 0.0076923 0.0076923 0.0076923), wk = 0.0034130 k( 136) = ( 0.0153846 0.0153846 0.0153846), wk = 0.0034130 k( 137) = ( 0.0230769 0.0230769 0.0230769), wk = 0.0034130 k( 138) = ( 0.0307692 0.0307692 0.0307692), wk = 0.0034130 k( 139) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0034130 k( 140) = ( 0.0461539 0.0461538 0.0461538), wk = 0.0034130 k( 141) = ( 0.0538462 0.0538461 0.0538461), wk = 0.0034130 k( 142) = ( 0.0615385 0.0615385 0.0615385), wk = 0.0034130 k( 143) = ( 0.0692308 0.0692308 0.0692308), wk = 0.0034130 k( 144) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0034130 k( 145) = ( 0.0846154 0.0846154 0.0846154), wk = 0.0034130 k( 146) = ( 0.0923077 0.0923077 0.0923077), wk = 0.0034130 k( 147) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0034130 k( 148) = ( 0.1076923 0.1076923 0.1076923), wk = 0.0034130 k( 149) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0034130 k( 150) = ( 0.1230769 0.1230769 0.1230769), wk = 0.0034130 k( 151) = ( 0.1307692 0.1307692 0.1307692), wk = 0.0034130 k( 152) = ( 0.1384615 0.1384615 0.1384615), wk = 0.0034130 k( 153) = ( 0.1461539 0.1461538 0.1461538), wk = 0.0034130 k( 154) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0034130 k( 155) = ( 0.1615385 0.1615385 0.1615385), wk = 0.0034130 k( 156) = ( 0.1692308 0.1692308 0.1692308), wk = 0.0034130 k( 157) = ( 0.1769231 0.1769231 0.1769231), wk = 0.0034130 k( 158) = ( 0.1846154 0.1846154 0.1846154), wk = 0.0034130 k( 159) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0034130 k( 160) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0034130 k( 161) = ( 0.2076923 0.2076923 0.2076923), wk = 0.0034130 k( 162) = ( 0.2153846 0.2153846 0.2153846), wk = 0.0034130 k( 163) = ( 0.2230769 0.2230769 0.2230769), wk = 0.0034130 k( 164) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0034130 k( 165) = ( 0.2384615 0.2384615 0.2384615), wk = 0.0034130 k( 166) = ( 0.2461539 0.2461538 0.2461538), wk = 0.0034130 k( 167) = ( 0.2538461 0.2538461 0.2538461), wk = 0.0034130 k( 168) = ( 0.2615385 0.2615385 0.2615385), wk = 0.0034130 k( 169) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0034130 k( 170) = ( 0.2769231 0.2769231 0.2769231), wk = 0.0034130 k( 171) = ( 0.2846154 0.2846154 0.2846154), wk = 0.0034130 k( 172) = ( 0.2923077 0.2923077 0.2923077), wk = 0.0034130 k( 173) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0034130 k( 174) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0034130 k( 175) = ( 0.3153846 0.3153846 0.3153846), wk = 0.0034130 k( 176) = ( 0.3230769 0.3230769 0.3230769), wk = 0.0034130 k( 177) = ( 0.3307692 0.3307692 0.3307692), wk = 0.0034130 k( 178) = ( 0.3384615 0.3384615 0.3384615), wk = 0.0034130 k( 179) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0034130 k( 180) = ( 0.3538462 0.3538461 0.3538461), wk = 0.0034130 k( 181) = ( 0.3615385 0.3615385 0.3615385), wk = 0.0034130 k( 182) = ( 0.3692308 0.3692308 0.3692308), wk = 0.0034130 k( 183) = ( 0.3769231 0.3769231 0.3769231), wk = 0.0034130 k( 184) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0034130 k( 185) = ( 0.3923077 0.3923077 0.3923077), wk = 0.0034130 k( 186) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0034130 k( 187) = ( 0.4076923 0.4076923 0.4076923), wk = 0.0034130 k( 188) = ( 0.4153846 0.4153846 0.4153846), wk = 0.0034130 k( 189) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0034130 k( 190) = ( 0.4307692 0.4307692 0.4307692), wk = 0.0034130 k( 191) = ( 0.4384615 0.4384615 0.4384615), wk = 0.0034130 k( 192) = ( 0.4461539 0.4461538 0.4461538), wk = 0.0034130 k( 193) = ( 0.4538462 0.4538461 0.4538461), wk = 0.0034130 k( 194) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0034130 k( 195) = ( 0.4692308 0.4692308 0.4692308), wk = 0.0034130 k( 196) = ( 0.4769231 0.4769231 0.4769231), wk = 0.0034130 k( 197) = ( 0.4846154 0.4846154 0.4846154), wk = 0.0034130 k( 198) = ( 0.4923077 0.4923077 0.4923077), wk = 0.0034130 k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034130 k( 200) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034130 k( 201) = ( 0.4907407 0.5000000 0.4907407), wk = 0.0034130 k( 202) = ( 0.4814815 0.5000000 0.4814815), wk = 0.0034130 k( 203) = ( 0.4722222 0.5000000 0.4722222), wk = 0.0034130 k( 204) = ( 0.4629630 0.5000000 0.4629630), wk = 0.0034130 k( 205) = ( 0.4537037 0.5000000 0.4537037), wk = 0.0034130 k( 206) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0034130 k( 207) = ( 0.4351852 0.5000000 0.4351852), wk = 0.0034130 k( 208) = ( 0.4259259 0.5000000 0.4259259), wk = 0.0034130 k( 209) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0034130 k( 210) = ( 0.4074074 0.5000000 0.4074074), wk = 0.0034130 k( 211) = ( 0.3981481 0.5000000 0.3981481), wk = 0.0034130 k( 212) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0034130 k( 213) = ( 0.3796296 0.5000000 0.3796296), wk = 0.0034130 k( 214) = ( 0.3703704 0.5000000 0.3703704), wk = 0.0034130 k( 215) = ( 0.3611111 0.5000000 0.3611111), wk = 0.0034130 k( 216) = ( 0.3518519 0.5000000 0.3518518), wk = 0.0034130 k( 217) = ( 0.3425926 0.5000000 0.3425926), wk = 0.0034130 k( 218) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0034130 k( 219) = ( 0.3240741 0.5000000 0.3240741), wk = 0.0034130 k( 220) = ( 0.3148148 0.5000000 0.3148148), wk = 0.0034130 k( 221) = ( 0.3055556 0.5000000 0.3055556), wk = 0.0034130 k( 222) = ( 0.2962963 0.5000000 0.2962963), wk = 0.0034130 k( 223) = ( 0.2870370 0.5000000 0.2870370), wk = 0.0034130 k( 224) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0034130 k( 225) = ( 0.2685185 0.5000000 0.2685185), wk = 0.0034130 k( 226) = ( 0.2592593 0.5000000 0.2592593), wk = 0.0034130 k( 227) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0034130 k( 228) = ( 0.2407407 0.5000000 0.2407407), wk = 0.0034130 k( 229) = ( 0.2314815 0.5000000 0.2314815), wk = 0.0034130 k( 230) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0034130 k( 231) = ( 0.2129630 0.5000000 0.2129630), wk = 0.0034130 k( 232) = ( 0.2037037 0.5000000 0.2037037), wk = 0.0034130 k( 233) = ( 0.1944444 0.5000000 0.1944444), wk = 0.0034130 k( 234) = ( 0.1851852 0.5000000 0.1851852), wk = 0.0034130 k( 235) = ( 0.1759259 0.5000000 0.1759259), wk = 0.0034130 k( 236) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0034130 k( 237) = ( 0.1574074 0.5000000 0.1574074), wk = 0.0034130 k( 238) = ( 0.1481482 0.5000000 0.1481481), wk = 0.0034130 k( 239) = ( 0.1388889 0.5000000 0.1388889), wk = 0.0034130 k( 240) = ( 0.1296296 0.5000000 0.1296296), wk = 0.0034130 k( 241) = ( 0.1203704 0.5000000 0.1203704), wk = 0.0034130 k( 242) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0034130 k( 243) = ( 0.1018518 0.5000000 0.1018518), wk = 0.0034130 k( 244) = ( 0.0925926 0.5000000 0.0925926), wk = 0.0034130 k( 245) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0034130 k( 246) = ( 0.0740741 0.5000000 0.0740741), wk = 0.0034130 k( 247) = ( 0.0648148 0.5000000 0.0648148), wk = 0.0034130 k( 248) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0034130 k( 249) = ( 0.0462963 0.5000000 0.0462963), wk = 0.0034130 k( 250) = ( 0.0370370 0.5000000 0.0370370), wk = 0.0034130 k( 251) = ( 0.0277778 0.5000000 0.0277778), wk = 0.0034130 k( 252) = ( 0.0185185 0.5000000 0.0185185), wk = 0.0034130 k( 253) = ( 0.0092593 0.5000000 0.0092593), wk = 0.0034130 k( 254) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034130 k( 255) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034130 k( 256) = ( 0.5000000 0.5000000 0.0131579), wk = 0.0034130 k( 257) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0034130 k( 258) = ( 0.5000000 0.5000000 0.0394737), wk = 0.0034130 k( 259) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0034130 k( 260) = ( 0.5000000 0.5000000 0.0657895), wk = 0.0034130 k( 261) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0034130 k( 262) = ( 0.5000000 0.5000000 0.0921053), wk = 0.0034130 k( 263) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0034130 k( 264) = ( 0.5000000 0.5000000 0.1184210), wk = 0.0034130 k( 265) = ( 0.5000000 0.5000000 0.1315789), wk = 0.0034130 k( 266) = ( 0.5000000 0.5000000 0.1447368), wk = 0.0034130 k( 267) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0034130 k( 268) = ( 0.5000000 0.5000000 0.1710526), wk = 0.0034130 k( 269) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0034130 k( 270) = ( 0.5000000 0.5000000 0.1973684), wk = 0.0034130 k( 271) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0034130 k( 272) = ( 0.5000000 0.5000000 0.2236842), wk = 0.0034130 k( 273) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0034130 k( 274) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0034130 k( 275) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0034130 k( 276) = ( 0.5000000 0.5000000 0.2763158), wk = 0.0034130 k( 277) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0034130 k( 278) = ( 0.5000000 0.5000000 0.3026316), wk = 0.0034130 k( 279) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0034130 k( 280) = ( 0.5000000 0.5000000 0.3289474), wk = 0.0034130 k( 281) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0034130 k( 282) = ( 0.5000000 0.5000000 0.3552632), wk = 0.0034130 k( 283) = ( 0.5000000 0.5000000 0.3684210), wk = 0.0034130 k( 284) = ( 0.5000000 0.5000000 0.3815789), wk = 0.0034130 k( 285) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0034130 k( 286) = ( 0.5000000 0.5000000 0.4078947), wk = 0.0034130 k( 287) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0034130 k( 288) = ( 0.5000000 0.5000000 0.4342105), wk = 0.0034130 k( 289) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0034130 k( 290) = ( 0.5000000 0.5000000 0.4605263), wk = 0.0034130 k( 291) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0034130 k( 292) = ( 0.5000000 0.5000000 0.4868421), wk = 0.0034130 k( 293) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034130 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 2) = ( 0.0000000 0.0131579 0.0000000), wk = 0.0034130 k( 3) = ( 0.0000000 0.0263158 0.0000000), wk = 0.0034130 k( 4) = ( 0.0000000 0.0394737 0.0000000), wk = 0.0034130 k( 5) = ( 0.0000000 0.0526316 0.0000000), wk = 0.0034130 k( 6) = ( 0.0000000 0.0657895 0.0000000), wk = 0.0034130 k( 7) = ( 0.0000000 0.0789474 0.0000000), wk = 0.0034130 k( 8) = ( 0.0000000 0.0921053 0.0000000), wk = 0.0034130 k( 9) = ( 0.0000000 0.1052632 0.0000000), wk = 0.0034130 k( 10) = ( 0.0000000 0.1184210 0.0000000), wk = 0.0034130 k( 11) = ( 0.0000000 0.1315790 0.0000000), wk = 0.0034130 k( 12) = ( 0.0000000 0.1447368 0.0000000), wk = 0.0034130 k( 13) = ( 0.0000000 0.1578947 0.0000000), wk = 0.0034130 k( 14) = ( 0.0000000 0.1710526 0.0000000), wk = 0.0034130 k( 15) = ( 0.0000000 0.1842105 0.0000000), wk = 0.0034130 k( 16) = ( 0.0000000 0.1973684 0.0000000), wk = 0.0034130 k( 17) = ( 0.0000000 0.2105263 0.0000000), wk = 0.0034130 k( 18) = ( 0.0000000 0.2236842 0.0000000), wk = 0.0034130 k( 19) = ( 0.0000000 0.2368421 0.0000000), wk = 0.0034130 k( 20) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0034130 k( 21) = ( 0.0000000 0.2631579 0.0000000), wk = 0.0034130 k( 22) = ( 0.0000000 0.2763158 0.0000000), wk = 0.0034130 k( 23) = ( 0.0000000 0.2894737 0.0000000), wk = 0.0034130 k( 24) = ( 0.0000000 0.3026316 0.0000000), wk = 0.0034130 k( 25) = ( 0.0000000 0.3157895 0.0000000), wk = 0.0034130 k( 26) = ( 0.0000000 0.3289474 0.0000000), wk = 0.0034130 k( 27) = ( 0.0000000 0.3421053 0.0000000), wk = 0.0034130 k( 28) = ( 0.0000000 0.3552632 0.0000000), wk = 0.0034130 k( 29) = ( 0.0000000 0.3684211 0.0000000), wk = 0.0034130 k( 30) = ( 0.0000000 0.3815789 0.0000000), wk = 0.0034130 k( 31) = ( 0.0000000 0.3947368 0.0000000), wk = 0.0034130 k( 32) = ( 0.0000000 0.4078947 0.0000000), wk = 0.0034130 k( 33) = ( 0.0000000 0.4210526 0.0000000), wk = 0.0034130 k( 34) = ( 0.0000000 0.4342105 0.0000000), wk = 0.0034130 k( 35) = ( 0.0000000 0.4473684 0.0000000), wk = 0.0034130 k( 36) = ( 0.0000000 0.4605263 0.0000000), wk = 0.0034130 k( 37) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0034130 k( 38) = ( 0.0000000 0.4868421 0.0000000), wk = 0.0034130 k( 39) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034130 k( 40) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034130 k( 41) = ( 0.0131579 0.5000000 0.0000000), wk = 0.0034130 k( 42) = ( 0.0263158 0.5000000 0.0000000), wk = 0.0034130 k( 43) = ( 0.0394737 0.5000000 0.0000000), wk = 0.0034130 k( 44) = ( 0.0526316 0.5000000 0.0000000), wk = 0.0034130 k( 45) = ( 0.0657895 0.5000000 0.0000000), wk = 0.0034130 k( 46) = ( 0.0789474 0.5000000 0.0000000), wk = 0.0034130 k( 47) = ( 0.0921053 0.5000000 0.0000000), wk = 0.0034130 k( 48) = ( 0.1052632 0.5000000 0.0000000), wk = 0.0034130 k( 49) = ( 0.1184210 0.5000000 0.0000000), wk = 0.0034130 k( 50) = ( 0.1315790 0.5000000 0.0000000), wk = 0.0034130 k( 51) = ( 0.1447368 0.5000000 0.0000000), wk = 0.0034130 k( 52) = ( 0.1578947 0.5000000 0.0000000), wk = 0.0034130 k( 53) = ( 0.1710526 0.5000000 0.0000000), wk = 0.0034130 k( 54) = ( 0.1842105 0.5000000 0.0000000), wk = 0.0034130 k( 55) = ( 0.1973684 0.5000000 0.0000000), wk = 0.0034130 k( 56) = ( 0.2105263 0.5000000 0.0000000), wk = 0.0034130 k( 57) = ( 0.2236842 0.5000000 0.0000000), wk = 0.0034130 k( 58) = ( 0.2368421 0.5000000 0.0000000), wk = 0.0034130 k( 59) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0034130 k( 60) = ( 0.2631579 0.5000000 0.0000000), wk = 0.0034130 k( 61) = ( 0.2763158 0.5000000 0.0000000), wk = 0.0034130 k( 62) = ( 0.2894737 0.5000000 0.0000000), wk = 0.0034130 k( 63) = ( 0.3026316 0.5000000 0.0000000), wk = 0.0034130 k( 64) = ( 0.3157895 0.5000000 0.0000000), wk = 0.0034130 k( 65) = ( 0.3289474 0.5000000 0.0000000), wk = 0.0034130 k( 66) = ( 0.3421053 0.5000000 0.0000000), wk = 0.0034130 k( 67) = ( 0.3552632 0.5000000 0.0000000), wk = 0.0034130 k( 68) = ( 0.3684211 0.5000000 0.0000000), wk = 0.0034130 k( 69) = ( 0.3815789 0.5000000 0.0000000), wk = 0.0034130 k( 70) = ( 0.3947368 0.5000000 0.0000000), wk = 0.0034130 k( 71) = ( 0.4078947 0.5000000 0.0000000), wk = 0.0034130 k( 72) = ( 0.4210526 0.5000000 0.0000000), wk = 0.0034130 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0034130 k( 74) = ( 0.4473684 0.5000000 0.0000000), wk = 0.0034130 k( 75) = ( 0.4605263 0.5000000 0.0000000), wk = 0.0034130 k( 76) = ( 0.4736842 0.5000000 0.0000000), wk = 0.0034130 k( 77) = ( 0.4868421 0.5000000 0.0000000), wk = 0.0034130 k( 78) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034130 k( 79) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034130 k( 80) = ( 0.4907407 0.4907407 0.0000000), wk = 0.0034130 k( 81) = ( 0.4814815 0.4814815 0.0000000), wk = 0.0034130 k( 82) = ( 0.4722222 0.4722222 0.0000000), wk = 0.0034130 k( 83) = ( 0.4629630 0.4629630 0.0000000), wk = 0.0034130 k( 84) = ( 0.4537037 0.4537037 0.0000000), wk = 0.0034130 k( 85) = ( 0.4444444 0.4444444 0.0000000), wk = 0.0034130 k( 86) = ( 0.4351852 0.4351852 0.0000000), wk = 0.0034130 k( 87) = ( 0.4259259 0.4259259 0.0000000), wk = 0.0034130 k( 88) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0034130 k( 89) = ( 0.4074074 0.4074074 0.0000000), wk = 0.0034130 k( 90) = ( 0.3981481 0.3981481 0.0000000), wk = 0.0034130 k( 91) = ( 0.3888889 0.3888889 0.0000000), wk = 0.0034130 k( 92) = ( 0.3796296 0.3796296 0.0000000), wk = 0.0034130 k( 93) = ( 0.3703704 0.3703704 0.0000000), wk = 0.0034130 k( 94) = ( 0.3611111 0.3611111 0.0000000), wk = 0.0034130 k( 95) = ( 0.3518519 0.3518519 0.0000000), wk = 0.0034130 k( 96) = ( 0.3425926 0.3425926 0.0000000), wk = 0.0034130 k( 97) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034130 k( 98) = ( 0.3240741 0.3240741 0.0000000), wk = 0.0034130 k( 99) = ( 0.3148148 0.3148148 0.0000000), wk = 0.0034130 k( 100) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0034130 k( 101) = ( 0.2962963 0.2962963 0.0000000), wk = 0.0034130 k( 102) = ( 0.2870370 0.2870370 0.0000000), wk = 0.0034130 k( 103) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0034130 k( 104) = ( 0.2685185 0.2685185 0.0000000), wk = 0.0034130 k( 105) = ( 0.2592593 0.2592593 0.0000000), wk = 0.0034130 k( 106) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0034130 k( 107) = ( 0.2407407 0.2407407 0.0000000), wk = 0.0034130 k( 108) = ( 0.2314815 0.2314815 0.0000000), wk = 0.0034130 k( 109) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0034130 k( 110) = ( 0.2129630 0.2129630 0.0000000), wk = 0.0034130 k( 111) = ( 0.2037037 0.2037037 0.0000000), wk = 0.0034130 k( 112) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0034130 k( 113) = ( 0.1851852 0.1851852 0.0000000), wk = 0.0034130 k( 114) = ( 0.1759259 0.1759259 0.0000000), wk = 0.0034130 k( 115) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0034130 k( 116) = ( 0.1574074 0.1574074 0.0000000), wk = 0.0034130 k( 117) = ( 0.1481482 0.1481482 0.0000000), wk = 0.0034130 k( 118) = ( 0.1388889 0.1388889 0.0000000), wk = 0.0034130 k( 119) = ( 0.1296296 0.1296296 0.0000000), wk = 0.0034130 k( 120) = ( 0.1203704 0.1203704 0.0000000), wk = 0.0034130 k( 121) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0034130 k( 122) = ( 0.1018518 0.1018518 0.0000000), wk = 0.0034130 k( 123) = ( 0.0925926 0.0925926 0.0000000), wk = 0.0034130 k( 124) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0034130 k( 125) = ( 0.0740741 0.0740741 0.0000000), wk = 0.0034130 k( 126) = ( 0.0648148 0.0648148 0.0000000), wk = 0.0034130 k( 127) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0034130 k( 128) = ( 0.0462963 0.0462963 0.0000000), wk = 0.0034130 k( 129) = ( 0.0370370 0.0370370 0.0000000), wk = 0.0034130 k( 130) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0034130 k( 131) = ( 0.0185185 0.0185185 0.0000000), wk = 0.0034130 k( 132) = ( 0.0092593 0.0092593 0.0000000), wk = 0.0034130 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 134) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 135) = ( 0.0076923 0.0076923 0.0076923), wk = 0.0034130 k( 136) = ( 0.0153846 0.0153846 0.0153846), wk = 0.0034130 k( 137) = ( 0.0230769 0.0230769 0.0230769), wk = 0.0034130 k( 138) = ( 0.0307692 0.0307692 0.0307692), wk = 0.0034130 k( 139) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0034130 k( 140) = ( 0.0461539 0.0461539 0.0461539), wk = 0.0034130 k( 141) = ( 0.0538462 0.0538462 0.0538462), wk = 0.0034130 k( 142) = ( 0.0615385 0.0615385 0.0615385), wk = 0.0034130 k( 143) = ( 0.0692308 0.0692308 0.0692308), wk = 0.0034130 k( 144) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0034130 k( 145) = ( 0.0846154 0.0846154 0.0846154), wk = 0.0034130 k( 146) = ( 0.0923077 0.0923077 0.0923077), wk = 0.0034130 k( 147) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0034130 k( 148) = ( 0.1076923 0.1076923 0.1076923), wk = 0.0034130 k( 149) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0034130 k( 150) = ( 0.1230769 0.1230769 0.1230769), wk = 0.0034130 k( 151) = ( 0.1307692 0.1307692 0.1307692), wk = 0.0034130 k( 152) = ( 0.1384615 0.1384615 0.1384615), wk = 0.0034130 k( 153) = ( 0.1461539 0.1461539 0.1461539), wk = 0.0034130 k( 154) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0034130 k( 155) = ( 0.1615385 0.1615385 0.1615385), wk = 0.0034130 k( 156) = ( 0.1692308 0.1692308 0.1692308), wk = 0.0034130 k( 157) = ( 0.1769231 0.1769231 0.1769231), wk = 0.0034130 k( 158) = ( 0.1846154 0.1846154 0.1846154), wk = 0.0034130 k( 159) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0034130 k( 160) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0034130 k( 161) = ( 0.2076923 0.2076923 0.2076923), wk = 0.0034130 k( 162) = ( 0.2153846 0.2153846 0.2153846), wk = 0.0034130 k( 163) = ( 0.2230769 0.2230769 0.2230769), wk = 0.0034130 k( 164) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0034130 k( 165) = ( 0.2384615 0.2384615 0.2384615), wk = 0.0034130 k( 166) = ( 0.2461539 0.2461539 0.2461539), wk = 0.0034130 k( 167) = ( 0.2538461 0.2538461 0.2538461), wk = 0.0034130 k( 168) = ( 0.2615385 0.2615385 0.2615385), wk = 0.0034130 k( 169) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0034130 k( 170) = ( 0.2769231 0.2769231 0.2769231), wk = 0.0034130 k( 171) = ( 0.2846154 0.2846154 0.2846154), wk = 0.0034130 k( 172) = ( 0.2923077 0.2923077 0.2923077), wk = 0.0034130 k( 173) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0034130 k( 174) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0034130 k( 175) = ( 0.3153846 0.3153846 0.3153846), wk = 0.0034130 k( 176) = ( 0.3230769 0.3230769 0.3230769), wk = 0.0034130 k( 177) = ( 0.3307692 0.3307692 0.3307692), wk = 0.0034130 k( 178) = ( 0.3384615 0.3384615 0.3384615), wk = 0.0034130 k( 179) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0034130 k( 180) = ( 0.3538462 0.3538462 0.3538462), wk = 0.0034130 k( 181) = ( 0.3615385 0.3615385 0.3615385), wk = 0.0034130 k( 182) = ( 0.3692308 0.3692308 0.3692308), wk = 0.0034130 k( 183) = ( 0.3769231 0.3769231 0.3769231), wk = 0.0034130 k( 184) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0034130 k( 185) = ( 0.3923077 0.3923077 0.3923077), wk = 0.0034130 k( 186) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0034130 k( 187) = ( 0.4076923 0.4076923 0.4076923), wk = 0.0034130 k( 188) = ( 0.4153846 0.4153846 0.4153846), wk = 0.0034130 k( 189) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0034130 k( 190) = ( 0.4307692 0.4307692 0.4307692), wk = 0.0034130 k( 191) = ( 0.4384615 0.4384615 0.4384615), wk = 0.0034130 k( 192) = ( 0.4461539 0.4461539 0.4461539), wk = 0.0034130 k( 193) = ( 0.4538462 0.4538462 0.4538462), wk = 0.0034130 k( 194) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0034130 k( 195) = ( 0.4692308 0.4692308 0.4692308), wk = 0.0034130 k( 196) = ( 0.4769231 0.4769231 0.4769231), wk = 0.0034130 k( 197) = ( 0.4846154 0.4846154 0.4846154), wk = 0.0034130 k( 198) = ( 0.4923077 0.4923077 0.4923077), wk = 0.0034130 k( 199) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034130 k( 200) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034130 k( 201) = ( 0.4907407 0.5000000 0.4907407), wk = 0.0034130 k( 202) = ( 0.4814815 0.5000000 0.4814815), wk = 0.0034130 k( 203) = ( 0.4722222 0.5000000 0.4722222), wk = 0.0034130 k( 204) = ( 0.4629630 0.5000000 0.4629630), wk = 0.0034130 k( 205) = ( 0.4537037 0.5000000 0.4537037), wk = 0.0034130 k( 206) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0034130 k( 207) = ( 0.4351852 0.5000000 0.4351852), wk = 0.0034130 k( 208) = ( 0.4259259 0.5000000 0.4259259), wk = 0.0034130 k( 209) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0034130 k( 210) = ( 0.4074074 0.5000000 0.4074074), wk = 0.0034130 k( 211) = ( 0.3981481 0.5000000 0.3981481), wk = 0.0034130 k( 212) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0034130 k( 213) = ( 0.3796296 0.5000000 0.3796296), wk = 0.0034130 k( 214) = ( 0.3703704 0.5000000 0.3703704), wk = 0.0034130 k( 215) = ( 0.3611111 0.5000000 0.3611111), wk = 0.0034130 k( 216) = ( 0.3518519 0.5000000 0.3518519), wk = 0.0034130 k( 217) = ( 0.3425926 0.5000000 0.3425926), wk = 0.0034130 k( 218) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0034130 k( 219) = ( 0.3240741 0.5000000 0.3240741), wk = 0.0034130 k( 220) = ( 0.3148148 0.5000000 0.3148148), wk = 0.0034130 k( 221) = ( 0.3055556 0.5000000 0.3055556), wk = 0.0034130 k( 222) = ( 0.2962963 0.5000000 0.2962963), wk = 0.0034130 k( 223) = ( 0.2870370 0.5000000 0.2870370), wk = 0.0034130 k( 224) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0034130 k( 225) = ( 0.2685185 0.5000000 0.2685185), wk = 0.0034130 k( 226) = ( 0.2592593 0.5000000 0.2592593), wk = 0.0034130 k( 227) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0034130 k( 228) = ( 0.2407407 0.5000000 0.2407407), wk = 0.0034130 k( 229) = ( 0.2314815 0.5000000 0.2314815), wk = 0.0034130 k( 230) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0034130 k( 231) = ( 0.2129630 0.5000000 0.2129630), wk = 0.0034130 k( 232) = ( 0.2037037 0.5000000 0.2037037), wk = 0.0034130 k( 233) = ( 0.1944444 0.5000000 0.1944444), wk = 0.0034130 k( 234) = ( 0.1851852 0.5000000 0.1851852), wk = 0.0034130 k( 235) = ( 0.1759259 0.5000000 0.1759259), wk = 0.0034130 k( 236) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0034130 k( 237) = ( 0.1574074 0.5000000 0.1574074), wk = 0.0034130 k( 238) = ( 0.1481482 0.5000000 0.1481482), wk = 0.0034130 k( 239) = ( 0.1388889 0.5000000 0.1388889), wk = 0.0034130 k( 240) = ( 0.1296296 0.5000000 0.1296296), wk = 0.0034130 k( 241) = ( 0.1203704 0.5000000 0.1203704), wk = 0.0034130 k( 242) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0034130 k( 243) = ( 0.1018518 0.5000000 0.1018518), wk = 0.0034130 k( 244) = ( 0.0925926 0.5000000 0.0925926), wk = 0.0034130 k( 245) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0034130 k( 246) = ( 0.0740741 0.5000000 0.0740741), wk = 0.0034130 k( 247) = ( 0.0648148 0.5000000 0.0648148), wk = 0.0034130 k( 248) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0034130 k( 249) = ( 0.0462963 0.5000000 0.0462963), wk = 0.0034130 k( 250) = ( 0.0370370 0.5000000 0.0370370), wk = 0.0034130 k( 251) = ( 0.0277778 0.5000000 0.0277778), wk = 0.0034130 k( 252) = ( 0.0185185 0.5000000 0.0185185), wk = 0.0034130 k( 253) = ( 0.0092593 0.5000000 0.0092593), wk = 0.0034130 k( 254) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0034130 k( 255) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0034130 k( 256) = ( 0.5000000 0.5000000 0.0131579), wk = 0.0034130 k( 257) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0034130 k( 258) = ( 0.5000000 0.5000000 0.0394737), wk = 0.0034130 k( 259) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0034130 k( 260) = ( 0.5000000 0.5000000 0.0657895), wk = 0.0034130 k( 261) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0034130 k( 262) = ( 0.5000000 0.5000000 0.0921053), wk = 0.0034130 k( 263) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0034130 k( 264) = ( 0.5000000 0.5000000 0.1184210), wk = 0.0034130 k( 265) = ( 0.5000000 0.5000000 0.1315790), wk = 0.0034130 k( 266) = ( 0.5000000 0.5000000 0.1447368), wk = 0.0034130 k( 267) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0034130 k( 268) = ( 0.5000000 0.5000000 0.1710526), wk = 0.0034130 k( 269) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0034130 k( 270) = ( 0.5000000 0.5000000 0.1973684), wk = 0.0034130 k( 271) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0034130 k( 272) = ( 0.5000000 0.5000000 0.2236842), wk = 0.0034130 k( 273) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0034130 k( 274) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0034130 k( 275) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0034130 k( 276) = ( 0.5000000 0.5000000 0.2763158), wk = 0.0034130 k( 277) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0034130 k( 278) = ( 0.5000000 0.5000000 0.3026316), wk = 0.0034130 k( 279) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0034130 k( 280) = ( 0.5000000 0.5000000 0.3289474), wk = 0.0034130 k( 281) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0034130 k( 282) = ( 0.5000000 0.5000000 0.3552632), wk = 0.0034130 k( 283) = ( 0.5000000 0.5000000 0.3684211), wk = 0.0034130 k( 284) = ( 0.5000000 0.5000000 0.3815789), wk = 0.0034130 k( 285) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0034130 k( 286) = ( 0.5000000 0.5000000 0.4078947), wk = 0.0034130 k( 287) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0034130 k( 288) = ( 0.5000000 0.5000000 0.4342105), wk = 0.0034130 k( 289) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0034130 k( 290) = ( 0.5000000 0.5000000 0.4605263), wk = 0.0034130 k( 291) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0034130 k( 292) = ( 0.5000000 0.5000000 0.4868421), wk = 0.0034130 k( 293) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034130 Dense grid: 49173 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 18949 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 144, 36) NL pseudopotentials 0.13 Mb ( 72, 118) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1367) G-vector shells 0.00 Mb ( 334) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.32 Mb ( 144, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.13 Mb ( 118, 2, 36) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SrB6.save/charge-density.dat Starting wfc are 64 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 1.8 secs Computing kpt #: 3 total cpu time spent up to now is 2.0 secs Computing kpt #: 4 total cpu time spent up to now is 2.2 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 3.0 secs Computing kpt #: 9 total cpu time spent up to now is 3.2 secs Computing kpt #: 10 total cpu time spent up to now is 3.4 secs Computing kpt #: 11 total cpu time spent up to now is 3.5 secs Computing kpt #: 12 total cpu time spent up to now is 3.7 secs Computing kpt #: 13 total cpu time spent up to now is 3.9 secs Computing kpt #: 14 total cpu time spent up to now is 4.0 secs Computing kpt #: 15 total cpu time spent up to now is 4.2 secs Computing kpt #: 16 total cpu time spent up to now is 4.3 secs Computing kpt #: 17 total cpu time spent up to now is 4.5 secs Computing kpt #: 18 total cpu time spent up to now is 4.7 secs Computing kpt #: 19 total cpu time spent up to now is 4.8 secs Computing kpt #: 20 total cpu time spent up to now is 5.0 secs Computing kpt #: 21 total cpu time spent up to now is 5.2 secs Computing kpt #: 22 total cpu time spent up to now is 5.3 secs Computing kpt #: 23 total cpu time spent up to now is 5.5 secs Computing kpt #: 24 total cpu time spent up to now is 5.7 secs Computing kpt #: 25 total cpu time spent up to now is 5.8 secs Computing kpt #: 26 total cpu time spent up to now is 6.0 secs Computing kpt #: 27 total cpu time spent up to now is 6.2 secs Computing kpt #: 28 total cpu time spent up to now is 6.3 secs Computing kpt #: 29 total cpu time spent up to now is 6.5 secs Computing kpt #: 30 total cpu time spent up to now is 6.7 secs Computing kpt #: 31 total cpu time spent up to now is 6.8 secs Computing kpt #: 32 total cpu time spent up to now is 7.0 secs Computing kpt #: 33 total cpu time spent up to now is 7.2 secs Computing kpt #: 34 total cpu time spent up to now is 7.3 secs Computing kpt #: 35 total cpu time spent up to now is 7.5 secs Computing kpt #: 36 total cpu time spent up to now is 7.6 secs Computing kpt #: 37 total cpu time spent up to now is 7.8 secs Computing kpt #: 38 total cpu time spent up to now is 7.9 secs Computing kpt #: 39 total cpu time spent up to now is 8.1 secs Computing kpt #: 40 total cpu time spent up to now is 8.3 secs Computing kpt #: 41 total cpu time spent up to now is 8.4 secs Computing kpt #: 42 total cpu time spent up to now is 8.6 secs Computing kpt #: 43 total cpu time spent up to now is 8.7 secs Computing kpt #: 44 total cpu time spent up to now is 8.9 secs Computing kpt #: 45 total cpu time spent up to now is 9.0 secs Computing kpt #: 46 total cpu time spent up to now is 9.2 secs Computing kpt #: 47 total cpu time spent up to now is 9.4 secs Computing kpt #: 48 total cpu time spent up to now is 9.5 secs Computing kpt #: 49 total cpu time spent up to now is 9.7 secs Computing kpt #: 50 total cpu time spent up to now is 9.9 secs Computing kpt #: 51 total cpu time spent up to now is 10.0 secs Computing kpt #: 52 total cpu time spent up to now is 10.2 secs Computing kpt #: 53 total cpu time spent up to now is 10.4 secs Computing kpt #: 54 total cpu time spent up to now is 10.6 secs Computing kpt #: 55 total cpu time spent up to now is 10.8 secs Computing kpt #: 56 total cpu time spent up to now is 11.0 secs Computing kpt #: 57 total cpu time spent up to now is 11.1 secs Computing kpt #: 58 total cpu time spent up to now is 11.3 secs Computing kpt #: 59 total cpu time spent up to now is 11.6 secs Computing kpt #: 60 total cpu time spent up to now is 11.8 secs Computing kpt #: 61 total cpu time spent up to now is 12.0 secs Computing kpt #: 62 total cpu time spent up to now is 12.2 secs Computing kpt #: 63 total cpu time spent up to now is 12.5 secs Computing kpt #: 64 total cpu time spent up to now is 12.7 secs Computing kpt #: 65 total cpu time spent up to now is 13.0 secs Computing kpt #: 66 total cpu time spent up to now is 13.2 secs Computing kpt #: 67 total cpu time spent up to now is 13.4 secs Computing kpt #: 68 total cpu time spent up to now is 13.6 secs Computing kpt #: 69 total cpu time spent up to now is 13.8 secs Computing kpt #: 70 total cpu time spent up to now is 14.0 secs Computing kpt #: 71 total cpu time spent up to now is 14.2 secs Computing kpt #: 72 total cpu time spent up to now is 14.4 secs Computing kpt #: 73 total cpu time spent up to now is 14.7 secs Computing kpt #: 74 total cpu time spent up to now is 14.9 secs Computing kpt #: 75 total cpu time spent up to now is 15.1 secs Computing kpt #: 76 total cpu time spent up to now is 15.3 secs Computing kpt #: 77 total cpu time spent up to now is 15.6 secs Computing kpt #: 78 total cpu time spent up to now is 15.8 secs Computing kpt #: 79 total cpu time spent up to now is 16.0 secs Computing kpt #: 80 total cpu time spent up to now is 16.2 secs Computing kpt #: 81 total cpu time spent up to now is 16.5 secs Computing kpt #: 82 total cpu time spent up to now is 16.7 secs Computing kpt #: 83 total cpu time spent up to now is 16.9 secs Computing kpt #: 84 total cpu time spent up to now is 17.1 secs Computing kpt #: 85 total cpu time spent up to now is 17.3 secs Computing kpt #: 86 total cpu time spent up to now is 17.5 secs Computing kpt #: 87 total cpu time spent up to now is 17.8 secs Computing kpt #: 88 total cpu time spent up to now is 17.9 secs Computing kpt #: 89 total cpu time spent up to now is 18.1 secs Computing kpt #: 90 total cpu time spent up to now is 18.4 secs Computing kpt #: 91 total cpu time spent up to now is 18.6 secs Computing kpt #: 92 total cpu time spent up to now is 18.8 secs Computing kpt #: 93 total cpu time spent up to now is 19.2 secs Computing kpt #: 94 total cpu time spent up to now is 19.5 secs Computing kpt #: 95 total cpu time spent up to now is 19.7 secs Computing kpt #: 96 total cpu time spent up to now is 19.9 secs Computing kpt #: 97 total cpu time spent up to now is 20.2 secs Computing kpt #: 98 total cpu time spent up to now is 20.4 secs Computing kpt #: 99 total cpu time spent up to now is 20.7 secs Computing kpt #: 100 total cpu time spent up to now is 20.9 secs Computing kpt #: 101 total cpu time spent up to now is 21.2 secs Computing kpt #: 102 total cpu time spent up to now is 21.4 secs Computing kpt #: 103 total cpu time spent up to now is 21.6 secs Computing kpt #: 104 total cpu time spent up to now is 21.8 secs Computing kpt #: 105 total cpu time spent up to now is 22.0 secs Computing kpt #: 106 total cpu time spent up to now is 22.2 secs Computing kpt #: 107 total cpu time spent up to now is 22.5 secs Computing kpt #: 108 total cpu time spent up to now is 22.7 secs Computing kpt #: 109 total cpu time spent up to now is 22.9 secs Computing kpt #: 110 total cpu time spent up to now is 23.1 secs Computing kpt #: 111 total cpu time spent up to now is 23.3 secs Computing kpt #: 112 total cpu time spent up to now is 23.4 secs Computing kpt #: 113 total cpu time spent up to now is 23.6 secs Computing kpt #: 114 total cpu time spent up to now is 23.8 secs Computing kpt #: 115 total cpu time spent up to now is 23.9 secs Computing kpt #: 116 total cpu time spent up to now is 24.1 secs Computing kpt #: 117 total cpu time spent up to now is 24.3 secs Computing kpt #: 118 total cpu time spent up to now is 24.5 secs Computing kpt #: 119 total cpu time spent up to now is 24.7 secs Computing kpt #: 120 total cpu time spent up to now is 24.9 secs Computing kpt #: 121 total cpu time spent up to now is 25.0 secs Computing kpt #: 122 total cpu time spent up to now is 25.2 secs Computing kpt #: 123 total cpu time spent up to now is 25.4 secs Computing kpt #: 124 total cpu time spent up to now is 25.5 secs Computing kpt #: 125 total cpu time spent up to now is 25.7 secs Computing kpt #: 126 total cpu time spent up to now is 25.9 secs Computing kpt #: 127 total cpu time spent up to now is 26.1 secs Computing kpt #: 128 total cpu time spent up to now is 26.3 secs Computing kpt #: 129 total cpu time spent up to now is 26.5 secs Computing kpt #: 130 total cpu time spent up to now is 26.7 secs Computing kpt #: 131 total cpu time spent up to now is 27.0 secs Computing kpt #: 132 total cpu time spent up to now is 27.2 secs Computing kpt #: 133 total cpu time spent up to now is 27.3 secs Computing kpt #: 134 total cpu time spent up to now is 27.5 secs Computing kpt #: 135 total cpu time spent up to now is 27.6 secs Computing kpt #: 136 total cpu time spent up to now is 27.8 secs Computing kpt #: 137 total cpu time spent up to now is 28.0 secs Computing kpt #: 138 total cpu time spent up to now is 28.2 secs Computing kpt #: 139 total cpu time spent up to now is 28.4 secs Computing kpt #: 140 total cpu time spent up to now is 28.6 secs Computing kpt #: 141 total cpu time spent up to now is 28.9 secs Computing kpt #: 142 total cpu time spent up to now is 29.1 secs Computing kpt #: 143 total cpu time spent up to now is 29.3 secs Computing kpt #: 144 total cpu time spent up to now is 29.6 secs Computing kpt #: 145 total cpu time spent up to now is 29.8 secs Computing kpt #: 146 total cpu time spent up to now is 30.1 secs Computing kpt #: 147 total cpu time spent up to now is 30.7 secs Computing kpt #: 148 total cpu time spent up to now is 30.9 secs Computing kpt #: 149 total cpu time spent up to now is 31.0 secs Computing kpt #: 150 total cpu time spent up to now is 31.2 secs Computing kpt #: 151 total cpu time spent up to now is 31.4 secs Computing kpt #: 152 total cpu time spent up to now is 31.6 secs Computing kpt #: 153 total cpu time spent up to now is 31.8 secs Computing kpt #: 154 total cpu time spent up to now is 32.0 secs Computing kpt #: 155 total cpu time spent up to now is 32.2 secs Computing kpt #: 156 total cpu time spent up to now is 32.4 secs Computing kpt #: 157 total cpu time spent up to now is 32.5 secs Computing kpt #: 158 total cpu time spent up to now is 32.7 secs Computing kpt #: 159 total cpu time spent up to now is 32.9 secs Computing kpt #: 160 total cpu time spent up to now is 33.1 secs Computing kpt #: 161 total cpu time spent up to now is 33.3 secs Computing kpt #: 162 total cpu time spent up to now is 33.5 secs Computing kpt #: 163 total cpu time spent up to now is 33.7 secs Computing kpt #: 164 total cpu time spent up to now is 33.9 secs Computing kpt #: 165 total cpu time spent up to now is 34.1 secs Computing kpt #: 166 total cpu time spent up to now is 34.3 secs Computing kpt #: 167 total cpu time spent up to now is 34.5 secs Computing kpt #: 168 total cpu time spent up to now is 34.7 secs Computing kpt #: 169 total cpu time spent up to now is 34.9 secs Computing kpt #: 170 total cpu time spent up to now is 35.1 secs Computing kpt #: 171 total cpu time spent up to now is 35.3 secs Computing kpt #: 172 total cpu time spent up to now is 35.4 secs Computing kpt #: 173 total cpu time spent up to now is 35.6 secs Computing kpt #: 174 total cpu time spent up to now is 35.8 secs Computing kpt #: 175 total cpu time spent up to now is 36.0 secs Computing kpt #: 176 total cpu time spent up to now is 36.2 secs Computing kpt #: 177 total cpu time spent up to now is 36.4 secs Computing kpt #: 178 total cpu time spent up to now is 36.6 secs Computing kpt #: 179 total cpu time spent up to now is 36.8 secs Computing kpt #: 180 total cpu time spent up to now is 37.0 secs Computing kpt #: 181 total cpu time spent up to now is 37.1 secs Computing kpt #: 182 total cpu time spent up to now is 37.3 secs Computing kpt #: 183 total cpu time spent up to now is 37.5 secs Computing kpt #: 184 total cpu time spent up to now is 37.8 secs Computing kpt #: 185 total cpu time spent up to now is 38.0 secs Computing kpt #: 186 total cpu time spent up to now is 38.2 secs Computing kpt #: 187 total cpu time spent up to now is 38.5 secs Computing kpt #: 188 total cpu time spent up to now is 38.7 secs Computing kpt #: 189 total cpu time spent up to now is 38.9 secs Computing kpt #: 190 total cpu time spent up to now is 39.2 secs Computing kpt #: 191 total cpu time spent up to now is 39.4 secs Computing kpt #: 192 total cpu time spent up to now is 39.7 secs Computing kpt #: 193 total cpu time spent up to now is 40.0 secs Computing kpt #: 194 total cpu time spent up to now is 40.2 secs Computing kpt #: 195 total cpu time spent up to now is 40.5 secs Computing kpt #: 196 total cpu time spent up to now is 40.8 secs Computing kpt #: 197 total cpu time spent up to now is 41.2 secs Computing kpt #: 198 total cpu time spent up to now is 41.6 secs Computing kpt #: 199 total cpu time spent up to now is 41.9 secs Computing kpt #: 200 total cpu time spent up to now is 42.3 secs Computing kpt #: 201 total cpu time spent up to now is 42.6 secs Computing kpt #: 202 total cpu time spent up to now is 43.0 secs Computing kpt #: 203 total cpu time spent up to now is 43.3 secs Computing kpt #: 204 total cpu time spent up to now is 43.5 secs Computing kpt #: 205 total cpu time spent up to now is 43.8 secs Computing kpt #: 206 total cpu time spent up to now is 44.1 secs Computing kpt #: 207 total cpu time spent up to now is 44.3 secs Computing kpt #: 208 total cpu time spent up to now is 44.6 secs Computing kpt #: 209 total cpu time spent up to now is 44.8 secs Computing kpt #: 210 total cpu time spent up to now is 45.1 secs Computing kpt #: 211 total cpu time spent up to now is 45.3 secs Computing kpt #: 212 total cpu time spent up to now is 45.5 secs Computing kpt #: 213 total cpu time spent up to now is 45.7 secs Computing kpt #: 214 total cpu time spent up to now is 46.0 secs Computing kpt #: 215 total cpu time spent up to now is 46.2 secs Computing kpt #: 216 total cpu time spent up to now is 46.4 secs Computing kpt #: 217 total cpu time spent up to now is 46.6 secs Computing kpt #: 218 total cpu time spent up to now is 46.8 secs Computing kpt #: 219 total cpu time spent up to now is 47.0 secs Computing kpt #: 220 total cpu time spent up to now is 47.2 secs Computing kpt #: 221 total cpu time spent up to now is 47.5 secs Computing kpt #: 222 total cpu time spent up to now is 47.7 secs Computing kpt #: 223 total cpu time spent up to now is 47.9 secs Computing kpt #: 224 total cpu time spent up to now is 48.1 secs Computing kpt #: 225 total cpu time spent up to now is 48.3 secs Computing kpt #: 226 total cpu time spent up to now is 48.5 secs Computing kpt #: 227 total cpu time spent up to now is 48.7 secs Computing kpt #: 228 total cpu time spent up to now is 48.9 secs Computing kpt #: 229 total cpu time spent up to now is 49.1 secs Computing kpt #: 230 total cpu time spent up to now is 49.3 secs Computing kpt #: 231 total cpu time spent up to now is 49.5 secs Computing kpt #: 232 total cpu time spent up to now is 49.7 secs Computing kpt #: 233 total cpu time spent up to now is 49.9 secs Computing kpt #: 234 total cpu time spent up to now is 50.0 secs Computing kpt #: 235 total cpu time spent up to now is 50.2 secs Computing kpt #: 236 total cpu time spent up to now is 50.4 secs Computing kpt #: 237 total cpu time spent up to now is 50.6 secs Computing kpt #: 238 total cpu time spent up to now is 50.8 secs Computing kpt #: 239 total cpu time spent up to now is 51.0 secs Computing kpt #: 240 total cpu time spent up to now is 51.1 secs Computing kpt #: 241 total cpu time spent up to now is 51.3 secs Computing kpt #: 242 total cpu time spent up to now is 51.5 secs Computing kpt #: 243 total cpu time spent up to now is 51.7 secs Computing kpt #: 244 total cpu time spent up to now is 51.9 secs Computing kpt #: 245 total cpu time spent up to now is 52.1 secs Computing kpt #: 246 total cpu time spent up to now is 52.2 secs Computing kpt #: 247 total cpu time spent up to now is 52.4 secs Computing kpt #: 248 total cpu time spent up to now is 52.6 secs Computing kpt #: 249 total cpu time spent up to now is 52.8 secs Computing kpt #: 250 total cpu time spent up to now is 53.0 secs Computing kpt #: 251 total cpu time spent up to now is 53.1 secs Computing kpt #: 252 total cpu time spent up to now is 53.3 secs Computing kpt #: 253 total cpu time spent up to now is 53.4 secs Computing kpt #: 254 total cpu time spent up to now is 53.6 secs Computing kpt #: 255 total cpu time spent up to now is 53.8 secs Computing kpt #: 256 total cpu time spent up to now is 54.0 secs Computing kpt #: 257 total cpu time spent up to now is 54.2 secs Computing kpt #: 258 total cpu time spent up to now is 54.5 secs Computing kpt #: 259 total cpu time spent up to now is 54.7 secs Computing kpt #: 260 total cpu time spent up to now is 54.9 secs Computing kpt #: 261 total cpu time spent up to now is 55.1 secs Computing kpt #: 262 total cpu time spent up to now is 55.3 secs Computing kpt #: 263 total cpu time spent up to now is 55.6 secs Computing kpt #: 264 total cpu time spent up to now is 55.8 secs Computing kpt #: 265 total cpu time spent up to now is 56.0 secs Computing kpt #: 266 total cpu time spent up to now is 56.2 secs Computing kpt #: 267 total cpu time spent up to now is 56.5 secs Computing kpt #: 268 total cpu time spent up to now is 56.7 secs Computing kpt #: 269 total cpu time spent up to now is 56.9 secs Computing kpt #: 270 total cpu time spent up to now is 57.1 secs Computing kpt #: 271 total cpu time spent up to now is 57.3 secs Computing kpt #: 272 total cpu time spent up to now is 57.5 secs Computing kpt #: 273 total cpu time spent up to now is 57.8 secs Computing kpt #: 274 total cpu time spent up to now is 58.0 secs Computing kpt #: 275 total cpu time spent up to now is 58.3 secs Computing kpt #: 276 total cpu time spent up to now is 58.5 secs Computing kpt #: 277 total cpu time spent up to now is 58.8 secs Computing kpt #: 278 total cpu time spent up to now is 59.0 secs Computing kpt #: 279 total cpu time spent up to now is 59.2 secs Computing kpt #: 280 total cpu time spent up to now is 59.5 secs Computing kpt #: 281 total cpu time spent up to now is 59.7 secs Computing kpt #: 282 total cpu time spent up to now is 59.9 secs Computing kpt #: 283 total cpu time spent up to now is 60.1 secs Computing kpt #: 284 total cpu time spent up to now is 60.4 secs Computing kpt #: 285 total cpu time spent up to now is 60.6 secs Computing kpt #: 286 total cpu time spent up to now is 60.9 secs Computing kpt #: 287 total cpu time spent up to now is 61.1 secs Computing kpt #: 288 total cpu time spent up to now is 61.4 secs Computing kpt #: 289 total cpu time spent up to now is 61.7 secs Computing kpt #: 290 total cpu time spent up to now is 62.0 secs Computing kpt #: 291 total cpu time spent up to now is 62.4 secs Computing kpt #: 292 total cpu time spent up to now is 62.7 secs Computing kpt #: 293 total cpu time spent up to now is 63.1 secs ethr = 3.57E-08, avg # of iterations = 21.4 total cpu time spent up to now is 63.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2373 PWs) bands (ev): -25.7842 -25.7842 -8.5979 -8.5979 -7.4645 -7.4645 -7.4645 -7.4645 -5.5127 -5.5127 2.2772 2.2772 2.4428 2.4428 2.4778 2.4778 2.4778 2.4778 3.8459 3.8459 3.8459 3.8459 8.4438 8.4438 8.4438 8.4438 8.4478 8.4478 11.8745 11.8745 11.8745 11.8745 11.8762 11.8762 13.0639 13.0639 k = 0.0000 0.0132-0.0000 ( 2373 PWs) bands (ev): -25.7841 -25.7841 -8.5980 -8.5980 -7.4649 -7.4649 -7.4644 -7.4644 -5.5118 -5.5118 2.2467 2.2467 2.4490 2.4490 2.4780 2.4780 2.4956 2.4956 3.8465 3.8465 3.8551 3.8551 8.4391 8.4391 8.4410 8.4410 8.4464 8.4464 11.8569 11.8569 11.8802 11.8802 11.8814 11.8814 13.0657 13.0657 k = 0.0000 0.0263-0.0000 ( 2365 PWs) bands (ev): -25.7841 -25.7841 -8.5983 -8.5983 -7.4662 -7.4662 -7.4642 -7.4642 -5.5092 -5.5092 2.1790 2.1790 2.4534 2.4534 2.4789 2.4789 2.5394 2.5394 3.8484 3.8484 3.8824 3.8824 8.4250 8.4250 8.4277 8.4277 8.4474 8.4474 11.8056 11.8056 11.8972 11.8972 11.8984 11.8984 13.0712 13.0712 k = 0.0000 0.0395-0.0000 ( 2357 PWs) bands (ev): -25.7840 -25.7840 -8.5989 -8.5989 -7.4684 -7.4684 -7.4640 -7.4640 -5.5047 -5.5047 2.0963 2.0963 2.4561 2.4561 2.4803 2.4803 2.5883 2.5883 3.8514 3.8514 3.9269 3.9269 8.4019 8.4019 8.4049 8.4049 8.4499 8.4499 11.7289 11.7289 11.9250 11.9250 11.9261 11.9261 13.0802 13.0802 k = 0.0000 0.0526-0.0000 ( 2373 PWs) bands (ev): -25.7839 -25.7839 -8.5997 -8.5997 -7.4715 -7.4715 -7.4635 -7.4635 -5.4986 -5.4986 2.0059 2.0059 2.4586 2.4586 2.4823 2.4823 2.6344 2.6344 3.8556 3.8556 3.9871 3.9871 8.3704 8.3704 8.3737 8.3737 8.4534 8.4534 11.6345 11.6345 11.9627 11.9627 11.9639 11.9639 13.0929 13.0929 k = 0.0000 0.0658-0.0000 ( 2373 PWs) bands (ev): -25.7838 -25.7838 -8.6007 -8.6007 -7.4753 -7.4753 -7.4630 -7.4630 -5.4908 -5.4908 1.9109 1.9109 2.4616 2.4616 2.4848 2.4848 2.6759 2.6759 3.8610 3.8610 4.0612 4.0612 8.3313 8.3313 8.3350 8.3350 8.4580 8.4580 11.5288 11.5288 12.0093 12.0093 12.0105 12.0105 13.1090 13.1090 k = 0.0000 0.0789-0.0000 ( 2369 PWs) bands (ev): -25.7837 -25.7837 -8.6020 -8.6020 -7.4799 -7.4799 -7.4624 -7.4624 -5.4814 -5.4814 1.8129 1.8129 2.4652 2.4652 2.4879 2.4879 2.7129 2.7129 3.8676 3.8676 4.1474 4.1474 8.2853 8.2853 8.2895 8.2895 8.4635 8.4635 11.4161 11.4161 12.0636 12.0636 12.0649 12.0649 13.1286 13.1286 k = 0.0000 0.0921-0.0000 ( 2373 PWs) bands (ev): -25.7835 -25.7835 -8.6035 -8.6035 -7.4851 -7.4851 -7.4617 -7.4617 -5.4704 -5.4704 1.7131 1.7131 2.4692 2.4692 2.4915 2.4915 2.7459 2.7459 3.8753 3.8753 4.2438 4.2438 8.2334 8.2334 8.2381 8.2381 8.4700 8.4700 11.2992 11.2992 12.1240 12.1240 12.1254 12.1254 13.1515 13.1515 k = 0.0000 0.1053-0.0000 ( 2373 PWs) bands (ev): -25.7833 -25.7833 -8.6052 -8.6052 -7.4910 -7.4910 -7.4608 -7.4608 -5.4580 -5.4580 1.6124 1.6124 2.4738 2.4738 2.4955 2.4955 2.7758 2.7758 3.8841 3.8841 4.3486 4.3486 8.1765 8.1765 8.1817 8.1817 8.4774 8.4774 11.1803 11.1803 12.1891 12.1891 12.1907 12.1907 13.1775 13.1775 k = 0.0000 0.1184-0.0000 ( 2373 PWs) bands (ev): -25.7831 -25.7831 -8.6071 -8.6071 -7.4975 -7.4975 -7.4599 -7.4599 -5.4441 -5.4441 1.5113 1.5113 2.4789 2.4789 2.5001 2.5001 2.8031 2.8031 3.8940 3.8940 4.4603 4.4603 8.1155 8.1155 8.1213 8.1213 8.4856 8.4856 11.0605 11.0605 12.2571 12.2571 12.2590 12.2590 13.2065 13.2065 k = 0.0000 0.1316-0.0000 ( 2373 PWs) bands (ev): -25.7829 -25.7829 -8.6092 -8.6092 -7.5045 -7.5045 -7.4589 -7.4589 -5.4290 -5.4290 1.4106 1.4106 2.4845 2.4845 2.5051 2.5051 2.8286 2.8286 3.9049 3.9049 4.5776 4.5776 8.0512 8.0512 8.0576 8.0576 8.4948 8.4948 10.9409 10.9409 12.3264 12.3264 12.3285 12.3285 13.2382 13.2382 k = 0.0000 0.1447-0.0000 ( 2377 PWs) bands (ev): -25.7826 -25.7826 -8.6115 -8.6115 -7.5119 -7.5119 -7.4578 -7.4578 -5.4128 -5.4128 1.3105 1.3105 2.4906 2.4906 2.5106 2.5106 2.8526 2.8526 3.9167 3.9167 4.6995 4.6995 7.9843 7.9843 7.9915 7.9915 8.5047 8.5047 10.8222 10.8222 12.3950 12.3950 12.3975 12.3975 13.2723 13.2723 k = 0.0000 0.1579-0.0000 ( 2377 PWs) bands (ev): -25.7824 -25.7824 -8.6140 -8.6140 -7.5196 -7.5196 -7.4567 -7.4567 -5.3954 -5.3954 1.2116 1.2116 2.4972 2.4972 2.5164 2.5164 2.8757 2.8757 3.9294 3.9294 4.8248 4.8248 7.9157 7.9157 7.9236 7.9236 8.5153 8.5153 10.7048 10.7048 12.4611 12.4611 12.4641 12.4641 13.3086 13.3086 k = 0.0000 0.1711-0.0000 ( 2369 PWs) bands (ev): -25.7821 -25.7821 -8.6166 -8.6166 -7.5276 -7.5276 -7.4554 -7.4554 -5.3771 -5.3771 1.1142 1.1142 2.5041 2.5041 2.5227 2.5227 2.8980 2.8980 3.9431 3.9431 4.9529 4.9529 7.8459 7.8459 7.8546 7.8546 8.5266 8.5266 10.5893 10.5893 12.5231 12.5231 12.5266 12.5266 13.3464 13.3464 k = 0.0000 0.1842-0.0000 ( 2377 PWs) bands (ev): -25.7818 -25.7818 -8.6195 -8.6195 -7.5358 -7.5358 -7.4541 -7.4541 -5.3579 -5.3579 1.0185 1.0185 2.5115 2.5115 2.5292 2.5292 2.9198 2.9198 3.9575 3.9575 5.0829 5.0829 7.7755 7.7755 7.7851 7.7851 8.5386 8.5386 10.4760 10.4760 12.5792 12.5792 12.5834 12.5834 13.3851 13.3851 k = 0.0000 0.1974-0.0000 ( 2393 PWs) bands (ev): -25.7815 -25.7815 -8.6224 -8.6224 -7.5441 -7.5441 -7.4528 -7.4528 -5.3381 -5.3381 0.9247 0.9247 2.5192 2.5192 2.5361 2.5361 2.9411 2.9411 3.9726 3.9726 5.2143 5.2143 7.7051 7.7051 7.7155 7.7155 8.5510 8.5510 10.3651 10.3651 12.6282 12.6282 12.6331 12.6331 13.4241 13.4241 k = 0.0000 0.2105-0.0000 ( 2381 PWs) bands (ev): -25.7812 -25.7812 -8.6255 -8.6255 -7.5525 -7.5525 -7.4514 -7.4514 -5.3176 -5.3176 0.8332 0.8332 2.5271 2.5271 2.5432 2.5432 2.9621 2.9621 3.9883 3.9883 5.3465 5.3465 7.6350 7.6350 7.6464 7.6464 8.5640 8.5640 10.2569 10.2569 12.6690 12.6690 12.6747 12.6747 13.4623 13.4623 k = 0.0000 0.2237-0.0000 ( 2373 PWs) bands (ev): -25.7809 -25.7809 -8.6287 -8.6287 -7.5609 -7.5609 -7.4500 -7.4500 -5.2966 -5.2966 0.7442 0.7442 2.5354 2.5354 2.5505 2.5505 2.9828 2.9828 4.0046 4.0046 5.4790 5.4790 7.5658 7.5658 7.5781 7.5781 8.5774 8.5774 10.1517 10.1517 12.7013 12.7013 12.7077 12.7077 13.4986 13.4986 k = 0.0000 0.2368-0.0000 ( 2373 PWs) bands (ev): -25.7806 -25.7806 -8.6320 -8.6320 -7.5692 -7.5692 -7.4486 -7.4486 -5.2753 -5.2753 0.6578 0.6578 2.5438 2.5438 2.5580 2.5580 3.0033 3.0033 4.0214 4.0214 5.6111 5.6111 7.4978 7.4978 7.5110 7.5110 8.5911 8.5911 10.0497 10.0497 12.7248 12.7248 12.7320 12.7320 13.5315 13.5315 k = 0.0000 0.2500-0.0000 ( 2373 PWs) bands (ev): -25.7803 -25.7803 -8.6353 -8.6353 -7.5774 -7.5774 -7.4472 -7.4472 -5.2539 -5.2539 0.5741 0.5741 2.5524 2.5524 2.5656 2.5656 3.0233 3.0233 4.0385 4.0385 5.7424 5.7424 7.4313 7.4313 7.4455 7.4455 8.6050 8.6050 9.9510 9.9510 12.7400 12.7400 12.7480 12.7480 13.5595 13.5595 k = 0.0000 0.2632-0.0000 ( 2373 PWs) bands (ev): -25.7799 -25.7799 -8.6387 -8.6387 -7.5854 -7.5854 -7.4457 -7.4457 -5.2324 -5.2324 0.4935 0.4935 2.5611 2.5611 2.5733 2.5733 3.0431 3.0431 4.0558 4.0558 5.8724 5.8724 7.3667 7.3667 7.3818 7.3818 8.6191 8.6191 9.8560 9.8560 12.7476 12.7476 12.7563 12.7563 13.5812 13.5812 k = 0.0000 0.2763-0.0000 ( 2352 PWs) bands (ev): -25.7796 -25.7796 -8.6422 -8.6422 -7.5932 -7.5932 -7.4443 -7.4443 -5.2109 -5.2109 0.4161 0.4161 2.5698 2.5698 2.5811 2.5811 3.0624 3.0624 4.0733 4.0733 6.0006 6.0006 7.3041 7.3041 7.3202 7.3202 8.6332 8.6332 9.7646 9.7646 12.7487 12.7487 12.7579 12.7579 13.5955 13.5955 k = 0.0000 0.2895-0.0000 ( 2352 PWs) bands (ev): -25.7793 -25.7793 -8.6456 -8.6456 -7.6007 -7.6007 -7.4429 -7.4429 -5.1896 -5.1896 0.3419 0.3419 2.5784 2.5784 2.5887 2.5887 3.0812 3.0812 4.0908 4.0908 6.1263 6.1263 7.2440 7.2440 7.2610 7.2610 8.6473 8.6473 9.6772 9.6772 12.7444 12.7444 12.7540 12.7540 13.6021 13.6021 k = 0.0000 0.3026-0.0000 ( 2364 PWs) bands (ev): -25.7790 -25.7790 -8.6490 -8.6490 -7.6079 -7.6079 -7.4415 -7.4415 -5.1688 -5.1688 0.2713 0.2713 2.5870 2.5870 2.5963 2.5963 3.0994 3.0994 4.1082 4.1082 6.2491 6.2491 7.1863 7.1863 7.2043 7.2043 8.6613 8.6613 9.5940 9.5940 12.7356 12.7356 12.7456 12.7456 13.6013 13.6013 k = 0.0000 0.3158-0.0000 ( 2364 PWs) bands (ev): -25.7787 -25.7787 -8.6523 -8.6523 -7.6147 -7.6147 -7.4402 -7.4402 -5.1484 -5.1484 0.2043 0.2043 2.5955 2.5955 2.6038 2.6038 3.1170 3.1170 4.1253 4.1253 6.3684 6.3684 7.1315 7.1315 7.1504 7.1504 8.6749 8.6749 9.5150 9.5150 12.7235 12.7235 12.7337 12.7337 13.5943 13.5943 k = 0.0000 0.3289-0.0000 ( 2360 PWs) bands (ev): -25.7784 -25.7784 -8.6556 -8.6556 -7.6212 -7.6212 -7.4389 -7.4389 -5.1286 -5.1286 0.1411 0.1411 2.6037 2.6037 2.6111 2.6111 3.1339 3.1339 4.1421 4.1421 6.4835 6.4835 7.0797 7.0797 7.0995 7.0995 8.6883 8.6883 9.4405 9.4405 12.7090 12.7090 12.7194 12.7194 13.5826 13.5826 k = 0.0000 0.3421-0.0000 ( 2360 PWs) bands (ev): -25.7781 -25.7781 -8.6588 -8.6588 -7.6272 -7.6272 -7.4376 -7.4376 -5.1096 -5.1096 0.0819 0.0819 2.6116 2.6116 2.6181 2.6181 3.1499 3.1499 4.1584 4.1584 6.5939 6.5939 7.0310 7.0310 7.0517 7.0517 8.7012 8.7012 9.3706 9.3706 12.6929 12.6929 12.7034 12.7034 13.5678 13.5678 k = 0.0000 0.3553-0.0000 ( 2360 PWs) bands (ev): -25.7779 -25.7779 -8.6618 -8.6618 -7.6329 -7.6329 -7.4365 -7.4365 -5.0915 -5.0915 0.0267 0.0267 2.6192 2.6192 2.6247 2.6247 3.1650 3.1650 4.1741 4.1741 6.6989 6.6989 6.9856 6.9856 7.0072 7.0072 8.7135 8.7135 9.3056 9.3056 12.6760 12.6760 12.6866 12.6866 13.5514 13.5514 k = 0.0000 0.3684-0.0000 ( 2368 PWs) bands (ev): -25.7776 -25.7776 -8.6646 -8.6646 -7.6381 -7.6381 -7.4354 -7.4354 -5.0745 -5.0745 -0.0242 -0.0242 2.6264 2.6264 2.6311 2.6311 3.1792 3.1792 4.1889 4.1889 6.7978 6.7978 6.9437 6.9437 6.9661 6.9661 8.7251 8.7251 9.2455 9.2455 12.6590 12.6590 12.6696 12.6696 13.5345 13.5345 k = 0.0000 0.3816-0.0000 ( 2368 PWs) bands (ev): -25.7774 -25.7774 -8.6673 -8.6673 -7.6428 -7.6428 -7.4343 -7.4343 -5.0586 -5.0586 -0.0707 -0.0707 2.6331 2.6331 2.6370 2.6370 3.1923 3.1923 4.2029 4.2029 6.8898 6.8898 6.9056 6.9056 6.9285 6.9285 8.7360 8.7360 9.1906 9.1906 12.6422 12.6422 12.6528 12.6528 13.5180 13.5180 k = 0.0000 0.3947-0.0000 ( 2364 PWs) bands (ev): -25.7772 -25.7772 -8.6698 -8.6698 -7.6470 -7.6470 -7.4334 -7.4334 -5.0441 -5.0441 -0.1127 -0.1127 2.6393 2.6393 2.6424 2.6424 3.2042 3.2042 4.2158 4.2158 6.8706 6.8706 6.8946 6.8946 6.9750 6.9750 8.7461 8.7461 9.1410 9.1410 12.6263 12.6263 12.6368 12.6368 13.5026 13.5026 k = 0.0000 0.4079-0.0000 ( 2372 PWs) bands (ev): -25.7770 -25.7770 -8.6720 -8.6720 -7.6508 -7.6508 -7.4326 -7.4326 -5.0309 -5.0309 -0.1501 -0.1501 2.6449 2.6449 2.6473 2.6473 3.2149 3.2149 4.2275 4.2275 6.8398 6.8398 6.8644 6.8644 7.0517 7.0517 8.7552 8.7552 9.0969 9.0969 12.6114 12.6114 12.6219 12.6219 13.4887 13.4887 k = 0.0000 0.4211-0.0000 ( 2384 PWs) bands (ev): -25.7768 -25.7768 -8.6740 -8.6740 -7.6541 -7.6541 -7.4318 -7.4318 -5.0193 -5.0193 -0.1827 -0.1827 2.6499 2.6499 2.6517 2.6517 3.2243 3.2243 4.2379 4.2379 6.8129 6.8129 6.8381 6.8381 7.1198 7.1198 8.7633 8.7633 9.0583 9.0583 12.5980 12.5980 12.6085 12.6085 13.4766 13.4766 k = 0.0000 0.4342-0.0000 ( 2384 PWs) bands (ev): -25.7767 -25.7767 -8.6757 -8.6757 -7.6569 -7.6569 -7.4312 -7.4312 -5.0093 -5.0093 -0.2105 -0.2105 2.6542 2.6542 2.6554 2.6554 3.2323 3.2323 4.2470 4.2470 6.7900 6.7900 6.8157 6.8157 7.1785 7.1785 8.7702 8.7702 9.0254 9.0254 12.5863 12.5863 12.5967 12.5967 13.4665 13.4665 k = 0.0000 0.4474-0.0000 ( 2376 PWs) bands (ev): -25.7766 -25.7766 -8.6771 -8.6771 -7.6592 -7.6592 -7.4307 -7.4307 -5.0009 -5.0009 -0.2334 -0.2334 2.6578 2.6578 2.6586 2.6586 3.2390 3.2390 4.2545 4.2545 6.7711 6.7711 6.7972 6.7972 7.2274 7.2274 8.7760 8.7760 8.9984 8.9984 12.5765 12.5765 12.5868 12.5868 13.4583 13.4583 k = 0.0000 0.4605-0.0000 ( 2376 PWs) bands (ev): -25.7765 -25.7765 -8.6782 -8.6782 -7.6610 -7.6610 -7.4303 -7.4303 -4.9944 -4.9944 -0.2513 -0.2513 2.6606 2.6606 2.6610 2.6610 3.2442 3.2442 4.2605 4.2605 6.7564 6.7564 6.7828 6.7828 7.2660 7.2660 8.7806 8.7806 8.9772 8.9772 12.5687 12.5687 12.5790 12.5790 13.4521 13.4521 k = 0.0000 0.4737-0.0000 ( 2384 PWs) bands (ev): -25.7764 -25.7764 -8.6790 -8.6790 -7.6623 -7.6623 -7.4300 -7.4300 -4.9897 -4.9897 -0.2641 -0.2641 2.6626 2.6626 2.6628 2.6628 3.2480 3.2480 4.2648 4.2648 6.7459 6.7459 6.7725 6.7725 7.2938 7.2938 8.7839 8.7839 8.9621 8.9621 12.5631 12.5631 12.5733 12.5733 13.4477 13.4477 k = 0.0000 0.4868-0.0000 ( 2384 PWs) bands (ev): -25.7764 -25.7764 -8.6795 -8.6795 -7.6630 -7.6630 -7.4298 -7.4298 -4.9868 -4.9868 -0.2718 -0.2718 2.6638 2.6638 2.6639 2.6639 3.2503 3.2503 4.2674 4.2674 6.7395 6.7395 6.7663 6.7663 7.3106 7.3106 8.7859 8.7859 8.9530 8.9530 12.5596 12.5596 12.5699 12.5699 13.4451 13.4451 k = 0.0000 0.5000-0.0000 ( 2392 PWs) bands (ev): -25.7764 -25.7764 -8.6797 -8.6797 -7.6633 -7.6633 -7.4297 -7.4297 -4.9858 -4.9858 -0.2744 -0.2744 2.6642 2.6642 2.6642 2.6642 3.2510 3.2510 4.2682 4.2682 6.7374 6.7374 6.7643 6.7643 7.3163 7.3163 8.7865 8.7865 8.9499 8.9499 12.5585 12.5585 12.5687 12.5687 13.4442 13.4442 k = 0.0000 0.5000-0.0000 ( 2392 PWs) bands (ev): -25.7764 -25.7764 -8.6797 -8.6797 -7.6633 -7.6633 -7.4297 -7.4297 -4.9858 -4.9858 -0.2744 -0.2744 2.6642 2.6642 2.6642 2.6642 3.2510 3.2510 4.2682 4.2682 6.7374 6.7374 6.7643 6.7643 7.3163 7.3163 8.7865 8.7865 8.9499 8.9499 12.5585 12.5585 12.5687 12.5687 13.4442 13.4442 k = 0.0132 0.5000-0.0000 ( 2380 PWs) bands (ev): -25.7763 -25.7763 -8.6797 -8.6797 -7.6632 -7.6632 -7.4299 -7.4299 -4.9859 -4.9859 -0.2732 -0.2732 2.6496 2.6496 2.6651 2.6651 3.2607 3.2607 4.2749 4.2749 6.7326 6.7326 6.7602 6.7602 7.3176 7.3176 8.7798 8.7798 8.9568 8.9568 12.5606 12.5606 12.5743 12.5743 13.4485 13.4485 k = 0.0263 0.5000-0.0000 ( 2376 PWs) bands (ev): -25.7763 -25.7763 -8.6797 -8.6797 -7.6631 -7.6631 -7.4304 -7.4304 -4.9860 -4.9860 -0.2695 -0.2695 2.6090 2.6090 2.6679 2.6679 3.2865 3.2865 4.2950 4.2950 6.7146 6.7146 6.7522 6.7522 7.3214 7.3214 8.7599 8.7599 8.9771 8.9771 12.5602 12.5602 12.5977 12.5977 13.4614 13.4614 k = 0.0395 0.5000-0.0000 ( 2376 PWs) bands (ev): -25.7762 -25.7762 -8.6797 -8.6797 -7.6628 -7.6628 -7.4313 -7.4313 -4.9861 -4.9861 -0.2635 -0.2635 2.5493 2.5493 2.6724 2.6724 3.3213 3.3213 4.3286 4.3286 6.6805 6.6805 6.7445 6.7445 7.3271 7.3271 8.7274 8.7274 9.0102 9.0102 12.5573 12.5573 12.6383 12.6383 13.4827 13.4827 k = 0.0526 0.5000-0.0000 ( 2376 PWs) bands (ev): -25.7761 -25.7761 -8.6797 -8.6797 -7.6624 -7.6624 -7.4326 -7.4326 -4.9864 -4.9864 -0.2551 -0.2551 2.4772 2.4772 2.6787 2.6787 3.3587 3.3587 4.3757 4.3757 6.6325 6.6325 6.7363 6.7363 7.3341 7.3341 8.6831 8.6831 9.0550 9.0550 12.5529 12.5529 12.6943 12.6943 13.5123 13.5123 k = 0.0658 0.5000-0.0000 ( 2372 PWs) bands (ev): -25.7760 -25.7760 -8.6797 -8.6797 -7.6619 -7.6619 -7.4341 -7.4341 -4.9866 -4.9866 -0.2444 -0.2444 2.3972 2.3972 2.6867 2.6867 3.3944 3.3944 4.4357 4.4357 6.5736 6.5736 6.7268 6.7268 7.3420 7.3420 8.6281 8.6281 9.1105 9.1105 12.5473 12.5473 12.7644 12.7644 13.5501 13.5501 k = 0.0789 0.5000-0.0000 ( 2370 PWs) bands (ev): -25.7759 -25.7759 -8.6797 -8.6797 -7.6613 -7.6613 -7.4359 -7.4359 -4.9870 -4.9870 -0.2314 -0.2314 2.3126 2.3126 2.6966 2.6966 3.4259 3.4259 4.5080 4.5080 6.5057 6.5057 6.7158 6.7158 7.3504 7.3504 8.5636 8.5636 9.1752 9.1752 12.5406 12.5406 12.8472 12.8472 13.5956 13.5956 k = 0.0921 0.5000-0.0000 ( 2362 PWs) bands (ev): -25.7757 -25.7757 -8.6798 -8.6798 -7.6607 -7.6607 -7.4380 -7.4380 -4.9874 -4.9874 -0.2162 -0.2162 2.2254 2.2254 2.7081 2.7081 3.4524 3.4524 4.5913 4.5913 6.4305 6.4305 6.7032 6.7032 7.3590 7.3590 8.4908 8.4908 9.2480 9.2480 12.5331 12.5331 12.9414 12.9414 13.6486 13.6486 k = 0.1053 0.5000-0.0000 ( 2356 PWs) bands (ev): -25.7756 -25.7756 -8.6798 -8.6798 -7.6599 -7.6599 -7.4404 -7.4404 -4.9879 -4.9879 -0.1987 -0.1987 2.1370 2.1370 2.7214 2.7214 3.4737 3.4737 4.6843 4.6843 6.3496 6.3496 6.6890 6.6890 7.3678 7.3678 8.4112 8.4112 9.3277 9.3277 12.5248 12.5248 13.0457 13.0457 13.7087 13.7087 k = 0.1184 0.5000-0.0000 ( 2356 PWs) bands (ev): -25.7754 -25.7754 -8.6799 -8.6799 -7.6592 -7.6592 -7.4429 -7.4429 -4.9884 -4.9884 -0.1792 -0.1792 2.0484 2.0484 2.7363 2.7363 3.4904 3.4904 4.7855 4.7855 6.2639 6.2639 6.6734 6.6734 7.3768 7.3768 8.3257 8.3257 9.4135 9.4135 12.5160 12.5160 13.1589 13.1589 13.7753 13.7753 k = 0.1316 0.5000-0.0000 ( 2352 PWs) bands (ev): -25.7751 -25.7751 -8.6800 -8.6800 -7.6583 -7.6583 -7.4456 -7.4456 -4.9890 -4.9890 -0.1576 -0.1576 1.9604 1.9604 2.7529 2.7529 3.5029 3.5029 4.8935 4.8935 6.1747 6.1747 6.6566 6.6566 7.3859 7.3859 8.2355 8.2355 9.5044 9.5044 12.5068 12.5068 13.2796 13.2796 13.8478 13.8478 k = 0.1447 0.5000-0.0000 ( 2360 PWs) bands (ev): -25.7749 -25.7749 -8.6801 -8.6801 -7.6575 -7.6575 -7.4484 -7.4484 -4.9897 -4.9897 -0.1342 -0.1342 1.8733 1.8733 2.7711 2.7711 3.5120 3.5120 5.0072 5.0072 6.0828 6.0828 6.6385 6.6385 7.3951 7.3951 8.1416 8.1416 9.5999 9.5999 12.4973 12.4973 13.4068 13.4068 13.9255 13.9255 k = 0.1579 0.5000-0.0000 ( 2360 PWs) bands (ev): -25.7746 -25.7746 -8.6803 -8.6803 -7.6567 -7.6567 -7.4512 -7.4512 -4.9904 -4.9904 -0.1089 -0.1089 1.7877 1.7877 2.7907 2.7907 3.5183 3.5183 5.1253 5.1253 5.9889 5.9889 6.6194 6.6194 7.4045 7.4045 8.0449 8.0449 9.6992 9.6992 12.4876 12.4876 13.5395 13.5395 14.0076 14.0076 k = 0.1711 0.5000-0.0000 ( 2362 PWs) bands (ev): -25.7744 -25.7744 -8.6805 -8.6805 -7.6559 -7.6559 -7.4541 -7.4541 -4.9912 -4.9912 -0.0819 -0.0819 1.7039 1.7039 2.8119 2.8119 3.5221 3.5221 5.2470 5.2470 5.8936 5.8936 6.5994 6.5994 7.4140 7.4140 7.9461 7.9461 9.8021 9.8021 12.4781 12.4781 13.6766 13.6766 14.0929 14.0929 k = 0.1842 0.5000-0.0000 ( 2362 PWs) bands (ev): -25.7741 -25.7741 -8.6808 -8.6808 -7.6551 -7.6551 -7.4569 -7.4569 -4.9920 -4.9920 -0.0533 -0.0533 1.6221 1.6221 2.8345 2.8345 3.5241 3.5241 5.3715 5.3715 5.7976 5.7976 6.5787 6.5787 7.4237 7.4237 7.8460 7.8460 9.9080 9.9080 12.4686 12.4686 13.8173 13.8173 14.1803 14.1803 k = 0.1974 0.5000-0.0000 ( 2362 PWs) bands (ev): -25.7738 -25.7738 -8.6811 -8.6811 -7.6544 -7.6544 -7.4597 -7.4597 -4.9929 -4.9929 -0.0232 -0.0232 1.5426 1.5426 2.8584 2.8584 3.5244 3.5244 5.4980 5.4980 5.7014 5.7014 6.5575 6.5575 7.4335 7.4335 7.7453 7.7453 10.0168 10.0168 12.4594 12.4594 13.9607 13.9607 14.2681 14.2681 k = 0.2105 0.5000-0.0000 ( 2366 PWs) bands (ev): -25.7735 -25.7735 -8.6814 -8.6814 -7.6538 -7.6538 -7.4624 -7.4624 -4.9938 -4.9938 0.0082 0.0082 1.4656 1.4656 2.8835 2.8835 3.5235 3.5235 5.6052 5.6052 5.6260 5.6260 6.5358 6.5358 7.4434 7.4434 7.6444 7.6444 10.1281 10.1281 12.4506 12.4506 14.1059 14.1059 14.3542 14.3542 k = 0.2237 0.5000-0.0000 ( 2362 PWs) bands (ev): -25.7732 -25.7732 -8.6818 -8.6818 -7.6533 -7.6533 -7.4650 -7.4650 -4.9947 -4.9947 0.0407 0.0407 1.3912 1.3912 2.9098 2.9098 3.5215 3.5215 5.5100 5.5100 5.7546 5.7546 6.5139 6.5139 7.4535 7.4535 7.5439 7.5439 10.2417 10.2417 12.4423 12.4423 14.2521 14.2521 14.4362 14.4362 k = 0.2368 0.5000-0.0000 ( 2362 PWs) bands (ev): -25.7729 -25.7729 -8.6823 -8.6823 -7.6528 -7.6528 -7.4673 -7.4673 -4.9957 -4.9957 0.0742 0.0742 1.3196 1.3196 2.9372 2.9372 3.5187 3.5187 5.4157 5.4157 5.8835 5.8835 6.4919 6.4919 7.4442 7.4442 7.4636 7.4636 10.3574 10.3574 12.4344 12.4344 14.3982 14.3982 14.5110 14.5110 k = 0.2500 0.5000-0.0000 ( 2356 PWs) bands (ev): -25.7726 -25.7726 -8.6828 -8.6828 -7.6525 -7.6525 -7.4695 -7.4695 -4.9967 -4.9967 0.1085 0.1085 1.2509 1.2509 2.9655 2.9655 3.5152 3.5152 5.3228 5.3228 6.0121 6.0121 6.4700 6.4700 7.3458 7.3458 7.4736 7.4736 10.4751 10.4751 12.4271 12.4271 14.5407 14.5407 14.5773 14.5773 k = 0.2632 0.5000-0.0000 ( 2360 PWs) bands (ev): -25.7723 -25.7723 -8.6833 -8.6833 -7.6523 -7.6523 -7.4714 -7.4714 -4.9977 -4.9977 0.1434 0.1434 1.1852 1.1852 2.9945 2.9945 3.5113 3.5113 5.2317 5.2317 6.1399 6.1399 6.4482 6.4482 7.2492 7.2492 7.4837 7.4837 10.5945 10.5945 12.4205 12.4205 14.6175 14.6175 14.6925 14.6925 k = 0.2763 0.5000-0.0000 ( 2360 PWs) bands (ev): -25.7720 -25.7720 -8.6839 -8.6839 -7.6523 -7.6523 -7.4732 -7.4732 -4.9987 -4.9987 0.1788 0.1788 1.1225 1.1225 3.0242 3.0242 3.5069 3.5069 5.1427 5.1427 6.2663 6.2663 6.4268 6.4268 7.1545 7.1545 7.4937 7.4937 10.7154 10.7154 12.4144 12.4144 14.6480 14.6480 14.8335 14.8335 k = 0.2895 0.5000-0.0000 ( 2356 PWs) bands (ev): -25.7716 -25.7716 -8.6845 -8.6845 -7.6524 -7.6524 -7.4746 -7.4746 -4.9998 -4.9998 0.2143 0.2143 1.0631 1.0631 3.0544 3.0544 3.5023 3.5023 5.0562 5.0562 6.3907 6.3907 6.4060 6.4060 7.0624 7.0624 7.5035 7.5035 10.8376 10.8376 12.4091 12.4091 14.6594 14.6594 14.9720 14.9720 k = 0.3026 0.5000-0.0000 ( 2356 PWs) bands (ev): -25.7713 -25.7713 -8.6852 -8.6852 -7.6525 -7.6525 -7.4758 -7.4758 -5.0008 -5.0008 0.2497 0.2497 1.0069 1.0069 3.0848 3.0848 3.4975 3.4975 4.9724 4.9724 6.3856 6.3856 6.5128 6.5128 6.9730 6.9730 7.5131 7.5131 10.9609 10.9609 12.4043 12.4043 14.6552 14.6552 14.9943 14.9943 k = 0.3158 0.5000-0.0000 ( 2364 PWs) bands (ev): -25.7711 -25.7711 -8.6859 -8.6859 -7.6528 -7.6528 -7.4768 -7.4768 -5.0019 -5.0019 0.2848 0.2848 0.9541 0.9541 3.1153 3.1153 3.4927 3.4927 4.8917 4.8917 6.3660 6.3660 6.6318 6.6318 6.8868 6.8868 7.5225 7.5225 11.0848 11.0848 12.4002 12.4002 14.6395 14.6395 14.9024 14.9024 k = 0.3289 0.5000-0.0000 ( 2360 PWs) bands (ev): -25.7708 -25.7708 -8.6866 -8.6866 -7.6532 -7.6532 -7.4776 -7.4776 -5.0029 -5.0029 0.3193 0.3193 0.9047 0.9047 3.1457 3.1457 3.4878 3.4878 4.8146 4.8146 6.3473 6.3473 6.7470 6.7470 6.8041 6.8041 7.5315 7.5315 11.2091 11.2091 12.3968 12.3968 14.6157 14.6157 14.8123 14.8123 k = 0.3421 0.5000-0.0000 ( 2368 PWs) bands (ev): -25.7705 -25.7705 -8.6873 -8.6873 -7.6537 -7.6537 -7.4781 -7.4781 -5.0039 -5.0039 0.3530 0.3530 0.8587 0.8587 3.1757 3.1757 3.4831 3.4831 4.7412 4.7412 6.3295 6.3295 6.7253 6.7253 6.8580 6.8580 7.5402 7.5402 11.3332 11.3332 12.3939 12.3939 14.5866 14.5866 14.7250 14.7250 k = 0.3553 0.5000-0.0000 ( 2372 PWs) bands (ev): -25.7703 -25.7703 -8.6879 -8.6879 -7.6543 -7.6543 -7.4785 -7.4785 -5.0048 -5.0048 0.3855 0.3855 0.8164 0.8164 3.2050 3.2050 3.4785 3.4785 4.6719 4.6719 6.3128 6.3128 6.6508 6.6508 6.9639 6.9639 7.5485 7.5485 11.4566 11.4566 12.3915 12.3915 14.5540 14.5540 14.6411 14.6411 k = 0.3684 0.5000-0.0000 ( 2372 PWs) bands (ev): -25.7700 -25.7700 -8.6886 -8.6886 -7.6548 -7.6548 -7.4787 -7.4787 -5.0057 -5.0057 0.4164 0.4164 0.7776 0.7776 3.2333 3.2333 3.4741 3.4741 4.6071 4.6071 6.2972 6.2972 6.5809 6.5809 7.0641 7.0641 7.5562 7.5562 11.5787 11.5787 12.3897 12.3897 14.5188 14.5188 14.5614 14.5614 k = 0.3816 0.5000-0.0000 ( 2372 PWs) bands (ev): -25.7698 -25.7698 -8.6893 -8.6893 -7.6554 -7.6554 -7.4788 -7.4788 -5.0066 -5.0066 0.4456 0.4456 0.7426 0.7426 3.2604 3.2604 3.4699 3.4699 4.5472 4.5472 6.2828 6.2828 6.5161 6.5161 7.1578 7.1578 7.5634 7.5634 11.6984 11.6984 12.3883 12.3883 14.4798 14.4798 14.4883 14.4883 k = 0.3947 0.5000-0.0000 ( 2380 PWs) bands (ev): -25.7696 -25.7696 -8.6899 -8.6899 -7.6560 -7.6560 -7.4788 -7.4788 -5.0074 -5.0074 0.4726 0.4726 0.7113 0.7113 3.2858 3.2858 3.4661 3.4661 4.4924 4.4924 6.2698 6.2698 6.4566 6.4566 7.2443 7.2443 7.5701 7.5701 11.8146 11.8146 12.3874 12.3874 14.4153 14.4153 14.4446 14.4446 k = 0.4079 0.5000-0.0000 ( 2376 PWs) bands (ev): -25.7694 -25.7694 -8.6905 -8.6905 -7.6566 -7.6566 -7.4787 -7.4787 -5.0081 -5.0081 0.4970 0.4970 0.6839 0.6839 3.3093 3.3093 3.4626 3.4626 4.4431 4.4431 6.2581 6.2581 6.4030 6.4030 7.3230 7.3230 7.5760 7.5760 11.9261 11.9261 12.3868 12.3868 14.3517 14.3517 14.4049 14.4049 k = 0.4211 0.5000-0.0000 ( 2372 PWs) bands (ev): -25.7693 -25.7693 -8.6910 -8.6910 -7.6572 -7.6572 -7.4785 -7.4785 -5.0087 -5.0087 0.5183 0.5183 0.6607 0.6607 3.3306 3.3306 3.4595 3.4595 4.3996 4.3996 6.2479 6.2479 6.3555 6.3555 7.3929 7.3929 7.5813 7.5813 12.0310 12.0310 12.3866 12.3866 14.2946 14.2946 14.3646 14.3646 k = 0.4342 0.5000-0.0000 ( 2368 PWs) bands (ev): -25.7691 -25.7691 -8.6914 -8.6914 -7.6576 -7.6576 -7.4784 -7.4784 -5.0093 -5.0093 0.5361 0.5361 0.6417 0.6417 3.3493 3.3493 3.4569 3.4569 4.3623 4.3623 6.2392 6.2392 6.3147 6.3147 7.4535 7.4535 7.5858 7.5858 12.1271 12.1271 12.3869 12.3869 14.2449 14.2449 14.3243 14.3243 k = 0.4474 0.5000-0.0000 ( 2372 PWs) bands (ev): -25.7690 -25.7690 -8.6918 -8.6918 -7.6581 -7.6581 -7.4782 -7.4782 -5.0097 -5.0097 0.5497 0.5497 0.6276 0.6276 3.3651 3.3651 3.4546 3.4546 4.3313 4.3313 6.2319 6.2319 6.2807 6.2807 7.5041 7.5041 7.5896 7.5896 12.2115 12.2115 12.3877 12.3877 14.2032 14.2032 14.2855 14.2855 k = 0.4605 0.5000-0.0000 ( 2376 PWs) bands (ev): -25.7689 -25.7689 -8.6921 -8.6921 -7.6584 -7.6584 -7.4781 -7.4781 -5.0101 -5.0101 0.5583 0.5583 0.6188 0.6188 3.3776 3.3776 3.4529 3.4529 4.3069 4.3069 6.2263 6.2263 6.2539 6.2539 7.5441 7.5441 7.5925 7.5925 12.2808 12.2808 12.3898 12.3898 14.1701 14.1701 14.2506 14.2506 k = 0.4737 0.5000-0.0000 ( 2370 PWs) bands (ev): -25.7688 -25.7688 -8.6923 -8.6923 -7.6587 -7.6587 -7.4779 -7.4779 -5.0103 -5.0103 0.5623 0.5623 0.6148 0.6148 3.3868 3.3868 3.4516 3.4516 4.2894 4.2894 6.2222 6.2222 6.2346 6.2346 7.5730 7.5730 7.5946 7.5946 12.3301 12.3301 12.3945 12.3945 14.1461 14.1461 14.2224 14.2224 k = 0.4868 0.5000-0.0000 ( 2360 PWs) bands (ev): -25.7688 -25.7688 -8.6925 -8.6925 -7.6588 -7.6588 -7.4779 -7.4779 -5.0105 -5.0105 0.5632 0.5632 0.6139 0.6139 3.3924 3.3924 3.4509 3.4509 4.2788 4.2788 6.2197 6.2197 6.2230 6.2230 7.5904 7.5904 7.5960 7.5960 12.3553 12.3553 12.4032 12.4032 14.1316 14.1316 14.2040 14.2040 k = 0.5000 0.5000-0.0000 ( 2360 PWs) bands (ev): -25.7688 -25.7688 -8.6925 -8.6925 -7.6589 -7.6589 -7.4778 -7.4778 -5.0105 -5.0105 0.5633 0.5633 0.6139 0.6139 3.3943 3.3943 3.4506 3.4506 4.2753 4.2753 6.2185 6.2185 6.2194 6.2194 7.5958 7.5958 7.5969 7.5969 12.3617 12.3617 12.4084 12.4084 14.1267 14.1267 14.1975 14.1975 k = 0.5000 0.5000-0.0000 ( 2360 PWs) bands (ev): -25.7688 -25.7688 -8.6925 -8.6925 -7.6589 -7.6589 -7.4778 -7.4778 -5.0105 -5.0105 0.5633 0.5633 0.6139 0.6139 3.3943 3.3943 3.4506 3.4506 4.2753 4.2753 6.2185 6.2185 6.2194 6.2194 7.5958 7.5958 7.5969 7.5969 12.3617 12.3617 12.4084 12.4084 14.1267 14.1267 14.1975 14.1975 k = 0.4907 0.4907-0.0000 ( 2360 PWs) bands (ev): -25.7688 -25.7688 -8.6925 -8.6925 -7.6588 -7.6588 -7.4779 -7.4779 -5.0105 -5.0105 0.5633 0.5633 0.6139 0.6139 3.3924 3.3924 3.4509 3.4509 4.2788 4.2788 6.2200 6.2200 6.2226 6.2226 7.5923 7.5923 7.5942 7.5942 12.3560 12.3560 12.4026 12.4026 14.1314 14.1314 14.2041 14.2041 k = 0.4815 0.4815-0.0000 ( 2370 PWs) bands (ev): -25.7688 -25.7688 -8.6923 -8.6923 -7.6586 -7.6586 -7.4779 -7.4779 -5.0103 -5.0103 0.5632 0.5632 0.6139 0.6139 3.3869 3.3869 3.4516 3.4516 4.2893 4.2893 6.2236 6.2236 6.2330 6.2330 7.5808 7.5808 7.5870 7.5870 12.3388 12.3388 12.3861 12.3861 14.1437 14.1437 14.2248 14.2248 k = 0.4722 0.4722-0.0000 ( 2376 PWs) bands (ev): -25.7689 -25.7689 -8.6921 -8.6921 -7.6584 -7.6584 -7.4781 -7.4781 -5.0101 -5.0101 0.5626 0.5626 0.6145 0.6145 3.3778 3.3778 3.4528 3.4528 4.3067 4.3067 6.2294 6.2294 6.2504 6.2504 7.5615 7.5615 7.5753 7.5753 12.3096 12.3096 12.3612 12.3612 14.1605 14.1605 14.2611 14.2611 k = 0.4630 0.4630-0.0000 ( 2378 PWs) bands (ev): -25.7690 -25.7690 -8.6918 -8.6918 -7.6580 -7.6580 -7.4782 -7.4782 -5.0098 -5.0098 0.5610 0.5610 0.6163 0.6163 3.3653 3.3653 3.4545 3.4545 4.3309 4.3309 6.2375 6.2375 6.2744 6.2744 7.5348 7.5348 7.5590 7.5590 12.2688 12.2688 12.3300 12.3300 14.1795 14.1795 14.3123 14.3123 k = 0.4537 0.4537-0.0000 ( 2370 PWs) bands (ev): -25.7691 -25.7691 -8.6914 -8.6914 -7.6576 -7.6576 -7.4784 -7.4784 -5.0095 -5.0095 0.5579 0.5579 0.6200 0.6200 3.3496 3.3496 3.4566 3.4566 4.3617 4.3617 6.2479 6.2479 6.3048 6.3048 7.5008 7.5008 7.5380 7.5380 12.2184 12.2184 12.2939 12.2939 14.2004 14.2004 14.3760 14.3760 k = 0.4444 0.4444-0.0000 ( 2376 PWs) bands (ev): -25.7693 -25.7693 -8.6909 -8.6909 -7.6570 -7.6570 -7.4787 -7.4787 -5.0092 -5.0092 0.5532 0.5532 0.6258 0.6258 3.3311 3.3311 3.4591 3.4591 4.3989 4.3989 6.2607 6.2607 6.3413 6.3413 7.4600 7.4600 7.5125 7.5125 12.1608 12.1608 12.2533 12.2533 14.2228 14.2228 14.4492 14.4492 k = 0.4352 0.4352-0.0000 ( 2372 PWs) bands (ev): -25.7694 -25.7694 -8.6903 -8.6903 -7.6562 -7.6562 -7.4790 -7.4790 -5.0090 -5.0090 0.5470 0.5470 0.6340 0.6340 3.3099 3.3099 3.4619 3.4619 4.4424 4.4424 6.2757 6.2757 6.3835 6.3835 7.4125 7.4125 7.4823 7.4823 12.0984 12.0984 12.2090 12.2090 14.2460 14.2460 14.5292 14.5292 k = 0.4259 0.4259-0.0000 ( 2360 PWs) bands (ev): -25.7696 -25.7696 -8.6896 -8.6896 -7.6554 -7.6554 -7.4793 -7.4793 -5.0089 -5.0089 0.5398 0.5398 0.6442 0.6442 3.2864 3.2864 3.4650 3.4650 4.4918 4.4918 6.2930 6.2930 6.4311 6.4311 7.3589 7.3589 7.4476 7.4476 12.0331 12.0331 12.1615 12.1615 14.2691 14.2691 14.6138 14.6138 k = 0.4167 0.4167-0.0000 ( 2360 PWs) bands (ev): -25.7698 -25.7698 -8.6888 -8.6888 -7.6544 -7.6544 -7.4796 -7.4796 -5.0091 -5.0091 0.5320 0.5320 0.6565 0.6565 3.2609 3.2609 3.4682 3.4682 4.5468 4.5468 6.3126 6.3126 6.4835 6.4835 7.2995 7.2995 7.4085 7.4085 11.9663 11.9663 12.1118 12.1118 14.2911 14.2911 14.7013 14.7013 k = 0.4074 0.4074-0.0000 ( 2352 PWs) bands (ev): -25.7700 -25.7700 -8.6879 -8.6879 -7.6533 -7.6533 -7.4799 -7.4799 -5.0095 -5.0095 0.5240 0.5240 0.6707 0.6707 3.2337 3.2337 3.4716 3.4716 4.6072 4.6072 6.3344 6.3344 6.5404 6.5404 7.2347 7.2347 7.3649 7.3649 11.8994 11.8994 12.0605 12.0605 14.3107 14.3107 14.7901 14.7901 k = 0.3981 0.3981-0.0000 ( 2352 PWs) bands (ev): -25.7703 -25.7703 -8.6869 -8.6869 -7.6520 -7.6520 -7.4802 -7.4802 -5.0103 -5.0103 0.5162 0.5162 0.6866 0.6866 3.2052 3.2052 3.4749 3.4749 4.6726 4.6726 6.3585 6.3585 6.6012 6.6012 7.1650 7.1650 7.3169 7.3169 11.8333 11.8333 12.0084 12.0084 14.3268 14.3268 14.8790 14.8790 k = 0.3889 0.3889-0.0000 ( 2352 PWs) bands (ev): -25.7706 -25.7706 -8.6858 -8.6858 -7.6505 -7.6505 -7.4805 -7.4805 -5.0115 -5.0115 0.5089 0.5089 0.7043 0.7043 3.1756 3.1756 3.4783 3.4783 4.7428 4.7428 6.3849 6.3849 6.6657 6.6657 7.0908 7.0908 7.2647 7.2647 11.7688 11.7688 11.9562 11.9562 14.3382 14.3382 14.9670 14.9670 k = 0.3796 0.3796-0.0000 ( 2356 PWs) bands (ev): -25.7709 -25.7709 -8.6846 -8.6846 -7.6488 -7.6488 -7.4808 -7.4808 -5.0132 -5.0132 0.5026 0.5026 0.7237 0.7237 3.1453 3.1453 3.4815 3.4815 4.8175 4.8175 6.4134 6.4134 6.7333 6.7333 7.0126 7.0126 7.2083 7.2083 11.7066 11.7066 11.9044 11.9044 14.3441 14.3441 15.0531 15.0531 k = 0.3704 0.3704-0.0000 ( 2368 PWs) bands (ev): -25.7712 -25.7712 -8.6833 -8.6833 -7.6470 -7.6470 -7.4811 -7.4811 -5.0156 -5.0156 0.4974 0.4974 0.7447 0.7447 3.1144 3.1144 3.4844 3.4844 4.8962 4.8962 6.4442 6.4442 6.8036 6.8036 6.9307 6.9307 7.1478 7.1478 11.6470 11.6470 11.8536 11.8536 14.3438 14.3438 15.1307 15.1307 k = 0.3611 0.3611-0.0000 ( 2368 PWs) bands (ev): -25.7715 -25.7715 -8.6818 -8.6818 -7.6449 -7.6449 -7.4814 -7.4814 -5.0186 -5.0186 0.4937 0.4937 0.7675 0.7675 3.0832 3.0832 3.4871 3.4871 4.9788 4.9788 6.4771 6.4771 6.8455 6.8455 6.8762 6.8762 7.0835 7.0835 11.5907 11.5907 11.8042 11.8042 14.3369 14.3369 15.0472 15.0472 k = 0.3519 0.3519-0.0000 ( 2368 PWs) bands (ev): -25.7719 -25.7719 -8.6803 -8.6803 -7.6426 -7.6426 -7.4816 -7.4816 -5.0223 -5.0223 0.4918 0.4918 0.7918 0.7918 3.0519 3.0519 3.4893 3.4893 5.0648 5.0648 6.5122 6.5122 6.7576 6.7576 6.9506 6.9506 7.0153 7.0153 11.5378 11.5378 11.7566 11.7566 14.3235 14.3235 14.9510 14.9510 k = 0.3426 0.3426-0.0000 ( 2366 PWs) bands (ev): -25.7722 -25.7722 -8.6786 -8.6786 -7.6401 -7.6401 -7.4818 -7.4818 -5.0269 -5.0269 0.4919 0.4919 0.8178 0.8178 3.0207 3.0207 3.4910 3.4910 5.1540 5.1540 6.5495 6.5495 6.6674 6.6674 6.9434 6.9434 7.0265 7.0265 11.4886 11.4886 11.7113 11.7113 14.3039 14.3039 14.8575 14.8575 k = 0.3333 0.3333-0.0000 ( 2378 PWs) bands (ev): -25.7726 -25.7726 -8.6768 -8.6768 -7.6374 -7.6374 -7.4819 -7.4819 -5.0324 -5.0324 0.4942 0.4942 0.8455 0.8455 2.9898 2.9898 3.4922 3.4922 5.2460 5.2460 6.5752 6.5752 6.5888 6.5888 6.8681 6.8681 7.1034 7.1034 11.4434 11.4434 11.6683 11.6683 14.2788 14.2788 14.7675 14.7675 k = 0.3241 0.3241-0.0000 ( 2364 PWs) bands (ev): -25.7730 -25.7730 -8.6749 -8.6749 -7.6344 -7.6344 -7.4819 -7.4819 -5.0387 -5.0387 0.4990 0.4990 0.8747 0.8747 2.9593 2.9593 3.4926 3.4926 5.3403 5.3403 6.4815 6.4815 6.6302 6.6302 6.7895 6.7895 7.1809 7.1809 11.4023 11.4023 11.6281 11.6281 14.2490 14.2490 14.6814 14.6814 k = 0.3148 0.3148-0.0000 ( 2362 PWs) bands (ev): -25.7734 -25.7734 -8.6729 -8.6729 -7.6312 -7.6312 -7.4820 -7.4820 -5.0460 -5.0460 0.5064 0.5064 0.9056 0.9056 2.9293 2.9293 3.4922 3.4922 5.4365 5.4365 6.3870 6.3870 6.6737 6.6737 6.7078 6.7078 7.2586 7.2586 11.3653 11.3653 11.5908 11.5908 14.2155 14.2155 14.5998 14.5998 k = 0.3056 0.3056-0.0000 ( 2358 PWs) bands (ev): -25.7738 -25.7738 -8.6708 -8.6708 -7.6277 -7.6277 -7.4819 -7.4819 -5.0544 -5.0544 0.5165 0.5165 0.9381 0.9381 2.9000 2.9000 3.4910 3.4910 5.5336 5.5336 6.2926 6.2926 6.6232 6.6232 6.7191 6.7191 7.3361 7.3361 11.3325 11.3325 11.5565 11.5565 14.1793 14.1793 14.5232 14.5232 k = 0.2963 0.2963-0.0000 ( 2362 PWs) bands (ev): -25.7742 -25.7742 -8.6685 -8.6685 -7.6240 -7.6240 -7.4818 -7.4818 -5.0637 -5.0637 0.5295 0.5295 0.9722 0.9722 2.8715 2.8715 3.4889 3.4889 5.6298 5.6298 6.2001 6.2001 6.5358 6.5358 6.7665 6.7665 7.4131 7.4131 11.3039 11.3039 11.5253 11.5253 14.1416 14.1416 14.4520 14.4520 k = 0.2870 0.2870-0.0000 ( 2358 PWs) bands (ev): -25.7747 -25.7747 -8.6662 -8.6662 -7.6200 -7.6200 -7.4816 -7.4816 -5.0742 -5.0742 0.5455 0.5455 1.0080 1.0080 2.8438 2.8438 3.4857 3.4857 5.7203 5.7203 6.1143 6.1143 6.4460 6.4460 6.8158 6.8158 7.4890 7.4890 11.2795 11.2795 11.4975 11.4975 14.1034 14.1034 14.3867 14.3867 k = 0.2778 0.2778-0.0000 ( 2358 PWs) bands (ev): -25.7751 -25.7751 -8.6637 -8.6637 -7.6157 -7.6157 -7.4814 -7.4814 -5.0856 -5.0856 0.5646 0.5646 1.0453 1.0453 2.8170 2.8170 3.4814 3.4814 5.7881 5.7881 6.0524 6.0524 6.3538 6.3538 6.8669 6.8669 7.5636 7.5636 11.2591 11.2591 11.4729 11.4729 14.0658 14.0658 14.3276 14.3276 k = 0.2685 0.2685-0.0000 ( 2358 PWs) bands (ev): -25.7755 -25.7755 -8.6612 -8.6612 -7.6112 -7.6112 -7.4811 -7.4811 -5.0981 -5.0981 0.5868 0.5868 1.0842 1.0842 2.7912 2.7912 3.4760 3.4760 5.7896 5.7896 6.0578 6.0578 6.2597 6.2597 6.9199 6.9199 7.6364 7.6364 11.2427 11.2427 11.4517 11.4517 14.0297 14.0297 14.2752 14.2752 k = 0.2593 0.2593-0.0000 ( 2352 PWs) bands (ev): -25.7760 -25.7760 -8.6586 -8.6586 -7.6064 -7.6064 -7.4807 -7.4807 -5.1115 -5.1115 0.6123 0.6123 1.1247 1.1247 2.7663 2.7663 3.4693 3.4693 5.7253 5.7253 6.1300 6.1300 6.1636 6.1636 6.9746 6.9746 7.7071 7.7071 11.2300 11.2300 11.4340 11.4340 13.9961 13.9961 14.2298 14.2298 k = 0.2500 0.2500-0.0000 ( 2352 PWs) bands (ev): -25.7764 -25.7764 -8.6558 -8.6558 -7.6013 -7.6013 -7.4803 -7.4803 -5.1259 -5.1259 0.6410 0.6410 1.1668 1.1668 2.7425 2.7425 3.4614 3.4614 5.6376 5.6376 6.0660 6.0660 6.2267 6.2267 7.0309 7.0309 7.7753 7.7753 11.2209 11.2209 11.4196 11.4196 13.9659 13.9659 14.1918 14.1918 k = 0.2407 0.2407-0.0000 ( 2350 PWs) bands (ev): -25.7769 -25.7769 -8.6531 -8.6531 -7.5960 -7.5960 -7.4798 -7.4798 -5.1413 -5.1413 0.6728 0.6728 1.2104 1.2104 2.7198 2.7198 3.4522 3.4522 5.5426 5.5426 5.9669 5.9669 6.3318 6.3318 7.0888 7.0888 7.8408 7.8408 11.2152 11.2152 11.4086 11.4086 13.9399 13.9399 14.1614 14.1614 k = 0.2315 0.2315-0.0000 ( 2350 PWs) bands (ev): -25.7773 -25.7773 -8.6502 -8.6502 -7.5905 -7.5905 -7.4792 -7.4792 -5.1574 -5.1574 0.7079 0.7079 1.2555 1.2555 2.6982 2.6982 3.4416 3.4416 5.4449 5.4449 5.8667 5.8667 6.4406 6.4406 7.1482 7.1482 7.9032 7.9032 11.2126 11.2126 11.4010 11.4010 13.9187 13.9187 14.1353 14.1353 k = 0.2222 0.2222-0.0000 ( 2360 PWs) bands (ev): -25.7778 -25.7778 -8.6473 -8.6473 -7.5847 -7.5847 -7.4787 -7.4787 -5.1744 -5.1744 0.7462 0.7462 1.3021 1.3021 2.6776 2.6776 3.4295 3.4295 5.3462 5.3462 5.7656 5.7656 6.5513 6.5513 7.2090 7.2090 7.9623 7.9623 11.2130 11.2130 11.3967 11.3967 13.9030 13.9030 14.0130 14.0130 k = 0.2130 0.2130-0.0000 ( 2362 PWs) bands (ev): -25.7782 -25.7782 -8.6443 -8.6443 -7.5788 -7.5788 -7.4780 -7.4780 -5.1920 -5.1920 0.7876 0.7876 1.3502 1.3502 2.6581 2.6581 3.4160 3.4160 5.2474 5.2474 5.6637 5.6637 6.6631 6.6631 7.2711 7.2711 8.0179 8.0179 11.2160 11.2160 11.3957 11.3957 13.8844 13.8844 13.8957 13.8957 k = 0.2037 0.2037-0.0000 ( 2362 PWs) bands (ev): -25.7786 -25.7786 -8.6414 -8.6414 -7.5726 -7.5726 -7.4773 -7.4773 -5.2102 -5.2102 0.8322 0.8322 1.3998 1.3998 2.6398 2.6398 3.4010 3.4010 5.1489 5.1489 5.5614 5.5614 6.7754 6.7754 7.3344 7.3344 8.0697 8.0697 11.2215 11.2215 11.3979 11.3979 13.7599 13.7599 13.8907 13.8907 k = 0.1944 0.1944-0.0000 ( 2364 PWs) bands (ev): -25.7791 -25.7791 -8.6384 -8.6384 -7.5663 -7.5663 -7.4766 -7.4766 -5.2289 -5.2289 0.8797 0.8797 1.4507 1.4507 2.6225 2.6225 3.3844 3.3844 5.0513 5.0513 5.4587 5.4587 6.8878 6.8878 7.3986 7.3986 8.1177 8.1177 11.2293 11.2293 11.4033 11.4033 13.6337 13.6337 13.8943 13.8943 k = 0.1852 0.1852-0.0000 ( 2360 PWs) bands (ev): -25.7795 -25.7795 -8.6354 -8.6354 -7.5598 -7.5598 -7.4758 -7.4758 -5.2479 -5.2479 0.9302 0.9302 1.5030 1.5030 2.6062 2.6062 3.3661 3.3661 4.9548 4.9548 5.3560 5.3560 6.9998 6.9998 7.4637 7.4637 8.1618 8.1618 11.2393 11.2393 11.4118 11.4118 13.5081 13.5081 13.9048 13.9048 k = 0.1759 0.1759-0.0000 ( 2366 PWs) bands (ev): -25.7799 -25.7799 -8.6324 -8.6324 -7.5533 -7.5533 -7.4751 -7.4751 -5.2672 -5.2672 0.9835 0.9835 1.5566 1.5566 2.5911 2.5911 3.3460 3.3460 4.8597 4.8597 5.2535 5.2535 7.1112 7.1112 7.5295 7.5295 8.2020 8.2020 11.2514 11.2514 11.4232 11.4232 13.3836 13.3836 13.9221 13.9221 k = 0.1667 0.1667-0.0000 ( 2366 PWs) bands (ev): -25.7803 -25.7803 -8.6295 -8.6295 -7.5466 -7.5466 -7.4743 -7.4743 -5.2866 -5.2866 1.0396 1.0396 1.6114 1.6114 2.5769 2.5769 3.3239 3.3239 4.7665 4.7665 5.1514 5.1514 7.2214 7.2214 7.5958 7.5958 8.2383 8.2383 11.2656 11.2656 11.4376 11.4376 13.2606 13.2606 13.9456 13.9456 k = 0.1574 0.1574-0.0000 ( 2370 PWs) bands (ev): -25.7807 -25.7807 -8.6266 -8.6266 -7.5399 -7.5399 -7.4735 -7.4735 -5.3060 -5.3060 1.0983 1.0983 1.6673 1.6673 2.5638 2.5638 3.2997 3.2997 4.6754 4.6754 5.0499 5.0499 7.3301 7.3301 7.6624 7.6624 8.2708 8.2708 11.2819 11.2819 11.4547 11.4547 13.1395 13.1395 13.9745 13.9745 k = 0.1481 0.1481-0.0000 ( 2373 PWs) bands (ev): -25.7810 -25.7810 -8.6237 -8.6237 -7.5332 -7.5332 -7.4727 -7.4727 -5.3254 -5.3254 1.1596 1.1596 1.7242 1.7242 2.5516 2.5516 3.2732 3.2732 4.5870 4.5870 4.9494 4.9494 7.4369 7.4369 7.7289 7.7289 8.2996 8.2996 11.3005 11.3005 11.4745 11.4745 13.0207 13.0207 14.0069 14.0069 k = 0.1389 0.1389-0.0000 ( 2383 PWs) bands (ev): -25.7814 -25.7814 -8.6209 -8.6209 -7.5265 -7.5265 -7.4718 -7.4718 -5.3444 -5.3444 1.2232 1.2232 1.7819 1.7819 2.5404 2.5404 3.2442 3.2442 4.5015 4.5015 4.8499 4.8499 7.5412 7.5412 7.7952 7.7952 8.3249 8.3249 11.3216 11.3216 11.4968 11.4968 12.9046 12.9046 14.0327 14.0327 k = 0.1296 0.1296-0.0000 ( 2383 PWs) bands (ev): -25.7817 -25.7817 -8.6183 -8.6183 -7.5199 -7.5199 -7.4710 -7.4710 -5.3630 -5.3630 1.2892 1.2892 1.8404 1.8404 2.5301 2.5301 3.2123 3.2123 4.4197 4.4197 4.7519 4.7519 7.6427 7.6427 7.8609 7.8609 8.3469 8.3469 11.3454 11.3454 11.5215 11.5215 12.7918 12.7918 13.9440 13.9440 k = 0.1204 0.1204-0.0000 ( 2383 PWs) bands (ev): -25.7820 -25.7820 -8.6157 -8.6157 -7.5135 -7.5135 -7.4703 -7.4703 -5.3811 -5.3811 1.3573 1.3573 1.8994 1.8994 2.5207 2.5207 3.1773 3.1773 4.3418 4.3418 4.6557 4.6557 7.7407 7.7407 7.9256 7.9256 8.3658 8.3658 11.3721 11.3721 11.5482 11.5482 12.6827 12.6827 13.8457 13.8457 k = 0.1111 0.1111-0.0000 ( 2385 PWs) bands (ev): -25.7823 -25.7823 -8.6133 -8.6133 -7.5072 -7.5072 -7.4695 -7.4695 -5.3986 -5.3986 1.4273 1.4273 1.9586 1.9586 2.5122 2.5122 3.1388 3.1388 4.2685 4.2685 4.5615 4.5615 7.8346 7.8346 7.9890 7.9890 8.3819 8.3819 11.4021 11.4021 11.5768 11.5768 12.5778 12.5778 13.7503 13.7503 k = 0.1019 0.1019-0.0000 ( 2387 PWs) bands (ev): -25.7826 -25.7826 -8.6110 -8.6110 -7.5012 -7.5012 -7.4688 -7.4688 -5.4152 -5.4152 1.4992 1.4992 2.0178 2.0178 2.5045 2.5045 3.0965 3.0965 4.2002 4.2002 4.4698 4.4698 7.9240 7.9240 8.0506 8.0506 8.3955 8.3955 11.4357 11.4357 11.6071 11.6071 12.4777 12.4777 13.6585 13.6585 k = 0.0926 0.0926-0.0000 ( 2383 PWs) bands (ev): -25.7829 -25.7829 -8.6088 -8.6088 -7.4954 -7.4954 -7.4681 -7.4681 -5.4309 -5.4309 1.5727 1.5727 2.0766 2.0766 2.4976 2.4976 3.0503 3.0503 4.1375 4.1375 4.3812 4.3812 8.0081 8.0081 8.1098 8.1098 8.4068 8.4068 11.4729 11.4729 11.6385 11.6385 12.3829 12.3829 13.5706 13.5706 k = 0.0833 0.0833-0.0000 ( 2383 PWs) bands (ev): -25.7831 -25.7831 -8.6068 -8.6068 -7.4900 -7.4900 -7.4675 -7.4675 -5.4455 -5.4455 1.6477 1.6477 2.1344 2.1344 2.4915 2.4915 2.9999 2.9999 4.0807 4.0807 4.2960 4.2960 8.0864 8.0864 8.1663 8.1663 8.4161 8.4161 11.5138 11.5138 11.6708 11.6708 12.2942 12.2942 13.4872 13.4872 k = 0.0741 0.0741-0.0000 ( 2379 PWs) bands (ev): -25.7833 -25.7833 -8.6050 -8.6050 -7.4850 -7.4850 -7.4669 -7.4669 -5.4589 -5.4589 1.7239 1.7239 2.1907 2.1907 2.4861 2.4861 2.9455 2.9455 4.0300 4.0300 4.2150 4.2150 8.1583 8.1583 8.2193 8.2193 8.4237 8.4237 11.5584 11.5584 11.7034 11.7034 12.2121 12.2121 13.4088 13.4088 k = 0.0648 0.0648-0.0000 ( 2383 PWs) bands (ev): -25.7835 -25.7835 -8.6034 -8.6034 -7.4804 -7.4804 -7.4663 -7.4663 -5.4711 -5.4711 1.8011 1.8011 2.2447 2.2447 2.4815 2.4815 2.8870 2.8870 3.9857 3.9857 4.1390 4.1390 8.2232 8.2232 8.2682 8.2682 8.4297 8.4297 11.6062 11.6062 11.7356 11.7356 12.1373 12.1373 13.3361 13.3361 k = 0.0556 0.0556-0.0000 ( 2379 PWs) bands (ev): -25.7837 -25.7837 -8.6019 -8.6019 -7.4763 -7.4763 -7.4659 -7.4659 -5.4818 -5.4818 1.8791 1.8791 2.2955 2.2955 2.4776 2.4776 2.8248 2.8248 3.9477 3.9477 4.0690 4.0690 8.2806 8.2806 8.3124 8.3124 8.4345 8.4345 11.6563 11.6563 11.7668 11.7668 12.0706 12.0706 13.2697 13.2697 k = 0.0463 0.0463-0.0000 ( 2375 PWs) bands (ev): -25.7838 -25.7838 -8.6007 -8.6007 -7.4728 -7.4728 -7.4654 -7.4654 -5.4911 -5.4911 1.9573 1.9573 2.3419 2.3419 2.4744 2.4744 2.7595 2.7595 3.9160 3.9160 4.0060 4.0060 8.3299 8.3299 8.3513 8.3513 8.4381 8.4381 11.7075 11.7075 11.7960 11.7960 12.0126 12.0126 13.2108 13.2108 k = 0.0370 0.0370-0.0000 ( 2367 PWs) bands (ev): -25.7839 -25.7839 -8.5997 -8.5997 -7.4699 -7.4699 -7.4651 -7.4651 -5.4988 -5.4988 2.0352 2.0352 2.3825 2.3825 2.4722 2.4722 2.6918 2.6918 3.8904 3.8904 3.9515 3.9515 8.3709 8.3709 8.3842 8.3842 8.4409 8.4409 11.7575 11.7575 11.8221 11.8221 11.9641 11.9641 13.1602 13.1602 k = 0.0278 0.0278-0.0000 ( 2359 PWs) bands (ev): -25.7840 -25.7840 -8.5989 -8.5989 -7.4675 -7.4675 -7.4648 -7.4648 -5.5048 -5.5048 2.1118 2.1118 2.4155 2.4155 2.4710 2.4710 2.6231 2.6231 3.8708 3.8708 3.9068 3.9068 8.4030 8.4030 8.4106 8.4106 8.4429 8.4429 11.8033 11.8033 11.8442 11.8442 11.9256 11.9256 13.1192 13.1192 k = 0.0185 0.0185-0.0000 ( 2361 PWs) bands (ev): -25.7841 -25.7841 -8.5983 -8.5983 -7.4658 -7.4658 -7.4646 -7.4646 -5.5092 -5.5092 2.1848 2.1848 2.4382 2.4382 2.4719 2.4719 2.5561 2.5561 3.8569 3.8569 3.8735 3.8735 8.4259 8.4259 8.4298 8.4298 8.4444 8.4444 11.8410 11.8410 11.8610 11.8610 11.8977 11.8977 13.0889 13.0889 k = 0.0093 0.0093-0.0000 ( 2373 PWs) bands (ev): -25.7841 -25.7841 -8.5980 -8.5980 -7.4648 -7.4648 -7.4645 -7.4645 -5.5118 -5.5118 2.2475 2.2475 2.4467 2.4467 2.4754 2.4754 2.4997 2.4997 3.8487 3.8487 3.8529 3.8529 8.4394 8.4394 8.4413 8.4413 8.4459 8.4459 11.8661 11.8661 11.8715 11.8715 11.8808 11.8808 13.0702 13.0702 k = 0.0000 0.0000 0.0000 ( 2373 PWs) bands (ev): -25.7842 -25.7842 -8.5979 -8.5979 -7.4645 -7.4645 -7.4645 -7.4645 -5.5127 -5.5127 2.2772 2.2772 2.4428 2.4428 2.4778 2.4778 2.4778 2.4778 3.8459 3.8459 3.8459 3.8459 8.4438 8.4438 8.4438 8.4438 8.4478 8.4478 11.8745 11.8745 11.8745 11.8745 11.8762 11.8762 13.0639 13.0639 k = 0.0000 0.0000 0.0000 ( 2373 PWs) bands (ev): -25.7842 -25.7842 -8.5979 -8.5979 -7.4645 -7.4645 -7.4645 -7.4645 -5.5127 -5.5127 2.2772 2.2772 2.4428 2.4428 2.4778 2.4778 2.4778 2.4778 3.8459 3.8459 3.8459 3.8459 8.4438 8.4438 8.4438 8.4438 8.4478 8.4478 11.8745 11.8745 11.8745 11.8745 11.8762 11.8762 13.0639 13.0639 k = 0.0077 0.0077 0.0077 ( 2373 PWs) bands (ev): -25.7841 -25.7841 -8.5980 -8.5980 -7.4648 -7.4648 -7.4646 -7.4646 -5.5118 -5.5118 2.2468 2.2468 2.4462 2.4462 2.4741 2.4741 2.5020 2.5020 3.8509 3.8509 3.8510 3.8510 8.4395 8.4395 8.4411 8.4411 8.4457 8.4457 11.8703 11.8703 11.8713 11.8713 11.8765 11.8765 13.0750 13.0751 k = 0.0154 0.0154 0.0154 ( 2364 PWs) bands (ev): -25.7841 -25.7841 -8.5983 -8.5983 -7.4657 -7.4657 -7.4649 -7.4649 -5.5091 -5.5091 2.1841 2.1841 2.4384 2.4384 2.4631 2.4631 2.5646 2.5646 3.8659 3.8659 3.8659 3.8659 8.4266 8.4266 8.4289 8.4289 8.4433 8.4433 11.8583 11.8583 11.8594 11.8594 11.8804 11.8804 13.1079 13.1080 k = 0.0231 0.0231 0.0231 ( 2364 PWs) bands (ev): -25.7840 -25.7840 -8.5989 -8.5989 -7.4672 -7.4672 -7.4653 -7.4653 -5.5045 -5.5045 2.1125 2.1125 2.4215 2.4215 2.4454 2.4454 2.6402 2.6402 3.8902 3.8902 3.8903 3.8903 8.4054 8.4054 8.4077 8.4077 8.4403 8.4403 11.8403 11.8403 11.8414 11.8414 11.8871 11.8871 13.1600 13.1600 k = 0.0308 0.0308 0.0308 ( 2358 PWs) bands (ev): -25.7839 -25.7839 -8.5997 -8.5997 -7.4692 -7.4692 -7.4660 -7.4660 -5.4983 -5.4983 2.0388 2.0388 2.3980 2.3980 2.4216 2.4216 2.7205 2.7205 3.9232 3.9232 3.9235 3.9235 8.3760 8.3760 8.3781 8.3781 8.4360 8.4360 11.8185 11.8185 11.8195 11.8195 11.8963 11.8963 13.2292 13.2292 k = 0.0385 0.0385 0.0385 ( 2364 PWs) bands (ev): -25.7838 -25.7838 -8.6008 -8.6008 -7.4718 -7.4718 -7.4668 -7.4668 -5.4904 -5.4904 1.9651 1.9651 2.3691 2.3691 2.3925 2.3925 2.8030 2.8030 3.9642 3.9642 3.9646 3.9646 8.3388 8.3388 8.3407 8.3407 8.4300 8.4300 11.7951 11.7951 11.7961 11.7961 11.9083 11.9083 13.3125 13.3125 k = 0.0462 0.0462 0.0462 ( 2376 PWs) bands (ev): -25.7837 -25.7837 -8.6021 -8.6021 -7.4748 -7.4748 -7.4678 -7.4678 -5.4808 -5.4808 1.8921 1.8921 2.3357 2.3357 2.3590 2.3590 2.8868 2.8868 4.0122 4.0122 4.0127 4.0127 8.2943 8.2943 8.2959 8.2959 8.4218 8.4218 11.7721 11.7721 11.7731 11.7731 11.9229 11.9229 13.4071 13.4071 k = 0.0538 0.0538 0.0538 ( 2379 PWs) bands (ev): -25.7835 -25.7835 -8.6035 -8.6035 -7.4783 -7.4783 -7.4690 -7.4690 -5.4698 -5.4698 1.8204 1.8204 2.2986 2.2986 2.3218 2.3218 2.9714 2.9714 4.0665 4.0665 4.0670 4.0670 8.2430 8.2430 8.2442 8.2442 8.4111 8.4111 11.7511 11.7511 11.7520 11.7520 11.9402 11.9402 13.5105 13.5105 k = 0.0615 0.0615 0.0615 ( 2379 PWs) bands (ev): -25.7833 -25.7833 -8.6052 -8.6052 -7.4823 -7.4823 -7.4704 -7.4704 -5.4573 -5.4573 1.7504 1.7504 2.2585 2.2585 2.2817 2.2817 3.0566 3.0566 4.1261 4.1261 4.1267 4.1267 8.1854 8.1854 8.1862 8.1862 8.3974 8.3974 11.7331 11.7331 11.7341 11.7341 11.9601 11.9601 13.6203 13.6203 k = 0.0692 0.0692 0.0692 ( 2382 PWs) bands (ev): -25.7831 -25.7831 -8.6070 -8.6070 -7.4866 -7.4866 -7.4719 -7.4719 -5.4435 -5.4435 1.6823 1.6823 2.2162 2.2162 2.2394 2.2394 3.1422 3.1422 4.1906 4.1906 4.1912 4.1912 8.1221 8.1221 8.1225 8.1225 8.3801 8.3801 11.7189 11.7189 11.7199 11.7199 11.9826 11.9826 13.7344 13.7344 k = 0.0769 0.0769 0.0769 ( 2394 PWs) bands (ev): -25.7828 -25.7828 -8.6091 -8.6091 -7.4912 -7.4912 -7.4736 -7.4736 -5.4286 -5.4286 1.6162 1.6162 2.1721 2.1721 2.1953 2.1953 3.2281 3.2281 4.2591 4.2591 4.2597 4.2597 8.0536 8.0536 8.0537 8.0537 8.3587 8.3587 11.7092 11.7092 11.7102 11.7102 12.0079 12.0079 13.8504 13.8504 k = 0.0846 0.0846 0.0846 ( 2391 PWs) bands (ev): -25.7825 -25.7825 -8.6112 -8.6112 -7.4960 -7.4960 -7.4755 -7.4755 -5.4126 -5.4126 1.5524 1.5524 2.1267 2.1267 2.1500 2.1500 3.3141 3.3141 4.3313 4.3313 4.3319 4.3319 7.9804 7.9804 7.9810 7.9810 8.3327 8.3327 11.7041 11.7041 11.7050 11.7050 12.0357 12.0357 13.9660 13.9660 k = 0.0923 0.0923 0.0923 ( 2385 PWs) bands (ev): -25.7822 -25.7822 -8.6136 -8.6136 -7.5010 -7.5010 -7.4775 -7.4775 -5.3956 -5.3956 1.4911 1.4911 2.0804 2.0804 2.1038 2.1038 3.4002 3.4002 4.4066 4.4066 4.4072 4.4072 7.9032 7.9032 7.9045 7.9045 8.3016 8.3016 11.7037 11.7037 11.7047 11.7047 12.0662 12.0662 14.0783 14.0783 k = 0.1000 0.1000 0.1000 ( 2379 PWs) bands (ev): -25.7819 -25.7819 -8.6160 -8.6160 -7.5062 -7.5062 -7.4796 -7.4796 -5.3779 -5.3779 1.4323 1.4323 2.0336 2.0336 2.0570 2.0570 3.4863 3.4863 4.4848 4.4848 4.4853 4.4853 7.8229 7.8229 7.8247 7.8247 8.2648 8.2648 11.7082 11.7082 11.7092 11.7092 12.0993 12.0993 14.1843 14.1843 k = 0.1077 0.1077 0.1077 ( 2379 PWs) bands (ev): -25.7816 -25.7816 -8.6186 -8.6186 -7.5115 -7.5115 -7.4819 -7.4819 -5.3596 -5.3596 1.3762 1.3762 1.9864 1.9864 2.0099 2.0099 3.5723 3.5723 4.5653 4.5653 4.5658 4.5658 7.7399 7.7399 7.7424 7.7424 8.2222 8.2222 11.7175 11.7175 11.7184 11.7184 12.1351 12.1351 14.1656 14.1656 k = 0.1154 0.1154 0.1154 ( 2376 PWs) bands (ev): -25.7812 -25.7812 -8.6212 -8.6212 -7.5168 -7.5168 -7.4843 -7.4843 -5.3407 -5.3407 1.3229 1.3229 1.9390 1.9390 1.9626 1.9626 3.6583 3.6583 4.6480 4.6480 4.6485 4.6485 7.6547 7.6547 7.6580 7.6580 8.1733 8.1733 11.7316 11.7316 11.7324 11.7324 12.1735 12.1735 14.1169 14.1169 k = 0.1231 0.1231 0.1231 ( 2376 PWs) bands (ev): -25.7808 -25.7808 -8.6240 -8.6240 -7.5221 -7.5221 -7.4868 -7.4868 -5.3215 -5.3215 1.2725 1.2725 1.8918 1.8918 1.9154 1.9154 3.7441 3.7441 4.7326 4.7326 4.7330 4.7330 7.5681 7.5681 7.5721 7.5721 8.1182 8.1182 11.7503 11.7503 11.7510 11.7510 12.2145 12.2145 14.0810 14.0810 k = 0.1308 0.1308 0.1308 ( 2370 PWs) bands (ev): -25.7804 -25.7804 -8.6268 -8.6268 -7.5274 -7.5274 -7.4895 -7.4895 -5.3021 -5.3021 1.2251 1.2251 1.8447 1.8447 1.8683 1.8683 3.8297 3.8297 4.8188 4.8188 4.8191 4.8191 7.4803 7.4803 7.4851 7.4851 8.0568 8.0568 11.7734 11.7734 11.7741 11.7741 12.2582 12.2582 14.0581 14.0581 k = 0.1385 0.1385 0.1385 ( 2370 PWs) bands (ev): -25.7800 -25.7800 -8.6296 -8.6296 -7.5325 -7.5325 -7.4922 -7.4922 -5.2825 -5.2825 1.1807 1.1807 1.7979 1.7979 1.8216 1.8216 3.9151 3.9151 4.9063 4.9063 4.9066 4.9066 7.3918 7.3918 7.3975 7.3975 7.9893 7.9893 11.8010 11.8010 11.8015 11.8015 12.3044 12.3044 14.0481 14.0481 k = 0.1462 0.1462 0.1462 ( 2364 PWs) bands (ev): -25.7796 -25.7796 -8.6325 -8.6325 -7.5376 -7.5376 -7.4950 -7.4950 -5.2630 -5.2630 1.1394 1.1394 1.7515 1.7515 1.7752 1.7752 4.0002 4.0002 4.9951 4.9951 4.9953 4.9953 7.3031 7.3031 7.3097 7.3097 7.9161 7.9161 11.8328 11.8328 11.8332 11.8332 12.3533 12.3533 14.0506 14.0506 k = 0.1538 0.1538 0.1538 ( 2358 PWs) bands (ev): -25.7791 -25.7791 -8.6354 -8.6354 -7.5425 -7.5425 -7.4979 -7.4979 -5.2436 -5.2436 1.1013 1.1013 1.7055 1.7055 1.7292 1.7292 4.0849 4.0849 5.0848 5.0848 5.0850 5.0850 7.2146 7.2146 7.2221 7.2221 7.8375 7.8375 11.8688 11.8688 11.8691 11.8691 12.4048 12.4048 14.0650 14.0650 k = 0.1615 0.1615 0.1615 ( 2364 PWs) bands (ev): -25.7787 -25.7787 -8.6384 -8.6384 -7.5472 -7.5472 -7.5009 -7.5009 -5.2244 -5.2244 1.0663 1.0663 1.6601 1.6601 1.6837 1.6837 4.1692 4.1692 5.1753 5.1753 5.1754 5.1754 7.1265 7.1265 7.1351 7.1351 7.7541 7.7541 11.9088 11.9088 11.9089 11.9089 12.4589 12.4589 14.0903 14.0903 k = 0.1692 0.1692 0.1692 ( 2364 PWs) bands (ev): -25.7782 -25.7782 -8.6413 -8.6413 -7.5517 -7.5517 -7.5040 -7.5040 -5.2055 -5.2055 1.0345 1.0345 1.6152 1.6152 1.6387 1.6387 4.2529 4.2529 5.2664 5.2664 5.2664 5.2664 7.0392 7.0392 7.0489 7.0489 7.6667 7.6667 11.9527 11.9527 11.9528 11.9528 12.5156 12.5156 14.1256 14.1256 k = 0.1769 0.1769 0.1769 ( 2364 PWs) bands (ev): -25.7777 -25.7777 -8.6442 -8.6442 -7.5560 -7.5560 -7.5071 -7.5071 -5.1870 -5.1870 1.0057 1.0057 1.5710 1.5710 1.5943 1.5943 4.3360 4.3360 5.3578 5.3578 5.3578 5.3578 6.9531 6.9531 6.9639 6.9639 7.5760 7.5760 12.0003 12.0003 12.0007 12.0007 12.5749 12.5749 14.1693 14.1693 k = 0.1846 0.1846 0.1846 ( 2346 PWs) bands (ev): -25.7772 -25.7772 -8.6470 -8.6470 -7.5600 -7.5600 -7.5103 -7.5103 -5.1689 -5.1689 0.9800 0.9800 1.5273 1.5273 1.5505 1.5505 4.4182 4.4182 5.4492 5.4492 5.4493 5.4493 6.8685 6.8685 6.8803 6.8803 7.4828 7.4828 12.0517 12.0517 12.0523 12.0523 12.6367 12.6367 14.2198 14.2198 k = 0.1923 0.1923 0.1923 ( 2349 PWs) bands (ev): -25.7767 -25.7767 -8.6498 -8.6498 -7.5638 -7.5638 -7.5135 -7.5135 -5.1514 -5.1514 0.9573 0.9573 1.4844 1.4844 1.5073 1.5073 4.4995 4.4995 5.5405 5.5405 5.5406 5.5406 6.7856 6.7856 6.7986 6.7986 7.3881 7.3881 12.1068 12.1068 12.1076 12.1076 12.7012 12.7012 14.2751 14.2751 k = 0.2000 0.2000 0.2000 ( 2349 PWs) bands (ev): -25.7762 -25.7762 -8.6526 -8.6526 -7.5674 -7.5674 -7.5167 -7.5167 -5.1345 -5.1345 0.9373 0.9373 1.4421 1.4421 1.4647 1.4647 4.5795 4.5795 5.6312 5.6312 5.6312 5.6312 6.7049 6.7049 6.7191 6.7191 7.2928 7.2928 12.1655 12.1655 12.1666 12.1666 12.7682 12.7682 14.3328 14.3328 k = 0.2077 0.2077 0.2077 ( 2349 PWs) bands (ev): -25.7756 -25.7756 -8.6553 -8.6553 -7.5706 -7.5706 -7.5200 -7.5200 -5.1181 -5.1181 0.9201 0.9201 1.4005 1.4005 1.4227 1.4227 4.6579 4.6579 5.7209 5.7209 5.7209 5.7209 6.6269 6.6269 6.6424 6.6424 7.1980 7.1980 12.2279 12.2279 12.2293 12.2293 12.8377 12.8377 14.3902 14.3902 k = 0.2154 0.2154 0.2154 ( 2355 PWs) bands (ev): -25.7751 -25.7751 -8.6580 -8.6580 -7.5736 -7.5736 -7.5232 -7.5232 -5.1023 -5.1023 0.9054 0.9054 1.3596 1.3596 1.3815 1.3815 4.7344 4.7344 5.8086 5.8086 5.8088 5.8088 6.5524 6.5524 6.5690 6.5690 7.1047 7.1047 12.2937 12.2937 12.2954 12.2954 12.9098 12.9098 14.4444 14.4444 k = 0.2231 0.2231 0.2231 ( 2364 PWs) bands (ev): -25.7746 -25.7746 -8.6606 -8.6606 -7.5764 -7.5764 -7.5265 -7.5265 -5.0872 -5.0872 0.8930 0.8930 1.3195 1.3195 1.3409 1.3409 4.8085 4.8085 5.8929 5.8929 5.8935 5.8935 6.4829 6.4829 6.5004 6.5004 7.0143 7.0143 12.3630 12.3630 12.3651 12.3651 12.9845 12.9845 14.4929 14.4929 k = 0.2308 0.2308 0.2308 ( 2359 PWs) bands (ev): -25.7740 -25.7740 -8.6631 -8.6631 -7.5789 -7.5789 -7.5297 -7.5297 -5.0726 -5.0726 0.8828 0.8828 1.2801 1.2801 1.3010 1.3010 4.8794 4.8794 5.9708 5.9708 5.9724 5.9724 6.4213 6.4213 6.4393 6.4393 6.9280 6.9280 12.4358 12.4358 12.4383 12.4383 13.0617 13.0617 14.5335 14.5335 k = 0.2385 0.2385 0.2385 ( 2365 PWs) bands (ev): -25.7735 -25.7735 -8.6656 -8.6656 -7.5811 -7.5811 -7.5330 -7.5330 -5.0586 -5.0586 0.8744 0.8744 1.2414 1.2414 1.2618 1.2618 4.9465 4.9465 6.0351 6.0351 6.0390 6.0390 6.3748 6.3748 6.3918 6.3918 6.8471 6.8471 12.5120 12.5120 12.5149 12.5149 13.1414 13.1414 14.5652 14.5652 k = 0.2462 0.2462 0.2462 ( 2383 PWs) bands (ev): -25.7729 -25.7729 -8.6680 -8.6680 -7.5831 -7.5831 -7.5362 -7.5362 -5.0452 -5.0452 0.8676 0.8676 1.2035 1.2035 1.2232 1.2232 5.0088 5.0088 6.0706 6.0706 6.0801 6.0801 6.3583 6.3583 6.3714 6.3714 6.7733 6.7733 12.5916 12.5916 12.5949 12.5949 13.2236 13.2236 14.5881 14.5881 k = 0.2538 0.2538 0.2538 ( 2383 PWs) bands (ev): -25.7724 -25.7724 -8.6703 -8.6703 -7.5849 -7.5849 -7.5394 -7.5394 -5.0323 -5.0323 0.8621 0.8621 1.1664 1.1664 1.1855 1.1855 5.0653 5.0653 6.0651 6.0651 6.0817 6.0817 6.3842 6.3842 6.3918 6.3918 6.7082 6.7082 12.6746 12.6746 12.6783 12.6783 13.3083 13.3083 14.6029 14.6029 k = 0.2615 0.2615 0.2615 ( 2356 PWs) bands (ev): -25.7718 -25.7718 -8.6725 -8.6725 -7.5864 -7.5864 -7.5425 -7.5425 -5.0199 -5.0199 0.8577 0.8577 1.1302 1.1302 1.1485 1.1485 5.1146 5.1146 6.0295 6.0295 6.0513 6.0513 6.4413 6.4413 6.4453 6.4453 6.6536 6.6536 12.7608 12.7608 12.7650 12.7650 13.3955 13.3955 14.6108 14.6108 k = 0.2692 0.2692 0.2692 ( 2362 PWs) bands (ev): -25.7713 -25.7713 -8.6746 -8.6746 -7.5878 -7.5878 -7.5456 -7.5456 -5.0079 -5.0079 0.8540 0.8540 1.0947 1.0947 1.1122 1.1122 5.1557 5.1557 5.9810 5.9810 6.0062 6.0062 6.5124 6.5124 6.5146 6.5146 6.6110 6.6110 12.8503 12.8503 12.8551 12.8551 13.4852 13.4852 14.6132 14.6132 k = 0.2769 0.2769 0.2769 ( 2356 PWs) bands (ev): -25.7707 -25.7707 -8.6767 -8.6767 -7.5889 -7.5889 -7.5487 -7.5487 -4.9964 -4.9964 0.8507 0.8507 1.0601 1.0601 1.0767 1.0767 5.1875 5.1875 5.9280 5.9280 5.9559 5.9559 6.5814 6.5814 6.5895 6.5895 6.5902 6.5902 12.9430 12.9430 12.9483 12.9483 13.5774 13.5774 14.6112 14.6112 k = 0.2846 0.2846 0.2846 ( 2359 PWs) bands (ev): -25.7702 -25.7702 -8.6787 -8.6787 -7.5899 -7.5899 -7.5517 -7.5517 -4.9851 -4.9851 0.8474 0.8474 1.0263 1.0263 1.0421 1.0421 5.2093 5.2093 5.8741 5.8741 5.9041 5.9041 6.5674 6.5674 6.6672 6.6672 6.6679 6.6679 13.0388 13.0388 13.0447 13.0447 13.6720 13.6720 14.6056 14.6056 k = 0.2923 0.2923 0.2923 ( 2359 PWs) bands (ev): -25.7697 -25.7697 -8.6806 -8.6806 -7.5907 -7.5907 -7.5546 -7.5546 -4.9742 -4.9742 0.8439 0.8439 0.9934 0.9934 1.0082 1.0082 5.2213 5.2213 5.8207 5.8207 5.8528 5.8528 6.5676 6.5676 6.7456 6.7456 6.7460 6.7460 13.1378 13.1378 13.1442 13.1442 13.7690 13.7690 14.5972 14.5972 k = 0.3000 0.3000 0.3000 ( 2371 PWs) bands (ev): -25.7691 -25.7691 -8.6824 -8.6824 -7.5914 -7.5914 -7.5575 -7.5575 -4.9635 -4.9635 0.8399 0.8399 0.9615 0.9615 0.9751 0.9751 5.2243 5.2243 5.7687 5.7687 5.8027 5.8027 6.5821 6.5821 6.8232 6.8232 6.8233 6.8233 13.2397 13.2397 13.2468 13.2468 13.8685 13.8685 14.5864 14.5864 k = 0.3077 0.3077 0.3077 ( 2365 PWs) bands (ev): -25.7686 -25.7686 -8.6842 -8.6842 -7.5920 -7.5920 -7.5602 -7.5602 -4.9530 -4.9530 0.8349 0.8349 0.9306 0.9306 0.9430 0.9430 5.2196 5.2196 5.7184 5.7184 5.7543 5.7543 6.6097 6.6097 6.8994 6.8994 6.8994 6.8994 13.3444 13.3444 13.3523 13.3523 13.9703 13.9703 14.5737 14.5737 k = 0.3154 0.3154 0.3154 ( 2365 PWs) bands (ev): -25.7681 -25.7681 -8.6858 -8.6858 -7.5925 -7.5925 -7.5629 -7.5629 -4.9427 -4.9427 0.8287 0.8287 0.9008 0.9008 0.9117 0.9117 5.2091 5.2091 5.6701 5.6701 5.7078 5.7078 6.6485 6.6485 6.9739 6.9739 6.9740 6.9740 13.4520 13.4520 13.4605 13.4605 14.0746 14.0746 14.5592 14.5592 k = 0.3231 0.3231 0.3231 ( 2365 PWs) bands (ev): -25.7676 -25.7676 -8.6875 -8.6875 -7.5929 -7.5929 -7.5656 -7.5656 -4.9325 -4.9325 0.8209 0.8209 0.8724 0.8724 0.8814 0.8814 5.1946 5.1946 5.6239 5.6239 5.6633 5.6633 6.6968 6.6968 7.0464 7.0464 7.0467 7.0467 13.5622 13.5622 13.5715 13.5715 14.1812 14.1812 14.5430 14.5430 k = 0.3308 0.3308 0.3308 ( 2365 PWs) bands (ev): -25.7672 -25.7672 -8.6890 -8.6890 -7.5932 -7.5932 -7.5681 -7.5681 -4.9223 -4.9223 0.8107 0.8107 0.8459 0.8459 0.8520 0.8520 5.1779 5.1779 5.5798 5.5798 5.6210 5.6210 6.7528 6.7528 7.1168 7.1168 7.1172 7.1172 13.6748 13.6748 13.6849 13.6849 14.2902 14.2902 14.5251 14.5251 k = 0.3385 0.3385 0.3385 ( 2365 PWs) bands (ev): -25.7667 -25.7667 -8.6905 -8.6905 -7.5935 -7.5935 -7.5705 -7.5705 -4.9123 -4.9123 0.7967 0.7967 0.8227 0.8227 0.8236 0.8236 5.1605 5.1605 5.5380 5.5380 5.5808 5.5808 6.8147 6.8147 7.1848 7.1848 7.1853 7.1853 13.7896 13.7896 13.8006 13.8006 14.4015 14.4015 14.5056 14.5056 k = 0.3462 0.3462 0.3462 ( 2362 PWs) bands (ev): -25.7662 -25.7662 -8.6919 -8.6919 -7.5937 -7.5937 -7.5728 -7.5728 -4.9023 -4.9023 0.7778 0.7778 0.7963 0.7963 0.8039 0.8039 5.1437 5.1437 5.4984 5.4984 5.5427 5.5427 6.8812 6.8812 7.2504 7.2504 7.2510 7.2510 13.9064 13.9064 13.9184 13.9184 14.4842 14.4842 14.5152 14.5152 k = 0.3538 0.3538 0.3538 ( 2368 PWs) bands (ev): -25.7658 -25.7658 -8.6932 -8.6932 -7.5939 -7.5939 -7.5751 -7.5751 -4.8923 -4.8923 0.7556 0.7556 0.7699 0.7699 0.7878 0.7878 5.1284 5.1284 5.4611 5.4611 5.5068 5.5068 6.9509 6.9509 7.3134 7.3134 7.3140 7.3140 14.0249 14.0249 14.0379 14.0379 14.4609 14.4609 14.6311 14.6311 k = 0.3615 0.3615 0.3615 ( 2374 PWs) bands (ev): -25.7654 -25.7654 -8.6945 -8.6945 -7.5941 -7.5941 -7.5772 -7.5772 -4.8825 -4.8825 0.7328 0.7328 0.7447 0.7447 0.7720 0.7720 5.1151 5.1151 5.4261 5.4261 5.4730 5.4730 7.0228 7.0228 7.3736 7.3736 7.3743 7.3743 14.1446 14.1446 14.1589 14.1589 14.4356 14.4356 14.7493 14.7493 k = 0.3692 0.3692 0.3692 ( 2368 PWs) bands (ev): -25.7650 -25.7650 -8.6957 -8.6957 -7.5942 -7.5942 -7.5792 -7.5792 -4.8726 -4.8726 0.7104 0.7104 0.7206 0.7206 0.7555 0.7555 5.1043 5.1043 5.3933 5.3933 5.4414 5.4414 7.0960 7.0960 7.4310 7.4310 7.4318 7.4318 14.2647 14.2647 14.2809 14.2809 14.4084 14.4084 14.8697 14.8697 k = 0.3769 0.3769 0.3769 ( 2368 PWs) bands (ev): -25.7646 -25.7646 -8.6969 -8.6969 -7.5943 -7.5943 -7.5811 -7.5811 -4.8629 -4.8629 0.6888 0.6888 0.6976 0.6976 0.7380 0.7380 5.0962 5.0962 5.3627 5.3627 5.4118 5.4118 7.1697 7.1697 7.4854 7.4854 7.4864 7.4864 14.3655 14.3655 14.3985 14.3985 14.4033 14.4033 14.9923 14.9923 k = 0.3846 0.3846 0.3846 ( 2368 PWs) bands (ev): -25.7642 -25.7642 -8.6979 -8.6979 -7.5945 -7.5945 -7.5830 -7.5830 -4.8534 -4.8534 0.6681 0.6681 0.6759 0.6759 0.7196 0.7196 5.0907 5.0907 5.3344 5.3344 5.3843 5.3843 7.2431 7.2431 7.5369 7.5369 7.5379 7.5379 14.3415 14.3415 14.5105 14.5105 14.5257 14.5257 15.1171 15.1171 k = 0.3923 0.3923 0.3923 ( 2374 PWs) bands (ev): -25.7639 -25.7639 -8.6989 -8.6989 -7.5946 -7.5946 -7.5847 -7.5847 -4.8440 -4.8440 0.6486 0.6486 0.6553 0.6553 0.7005 0.7005 5.0877 5.0877 5.3084 5.3084 5.3588 5.3588 7.3156 7.3156 7.5853 7.5853 7.5864 7.5864 14.3064 14.3064 14.6304 14.6304 14.6474 14.6474 15.0382 15.0382 k = 0.4000 0.4000 0.4000 ( 2374 PWs) bands (ev): -25.7636 -25.7636 -8.6999 -8.6999 -7.5948 -7.5948 -7.5862 -7.5862 -4.8349 -4.8349 0.6303 0.6303 0.6361 0.6361 0.6809 0.6809 5.0870 5.0870 5.2846 5.2846 5.3353 5.3353 7.3865 7.3865 7.6305 7.6305 7.6317 7.6317 14.2686 14.2686 14.7491 14.7491 14.7675 14.7675 14.9597 14.9597 k = 0.4077 0.4077 0.4077 ( 2365 PWs) bands (ev): -25.7632 -25.7632 -8.7008 -8.7008 -7.5949 -7.5949 -7.5877 -7.5877 -4.8260 -4.8260 0.6131 0.6131 0.6181 0.6181 0.6612 0.6612 5.0882 5.0882 5.2632 5.2632 5.3137 5.3137 7.4553 7.4553 7.6726 7.6726 7.6739 7.6739 14.2288 14.2288 14.8645 14.8645 14.8850 14.8850 14.8884 14.8884 k = 0.4154 0.4154 0.4154 ( 2365 PWs) bands (ev): -25.7630 -25.7630 -8.7016 -8.7016 -7.5951 -7.5951 -7.5891 -7.5891 -4.8175 -4.8175 0.5972 0.5972 0.6014 0.6014 0.6415 0.6415 5.0907 5.0907 5.2443 5.2443 5.2940 5.2940 7.5213 7.5213 7.7114 7.7114 7.7128 7.7128 14.1879 14.1879 14.8203 14.8203 14.9791 14.9791 14.9989 14.9989 k = 0.4231 0.4231 0.4231 ( 2365 PWs) bands (ev): -25.7627 -25.7627 -8.7023 -8.7023 -7.5952 -7.5952 -7.5903 -7.5903 -4.8094 -4.8094 0.5826 0.5826 0.5860 0.5860 0.6223 0.6223 5.0941 5.0941 5.2279 5.2279 5.2762 5.2762 7.5840 7.5840 7.7470 7.7470 7.7484 7.7484 14.1467 14.1467 14.7593 14.7593 15.0877 15.0877 15.1079 15.1079 k = 0.4308 0.4308 0.4308 ( 2365 PWs) bands (ev): -25.7625 -25.7625 -8.7030 -8.7030 -7.5954 -7.5954 -7.5914 -7.5914 -4.8018 -4.8018 0.5693 0.5693 0.5721 0.5721 0.6037 0.6037 5.0977 5.0977 5.2142 5.2142 5.2601 5.2601 7.6428 7.6428 7.7793 7.7793 7.7807 7.7807 14.1062 14.1062 14.7035 14.7035 15.1907 15.1907 15.2105 15.2105 k = 0.4385 0.4385 0.4385 ( 2359 PWs) bands (ev): -25.7623 -25.7623 -8.7036 -8.7036 -7.5955 -7.5955 -7.5924 -7.5924 -4.7947 -4.7947 0.5573 0.5573 0.5595 0.5595 0.5861 0.5861 5.1009 5.1009 5.2036 5.2036 5.2459 5.2459 7.6972 7.6972 7.8082 7.8082 7.8097 7.8097 14.0675 14.0675 14.6525 14.6525 15.2868 15.2868 15.3050 15.3050 k = 0.4462 0.4462 0.4462 ( 2365 PWs) bands (ev): -25.7621 -25.7621 -8.7042 -8.7042 -7.5957 -7.5957 -7.5933 -7.5933 -4.7883 -4.7883 0.5467 0.5467 0.5484 0.5484 0.5699 0.5699 5.1030 5.1030 5.1960 5.1960 5.2334 5.2334 7.7466 7.7466 7.8338 7.8338 7.8353 7.8353 14.0314 14.0314 14.6062 14.6062 15.3748 15.3748 15.3898 15.3898 k = 0.4538 0.4538 0.4538 ( 2353 PWs) bands (ev): -25.7619 -25.7619 -8.7046 -8.7046 -7.5958 -7.5958 -7.5941 -7.5941 -4.7825 -4.7825 0.5375 0.5375 0.5387 0.5387 0.5552 0.5552 5.1037 5.1037 5.1916 5.1916 5.2227 5.2227 7.7906 7.7906 7.8560 7.8560 7.8576 7.8576 13.9987 13.9987 14.5648 14.5648 15.4535 15.4535 15.4632 15.4632 k = 0.4615 0.4615 0.4615 ( 2353 PWs) bands (ev): -25.7618 -25.7618 -8.7050 -8.7050 -7.5959 -7.5959 -7.5947 -7.5947 -4.7776 -4.7776 0.5296 0.5296 0.5305 0.5305 0.5424 0.5424 5.1031 5.1031 5.1898 5.1898 5.2137 5.2137 7.8287 7.8287 7.8748 7.8748 7.8764 7.8764 13.9702 13.9702 14.5285 14.5285 15.5213 15.5213 15.5239 15.5239 k = 0.4692 0.4692 0.4692 ( 2347 PWs) bands (ev): -25.7616 -25.7616 -8.7054 -8.7054 -7.5960 -7.5960 -7.5953 -7.5953 -4.7734 -4.7734 0.5232 0.5232 0.5237 0.5237 0.5316 0.5316 5.1016 5.1016 5.1898 5.1898 5.2063 5.2063 7.8605 7.8605 7.8902 7.8902 7.8919 7.8919 13.9462 13.9462 14.4977 14.4977 15.5715 15.5715 15.5770 15.5770 k = 0.4769 0.4769 0.4769 ( 2341 PWs) bands (ev): -25.7616 -25.7616 -8.7056 -8.7056 -7.5961 -7.5961 -7.5957 -7.5957 -4.7702 -4.7702 0.5182 0.5182 0.5185 0.5185 0.5230 0.5230 5.0998 5.0998 5.1908 5.1908 5.2006 5.2006 7.8855 7.8855 7.9022 7.9022 7.9039 7.9039 13.9273 13.9273 14.4731 14.4731 15.6066 15.6066 15.6180 15.6180 k = 0.4846 0.4846 0.4846 ( 2320 PWs) bands (ev): -25.7615 -25.7615 -8.7058 -8.7058 -7.5962 -7.5962 -7.5960 -7.5960 -4.7678 -4.7678 0.5146 0.5146 0.5147 0.5147 0.5168 0.5168 5.0981 5.0981 5.1920 5.1920 5.1965 5.1965 7.9036 7.9036 7.9107 7.9107 7.9126 7.9126 13.9136 13.9136 14.4550 14.4550 15.6304 15.6304 15.6414 15.6414 k = 0.4923 0.4923 0.4923 ( 2320 PWs) bands (ev): -25.7614 -25.7614 -8.7059 -8.7059 -7.5962 -7.5962 -7.5961 -7.5961 -4.7663 -4.7663 0.5124 0.5124 0.5125 0.5125 0.5130 0.5130 5.0970 5.0970 5.1929 5.1929 5.1941 5.1941 7.9143 7.9143 7.9159 7.9159 7.9181 7.9181 13.9054 13.9054 14.4440 14.4440 15.6441 15.6441 15.6482 15.6482 k = 0.5000 0.5000 0.5000 ( 2320 PWs) bands (ev): -25.7614 -25.7614 -8.7060 -8.7060 -7.5962 -7.5962 -7.5962 -7.5962 -4.7658 -4.7658 0.5117 0.5117 0.5117 0.5117 0.5117 0.5117 5.0966 5.0966 5.1933 5.1933 5.1933 5.1933 7.9176 7.9176 7.9176 7.9176 7.9202 7.9202 13.9026 13.9026 14.4403 14.4403 15.6486 15.6486 15.6486 15.6486 k = 0.5000 0.5000 0.5000 ( 2320 PWs) bands (ev): -25.7614 -25.7614 -8.7060 -8.7060 -7.5962 -7.5962 -7.5962 -7.5962 -4.7658 -4.7658 0.5117 0.5117 0.5117 0.5117 0.5117 0.5117 5.0966 5.0966 5.1933 5.1933 5.1933 5.1933 7.9176 7.9176 7.9176 7.9176 7.9202 7.9202 13.9026 13.9026 14.4403 14.4403 15.6486 15.6486 15.6486 15.6486 k = 0.4907 0.5000 0.4907 ( 2320 PWs) bands (ev): -25.7614 -25.7614 -8.7059 -8.7059 -7.5962 -7.5962 -7.5961 -7.5961 -4.7663 -4.7663 0.5118 0.5118 0.5127 0.5127 0.5132 0.5132 5.0970 5.0970 5.1928 5.1928 5.1942 5.1942 7.9138 7.9138 7.9159 7.9159 7.9188 7.9188 13.9053 13.9053 14.4438 14.4438 15.6442 15.6442 15.6483 15.6483 k = 0.4815 0.5000 0.4815 ( 2320 PWs) bands (ev): -25.7615 -25.7615 -8.7058 -8.7058 -7.5964 -7.5964 -7.5958 -7.5958 -4.7677 -4.7677 0.5123 0.5123 0.5157 0.5157 0.5177 0.5177 5.0980 5.0980 5.1916 5.1916 5.1969 5.1969 7.9012 7.9012 7.9088 7.9088 7.9179 7.9179 13.9132 13.9132 14.4545 14.4545 15.6307 15.6307 15.6431 15.6431 k = 0.4722 0.5000 0.4722 ( 2336 PWs) bands (ev): -25.7615 -25.7615 -8.7056 -8.7056 -7.5966 -7.5966 -7.5952 -7.5952 -4.7700 -4.7700 0.5129 0.5129 0.5207 0.5207 0.5252 0.5252 5.0994 5.0994 5.1899 5.1899 5.2015 5.2015 7.8801 7.8801 7.8969 7.8969 7.9169 7.9169 13.9263 13.9263 14.4721 14.4721 15.6071 15.6071 15.6241 15.6241 k = 0.4630 0.5000 0.4630 ( 2348 PWs) bands (ev): -25.7616 -25.7616 -8.7054 -8.7054 -7.5968 -7.5968 -7.5945 -7.5945 -4.7732 -4.7732 0.5138 0.5138 0.5276 0.5276 0.5357 0.5357 5.1006 5.1006 5.1883 5.1883 5.2081 5.2081 7.8508 7.8508 7.8802 7.8802 7.9156 7.9156 13.9442 13.9442 14.4960 14.4960 15.5722 15.5722 15.5907 15.5907 k = 0.4537 0.5000 0.4537 ( 2348 PWs) bands (ev): -25.7617 -25.7617 -8.7051 -8.7051 -7.5972 -7.5972 -7.5935 -7.5935 -4.7772 -4.7772 0.5148 0.5148 0.5366 0.5366 0.5490 0.5490 5.1008 5.1008 5.1877 5.1877 5.2168 5.2168 7.8138 7.8138 7.8588 7.8588 7.9138 7.9138 13.9667 13.9667 14.5257 14.5257 15.5243 15.5243 15.5485 15.5485 k = 0.4444 0.5000 0.4444 ( 2354 PWs) bands (ev): -25.7619 -25.7619 -8.7047 -8.7047 -7.5976 -7.5976 -7.5923 -7.5923 -4.7820 -4.7820 0.5158 0.5158 0.5476 0.5476 0.5652 0.5652 5.0993 5.0993 5.1890 5.1890 5.2277 5.2277 7.7694 7.7694 7.8327 7.8327 7.9116 7.9116 13.9934 13.9934 14.5602 14.5602 15.4629 15.4629 15.5012 15.5012 k = 0.4352 0.5000 0.4352 ( 2366 PWs) bands (ev): -25.7620 -25.7620 -8.7043 -8.7043 -7.5982 -7.5982 -7.5909 -7.5909 -4.7876 -4.7876 0.5167 0.5167 0.5606 0.5606 0.5841 0.5841 5.0957 5.0957 5.1927 5.1927 5.2408 5.2408 7.7182 7.7182 7.8021 7.8021 7.9088 7.9088 14.0239 14.0239 14.5979 14.5979 15.3895 15.3895 15.4430 15.4430 k = 0.4259 0.5000 0.4259 ( 2364 PWs) bands (ev): -25.7622 -25.7622 -8.7037 -8.7037 -7.5988 -7.5988 -7.5893 -7.5893 -4.7939 -4.7939 0.5175 0.5175 0.5755 0.5755 0.6057 0.6057 5.0900 5.0900 5.1991 5.1991 5.2564 5.2564 7.6608 7.6608 7.7670 7.7670 7.9055 7.9055 14.0577 14.0577 14.6368 14.6368 15.3050 15.3050 15.3405 15.3405 k = 0.4167 0.5000 0.4167 ( 2364 PWs) bands (ev): -25.7624 -25.7624 -8.7032 -8.7032 -7.5995 -7.5995 -7.5875 -7.5875 -4.8007 -4.8007 0.5180 0.5180 0.5924 0.5924 0.6298 0.6298 5.0827 5.0827 5.2078 5.2078 5.2743 5.2743 7.5978 7.5978 7.7275 7.7275 7.9015 7.9015 14.0945 14.0945 14.6739 14.6739 15.1916 15.1916 15.2243 15.2243 k = 0.4074 0.5000 0.4074 ( 2364 PWs) bands (ev): -25.7627 -25.7627 -8.7026 -8.7026 -7.6003 -7.6003 -7.5854 -7.5854 -4.8081 -4.8081 0.5181 0.5181 0.6113 0.6113 0.6563 0.6563 5.0744 5.0744 5.2187 5.2187 5.2946 5.2946 7.5298 7.5298 7.6837 7.6837 7.8968 7.8968 14.1337 14.1337 14.7052 14.7052 15.0384 15.0384 15.1255 15.1255 k = 0.3981 0.5000 0.3981 ( 2360 PWs) bands (ev): -25.7629 -25.7629 -8.7019 -8.7019 -7.6011 -7.6011 -7.5832 -7.5832 -4.8160 -4.8160 0.5175 0.5175 0.6322 0.6322 0.6851 0.6851 5.0659 5.0659 5.2313 5.2313 5.3171 5.3171 7.4576 7.4576 7.6358 7.6358 7.8914 7.8914 14.1751 14.1751 14.7263 14.7263 14.8721 14.8721 15.0255 15.0255 k = 0.3889 0.5000 0.3889 ( 2358 PWs) bands (ev): -25.7632 -25.7632 -8.7012 -8.7012 -7.6021 -7.6021 -7.5807 -7.5807 -4.8243 -4.8243 0.5162 0.5162 0.6550 0.6550 0.7161 0.7161 5.0578 5.0578 5.2455 5.2455 5.3415 5.3415 7.3819 7.3819 7.5837 7.5837 7.8852 7.8852 14.2183 14.2183 14.6932 14.6932 14.7391 14.7391 14.9233 14.9233 k = 0.3796 0.5000 0.3796 ( 2362 PWs) bands (ev): -25.7634 -25.7634 -8.7004 -8.7004 -7.6032 -7.6032 -7.5781 -7.5781 -4.8329 -4.8329 0.5139 0.5139 0.6798 0.6798 0.7491 0.7491 5.0506 5.0506 5.2612 5.2612 5.3677 5.3677 7.3036 7.3036 7.5278 7.5278 7.8781 7.8781 14.2630 14.2630 14.5161 14.5161 14.7312 14.7312 14.8201 14.8201 k = 0.3704 0.5000 0.3704 ( 2374 PWs) bands (ev): -25.7638 -25.7638 -8.6996 -8.6996 -7.6043 -7.6043 -7.5753 -7.5753 -4.8418 -4.8418 0.5106 0.5106 0.7065 0.7065 0.7840 0.7840 5.0449 5.0449 5.2783 5.2783 5.3952 5.3952 7.2235 7.2235 7.4680 7.4680 7.8702 7.8702 14.3082 14.3082 14.3339 14.3339 14.7116 14.7116 14.7185 14.7185 k = 0.3611 0.5000 0.3611 ( 2374 PWs) bands (ev): -25.7641 -25.7641 -8.6987 -8.6987 -7.6056 -7.6056 -7.5722 -7.5722 -4.8508 -4.8508 0.5060 0.5060 0.7351 0.7351 0.8207 0.8207 5.0412 5.0412 5.2967 5.2967 5.4235 5.4235 7.1427 7.1427 7.4046 7.4046 7.8615 7.8615 14.1479 14.1479 14.3558 14.3558 14.6132 14.6132 14.6875 14.6875 k = 0.3519 0.5000 0.3519 ( 2380 PWs) bands (ev): -25.7644 -25.7644 -8.6978 -8.6978 -7.6069 -7.6069 -7.5690 -7.5690 -4.8599 -4.8599 0.5001 0.5001 0.7656 0.7656 0.8589 0.8589 5.0398 5.0398 5.3166 5.3166 5.4518 5.4518 7.0622 7.0622 7.3377 7.3377 7.8519 7.8519 13.9618 13.9618 14.4031 14.4031 14.5114 14.5114 14.6553 14.6553 k = 0.3426 0.5000 0.3426 ( 2380 PWs) bands (ev): -25.7648 -25.7648 -8.6969 -8.6969 -7.6083 -7.6083 -7.5656 -7.5656 -4.8690 -4.8690 0.4926 0.4926 0.7981 0.7981 0.8987 0.8987 5.0413 5.0413 5.3378 5.3378 5.4793 5.4793 6.9836 6.9836 7.2675 7.2675 7.8414 7.8414 13.7751 13.7751 14.4096 14.4096 14.4520 14.4520 14.6197 14.6197 k = 0.3333 0.5000 0.3333 ( 2376 PWs) bands (ev): -25.7651 -25.7651 -8.6960 -8.6960 -7.6098 -7.6098 -7.5620 -7.5620 -4.8780 -4.8780 0.4836 0.4836 0.8324 0.8324 0.9398 0.9398 5.0459 5.0459 5.3604 5.3604 5.5046 5.5046 6.9083 6.9083 7.1941 7.1941 7.8301 7.8301 13.5886 13.5886 14.3114 14.3114 14.4989 14.4989 14.5826 14.5826 k = 0.3241 0.5000 0.3241 ( 2372 PWs) bands (ev): -25.7655 -25.7655 -8.6951 -8.6951 -7.6115 -7.6115 -7.5583 -7.5583 -4.8869 -4.8869 0.4728 0.4728 0.8686 0.8686 0.9821 0.9821 5.0540 5.0540 5.3844 5.3844 5.5262 5.5262 6.8384 6.8384 7.1178 7.1178 7.8180 7.8180 13.4026 13.4026 14.2148 14.2148 14.5368 14.5368 14.5537 14.5537 k = 0.3148 0.5000 0.3148 ( 2372 PWs) bands (ev): -25.7659 -25.7659 -8.6941 -8.6941 -7.6131 -7.6131 -7.5544 -7.5544 -4.8957 -4.8957 0.4602 0.4602 0.9066 0.9066 1.0256 1.0256 5.0658 5.0658 5.4099 5.4099 5.5420 5.5420 6.7763 6.7763 7.0386 7.0386 7.8051 7.8051 13.2176 13.2176 14.1204 14.1204 14.5044 14.5044 14.5939 14.5939 k = 0.3056 0.5000 0.3056 ( 2372 PWs) bands (ev): -25.7663 -25.7663 -8.6932 -8.6932 -7.6149 -7.6149 -7.5503 -7.5503 -4.9042 -4.9042 0.4457 0.4457 0.9465 0.9465 1.0700 1.0700 5.0816 5.0816 5.4367 5.4367 5.5499 5.5499 6.7244 6.7244 6.9567 6.9567 7.7914 7.7914 13.0337 13.0337 14.0284 14.0284 14.4668 14.4668 14.6370 14.6370 k = 0.2963 0.5000 0.2963 ( 2372 PWs) bands (ev): -25.7667 -25.7667 -8.6922 -8.6922 -7.6167 -7.6167 -7.5461 -7.5461 -4.9123 -4.9123 0.4294 0.4294 0.9882 0.9882 1.1153 1.1153 5.1015 5.1015 5.4647 5.4647 5.5474 5.5474 6.6856 6.6856 6.8724 6.8724 7.7770 7.7770 12.8514 12.8514 13.9391 13.9391 14.4296 14.4296 14.6758 14.6758 k = 0.2870 0.5000 0.2870 ( 2378 PWs) bands (ev): -25.7671 -25.7671 -8.6913 -8.6913 -7.6186 -7.6186 -7.5418 -7.5418 -4.9202 -4.9202 0.4113 0.4113 1.0316 1.0316 1.1614 1.1614 5.1257 5.1257 5.4931 5.4931 5.5335 5.5335 6.6621 6.6621 6.7858 6.7858 7.7620 7.7620 12.6706 12.6706 13.8525 13.8525 14.3931 14.3931 14.7065 14.7065 k = 0.2778 0.5000 0.2778 ( 2374 PWs) bands (ev): -25.7676 -25.7676 -8.6903 -8.6903 -7.6206 -7.6206 -7.5373 -7.5373 -4.9276 -4.9276 0.3913 0.3913 1.0768 1.0768 1.2082 1.2082 5.1541 5.1541 5.4977 5.4977 5.5311 5.5311 6.6553 6.6553 6.6971 6.6971 7.7464 7.7464 12.4918 12.4918 13.7686 13.7686 14.3574 14.3574 14.7239 14.7239 k = 0.2685 0.5000 0.2685 ( 2374 PWs) bands (ev): -25.7680 -25.7680 -8.6894 -8.6894 -7.6226 -7.6226 -7.5327 -7.5327 -4.9347 -4.9347 0.3696 0.3696 1.1238 1.1238 1.2556 1.2556 5.1870 5.1870 5.4575 5.4575 5.5614 5.5614 6.6065 6.6065 6.6652 6.6652 7.7302 7.7302 12.3150 12.3150 13.6876 13.6876 14.3225 14.3225 14.7213 14.7213 k = 0.2593 0.5000 0.2593 ( 2366 PWs) bands (ev): -25.7684 -25.7684 -8.6885 -8.6885 -7.6247 -7.6247 -7.5280 -7.5280 -4.9413 -4.9413 0.3462 0.3462 1.1724 1.1724 1.3036 1.3036 5.2241 5.2241 5.4028 5.4028 5.5954 5.5954 6.5141 6.5141 6.6907 6.6907 7.7136 7.7136 12.1403 12.1403 13.6095 13.6095 14.2884 14.2884 14.6941 14.6941 k = 0.2500 0.5000 0.2500 ( 2360 PWs) bands (ev): -25.7688 -25.7688 -8.6877 -8.6877 -7.6268 -7.6268 -7.5233 -7.5233 -4.9474 -4.9474 0.3213 0.3213 1.2227 1.2227 1.3521 1.3521 5.2656 5.2656 5.3372 5.3372 5.6312 5.6312 6.4202 6.4202 6.7301 6.7301 7.6966 7.6966 11.9680 11.9680 13.5343 13.5343 14.2550 14.2550 14.6438 14.6438 k = 0.2407 0.5000 0.2407 ( 2368 PWs) bands (ev): -25.7693 -25.7693 -8.6869 -8.6869 -7.6289 -7.6289 -7.5185 -7.5185 -4.9531 -4.9531 0.2950 0.2950 1.2746 1.2746 1.4011 1.4011 5.2631 5.2631 5.3111 5.3111 5.6687 5.6687 6.3249 6.3249 6.7812 6.7812 7.6792 7.6792 11.7982 11.7982 13.4620 13.4620 14.2223 14.2223 14.5764 14.5764 k = 0.2315 0.5000 0.2315 ( 2372 PWs) bands (ev): -25.7697 -25.7697 -8.6861 -8.6861 -7.6310 -7.6310 -7.5136 -7.5136 -4.9583 -4.9583 0.2675 0.2675 1.3281 1.3281 1.4504 1.4504 5.1825 5.1825 5.3607 5.3607 5.7077 5.7077 6.2285 6.2285 6.8423 6.8423 7.6616 7.6616 11.6309 11.6309 13.3925 13.3925 14.1902 14.1902 14.4979 14.4979 k = 0.2222 0.5000 0.2222 ( 2368 PWs) bands (ev): -25.7701 -25.7701 -8.6853 -8.6853 -7.6331 -7.6331 -7.5087 -7.5087 -4.9630 -4.9630 0.2389 0.2389 1.3832 1.3832 1.5002 1.5002 5.0971 5.0971 5.4140 5.4140 5.7483 5.7483 6.1311 6.1311 6.9116 6.9116 7.6438 7.6438 11.4663 11.4663 13.3261 13.3261 14.1587 14.1587 14.4125 14.4125 k = 0.2130 0.5000 0.2130 ( 2360 PWs) bands (ev): -25.7706 -25.7706 -8.6846 -8.6846 -7.6352 -7.6352 -7.5037 -7.5037 -4.9672 -4.9672 0.2095 0.2095 1.4397 1.4397 1.5503 1.5503 5.0082 5.0082 5.4708 5.4708 5.7903 5.7903 6.0329 6.0329 6.9878 6.9878 7.6259 7.6259 11.3046 11.3046 13.2625 13.2625 14.1277 14.1277 14.3229 14.3229 k = 0.2037 0.5000 0.2037 ( 2364 PWs) bands (ev): -25.7710 -25.7710 -8.6840 -8.6840 -7.6373 -7.6373 -7.4988 -7.4988 -4.9710 -4.9710 0.1793 0.1793 1.4975 1.4975 1.6009 1.6009 4.9168 4.9168 5.5309 5.5309 5.8339 5.8339 5.9341 5.9341 7.0698 7.0698 7.6079 7.6079 11.1459 11.1459 13.2018 13.2018 14.0972 14.0972 14.2306 14.2306 k = 0.1944 0.5000 0.1944 ( 2368 PWs) bands (ev): -25.7714 -25.7714 -8.6834 -8.6834 -7.6394 -7.6394 -7.4939 -7.4939 -4.9743 -4.9743 0.1487 0.1487 1.5567 1.5567 1.6517 1.6517 4.8238 4.8238 5.5940 5.5940 5.8349 5.8349 5.8788 5.8788 7.1566 7.1566 7.5900 7.5900 10.9903 10.9903 13.1440 13.1440 14.0671 14.0671 14.1364 14.1364 k = 0.1852 0.5000 0.1852 ( 2368 PWs) bands (ev): -25.7718 -25.7718 -8.6828 -8.6828 -7.6414 -7.6414 -7.4890 -7.4890 -4.9772 -4.9772 0.1179 0.1179 1.6172 1.6172 1.7030 1.7030 4.7300 4.7300 5.6597 5.6597 5.7355 5.7355 5.9251 5.9251 7.2474 7.2474 7.5721 7.5721 10.8379 10.8379 13.0891 13.0891 14.0368 14.0368 14.0415 14.0415 k = 0.1759 0.5000 0.1759 ( 2368 PWs) bands (ev): -25.7722 -25.7722 -8.6823 -8.6823 -7.6434 -7.6434 -7.4842 -7.4842 -4.9796 -4.9796 0.0870 0.0870 1.6788 1.6788 1.7546 1.7546 4.6357 4.6357 5.6362 5.6362 5.7277 5.7277 5.9727 5.9727 7.3416 7.3416 7.5544 7.5544 10.6889 10.6889 13.0370 13.0370 13.9446 13.9446 14.0080 14.0080 k = 0.1667 0.5000 0.1667 ( 2350 PWs) bands (ev): -25.7726 -25.7726 -8.6819 -8.6819 -7.6453 -7.6453 -7.4794 -7.4794 -4.9816 -4.9816 0.0563 0.0563 1.7415 1.7415 1.8066 1.8066 4.5414 4.5414 5.5371 5.5371 5.7974 5.7974 6.0215 6.0215 7.4385 7.4385 7.5368 7.5368 10.5436 10.5436 12.9878 12.9878 13.8478 13.8478 13.9788 13.9788 k = 0.1574 0.5000 0.1574 ( 2370 PWs) bands (ev): -25.7730 -25.7730 -8.6815 -8.6815 -7.6471 -7.6471 -7.4748 -7.4748 -4.9833 -4.9833 0.0259 0.0259 1.8050 1.8050 1.8591 1.8591 4.4475 4.4475 5.4385 5.4385 5.8686 5.8686 6.0714 6.0714 7.5195 7.5195 7.5375 7.5375 10.4019 10.4019 12.9413 12.9413 13.7506 13.7506 13.9497 13.9497 k = 0.1481 0.5000 0.1481 ( 2370 PWs) bands (ev): -25.7733 -25.7733 -8.6811 -8.6811 -7.6489 -7.6489 -7.4703 -7.4703 -4.9847 -4.9847 -0.0039 -0.0039 1.8693 1.8693 1.9119 1.9119 4.3544 4.3544 5.3406 5.3406 5.9408 5.9408 6.1222 6.1222 7.5025 7.5025 7.6379 7.6379 10.2643 10.2643 12.8976 12.8976 13.6533 13.6533 13.9205 13.9205 k = 0.1389 0.5000 0.1389 ( 2370 PWs) bands (ev): -25.7737 -25.7737 -8.6808 -8.6808 -7.6506 -7.6506 -7.4659 -7.4659 -4.9857 -4.9857 -0.0329 -0.0329 1.9342 1.9342 1.9651 1.9651 4.2621 4.2621 5.2436 5.2436 6.0134 6.0134 6.1738 6.1738 7.4858 7.4858 7.7391 7.7391 10.1309 10.1309 12.8568 12.8568 13.5562 13.5562 13.8911 13.8911 k = 0.1296 0.5000 0.1296 ( 2370 PWs) bands (ev): -25.7740 -25.7740 -8.6806 -8.6806 -7.6522 -7.6522 -7.4617 -7.4617 -4.9865 -4.9865 -0.0610 -0.0610 1.9995 1.9995 2.0188 2.0188 4.1711 4.1711 5.1480 5.1480 6.0859 6.0859 6.2260 6.2260 7.4695 7.4695 7.8406 7.8406 10.0019 10.0019 12.8186 12.8186 13.4597 13.4597 13.8612 13.8612 k = 0.1204 0.5000 0.1204 ( 2362 PWs) bands (ev): -25.7743 -25.7743 -8.6804 -8.6804 -7.6537 -7.6537 -7.4576 -7.4576 -4.9870 -4.9870 -0.0879 -0.0879 2.0650 2.0650 2.0729 2.0729 4.0814 4.0814 5.0540 5.0540 6.1578 6.1578 6.2785 6.2785 7.4536 7.4536 7.9416 7.9416 9.8777 9.8777 12.7832 12.7832 13.3640 13.3640 13.8305 13.8305 k = 0.1111 0.5000 0.1111 ( 2362 PWs) bands (ev): -25.7746 -25.7746 -8.6802 -8.6802 -7.6551 -7.6551 -7.4538 -7.4538 -4.9874 -4.9874 -0.1135 -0.1135 2.1273 2.1273 2.1302 2.1302 3.9933 3.9933 4.9620 4.9620 6.2285 6.2285 6.3310 6.3310 7.4381 7.4381 8.0414 8.0414 9.7586 9.7586 12.7505 12.7505 13.2698 13.2698 13.7987 13.7987 k = 0.1019 0.5000 0.1019 ( 2362 PWs) bands (ev): -25.7749 -25.7749 -8.6800 -8.6800 -7.6564 -7.6564 -7.4502 -7.4502 -4.9875 -4.9875 -0.1377 -0.1377 2.1821 2.1821 2.1949 2.1949 3.9071 3.9071 4.8724 4.8724 6.2974 6.2974 6.3833 6.3833 7.4231 7.4231 8.1392 8.1392 9.6451 9.6451 12.7204 12.7204 13.1776 13.1776 13.7654 13.7654 k = 0.0926 0.5000 0.0926 ( 2356 PWs) bands (ev): -25.7751 -25.7751 -8.6799 -8.6799 -7.6576 -7.6576 -7.4468 -7.4468 -4.9875 -4.9875 -0.1602 -0.1602 2.2371 2.2371 2.2587 2.2587 3.8229 3.8229 4.7857 4.7857 6.3639 6.3639 6.4349 6.4349 7.4085 7.4085 8.2341 8.2341 9.5376 9.5376 12.6931 12.6931 13.0882 13.0882 13.7302 13.7302 k = 0.0833 0.5000 0.0833 ( 2356 PWs) bands (ev): -25.7753 -25.7753 -8.6798 -8.6798 -7.6586 -7.6586 -7.4437 -7.4437 -4.9874 -4.9874 -0.1811 -0.1811 2.2922 2.2922 2.3209 2.3209 3.7410 3.7410 4.7026 4.7026 6.4271 6.4271 6.4853 6.4853 7.3945 7.3945 8.3251 8.3251 9.4366 9.4366 12.6683 12.6683 13.0023 13.0023 13.6933 13.6933 k = 0.0741 0.5000 0.0741 ( 2356 PWs) bands (ev): -25.7755 -25.7755 -8.6798 -8.6798 -7.6596 -7.6596 -7.4408 -7.4408 -4.9872 -4.9872 -0.2001 -0.2001 2.3472 2.3472 2.3810 2.3810 3.6618 3.6618 4.6236 4.6236 6.4865 6.4865 6.5340 6.5340 7.3810 7.3810 8.4113 8.4113 9.3429 9.3429 12.6463 12.6463 12.9208 12.9208 13.6548 13.6548 k = 0.0648 0.5000 0.0648 ( 2364 PWs) bands (ev): -25.7757 -25.7757 -8.6797 -8.6797 -7.6605 -7.6605 -7.4383 -7.4383 -4.9870 -4.9870 -0.2171 -0.2171 2.4016 2.4016 2.4381 2.4381 3.5858 3.5858 4.5497 4.5497 6.5412 6.5412 6.5804 6.5804 7.3683 7.3683 8.4914 8.4914 9.2571 9.2571 12.6268 12.6268 12.8449 12.8449 13.6157 13.6157 k = 0.0556 0.5000 0.0556 ( 2368 PWs) bands (ev): -25.7759 -25.7759 -8.6797 -8.6797 -7.6612 -7.6612 -7.4361 -7.4361 -4.9868 -4.9868 -0.2320 -0.2320 2.4550 2.4550 2.4914 2.4914 3.5135 3.5135 4.4818 4.4818 6.5905 6.5905 6.6237 6.6237 7.3563 7.3563 8.5643 8.5643 9.1800 9.1800 12.6099 12.6099 12.7757 12.7757 13.5771 13.5771 k = 0.0463 0.5000 0.0463 ( 2376 PWs) bands (ev): -25.7760 -25.7760 -8.6797 -8.6797 -7.6619 -7.6619 -7.4341 -7.4341 -4.9865 -4.9865 -0.2448 -0.2448 2.5064 2.5064 2.5398 2.5398 3.4459 3.4459 4.4211 4.4211 6.6337 6.6337 6.6631 6.6631 7.3454 7.3454 8.6289 8.6289 9.1125 9.1125 12.5957 12.5957 12.7144 12.7144 13.5407 13.5407 k = 0.0370 0.5000 0.0370 ( 2376 PWs) bands (ev): -25.7761 -25.7761 -8.6797 -8.6797 -7.6624 -7.6624 -7.4326 -7.4326 -4.9863 -4.9863 -0.2554 -0.2554 2.5546 2.5546 2.5820 2.5820 3.3844 3.3844 4.3687 4.3687 6.6700 6.6700 6.6975 6.6975 7.3357 7.3357 8.6837 8.6837 9.0556 9.0556 12.5839 12.5839 12.6622 12.6622 13.5082 13.5082 k = 0.0278 0.5000 0.0278 ( 2376 PWs) bands (ev): -25.7762 -25.7762 -8.6797 -8.6797 -7.6628 -7.6628 -7.4313 -7.4313 -4.9861 -4.9861 -0.2636 -0.2636 2.5977 2.5977 2.6167 2.6167 3.3310 3.3310 4.3260 4.3260 6.6990 6.6990 6.7257 6.7257 7.3276 7.3276 8.7279 8.7279 9.0101 9.0101 12.5747 12.5747 12.6203 12.6203 13.4812 13.4812 k = 0.0185 0.5000 0.0185 ( 2376 PWs) bands (ev): -25.7763 -25.7763 -8.6797 -8.6797 -7.6631 -7.6631 -7.4304 -7.4304 -4.9860 -4.9860 -0.2696 -0.2696 2.6327 2.6327 2.6427 2.6427 3.2886 3.2886 4.2943 4.2943 6.7202 6.7202 6.7468 6.7468 7.3215 7.3215 8.7602 8.7602 8.9769 8.9769 12.5676 12.5676 12.5901 12.5901 13.4610 13.4610 k = 0.0093 0.5000 0.0093 ( 2376 PWs) bands (ev): -25.7763 -25.7763 -8.6797 -8.6797 -7.6632 -7.6632 -7.4299 -7.4299 -4.9859 -4.9859 -0.2732 -0.2732 2.6560 2.6560 2.6588 2.6588 3.2608 3.2608 4.2748 4.2748 6.7331 6.7331 6.7598 6.7598 7.3176 7.3176 8.7799 8.7799 8.9567 8.9567 12.5617 12.5617 12.5731 12.5731 13.4485 13.4485 k = 0.0000 0.5000-0.0000 ( 2392 PWs) bands (ev): -25.7764 -25.7764 -8.6797 -8.6797 -7.6633 -7.6633 -7.4297 -7.4297 -4.9858 -4.9858 -0.2744 -0.2744 2.6642 2.6642 2.6642 2.6642 3.2510 3.2510 4.2682 4.2682 6.7374 6.7374 6.7643 6.7643 7.3163 7.3163 8.7865 8.7865 8.9499 8.9499 12.5585 12.5585 12.5687 12.5687 13.4442 13.4442 k = 0.5000 0.5000-0.0000 ( 2360 PWs) bands (ev): -25.7688 -25.7688 -8.6925 -8.6925 -7.6589 -7.6589 -7.4778 -7.4778 -5.0105 -5.0105 0.5633 0.5633 0.6139 0.6139 3.3943 3.3943 3.4506 3.4506 4.2753 4.2753 6.2185 6.2185 6.2194 6.2194 7.5958 7.5958 7.5969 7.5969 12.3617 12.3617 12.4084 12.4084 14.1267 14.1267 14.1975 14.1975 k = 0.5000 0.5000 0.0132 ( 2360 PWs) bands (ev): -25.7688 -25.7688 -8.6925 -8.6925 -7.6587 -7.6587 -7.4781 -7.4781 -5.0101 -5.0101 0.5632 0.5632 0.6138 0.6138 3.2870 3.2870 3.5598 3.5598 4.2767 4.2767 6.2155 6.2155 6.2165 6.2165 7.5973 7.5973 7.5984 7.5984 12.3662 12.3662 12.4129 12.4129 14.1270 14.1270 14.1993 14.1993 k = 0.5000 0.5000 0.0263 ( 2380 PWs) bands (ev): -25.7687 -25.7687 -8.6926 -8.6926 -7.6584 -7.6584 -7.4787 -7.4787 -5.0091 -5.0091 0.5630 0.5630 0.6133 0.6133 3.1578 3.1578 3.6946 3.6946 4.2808 4.2808 6.2064 6.2064 6.2079 6.2079 7.6017 7.6017 7.6028 7.6028 12.3799 12.3799 12.4263 12.4263 14.1279 14.1279 14.2046 14.2046 k = 0.5000 0.5000 0.0395 ( 2380 PWs) bands (ev): -25.7687 -25.7687 -8.6926 -8.6926 -7.6579 -7.6579 -7.4799 -7.4799 -5.0072 -5.0072 0.5626 0.5626 0.6125 0.6125 3.0298 3.0298 3.8321 3.8321 4.2878 4.2878 6.1917 6.1917 6.1938 6.1938 7.6089 7.6089 7.6099 7.6099 12.4026 12.4026 12.4486 12.4486 14.1293 14.1293 14.2134 14.2134 k = 0.5000 0.5000 0.0526 ( 2380 PWs) bands (ev): -25.7686 -25.7686 -8.6927 -8.6927 -7.6572 -7.6572 -7.4814 -7.4814 -5.0046 -5.0046 0.5620 0.5620 0.6114 0.6114 2.9038 2.9038 3.9714 3.9714 4.2974 4.2974 6.1715 6.1715 6.1746 6.1746 7.6185 7.6185 7.6196 7.6196 12.4343 12.4343 12.4797 12.4797 14.1313 14.1313 14.2257 14.2257 k = 0.5000 0.5000 0.0658 ( 2372 PWs) bands (ev): -25.7685 -25.7685 -8.6928 -8.6928 -7.6563 -7.6563 -7.4834 -7.4834 -5.0012 -5.0012 0.5614 0.5614 0.6100 0.6100 2.7799 2.7799 4.1123 4.1123 4.3098 4.3098 6.1464 6.1464 6.1506 6.1506 7.6302 7.6302 7.6313 7.6313 12.4749 12.4749 12.5194 12.5194 14.1338 14.1338 14.2415 14.2415 k = 0.5000 0.5000 0.0789 ( 2356 PWs) bands (ev): -25.7684 -25.7684 -8.6929 -8.6929 -7.6551 -7.6551 -7.4857 -7.4857 -4.9972 -4.9972 0.5606 0.5606 0.6084 0.6084 2.6583 2.6583 4.2547 4.2547 4.3247 4.3247 6.1169 6.1169 6.1225 6.1225 7.6437 7.6437 7.6448 7.6448 12.5240 12.5240 12.5677 12.5677 14.1368 14.1368 14.2608 14.2608 k = 0.5000 0.5000 0.0921 ( 2364 PWs) bands (ev): -25.7682 -25.7682 -8.6931 -8.6931 -7.6538 -7.6538 -7.4885 -7.4885 -4.9925 -4.9925 0.5596 0.5596 0.6064 0.6064 2.5391 2.5391 4.3421 4.3421 4.3983 4.3983 6.0835 6.0835 6.0907 6.0907 7.6584 7.6584 7.6596 7.6596 12.5816 12.5816 12.6242 12.6242 14.1402 14.1402 14.2835 14.2835 k = 0.5000 0.5000 0.1053 ( 2364 PWs) bands (ev): -25.7680 -25.7680 -8.6933 -8.6933 -7.6524 -7.6524 -7.4916 -7.4916 -4.9871 -4.9871 0.5585 0.5585 0.6041 0.6041 2.4224 2.4224 4.3620 4.3620 4.5430 4.5430 6.0469 6.0469 6.0559 6.0559 7.6740 7.6740 7.6753 7.6753 12.6475 12.6475 12.6889 12.6889 14.1439 14.1439 14.3096 14.3096 k = 0.5000 0.5000 0.1184 ( 2356 PWs) bands (ev): -25.7678 -25.7678 -8.6935 -8.6935 -7.6507 -7.6507 -7.4950 -7.4950 -4.9811 -4.9811 0.5572 0.5572 0.6016 0.6016 2.3083 2.3083 4.3841 4.3841 4.6887 4.6887 6.0076 6.0076 6.0185 6.0185 7.6902 7.6902 7.6916 7.6916 12.7213 12.7213 12.7615 12.7615 14.1480 14.1480 14.3391 14.3391 k = 0.5000 0.5000 0.1316 ( 2356 PWs) bands (ev): -25.7676 -25.7676 -8.6937 -8.6937 -7.6489 -7.6489 -7.4988 -7.4988 -4.9744 -4.9744 0.5559 0.5559 0.5989 0.5989 2.1968 2.1968 4.4085 4.4085 4.8353 4.8353 5.9662 5.9662 5.9790 5.9790 7.7066 7.7066 7.7081 7.7081 12.8027 12.8027 12.8416 12.8416 14.1522 14.1522 14.3719 14.3719 k = 0.5000 0.5000 0.1447 ( 2364 PWs) bands (ev): -25.7674 -25.7674 -8.6940 -8.6940 -7.6469 -7.6469 -7.5028 -7.5028 -4.9673 -4.9673 0.5544 0.5544 0.5958 0.5958 2.0881 2.0881 4.4349 4.4349 4.9825 4.9825 5.9231 5.9231 5.9381 5.9381 7.7229 7.7229 7.7246 7.7246 12.8915 12.8915 12.9290 12.9290 14.1565 14.1565 14.4080 14.4080 k = 0.5000 0.5000 0.1579 ( 2356 PWs) bands (ev): -25.7671 -25.7671 -8.6943 -8.6943 -7.6449 -7.6449 -7.5070 -7.5070 -4.9595 -4.9595 0.5528 0.5528 0.5926 0.5926 1.9822 1.9822 4.4631 4.4631 5.1302 5.1302 5.8788 5.8788 5.8960 5.8960 7.7390 7.7390 7.7408 7.7408 12.9873 12.9873 13.0234 13.0234 14.1609 14.1609 14.4473 14.4473 k = 0.5000 0.5000 0.1711 ( 2356 PWs) bands (ev): -25.7669 -25.7669 -8.6946 -8.6946 -7.6427 -7.6427 -7.5115 -7.5115 -4.9513 -4.9513 0.5511 0.5511 0.5892 0.5892 1.8793 1.8793 4.4931 4.4931 5.2782 5.2782 5.8338 5.8338 5.8533 5.8533 7.7547 7.7547 7.7566 7.7566 13.0898 13.0898 13.1244 13.1244 14.1650 14.1650 14.4898 14.4898 k = 0.5000 0.5000 0.1842 ( 2356 PWs) bands (ev): -25.7666 -25.7666 -8.6950 -8.6950 -7.6403 -7.6403 -7.5161 -7.5161 -4.9427 -4.9427 0.5493 0.5493 0.5856 0.5856 1.7794 1.7794 4.5247 4.5247 5.4262 5.4262 5.7884 5.7884 5.8103 5.8103 7.7697 7.7697 7.7718 7.7718 13.1986 13.1986 13.2317 13.2317 14.1689 14.1689 14.5352 14.5352 k = 0.5000 0.5000 0.1974 ( 2356 PWs) bands (ev): -25.7663 -25.7663 -8.6954 -8.6954 -7.6379 -7.6379 -7.5208 -7.5208 -4.9337 -4.9337 0.5474 0.5474 0.5818 0.5818 1.6826 1.6826 4.5576 4.5576 5.5741 5.5741 5.7430 5.7430 5.7673 5.7673 7.7840 7.7840 7.7862 7.7862 13.3132 13.3132 13.3449 13.3449 14.1723 14.1723 14.5836 14.5836 k = 0.5000 0.5000 0.2105 ( 2360 PWs) bands (ev): -25.7660 -25.7660 -8.6959 -8.6959 -7.6355 -7.6355 -7.5257 -7.5257 -4.9243 -4.9243 0.5454 0.5454 0.5779 0.5779 1.5889 1.5889 4.5916 4.5916 5.6979 5.6979 5.7216 5.7216 5.7246 5.7246 7.7976 7.7976 7.7999 7.7999 13.4332 13.4332 13.4635 13.4635 14.1751 14.1751 14.6348 14.6348 k = 0.5000 0.5000 0.2237 ( 2352 PWs) bands (ev): -25.7657 -25.7657 -8.6964 -8.6964 -7.6330 -7.6330 -7.5306 -7.5306 -4.9147 -4.9147 0.5434 0.5434 0.5738 0.5738 1.4986 1.4986 4.6265 4.6265 5.6534 5.6534 5.6825 5.6825 5.8684 5.8684 7.8104 7.8104 7.8128 7.8128 13.5583 13.5583 13.5871 13.5871 14.1770 14.1770 14.6886 14.6886 k = 0.5000 0.5000 0.2368 ( 2356 PWs) bands (ev): -25.7654 -25.7654 -8.6969 -8.6969 -7.6304 -7.6304 -7.5355 -7.5355 -4.9048 -4.9048 0.5413 0.5413 0.5697 0.5697 1.4116 1.4116 4.6622 4.6622 5.6097 5.6097 5.6413 5.6413 6.0143 6.0143 7.8223 7.8223 7.8248 7.8248 13.6878 13.6878 13.7153 13.7153 14.1779 14.1779 14.7450 14.7450 k = 0.5000 0.5000 0.2500 ( 2356 PWs) bands (ev): -25.7651 -25.7651 -8.6974 -8.6974 -7.6278 -7.6278 -7.5404 -7.5404 -4.8948 -4.8948 0.5392 0.5392 0.5655 0.5655 1.3280 1.3280 4.6983 4.6983 5.5671 5.5671 5.6011 5.6011 6.1588 6.1588 7.8333 7.8333 7.8359 7.8359 13.8213 13.8213 13.8476 13.8476 14.1775 14.1775 14.8036 14.8036 k = 0.5000 0.5000 0.2632 ( 2356 PWs) bands (ev): -25.7648 -25.7648 -8.6980 -8.6980 -7.6252 -7.6252 -7.5453 -7.5453 -4.8847 -4.8847 0.5371 0.5371 0.5612 0.5612 1.2480 1.2480 4.7347 4.7347 5.5258 5.5258 5.5621 5.5621 6.3016 6.3016 7.8435 7.8435 7.8462 7.8462 13.9583 13.9583 13.9832 13.9832 14.1757 14.1757 14.8642 14.8642 k = 0.5000 0.5000 0.2763 ( 2360 PWs) bands (ev): -25.7645 -25.7645 -8.6985 -8.6985 -7.6226 -7.6226 -7.5501 -7.5501 -4.8746 -4.8746 0.5349 0.5349 0.5570 0.5570 1.1716 1.1716 4.7710 4.7710 5.4860 5.4860 5.5246 5.5246 6.4423 6.4423 7.8529 7.8529 7.8556 7.8556 14.0979 14.0979 14.1213 14.1213 14.1724 14.1724 14.9263 14.9263 k = 0.5000 0.5000 0.2895 ( 2368 PWs) bands (ev): -25.7642 -25.7642 -8.6992 -8.6992 -7.6201 -7.6201 -7.5547 -7.5547 -4.8646 -4.8646 0.5328 0.5328 0.5528 0.5528 1.0990 1.0990 4.8070 4.8070 5.4478 5.4478 5.4886 5.4886 6.5805 6.5805 7.8615 7.8615 7.8642 7.8642 14.1656 14.1656 14.2396 14.2396 14.2631 14.2631 14.9892 14.9892 k = 0.5000 0.5000 0.3026 ( 2368 PWs) bands (ev): -25.7639 -25.7639 -8.6998 -8.6998 -7.6176 -7.6176 -7.5593 -7.5593 -4.8546 -4.8546 0.5307 0.5307 0.5486 0.5486 1.0302 1.0302 4.8425 4.8425 5.4115 5.4115 5.4543 5.4543 6.7157 6.7157 7.8693 7.8693 7.8720 7.8720 14.1578 14.1578 14.3824 14.3824 14.4049 14.4049 15.0500 15.0500 k = 0.5000 0.5000 0.3158 ( 2368 PWs) bands (ev): -25.7636 -25.7636 -8.7004 -8.7004 -7.6152 -7.6152 -7.5636 -7.5636 -4.8448 -4.8448 0.5286 0.5286 0.5445 0.5445 0.9653 0.9653 4.8771 4.8771 5.3771 5.3771 5.4218 5.4218 6.8472 6.8472 7.8764 7.8764 7.8790 7.8790 14.1474 14.1474 14.5253 14.5253 14.5472 14.5472 15.0804 15.0804 k = 0.5000 0.5000 0.3289 ( 2368 PWs) bands (ev): -25.7634 -25.7634 -8.7010 -8.7010 -7.6128 -7.6128 -7.5678 -7.5678 -4.8353 -4.8353 0.5266 0.5266 0.5405 0.5405 0.9044 0.9044 4.9106 4.9106 5.3449 5.3449 5.3912 5.3912 6.9746 6.9746 7.8828 7.8828 7.8853 7.8853 14.1343 14.1343 14.6670 14.6670 14.6886 14.6886 15.0181 15.0181 k = 0.5000 0.5000 0.3421 ( 2360 PWs) bands (ev): -25.7631 -25.7631 -8.7016 -8.7016 -7.6106 -7.6106 -7.5718 -7.5718 -4.8262 -4.8262 0.5246 0.5246 0.5367 0.5367 0.8476 0.8476 4.9427 4.9427 5.3149 5.3149 5.3626 5.3626 7.0973 7.0973 7.8885 7.8885 7.8910 7.8910 14.1186 14.1186 14.8059 14.8059 14.8277 14.8277 14.9392 14.9392 k = 0.5000 0.5000 0.3553 ( 2360 PWs) bands (ev): -25.7629 -25.7629 -8.7022 -8.7022 -7.6085 -7.6085 -7.5755 -7.5755 -4.8174 -4.8174 0.5227 0.5227 0.5331 0.5331 0.7949 0.7949 4.9730 4.9730 5.2874 5.2874 5.3361 5.3361 7.2144 7.2144 7.8936 7.8936 7.8960 7.8960 14.1004 14.1004 14.8627 14.8627 14.9408 14.9408 14.9626 14.9626 k = 0.5000 0.5000 0.3684 ( 2368 PWs) bands (ev): -25.7626 -25.7626 -8.7028 -8.7028 -7.6065 -7.6065 -7.5790 -7.5790 -4.8092 -4.8092 0.5209 0.5209 0.5296 0.5296 0.7465 0.7465 5.0012 5.0012 5.2624 5.2624 5.3116 5.3116 7.3253 7.3253 7.8981 7.8981 7.9004 7.9004 14.0799 14.0799 14.7920 14.7920 15.0681 15.0681 15.0912 15.0912 k = 0.5000 0.5000 0.3816 ( 2368 PWs) bands (ev): -25.7624 -25.7624 -8.7033 -8.7033 -7.6046 -7.6046 -7.5821 -7.5821 -4.8015 -4.8015 0.5193 0.5193 0.5264 0.5264 0.7025 0.7025 5.0268 5.0268 5.2403 5.2403 5.2894 5.2894 7.4293 7.4293 7.9020 7.9020 7.9043 7.9043 14.0575 14.0575 14.7269 14.7269 15.1862 15.1862 15.2110 15.2110 k = 0.5000 0.5000 0.3947 ( 2372 PWs) bands (ev): -25.7622 -25.7622 -8.7038 -8.7038 -7.6029 -7.6029 -7.5850 -7.5850 -4.7944 -4.7944 0.5177 0.5177 0.5234 0.5234 0.6628 0.6628 5.0495 5.0495 5.2214 5.2214 5.2694 5.2694 7.5254 7.5254 7.9055 7.9055 7.9076 7.9076 14.0337 14.0337 14.6679 14.6679 15.2924 15.2924 15.3193 15.3193 k = 0.5000 0.5000 0.4079 ( 2356 PWs) bands (ev): -25.7620 -25.7620 -8.7043 -8.7043 -7.6014 -7.6014 -7.5876 -7.5876 -4.7880 -4.7880 0.5164 0.5164 0.5208 0.5208 0.6277 0.6277 5.0684 5.0684 5.2062 5.2062 5.2517 5.2517 7.6128 7.6128 7.9084 7.9084 7.9105 7.9105 14.0095 14.0095 14.6154 14.6154 15.3844 15.3844 15.4138 15.4138 k = 0.5000 0.5000 0.4211 ( 2356 PWs) bands (ev): -25.7619 -25.7619 -8.7047 -8.7047 -7.6000 -7.6000 -7.5898 -7.5898 -4.7823 -4.7823 0.5152 0.5152 0.5184 0.5184 0.5971 0.5971 5.0830 5.0830 5.1952 5.1952 5.2362 5.2362 7.6908 7.6908 7.9109 7.9109 7.9129 7.9129 13.9856 13.9856 14.5694 14.5694 15.4612 15.4612 15.4927 15.4927 k = 0.5000 0.5000 0.4342 ( 2348 PWs) bands (ev): -25.7617 -25.7617 -8.7051 -8.7051 -7.5989 -7.5989 -7.5918 -7.5918 -4.7774 -4.7774 0.5141 0.5141 0.5164 0.5164 0.5711 0.5711 5.0926 5.0926 5.1889 5.1889 5.2232 5.2232 7.7584 7.7584 7.9130 7.9130 7.9149 7.9149 13.9630 13.9630 14.5303 14.5303 15.5229 15.5229 15.5555 15.5555 k = 0.5000 0.5000 0.4474 ( 2348 PWs) bands (ev): -25.7616 -25.7616 -8.7054 -8.7054 -7.5979 -7.5979 -7.5934 -7.5934 -4.7733 -4.7733 0.5132 0.5132 0.5147 0.5147 0.5498 0.5498 5.0973 5.0973 5.1871 5.1871 5.2124 5.2124 7.8150 7.8150 7.9147 7.9147 7.9166 7.9166 13.9428 13.9428 14.4980 14.4980 15.5707 15.5707 15.6020 15.6021 k = 0.5000 0.5000 0.4605 ( 2340 PWs) bands (ev): -25.7615 -25.7615 -8.7056 -8.7056 -7.5972 -7.5972 -7.5946 -7.5946 -4.7701 -4.7701 0.5126 0.5126 0.5134 0.5134 0.5331 0.5331 5.0984 5.0984 5.1883 5.1883 5.2040 5.2040 7.8597 7.8597 7.9160 7.9160 7.9178 7.9178 13.9259 13.9259 14.4728 14.4728 15.6059 15.6059 15.6322 15.6322 k = 0.5000 0.5000 0.4737 ( 2320 PWs) bands (ev): -25.7615 -25.7615 -8.7058 -8.7058 -7.5966 -7.5966 -7.5955 -7.5955 -4.7677 -4.7677 0.5121 0.5121 0.5125 0.5125 0.5212 0.5212 5.0979 5.0979 5.1906 5.1906 5.1980 5.1980 7.8922 7.8922 7.9169 7.9169 7.9187 7.9187 13.9132 13.9132 14.4547 14.4547 15.6300 15.6300 15.6459 15.6459 k = 0.5000 0.5000 0.4868 ( 2320 PWs) bands (ev): -25.7614 -25.7614 -8.7059 -8.7059 -7.5963 -7.5963 -7.5960 -7.5960 -4.7663 -4.7663 0.5118 0.5118 0.5119 0.5119 0.5141 0.5141 5.0970 5.0970 5.1925 5.1925 5.1945 5.1945 7.9117 7.9117 7.9174 7.9174 7.9193 7.9193 13.9053 13.9053 14.4439 14.4439 15.6440 15.6440 15.6486 15.6486 k = 0.5000 0.5000 0.5000 ( 2320 PWs) bands (ev): -25.7614 -25.7614 -8.7060 -8.7060 -7.5962 -7.5962 -7.5962 -7.5962 -4.7658 -4.7658 0.5117 0.5117 0.5117 0.5117 0.5117 0.5117 5.0966 5.0966 5.1933 5.1933 5.1933 5.1933 7.9176 7.9176 7.9176 7.9176 7.9202 7.9202 13.9026 13.9026 14.4403 14.4403 15.6486 15.6486 15.6486 15.6486 Writing output data file SrB6.save init_run : 0.13s CPU 0.26s WALL ( 1 calls) electrons : 60.20s CPU 61.66s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 60.20s CPU 61.66s 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 0.02s WALL ( 293 calls) cegterg : 54.22s CPU 55.27s WALL ( 438 calls) Called by sum_band: Called by *egterg: h_psi : 26.14s CPU 26.82s WALL ( 6989 calls) s_psi : 1.52s CPU 1.61s WALL ( 6989 calls) g_psi : 0.07s CPU 0.08s WALL ( 6258 calls) cdiaghg : 26.29s CPU 26.70s WALL ( 6551 calls) cegterg:over : 1.83s CPU 1.83s WALL ( 6258 calls) cegterg:upda : 1.26s CPU 1.31s WALL ( 6258 calls) cegterg:last : 0.81s CPU 0.79s WALL ( 1031 calls) cdiaghg:chol : 1.36s CPU 1.36s WALL ( 6551 calls) cdiaghg:inve : 0.63s CPU 0.67s WALL ( 6551 calls) cdiaghg:para : 1.61s CPU 1.58s WALL ( 13102 calls) Called by h_psi: h_psi:vloc : 22.09s CPU 22.66s WALL ( 6989 calls) h_psi:vnl : 3.98s CPU 4.10s WALL ( 6989 calls) add_vuspsi : 1.81s CPU 1.92s WALL ( 6989 calls) General routines calbec : 2.15s CPU 2.16s WALL ( 6989 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 20.36s CPU 21.02s WALL ( 488716 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.10s CPU 0.10s WALL ( 586 calls) Parallel routines fft_scatter : 9.90s CPU 10.21s WALL ( 488739 calls) PWSCF : 1m 8.50s CPU 1m16.46s WALL This run was terminated on: 13:49:49 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=